*HEADER    TRANSFERASE                             31-JAN-07   2OQ3              
*TITLE     SOLUTION STRUCTURE OF THE MANNITOL- SPECIFIC CRYPTIC                  
*TITLE    2 PHOSPHOTRANSFERASE ENZYME IIA CMTB FROM ESCHERICHIA COLI             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: MANNITOL-SPECIFIC CRYPTIC PHOSPHOTRANSFERASE               
*COMPND   3 ENZYME IIA COMPONENT;                                                
*COMPND   4 CHAIN: A;                                                            
*COMPND   5 SYNONYM: PTS SYSTEM MANNITOL-SPECIFIC EIIA COMPONENT, EIIA-          
*COMPND   6 MTL, EIII-MTL;                                                       
*COMPND   7 EC: 2.7.1.-;                                                         
*COMPND   8 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI;                               
*SOURCE   3 GENE: CMTB;                                                          
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   6 EXPRESSION_SYSTEM_PLASMID: PET-28A(+)                                
*KEYWDS    MANNITOL, PHOSPHOTRANSFERASE, ESCHERICHIA COLI, SOLUTION              
*KEYWDS   2 STRUCTURE                                                            
*EXPDTA    NMR, 21 STRUCTURES                                                    
*AUTHOR    C.JIN, C.YU                                                           
*REVDAT   1   25-SEP-07 2OQ3    0                                                

# 2242 atoms read from pdb file prm1.pdb.
# 23 GLU PHI:  (22 GLN C)-(23 GLU N)-(23 GLU CA)-(23 GLU C) -98.9 -38.9
 &rst     iat =   354,   356,   358,   369,
   r1 = -99.9, r2 = -98.9, r3 = -38.9, r4 = -37.9,
   rk2 =   50.0, rk3 =   50.0,    &end

# 23 GLU PSI:  (23 GLU N)-(23 GLU CA)-(23 GLU C)-(24 ALA N) -64.6  -4.6
 &rst     iat =   356,   358,   369,   371,
   r1 = -65.6, r2 = -64.6, r3 =  -4.6, r4 =  -3.6,
 &end

# 24 ALA PHI:  (23 GLU C)-(24 ALA N)-(24 ALA CA)-(24 ALA C) -95.0 -35.0
 &rst     iat =   369,   371,   373,   379,
   r1 = -96.0, r2 = -95.0, r3 = -35.0, r4 = -34.0,
 &end

# 24 ALA PSI:  (24 ALA N)-(24 ALA CA)-(24 ALA C)-(25 ILE N) -74.0 -14.0
 &rst     iat =   371,   373,   379,   381,
   r1 = -75.0, r2 = -74.0, r3 = -14.0, r4 = -13.0,
 &end

# 25 ILE PHI:  (24 ALA C)-(25 ILE N)-(25 ILE CA)-(25 ILE C) -96.9 -36.9
 &rst     iat =   379,   381,   383,   398,
   r1 = -97.9, r2 = -96.9, r3 = -36.9, r4 = -35.9,
 &end

# 25 ILE PSI:  (25 ILE N)-(25 ILE CA)-(25 ILE C)-(26 ASP N) -71.3 -11.3
 &rst     iat =   381,   383,   398,   400,
   r1 = -72.3, r2 = -71.3, r3 = -11.3, r4 = -10.3,
 &end

# 26 ASP PHI:  (25 ILE C)-(26 ASP N)-(26 ASP CA)-(26 ASP C) -96.5 -36.5
 &rst     iat =   398,   400,   402,   410,
   r1 = -97.5, r2 = -96.5, r3 = -36.5, r4 = -35.5,
 &end

# 26 ASP PSI:  (26 ASP N)-(26 ASP CA)-(26 ASP C)-(27 PHE N) -67.0  -7.0
 &rst     iat =   400,   402,   410,   412,
   r1 = -68.0, r2 = -67.0, r3 =  -7.0, r4 =  -6.0,
 &end

# 27 PHE PHI:  (26 ASP C)-(27 PHE N)-(27 PHE CA)-(27 PHE C) -92.8 -32.8
 &rst     iat =   410,   412,   414,   430,
   r1 = -93.8, r2 = -92.8, r3 = -32.8, r4 = -31.8,
 &end

# 27 PHE PSI:  (27 PHE N)-(27 PHE CA)-(27 PHE C)-(28 SER N) -71.7 -11.7
 &rst     iat =   412,   414,   430,   432,
   r1 = -72.7, r2 = -71.7, r3 = -11.7, r4 = -10.7,
 &end

# 31 SER PHI:  (30 VAL C)-(31 SER N)-(31 SER CA)-(31 SER C) -95.2 -35.2
 &rst     iat =   474,   476,   478,   485,
   r1 = -96.2, r2 = -95.2, r3 = -35.2, r4 = -34.2,
 &end

# 31 SER PSI:  (31 SER N)-(31 SER CA)-(31 SER C)-(32 LEU N) -66.7  -6.7
 &rst     iat =   476,   478,   485,   487,
   r1 = -67.7, r2 = -66.7, r3 =  -6.7, r4 =  -5.7,
 &end

# 32 LEU PHI:  (31 SER C)-(32 LEU N)-(32 LEU CA)-(32 LEU C) -94.9 -34.9
 &rst     iat =   485,   487,   489,   504,
   r1 = -95.9, r2 = -94.9, r3 = -34.9, r4 = -33.9,
 &end

# 32 LEU PSI:  (32 LEU N)-(32 LEU CA)-(32 LEU C)-(33 LEU N) -72.3 -12.3
 &rst     iat =   487,   489,   504,   506,
   r1 = -73.3, r2 = -72.3, r3 = -12.3, r4 = -11.3,
 &end

# 33 LEU PHI:  (32 LEU C)-(33 LEU N)-(33 LEU CA)-(33 LEU C) -96.1 -36.1
 &rst     iat =   504,   506,   508,   523,
   r1 = -97.1, r2 = -96.1, r3 = -36.1, r4 = -35.1,
 &end

# 33 LEU PSI:  (33 LEU N)-(33 LEU CA)-(33 LEU C)-(34 ASP N) -68.5  -8.5
 &rst     iat =   506,   508,   523,   525,
   r1 = -69.5, r2 = -68.5, r3 =  -8.5, r4 =  -7.5,
 &end

# 34 ASP PHI:  (33 LEU C)-(34 ASP N)-(34 ASP CA)-(34 ASP C) -96.9 -36.9
 &rst     iat =   523,   525,   527,   535,
   r1 = -97.9, r2 = -96.9, r3 = -36.9, r4 = -35.9,
 &end

# 34 ASP PSI:  (34 ASP N)-(34 ASP CA)-(34 ASP C)-(35 LYS N) -58.0   2.0
 &rst     iat =   525,   527,   535,   537,
   r1 = -59.0, r2 = -58.0, r3 =   2.0, r4 =   3.0,
 &end

# 40 GLU PHI:  (39 SER C)-(40 GLU N)-(40 GLU CA)-(40 GLU C) -91.5 -31.5
 &rst     iat =   622,   624,   626,   637,
   r1 = -92.5, r2 = -91.5, r3 = -31.5, r4 = -30.5,
 &end

# 40 GLU PSI:  (40 GLU N)-(40 GLU CA)-(40 GLU C)-(41 ASN N) -64.1  -4.1
 &rst     iat =   624,   626,   637,   639,
   r1 = -65.1, r2 = -64.1, r3 =  -4.1, r4 =  -3.1,
 &end

# 41 ASN PHI:  (40 GLU C)-(41 ASN N)-(41 ASN CA)-(41 ASN C) -95.4 -35.4
 &rst     iat =   637,   639,   641,   651,
   r1 = -96.4, r2 = -95.4, r3 = -35.4, r4 = -34.4,
 &end

# 41 ASN PSI:  (41 ASN N)-(41 ASN CA)-(41 ASN C)-(42 TYR N) -70.5 -10.5
 &rst     iat =   639,   641,   651,   653,
   r1 = -71.5, r2 = -70.5, r3 = -10.5, r4 =  -9.5,
 &end

# 42 TYR PHI:  (41 ASN C)-(42 TYR N)-(42 TYR CA)-(42 TYR C) -96.2 -36.2
 &rst     iat =   651,   653,   655,   672,
   r1 = -97.2, r2 = -96.2, r3 = -36.2, r4 = -35.2,
 &end

# 42 TYR PSI:  (42 TYR N)-(42 TYR CA)-(42 TYR C)-(43 ILE N) -74.7 -14.7
 &rst     iat =   653,   655,   672,   674,
   r1 = -75.7, r2 = -74.7, r3 = -14.7, r4 = -13.7,
 &end

# 43 ILE PHI:  (42 TYR C)-(43 ILE N)-(43 ILE CA)-(43 ILE C) -91.7 -31.7
 &rst     iat =   672,   674,   676,   691,
   r1 = -92.7, r2 = -91.7, r3 = -31.7, r4 = -30.7,
 &end

# 43 ILE PSI:  (43 ILE N)-(43 ILE CA)-(43 ILE C)-(44 GLN N) -74.4 -14.4
 &rst     iat =   674,   676,   691,   693,
   r1 = -75.4, r2 = -74.4, r3 = -14.4, r4 = -13.4,
 &end

# 44 GLN PHI:  (43 ILE C)-(44 GLN N)-(44 GLN CA)-(44 GLN C) -94.1 -34.1
 &rst     iat =   691,   693,   695,   708,
   r1 = -95.1, r2 = -94.1, r3 = -34.1, r4 = -33.1,
 &end

# 44 GLN PSI:  (44 GLN N)-(44 GLN CA)-(44 GLN C)-(45 ALA N) -72.1 -12.1
 &rst     iat =   693,   695,   708,   710,
   r1 = -73.1, r2 = -72.1, r3 = -12.1, r4 = -11.1,
 &end

# 45 ALA PHI:  (44 GLN C)-(45 ALA N)-(45 ALA CA)-(45 ALA C) -91.8 -31.8
 &rst     iat =   708,   710,   712,   718,
   r1 = -92.8, r2 = -91.8, r3 = -31.8, r4 = -30.8,
 &end

# 45 ALA PSI:  (45 ALA N)-(45 ALA CA)-(45 ALA C)-(46 ILE N) -72.2 -12.2
 &rst     iat =   710,   712,   718,   720,
   r1 = -73.2, r2 = -72.2, r3 = -12.2, r4 = -11.2,
 &end

# 46 ILE PHI:  (45 ALA C)-(46 ILE N)-(46 ILE CA)-(46 ILE C) -98.5 -38.5
 &rst     iat =   718,   720,   722,   737,
   r1 = -99.5, r2 = -98.5, r3 = -38.5, r4 = -37.5,
 &end

# 46 ILE PSI:  (46 ILE N)-(46 ILE CA)-(46 ILE C)-(47 LYS N) -69.1  -9.1
 &rst     iat =   720,   722,   737,   739,
   r1 = -70.1, r2 = -69.1, r3 =  -9.1, r4 =  -8.1,
 &end

# 47 LYS PHI:  (46 ILE C)-(47 LYS N)-(47 LYS CA)-(47 LYS C) -96.8 -36.8
 &rst     iat =   737,   739,   741,   759,
   r1 = -97.8, r2 = -96.8, r3 = -36.8, r4 = -35.8,
 &end

# 47 LYS PSI:  (47 LYS N)-(47 LYS CA)-(47 LYS C)-(48 ASP N) -69.3  -9.3
 &rst     iat =   739,   741,   759,   761,
   r1 = -70.3, r2 = -69.3, r3 =  -9.3, r4 =  -8.3,
 &end

# 48 ASP PHI:  (47 LYS C)-(48 ASP N)-(48 ASP CA)-(48 ASP C) -97.0 -37.0
 &rst     iat =   759,   761,   763,   771,
   r1 = -98.0, r2 = -97.0, r3 = -37.0, r4 = -36.0,
 &end

# 48 ASP PSI:  (48 ASP N)-(48 ASP CA)-(48 ASP C)-(49 SER N) -66.2  -6.2
 &rst     iat =   761,   763,   771,   773,
   r1 = -67.2, r2 = -66.2, r3 =  -6.2, r4 =  -5.2,
 &end

# 49 SER PHI:  (48 ASP C)-(49 SER N)-(49 SER CA)-(49 SER C) -95.9 -35.9
 &rst     iat =   771,   773,   775,   782,
   r1 = -96.9, r2 = -95.9, r3 = -35.9, r4 = -34.9,
 &end

# 49 SER PSI:  (49 SER N)-(49 SER CA)-(49 SER C)-(50 THR N) -69.1  -9.1
 &rst     iat =   773,   775,   782,   784,
   r1 = -70.1, r2 = -69.1, r3 =  -9.1, r4 =  -8.1,
 &end

# 50 THR PHI:  (49 SER C)-(50 THR N)-(50 THR CA)-(50 THR C) -99.8 -39.8
 &rst     iat =   782,   784,   786,   796,
   r1 = -100.8, r2 = -99.8, r3 = -39.8, r4 = -38.8,
 &end

# 50 THR PSI:  (50 THR N)-(50 THR CA)-(50 THR C)-(51 ILE N) -70.3 -10.3
 &rst     iat =   784,   786,   796,   798,
   r1 = -71.3, r2 = -70.3, r3 = -10.3, r4 =  -9.3,
 &end

# 51 ILE PHI:  (50 THR C)-(51 ILE N)-(51 ILE CA)-(51 ILE C) -96.8 -36.8
 &rst     iat =   796,   798,   800,   815,
   r1 = -97.8, r2 = -96.8, r3 = -36.8, r4 = -35.8,
 &end

# 51 ILE PSI:  (51 ILE N)-(51 ILE CA)-(51 ILE C)-(52 ASN N) -74.8 -14.8
 &rst     iat =   798,   800,   815,   817,
   r1 = -75.8, r2 = -74.8, r3 = -14.8, r4 = -13.8,
 &end

# 63 VAL PHI:  (62 GLY C)-(63 VAL N)-(63 VAL CA)-(63 VAL C) -150.2 -90.2
 &rst     iat =   975,   977,   979,   991,
   r1 = -151.2, r2 = -150.2, r3 = -90.2, r4 = -89.2,
 &end

# 63 VAL PSI:  (63 VAL N)-(63 VAL CA)-(63 VAL C)-(64 ALA N)  98.8 158.8
 &rst     iat =   977,   979,   991,   993,
   r1 =  97.8, r2 =  98.8, r3 = 158.8, r4 = 159.8,
 &end

# 64 ALA PHI:  (63 VAL C)-(64 ALA N)-(64 ALA CA)-(64 ALA C) -166.2 -106.2
 &rst     iat =   991,   993,   995,  1001,
   r1 = -167.2, r2 = -166.2, r3 = -106.2, r4 = -105.2,
 &end

# 64 ALA PSI:  (64 ALA N)-(64 ALA CA)-(64 ALA C)-(65 MET N) 106.7 166.7
 &rst     iat =   993,   995,  1001,  1003,
   r1 = 105.7, r2 = 106.7, r3 = 166.7, r4 = 167.7,
 &end

# 79 MET PHI:  (78 GLY C)-(79 MET N)-(79 MET CA)-(79 MET C) -165.9 -105.9
 &rst     iat =  1202,  1204,  1206,  1219,
   r1 = -166.9, r2 = -165.9, r3 = -105.9, r4 = -104.9,
 &end

# 79 MET PSI:  (79 MET N)-(79 MET CA)-(79 MET C)-(80 SER N) 127.4 187.4
 &rst     iat =  1204,  1206,  1219,  1221,
   r1 = 126.4, r2 = 127.4, r3 = 187.4, r4 = 188.4,
 &end

# 80 SER PHI:  (79 MET C)-(80 SER N)-(80 SER CA)-(80 SER C) -163.4 -103.4
 &rst     iat =  1219,  1221,  1223,  1230,
   r1 = -164.4, r2 = -163.4, r3 = -103.4, r4 = -102.4,
 &end

# 80 SER PSI:  (80 SER N)-(80 SER CA)-(80 SER C)-(81 LEU N) 112.9 172.9
 &rst     iat =  1221,  1223,  1230,  1232,
   r1 = 111.9, r2 = 112.9, r3 = 172.9, r4 = 173.9,
 &end

# 81 LEU PHI:  (80 SER C)-(81 LEU N)-(81 LEU CA)-(81 LEU C) -153.6 -93.6
 &rst     iat =  1230,  1232,  1234,  1249,
   r1 = -154.6, r2 = -153.6, r3 = -93.6, r4 = -92.6,
 &end

# 81 LEU PSI:  (81 LEU N)-(81 LEU CA)-(81 LEU C)-(82 THR N)  83.5 143.5
 &rst     iat =  1232,  1234,  1249,  1251,
   r1 =  82.5, r2 =  83.5, r3 = 143.5, r4 = 144.5,
 &end

# 82 THR PHI:  (81 LEU C)-(82 THR N)-(82 THR CA)-(82 THR C) -145.1 -85.1
 &rst     iat =  1249,  1251,  1253,  1263,
   r1 = -146.1, r2 = -145.1, r3 = -85.1, r4 = -84.1,
 &end

# 82 THR PSI:  (82 THR N)-(82 THR CA)-(82 THR C)-(83 LEU N)  97.4 157.4
 &rst     iat =  1251,  1253,  1263,  1265,
   r1 =  96.4, r2 =  97.4, r3 = 157.4, r4 = 158.4,
 &end

# 83 LEU PHI:  (82 THR C)-(83 LEU N)-(83 LEU CA)-(83 LEU C) -154.0 -94.0
 &rst     iat =  1263,  1265,  1267,  1282,
   r1 = -155.0, r2 = -154.0, r3 = -94.0, r4 = -93.0,
 &end

# 83 LEU PSI:  (83 LEU N)-(83 LEU CA)-(83 LEU C)-(84 LEU N) 110.4 170.4
 &rst     iat =  1265,  1267,  1282,  1284,
   r1 = 109.4, r2 = 110.4, r3 = 170.4, r4 = 171.4,
 &end

# 99 LEU PHI:  (98 LYS C)-(99 LEU N)-(99 LEU CA)-(99 LEU C) -150.4 -90.4
 &rst     iat =  1514,  1516,  1518,  1533,
   r1 = -151.4, r2 = -150.4, r3 = -90.4, r4 = -89.4,
 &end

# 99 LEU PSI:  (99 LEU N)-(99 LEU CA)-(99 LEU C)-(100 LEU N)  95.2 155.2
 &rst     iat =  1516,  1518,  1533,  1535,
   r1 =  94.2, r2 =  95.2, r3 = 155.2, r4 = 156.2,
 &end

# 100 LEU PHI:  (99 LEU C)-(100 LEU N)-(100 LEU CA)-(100 LEU C) -140.8 -80.8
 &rst     iat =  1533,  1535,  1537,  1552,
   r1 = -141.8, r2 = -140.8, r3 = -80.8, r4 = -79.8,
 &end

# 100 LEU PSI:  (100 LEU N)-(100 LEU CA)-(100 LEU C)-(101 ILE N)  90.4 150.4
 &rst     iat =  1535,  1537,  1552,  1554,
   r1 =  89.4, r2 =  90.4, r3 = 150.4, r4 = 151.4,
 &end

# 104 SER PHI:  (103 LEU C)-(104 SER N)-(104 SER CA)-(104 SER C) -142.3 -82.3
 &rst     iat =  1597,  1599,  1601,  1608,
   r1 = -143.3, r2 = -142.3, r3 = -82.3, r4 = -81.3,
 &end

# 104 SER PSI:  (104 SER N)-(104 SER CA)-(104 SER C)-(105 ALA N)  87.4 147.4
 &rst     iat =  1599,  1601,  1608,  1610,
   r1 =  86.4, r2 =  87.4, r3 = 147.4, r4 = 148.4,
 &end

# 109 ASP PHI:  (108 ALA C)-(109 ASP N)-(109 ASP CA)-(109 ASP C) -94.8 -34.8
 &rst     iat =  1650,  1652,  1654,  1662,
   r1 = -95.8, r2 = -94.8, r3 = -34.8, r4 = -33.8,
 &end

# 109 ASP PSI:  (109 ASP N)-(109 ASP CA)-(109 ASP C)-(110 SER N) -66.7  -6.7
 &rst     iat =  1652,  1654,  1662,  1664,
   r1 = -67.7, r2 = -66.7, r3 =  -6.7, r4 =  -5.7,
 &end

# 110 SER PHI:  (109 ASP C)-(110 SER N)-(110 SER CA)-(110 SER C) -95.6 -35.6
 &rst     iat =  1662,  1664,  1666,  1673,
   r1 = -96.6, r2 = -95.6, r3 = -35.6, r4 = -34.6,
 &end

# 110 SER PSI:  (110 SER N)-(110 SER CA)-(110 SER C)-(111 HIS N) -71.0 -11.0
 &rst     iat =  1664,  1666,  1673,  1675,
   r1 = -72.0, r2 = -71.0, r3 = -11.0, r4 = -10.0,
 &end

# 111 HIS PHI:  (110 SER C)-(111 HIS N)-(111 HIS CA)-(111 HIS C) -98.2 -38.2
 &rst     iat =  1673,  1675,  1677,  1690,
   r1 = -99.2, r2 = -98.2, r3 = -38.2, r4 = -37.2,
 &end

# 111 HIS PSI:  (111 HIS N)-(111 HIS CA)-(111 HIS C)-(112 ILE N) -74.4 -14.4
 &rst     iat =  1675,  1677,  1690,  1692,
   r1 = -75.4, r2 = -74.4, r3 = -14.4, r4 = -13.4,
 &end

# 112 ILE PHI:  (111 HIS C)-(112 ILE N)-(112 ILE CA)-(112 ILE C) -97.7 -37.7
 &rst     iat =  1690,  1692,  1694,  1709,
   r1 = -98.7, r2 = -97.7, r3 = -37.7, r4 = -36.7,
 &end

# 112 ILE PSI:  (112 ILE N)-(112 ILE CA)-(112 ILE C)-(113 GLY N) -67.3  -7.3
 &rst     iat =  1692,  1694,  1709,  1711,
   r1 = -68.3, r2 = -67.3, r3 =  -7.3, r4 =  -6.3,
 &end

# 113 GLY PHI:  (112 ILE C)-(113 GLY N)-(113 GLY CA)-(113 GLY C) -97.0 -37.0
 &rst     iat =  1709,  1711,  1713,  1716,
   r1 = -98.0, r2 = -97.0, r3 = -37.0, r4 = -36.0,
 &end

# 113 GLY PSI:  (113 GLY N)-(113 GLY CA)-(113 GLY C)-(114 ALA N) -67.5  -7.5
 &rst     iat =  1711,  1713,  1716,  1718,
   r1 = -68.5, r2 = -67.5, r3 =  -7.5, r4 =  -6.5,
 &end

# 114 ALA PHI:  (113 GLY C)-(114 ALA N)-(114 ALA CA)-(114 ALA C) -96.5 -36.5
 &rst     iat =  1716,  1718,  1720,  1726,
   r1 = -97.5, r2 = -96.5, r3 = -36.5, r4 = -35.5,
 &end

# 114 ALA PSI:  (114 ALA N)-(114 ALA CA)-(114 ALA C)-(115 ILE N) -70.7 -10.7
 &rst     iat =  1718,  1720,  1726,  1728,
   r1 = -71.7, r2 = -70.7, r3 = -10.7, r4 =  -9.7,
 &end

# 115 ILE PHI:  (114 ALA C)-(115 ILE N)-(115 ILE CA)-(115 ILE C) -96.0 -36.0
 &rst     iat =  1726,  1728,  1730,  1745,
   r1 = -97.0, r2 = -96.0, r3 = -36.0, r4 = -35.0,
 &end

# 115 ILE PSI:  (115 ILE N)-(115 ILE CA)-(115 ILE C)-(116 GLN N) -71.7 -11.7
 &rst     iat =  1728,  1730,  1745,  1747,
   r1 = -72.7, r2 = -71.7, r3 = -11.7, r4 = -10.7,
 &end

# 116 GLN PHI:  (115 ILE C)-(116 GLN N)-(116 GLN CA)-(116 GLN C) -96.0 -36.0
 &rst     iat =  1745,  1747,  1749,  1762,
   r1 = -97.0, r2 = -96.0, r3 = -36.0, r4 = -35.0,
 &end

# 116 GLN PSI:  (116 GLN N)-(116 GLN CA)-(116 GLN C)-(117 ALA N) -70.1 -10.1
 &rst     iat =  1747,  1749,  1762,  1764,
   r1 = -71.1, r2 = -70.1, r3 = -10.1, r4 =  -9.1,
 &end

# 117 ALA PHI:  (116 GLN C)-(117 ALA N)-(117 ALA CA)-(117 ALA C) -92.1 -32.1
 &rst     iat =  1762,  1764,  1766,  1772,
   r1 = -93.1, r2 = -92.1, r3 = -32.1, r4 = -31.1,
 &end

# 117 ALA PSI:  (117 ALA N)-(117 ALA CA)-(117 ALA C)-(118 LEU N) -72.2 -12.2
 &rst     iat =  1764,  1766,  1772,  1774,
   r1 = -73.2, r2 = -72.2, r3 = -12.2, r4 = -11.2,
 &end

# 118 LEU PHI:  (117 ALA C)-(118 LEU N)-(118 LEU CA)-(118 LEU C) -91.7 -31.6
 &rst     iat =  1772,  1774,  1776,  1791,
   r1 = -92.7, r2 = -91.7, r3 = -31.6, r4 = -30.6,
 &end

# 118 LEU PSI:  (118 LEU N)-(118 LEU CA)-(118 LEU C)-(119 SER N) -67.9  -7.9
 &rst     iat =  1774,  1776,  1791,  1793,
   r1 = -68.9, r2 = -67.9, r3 =  -7.9, r4 =  -6.9,
 &end

# 119 SER PHI:  (118 LEU C)-(119 SER N)-(119 SER CA)-(119 SER C) -96.0 -36.0
 &rst     iat =  1791,  1793,  1795,  1802,
   r1 = -97.0, r2 = -96.0, r3 = -36.0, r4 = -35.0,
 &end

# 119 SER PSI:  (119 SER N)-(119 SER CA)-(119 SER C)-(120 GLU N) -66.2  -6.2
 &rst     iat =  1793,  1795,  1802,  1804,
   r1 = -67.2, r2 = -66.2, r3 =  -6.2, r4 =  -5.2,
 &end

# 120 GLU PHI:  (119 SER C)-(120 GLU N)-(120 GLU CA)-(120 GLU C) -94.6 -34.6
 &rst     iat =  1802,  1804,  1806,  1817,
   r1 = -95.6, r2 = -94.6, r3 = -34.6, r4 = -33.6,
 &end

# 120 GLU PSI:  (120 GLU N)-(120 GLU CA)-(120 GLU C)-(121 LEU N) -65.1  -5.1
 &rst     iat =  1804,  1806,  1817,  1819,
   r1 = -66.1, r2 = -65.1, r3 =  -5.1, r4 =  -4.1,
 &end

# 125 GLU PHI:  (124 GLU C)-(125 GLU N)-(125 GLU CA)-(125 GLU C) -91.5 -31.5
 &rst     iat =  1881,  1883,  1885,  1896,
   r1 = -92.5, r2 = -91.5, r3 = -31.5, r4 = -30.5,
 &end

# 125 GLU PSI:  (125 GLU N)-(125 GLU CA)-(125 GLU C)-(126 GLU N) -59.3   0.7
 &rst     iat =  1883,  1885,  1896,  1898,
   r1 = -60.3, r2 = -59.3, r3 =   0.7, r4 =   1.7,
 &end

# 126 GLU PHI:  (125 GLU C)-(126 GLU N)-(126 GLU CA)-(126 GLU C) -92.7 -32.7
 &rst     iat =  1896,  1898,  1900,  1911,
   r1 = -93.7, r2 = -92.7, r3 = -32.7, r4 = -31.7,
 &end

# 126 GLU PSI:  (126 GLU N)-(126 GLU CA)-(126 GLU C)-(127 ILE N) -70.2 -10.2
 &rst     iat =  1898,  1900,  1911,  1913,
   r1 = -71.2, r2 = -70.2, r3 = -10.2, r4 =  -9.2,
 &end

# 127 ILE PHI:  (126 GLU C)-(127 ILE N)-(127 ILE CA)-(127 ILE C) -93.9 -33.9
 &rst     iat =  1911,  1913,  1915,  1930,
   r1 = -94.9, r2 = -93.9, r3 = -33.9, r4 = -32.9,
 &end

# 127 ILE PSI:  (127 ILE N)-(127 ILE CA)-(127 ILE C)-(128 LEU N) -71.0 -11.0
 &rst     iat =  1913,  1915,  1930,  1932,
   r1 = -72.0, r2 = -71.0, r3 = -11.0, r4 = -10.0,
 &end

# 128 LEU PHI:  (127 ILE C)-(128 LEU N)-(128 LEU CA)-(128 LEU C) -95.2 -35.2
 &rst     iat =  1930,  1932,  1934,  1949,
   r1 = -96.2, r2 = -95.2, r3 = -35.2, r4 = -34.2,
 &end

# 128 LEU PSI:  (128 LEU N)-(128 LEU CA)-(128 LEU C)-(129 GLU N) -67.1  -7.1
 &rst     iat =  1932,  1934,  1949,  1951,
   r1 = -68.1, r2 = -67.1, r3 =  -7.1, r4 =  -6.1,
 &end

# 129 GLU PHI:  (128 LEU C)-(129 GLU N)-(129 GLU CA)-(129 GLU C) -96.3 -36.3
 &rst     iat =  1949,  1951,  1953,  1964,
   r1 = -97.3, r2 = -96.3, r3 = -36.3, r4 = -35.3,
 &end

# 129 GLU PSI:  (129 GLU N)-(129 GLU CA)-(129 GLU C)-(130 GLN N) -69.8  -9.8
 &rst     iat =  1951,  1953,  1964,  1966,
   r1 = -70.8, r2 = -69.8, r3 =  -9.8, r4 =  -8.8,
 &end

# 130 GLN PHI:  (129 GLU C)-(130 GLN N)-(130 GLN CA)-(130 GLN C) -93.5 -33.5
 &rst     iat =  1964,  1966,  1968,  1981,
   r1 = -94.5, r2 = -93.5, r3 = -33.5, r4 = -32.5,
 &end

# 130 GLN PSI:  (130 GLN N)-(130 GLN CA)-(130 GLN C)-(131 LEU N) -71.8 -11.9
 &rst     iat =  1966,  1968,  1981,  1983,
   r1 = -72.8, r2 = -71.8, r3 = -11.9, r4 = -10.9,
 &end

# 131 LEU PHI:  (130 GLN C)-(131 LEU N)-(131 LEU CA)-(131 LEU C) -96.1 -36.1
 &rst     iat =  1981,  1983,  1985,  2000,
   r1 = -97.1, r2 = -96.1, r3 = -36.1, r4 = -35.1,
 &end

# 131 LEU PSI:  (131 LEU N)-(131 LEU CA)-(131 LEU C)-(132 LEU N) -69.0  -9.0
 &rst     iat =  1983,  1985,  2000,  2002,
   r1 = -70.0, r2 = -69.0, r3 =  -9.0, r4 =  -8.0,
 &end

# 137 GLU PHI:  (136 SER C)-(137 GLU N)-(137 GLU CA)-(137 GLU C) -92.8 -32.8
 &rst     iat =  2065,  2067,  2069,  2080,
   r1 = -93.8, r2 = -92.8, r3 = -32.8, r4 = -31.8,
 &end

# 137 GLU PSI:  (137 GLU N)-(137 GLU CA)-(137 GLU C)-(138 LYS N) -66.7  -6.7
 &rst     iat =  2067,  2069,  2080,  2082,
   r1 = -67.7, r2 = -66.7, r3 =  -6.7, r4 =  -5.7,
 &end

# 138 LYS PHI:  (137 GLU C)-(138 LYS N)-(138 LYS CA)-(138 LYS C) -93.9 -33.9
 &rst     iat =  2080,  2082,  2084,  2102,
   r1 = -94.9, r2 = -93.9, r3 = -33.9, r4 = -32.9,
 &end

# 138 LYS PSI:  (138 LYS N)-(138 LYS CA)-(138 LYS C)-(139 GLN N) -72.1 -12.1
 &rst     iat =  2082,  2084,  2102,  2104,
   r1 = -73.1, r2 = -72.1, r3 = -12.1, r4 = -11.1,
 &end

# 139 GLN PHI:  (138 LYS C)-(139 GLN N)-(139 GLN CA)-(139 GLN C) -95.5 -35.5
 &rst     iat =  2102,  2104,  2106,  2119,
   r1 = -96.5, r2 = -95.5, r3 = -35.5, r4 = -34.5,
 &end

# 139 GLN PSI:  (139 GLN N)-(139 GLN CA)-(139 GLN C)-(140 LEU N) -65.6  -5.6
 &rst     iat =  2104,  2106,  2119,  2121,
   r1 = -66.6, r2 = -65.6, r3 =  -5.6, r4 =  -4.6,
 &end

# 140 LEU PHI:  (139 GLN C)-(140 LEU N)-(140 LEU CA)-(140 LEU C) -93.1 -33.1
 &rst     iat =  2119,  2121,  2123,  2138,
   r1 = -94.1, r2 = -93.1, r3 = -33.1, r4 = -32.1,
 &end

# 140 LEU PSI:  (140 LEU N)-(140 LEU CA)-(140 LEU C)-(141 ALA N) -69.1  -9.1
 &rst     iat =  2121,  2123,  2138,  2140,
   r1 = -70.1, r2 = -69.1, r3 =  -9.1, r4 =  -8.1,
 &end

# 141 ALA PHI:  (140 LEU C)-(141 ALA N)-(141 ALA CA)-(141 ALA C) -95.0 -35.0
 &rst     iat =  2138,  2140,  2142,  2148,
   r1 = -96.0, r2 = -95.0, r3 = -35.0, r4 = -34.0,
 &end

# 141 ALA PSI:  (141 ALA N)-(141 ALA CA)-(141 ALA C)-(142 ASP N) -71.9 -11.9
 &rst     iat =  2140,  2142,  2148,  2150,
   r1 = -72.9, r2 = -71.9, r3 = -11.9, r4 = -10.9,
 &end

# 142 ASP PHI:  (141 ALA C)-(142 ASP N)-(142 ASP CA)-(142 ASP C) -92.6 -32.6
 &rst     iat =  2148,  2150,  2152,  2160,
   r1 = -93.6, r2 = -92.6, r3 = -32.6, r4 = -31.6,
 &end

# 142 ASP PSI:  (142 ASP N)-(142 ASP CA)-(142 ASP C)-(143 ILE N) -72.9 -12.9
 &rst     iat =  2150,  2152,  2160,  2162,
   r1 = -73.9, r2 = -72.9, r3 = -12.9, r4 = -11.9,
 &end

# 143 ILE PHI:  (142 ASP C)-(143 ILE N)-(143 ILE CA)-(143 ILE C) -95.2 -35.2
 &rst     iat =  2160,  2162,  2164,  2179,
   r1 = -96.2, r2 = -95.2, r3 = -35.2, r4 = -34.2,
 &end

# 143 ILE PSI:  (143 ILE N)-(143 ILE CA)-(143 ILE C)-(144 ILE N) -73.0 -13.0
 &rst     iat =  2162,  2164,  2179,  2181,
   r1 = -74.0, r2 = -73.0, r3 = -13.0, r4 = -12.0,
 &end

#
#   57 TYR  HB-          57 TYR  HD          3.50    (#      0:26  Unique         2.31, 3.09 A)
 &rst
  ixpk= 0, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,

      rk2=20.0, rk3=20.0, ir6=1, ialtd=1,
 igr1= 892, 893,
 igr2= 896, 905,
 &end
#
#   65 MET  ME           57 TYR  HD          5.50    (#      1:26  Unique         2.74, 5.90 A)
 &rst
  ixpk= 1, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1015,1016,1017,
 igr2= 896, 905,
 &end
#
#   57 TYR  HB+          57 TYR  HD          3.50    (#      2:26  Unique         2.31, 3.09 A)
 &rst
  ixpk= 2, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 892, 893,
 igr2= 896, 905,
 &end
#
#   57 TYR  HA           57 TYR  HD          3.50    (#      4:26  Unique         2.51, 3.41 A)
 &rst
  ixpk= 4, nxpk= 26, iat= 890,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 896, 905,
 &end
#
#   56 TYR  HD           57 TYR  HD          4.50    (#      6:26  Unique         3.25, 6.60 A)
 &rst
  ixpk= 6, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 875, 884,
 igr2= 896, 905,
 &end
#
#   56 TYR  HN           56 TYR  HD          2.80    (#     15:26  Unique         2.11, 3.83 A)
 &rst
  ixpk= 15, nxpk= 26, iat= 867,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 875, 884,
 &end
#
#   55 PRO  HA           56 TYR  HD          4.50    (#     17:26  Unique         3.36, 5.70 A)
 &rst
  ixpk= 17, nxpk= 26, iat= 863,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 875, 884,
 &end
#
#   56 TYR  HB+          56 TYR  HD          2.80    (#     18:26  Unique         2.28, 3.08 A)
 &rst
  ixpk= 18, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 871, 872,
 igr2= 875, 884,
 &end
#
#   56 TYR  HB-          56 TYR  HD          2.80    (#     19:26  Unique         2.28, 3.08 A)
 &rst
  ixpk= 19, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 871, 872,
 igr2= 875, 884,
 &end
#
#   38 ILE  QG2          42 TYR  HD          3.50    (#     20:26  Unique         2.72, 4.47 A)
 &rst
  ixpk= 20, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 601, 602, 603,
 igr2= 662, 671,
 &end
#
#    0 AMB  26-2:21      42 TYR  HD          3.50    (#     21:26  Single Ambig)
 &rst
  ixpk= 21, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 608, 609, 610, 688, 689, 690,
 igr2= 662, 671,
 &end
#
#    0 AMB  26-2:22      42 TYR  HD          3.50    (#     22:26  Single Ambig)
 &rst
  ixpk= 22, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.14, r4= 5.89,
 igr1=1137,1138,1139, 605, 606,
 igr2= 662, 671,
 &end
#
#    0 AMB  26-2:23      42 TYR  HD          2.80    (#     23:26  Single Ambig)
 &rst
  ixpk= 23, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1119,1120, 658, 659,
 igr2= 662, 671,
 &end
#
#   42 TYR  HB+          42 TYR  HD          3.50    (#     24:26  Unique         2.38, 3.06 A)
 &rst
  ixpk= 24, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 658, 659,
 igr2= 662, 671,
 &end
#
#   42 TYR  HA           42 TYR  HD          3.50    (#     25:26  Unique         2.81, 3.58 A)
 &rst
  ixpk= 25, nxpk= 26, iat= 656,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 662, 671,
 &end
#
#   41 ASN  HD2+         42 TYR  HD          4.50    (#     26:26  Unique         4.74, 6.59 A)
 &rst
  ixpk= 26, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 649, 650,
 igr2= 662, 671,
 &end
#
#   89 TYR  HN           89 TYR  HD          4.50    (#     27:26  Unique         3.27, 4.61 A)
 &rst
  ixpk= 27, nxpk= 26, iat=1359,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1367,1376,
 &end
#
#    6 TYR  HN            6 TYR  HD          3.50    (#     28:26  Unique         2.39, 3.73 A)
 &rst
  ixpk= 28, nxpk= 26, iat=  87,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  95, 104,
 &end
#
#   89 TYR  HA           89 TYR  HD          3.50    (#     32:26  Unique         2.03, 3.42 A)
 &rst
  ixpk= 32, nxpk= 26, iat=1361,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1367,1376,
 &end
#
#   78 GLY  HA+           6 TYR  HD          4.50    (#     34:26  Unique         2.73, 5.33 A)
 &rst
  ixpk= 34, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1200,1201,
 igr2=  95, 104,
 &end
#
#    3 LEU  HA            6 TYR  HD          2.80    (#     35:26  Unique         2.20, 4.74 A)
 &rst
  ixpk= 35, nxpk= 26, iat=  47,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=  95, 104,
 &end
#
#    6 TYR  HA            6 TYR  HD          3.50    (#     36:26  Unique         2.90, 3.60 A)
 &rst
  ixpk= 36, nxpk= 26, iat=  89,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  95, 104,
 &end
#
#    6 TYR  HB+           6 TYR  HD          2.80    (#     37:26  Unique         2.33, 3.08 A)
 &rst
  ixpk= 37, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=  91,  92,
 igr2=  95, 104,
 &end
#
#    6 TYR  HB-           6 TYR  HD          3.50    (#     38:26  Unique         2.33, 3.08 A)
 &rst
  ixpk= 38, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=  91,  92,
 igr2=  95, 104,
 &end
#
#    0 AMB  26-2:39       6 TYR  HD          3.50    (#     39:26  Single Ambig)
 &rst
  ixpk= 39, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=   8,   9,  49,  50,
 igr2=  95, 104,
 &end
#
#    0 AMB  26-2:40       6 TYR  HD          2.80    (#     40:26  Single Ambig)
 &rst
  ixpk= 40, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1190,1191,1192,1769,1770,1771,
 igr2=  95, 104,
 &end
#
#  103 LEU  HG            6 TYR  HD          4.50    (#     41:26  Unique         4.61, 5.81 A)
 &rst
  ixpk= 41, nxpk= 26, iat=1588,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  95, 104,
 &end
#
#    3 LEU  MDX           6 TYR  HD          3.50    (#     42:26  Unique         3.28, 6.95 A)
 &rst
  ixpk= 42, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=  54,  55,  56,  58,  59,  60,
 igr2=  95, 104,
 &end
#
#    0 AMB  26-2:43       7 PHE  HD          3.50    (#     43:26  Single Ambig)
 &rst
  ixpk= 43, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 192, 193, 194,2188,2189,2190,
 igr2= 116, 124,
 &end
#
#   81 LEU  MDX           7 PHE  HD          3.50    (#     44:26  Unique         3.09, 6.62 A)
 &rst
  ixpk= 44, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1242,1243,1244,1246,1247,1248,
 igr2= 116, 124,
 &end
#
#    0 AMB  26-2:45       7 PHE  HD          3.50    (#     45:26  Single Ambig)
 &rst
  ixpk= 45, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1=2192,2193,  54,  55,  56,  58,  59,  60,
 igr2= 116, 124,
 &end
#
#    0 AMB  26-2:46       7 PHE  HD          3.50    (#     46:26  Single Ambig)
 &rst
  ixpk= 46, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1237,1238,1209,1210,
 igr2= 116, 124,
 &end
#
#    3 LEU  HB-           7 PHE  HD          3.50    (#     47:26  Unique         2.88, 5.60 A)
 &rst
  ixpk= 47, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=  49,  50,
 igr2= 116, 124,
 &end
#
#    7 PHE  HB+           7 PHE  HD          2.80    (#     48:26  Unique         2.30, 3.09 A)
 &rst
  ixpk= 48, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 112, 113,
 igr2= 116, 124,
 &end
#
#    4 SER  HA            7 PHE  HD          3.50    (#     49:26  Unique         2.09, 4.43 A)
 &rst
  ixpk= 49, nxpk= 26, iat=  66,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 116, 124,
 &end
#
#   80 SER  HA            7 PHE  HD          3.50    (#     50:26  Unique         2.04, 4.36 A)
 &rst
  ixpk= 50, nxpk= 26, iat=1224,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 116, 124,
 &end
#
#    7 PHE  HA            7 PHE  HD          4.50    (#     51:26  Unique         2.55, 3.57 A)
 &rst
  ixpk= 51, nxpk= 26, iat= 110,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 116, 124,
 &end
#
#   15 ILE  QG2          27 PHE  HD          4.50    (#     62:26  Unique         3.89, 5.87 A)
 &rst
  ixpk= 62, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 231, 232, 233,
 igr2= 421, 429,
 &end
#
#   15 ILE  QD1          27 PHE  HD          4.50    (#     64:26  Unique         2.81, 3.91 A)
 &rst
  ixpk= 64, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 238, 239, 240,
 igr2= 421, 429,
 &end
#
#    0 AMB  26-2:65      27 PHE  HD          4.50    (#     65:26  Single Ambig)
 &rst
  ixpk= 65, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 467, 468, 469, 471, 472, 473, 467, 468, 469, 471,
       472, 473,
 igr2= 421, 429,
 &end
#
#   18 ALA  MB           27 PHE  HD          3.50    (#     66:26  Unique         2.32, 5.38 A)
 &rst
  ixpk= 66, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 276, 277, 278,
 igr2= 421, 429,
 &end
#
#   19 LYS  HB-          27 PHE  HD          4.50    (#     67:26  Unique         4.81, 7.15 A)
 &rst
  ixpk= 67, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 286, 287,
 igr2= 421, 429,
 &end
#
#   23 GLU  HG-          27 PHE  HD          4.50    (#     68:26  Unique         2.21, 4.36 A)
 &rst
  ixpk= 68, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 364, 365,
 igr2= 421, 429,
 &end
#
#    0 AMB  26-2:69      27 PHE  HD          4.50    (#     69:26  Single Ambig)
 &rst
  ixpk= 69, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 374, 437, 438,
 igr2= 421, 429,
 &end
#
#   18 ALA  HA           27 PHE  HD          3.50    (#     70:26  Unique         2.93, 5.18 A)
 &rst
  ixpk= 70, nxpk= 26, iat= 274,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 421, 429,
 &end
#
#   21 TRP  HB-          21 TRP  HD1         3.50    (#    101:26  Unique         2.54, 3.19 A)
 &rst
  ixpk= 101, nxpk= 26, iat=  -1, 324, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 320, 321,
 &end
#
#   91 PRO  HD+          21 TRP  HD1         3.50    (#    102:26  Unique         3.29, 4.40 A)
 &rst
  ixpk= 102, nxpk= 26, iat=  -1, 324, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1401,1402,
 &end
#
#   21 TRP  HB+          21 TRP  HD1         3.50    (#    103:26  Unique         2.54, 3.19 A)
 &rst
  ixpk= 103, nxpk= 26, iat=  -1, 324, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 320, 321,
 &end
#
#   20 ASP  HB+          21 TRP  HD1         4.50    (#    104:26  Unique         3.37, 4.94 A)
 &rst
  ixpk= 104, nxpk= 26, iat=  -1, 324, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 308, 309,
 &end
#
#   21 TRP  HA           21 TRP  HD1         4.50    (#    105:26  Unique         4.12, 4.25 A)
 &rst
  ixpk= 105, nxpk= 26, iat= 318, 324, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  26-2:106     21 TRP  HD1         4.50    (#    106:26  Single Ambig)
 &rst
  ixpk= 106, nxpk= 26, iat=  -1, 324, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 306,1382,
 &end
#
#   22 GLN  HN           21 TRP  HD1         4.50    (#    107:26  Unique         2.57, 4.06 A)
 &rst
  ixpk= 107, nxpk= 26, iat= 340, 324, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   21 TRP  HN           21 TRP  HD1         3.50    (#    108:26  Unique         2.18, 2.37 A)
 &rst
  ixpk= 108, nxpk= 26, iat= 316, 324, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   21 TRP  HE1          21 TRP  HD1         2.80    (#    109:26  Unique         2.53, 2.55 A)
 &rst
  ixpk= 109, nxpk= 26, iat= 326, 324, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   76 LYS  HB-          37 TYR  HD          3.50    (#    135:26  Unique         2.23, 4.17 A)
 &rst
  ixpk= 135, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1166,1167,
 igr2= 582, 591,
 &end
#
#    8 PRO  HG+          37 TYR  HD          3.50    (#    136:26  Unique         3.10, 5.22 A)
 &rst
  ixpk= 136, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 132, 133,
 igr2= 582, 591,
 &end
#
#    0 AMB  26-2:137     37 TYR  HD          3.50    (#    137:26  Single Ambig)
 &rst
  ixpk= 137, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 545, 546, 548, 549,
 igr2= 582, 591,
 &end
#
#   35 LYS  HB-          37 TYR  HD          3.50    (#    138:26  Unique         2.07, 4.75 A)
 &rst
  ixpk= 138, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 542, 543,
 igr2= 582, 591,
 &end
#
#   35 LYS  HB+          37 TYR  HD          2.80    (#    139:26  Unique         2.07, 4.75 A)
 &rst
  ixpk= 139, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 542, 543,
 igr2= 582, 591,
 &end
#
#   37 TYR  HB-          37 TYR  HD          3.50    (#    140:26  Unique         2.32, 3.08 A)
 &rst
  ixpk= 140, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 578, 579,
 igr2= 582, 591,
 &end
#
#   78 GLY  HA-          37 TYR  HD          4.50    (#    141:26  Unique         2.74, 4.90 A)
 &rst
  ixpk= 141, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1200,1201,
 igr2= 582, 591,
 &end
#
#   37 TYR  HA           37 TYR  HD          3.50    (#    142:26  Unique         3.04, 3.63 A)
 &rst
  ixpk= 142, nxpk= 26, iat= 576,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 582, 591,
 &end
#
#   78 GLY  HA+          37 TYR  HD          3.50    (#    143:26  Unique         2.74, 4.90 A)
 &rst
  ixpk= 143, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1200,1201,
 igr2= 582, 591,
 &end
#
#  105 ALA  HA           37 TYR  HD          5.50    (#    145:26  Unique         5.36, 7.62 A)
 &rst
  ixpk= 145, nxpk= 26, iat=1613,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 582, 591,
 &end
#
#   37 TYR  HN           37 TYR  HD          4.50    (#    147:26  Unique         2.55, 3.88 A)
 &rst
  ixpk= 147, nxpk= 26, iat= 574,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 582, 591,
 &end
#
#   89 TYR  HB-          89 TYR  HD          3.50    (#    191:26  Unique         2.30, 3.09 A)
 &rst
  ixpk= 191, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1363,1364,
 igr2=1367,1376,
 &end
#
#  chirality for residue 1 atoms:  CA CG HB2 HB3
 &rst iat=5,10,8,9, 
   r1=10., r2=60., r3=80., r4=130., rk2 = 150., rk3=150.,  &end
#
#  chirality for residue 1 atoms:  CB SD HG2 HG3
 &rst iat=7,13,11,12, &end
#
#  chirality for residue 1 atoms:  N C HA CB
 &rst iat=1,18,6,7, &end
#
#  chirality for residue 2 atoms:  CA CG HB2 HB3
 &rst iat=22,27,25,26, &end
#
#  chirality for residue 2 atoms:  CB CD HG2 HG3
 &rst iat=24,30,28,29, &end
#
#  chirality for residue 2 atoms:  CG NE HD2 HD3
 &rst iat=27,33,31,32, &end
#
#  chirality for residue 2 atoms:  N C HA CB
 &rst iat=20,42,23,24, &end
#
#  chirality for residue 3 atoms:  CA CG HB2 HB3
 &rst iat=46,51,49,50, &end
#
#  chirality for residue 3 atoms:  CB CD1 CD2 HG
 &rst iat=48,53,57,52, &end
#
#  chirality for residue 3 atoms:  N C HA CB
 &rst iat=44,61,47,48, &end
#
#  chirality for residue 4 atoms:  CA OG HB2 HB3
 &rst iat=65,70,68,69, &end
#
#  chirality for residue 4 atoms:  N C HA CB
 &rst iat=63,72,66,67, &end
#
#  chirality for residue 5 atoms:  CA CG HB2 HB3
 &rst iat=76,81,79,80, &end
#
#  chirality for residue 5 atoms:  N C HA CB
 &rst iat=74,84,77,78, &end
#
#  chirality for residue 6 atoms:  CA CG HB2 HB3
 &rst iat=88,93,91,92, &end
#
#  chirality for residue 6 atoms:  N C HA CB
 &rst iat=86,105,89,90, &end
#
#  chirality for residue 7 atoms:  CA CG HB2 HB3
 &rst iat=109,114,112,113, &end
#
#  chirality for residue 7 atoms:  N C HA CB
 &rst iat=107,125,110,111, &end
#
#  chirality for residue 8 atoms:  CA CG HB2 HB3
 &rst iat=137,131,135,136, &end
#
#  chirality for residue 8 atoms:  CB CD HG2 HG3
 &rst iat=134,128,132,133, &end
#
#  chirality for residue 8 atoms:  CG N HD2 HD3
 &rst iat=131,127,129,130, &end
#
#  chirality for residue 8 atoms:  N C HA CB
 &rst iat=127,139,138,134, &end
#
#  chirality for residue 9 atoms:  CA CG HB2 HB3
 &rst iat=143,148,146,147, &end
#
#  chirality for residue 9 atoms:  CB CD HG2 HG3
 &rst iat=145,151,149,150, &end
#
#  chirality for residue 9 atoms:  N C HA CB
 &rst iat=141,154,144,145, &end
#
#  chirality for residue 10 atoms:  CA OG HB2 HB3
 &rst iat=158,163,161,162, &end
#
#  chirality for residue 10 atoms:  N C HA CB
 &rst iat=156,165,159,160, &end
#
#  chirality for residue 11 atoms:  CA OG HB2 HB3
 &rst iat=169,174,172,173, &end
#
#  chirality for residue 11 atoms:  N C HA CB
 &rst iat=167,176,170,171, &end
#
#  chirality for residue 12 atoms:  CA CG2 CG1 HB
 &rst iat=180,184,188,183, &end
#
#  chirality for residue 12 atoms:  CB CD1 HG12 HG13
 &rst iat=182,191,189,190, &end
#
#  chirality for residue 12 atoms:  N C HA CB
 &rst iat=178,195,181,182, &end
#
#  chirality for residue 13 atoms:  CA OG HB2 HB3
 &rst iat=199,204,202,203, &end
#
#  chirality for residue 13 atoms:  N C HA CB
 &rst iat=197,206,200,201, &end
#
#  chirality for residue 14 atoms:  CA CG1 CG2 HB
 &rst iat=210,214,218,213, &end
#
#  chirality for residue 14 atoms:  N C HA CB
 &rst iat=208,222,211,212, &end
#
#  chirality for residue 15 atoms:  CA CG2 CG1 HB
 &rst iat=226,230,234,229, &end
#
#  chirality for residue 15 atoms:  CB CD1 HG12 HG13
 &rst iat=228,237,235,236, &end
#
#  chirality for residue 15 atoms:  N C HA CB
 &rst iat=224,241,227,228, &end
#
#  chirality for residue 16 atoms:  CA CG HB2 HB3
 &rst iat=245,250,248,249, &end
#
#  chirality for residue 16 atoms:  N C HA CB
 &rst iat=243,258,246,247, &end
#
#  chirality for residue 17 atoms:  CA OG HB2 HB3
 &rst iat=262,267,265,266, &end
#
#  chirality for residue 17 atoms:  N C HA CB
 &rst iat=260,269,263,264, &end
#
#  chirality for residue 18 atoms:  N C HA CB
 &rst iat=271,279,274,275, &end
#
#  chirality for residue 19 atoms:  CA CG HB2 HB3
 &rst iat=283,288,286,287, &end
#
#  chirality for residue 19 atoms:  CB CD HG2 HG3
 &rst iat=285,291,289,290, &end
#
#  chirality for residue 19 atoms:  CD NZ HE2 HE3
 &rst iat=291,297,295,296, &end
#
#  chirality for residue 19 atoms:  CG CE HD2 HD3
 &rst iat=288,294,292,293, &end
#
#  chirality for residue 19 atoms:  N C HA CB
 &rst iat=281,301,284,285, &end
#
#  chirality for residue 20 atoms:  CA CG HB2 HB3
 &rst iat=305,310,308,309, &end
#
#  chirality for residue 20 atoms:  N C HA CB
 &rst iat=303,313,306,307, &end
#
#  chirality for residue 21 atoms:  CA CG HB2 HB3
 &rst iat=317,322,320,321, &end
#
#  chirality for residue 21 atoms:  N C HA CB
 &rst iat=315,337,318,319, &end
#
#  chirality for residue 22 atoms:  CA CG HB2 HB3
 &rst iat=341,346,344,345, &end
#
#  chirality for residue 22 atoms:  CB CD HG2 HG3
 &rst iat=343,349,347,348, &end
#
#  chirality for residue 22 atoms:  N C HA CB
 &rst iat=339,354,342,343, &end
#
#  chirality for residue 23 atoms:  CA CG HB2 HB3
 &rst iat=358,363,361,362, &end
#
#  chirality for residue 23 atoms:  CB CD HG2 HG3
 &rst iat=360,366,364,365, &end
#
#  chirality for residue 23 atoms:  N C HA CB
 &rst iat=356,369,359,360, &end
#
#  chirality for residue 24 atoms:  N C HA CB
 &rst iat=371,379,374,375, &end
#
#  chirality for residue 25 atoms:  CA CG2 CG1 HB
 &rst iat=383,387,391,386, &end
#
#  chirality for residue 25 atoms:  CB CD1 HG12 HG13
 &rst iat=385,394,392,393, &end
#
#  chirality for residue 25 atoms:  N C HA CB
 &rst iat=381,398,384,385, &end
#
#  chirality for residue 26 atoms:  CA CG HB2 HB3
 &rst iat=402,407,405,406, &end
#
#  chirality for residue 26 atoms:  N C HA CB
 &rst iat=400,410,403,404, &end
#
#  chirality for residue 27 atoms:  CA CG HB2 HB3
 &rst iat=414,419,417,418, &end
#
#  chirality for residue 27 atoms:  N C HA CB
 &rst iat=412,430,415,416, &end
#
#  chirality for residue 28 atoms:  CA OG HB2 HB3
 &rst iat=434,439,437,438, &end
#
#  chirality for residue 28 atoms:  N C HA CB
 &rst iat=432,441,435,436, &end
#
#  chirality for residue 29 atoms:  CA CG HB2 HB3
 &rst iat=445,450,448,449, &end
#
#  chirality for residue 29 atoms:  CB SD HG2 HG3
 &rst iat=447,453,451,452, &end
#
#  chirality for residue 29 atoms:  N C HA CB
 &rst iat=443,458,446,447, &end
#
#  chirality for residue 30 atoms:  CA CG1 CG2 HB
 &rst iat=462,466,470,465, &end
#
#  chirality for residue 30 atoms:  N C HA CB
 &rst iat=460,474,463,464, &end
#
#  chirality for residue 31 atoms:  CA OG HB2 HB3
 &rst iat=478,483,481,482, &end
#
#  chirality for residue 31 atoms:  N C HA CB
 &rst iat=476,485,479,480, &end
#
#  chirality for residue 32 atoms:  CA CG HB2 HB3
 &rst iat=489,494,492,493, &end
#
#  chirality for residue 32 atoms:  CB CD1 CD2 HG
 &rst iat=491,496,500,495, &end
#
#  chirality for residue 32 atoms:  N C HA CB
 &rst iat=487,504,490,491, &end
#
#  chirality for residue 33 atoms:  CA CG HB2 HB3
 &rst iat=508,513,511,512, &end
#
#  chirality for residue 33 atoms:  CB CD1 CD2 HG
 &rst iat=510,515,519,514, &end
#
#  chirality for residue 33 atoms:  N C HA CB
 &rst iat=506,523,509,510, &end
#
#  chirality for residue 34 atoms:  CA CG HB2 HB3
 &rst iat=527,532,530,531, &end
#
#  chirality for residue 34 atoms:  N C HA CB
 &rst iat=525,535,528,529, &end
#
#  chirality for residue 35 atoms:  CA CG HB2 HB3
 &rst iat=539,544,542,543, &end
#
#  chirality for residue 35 atoms:  CB CD HG2 HG3
 &rst iat=541,547,545,546, &end
#
#  chirality for residue 35 atoms:  CD NZ HE2 HE3
 &rst iat=547,553,551,552, &end
#
#  chirality for residue 35 atoms:  CG CE HD2 HD3
 &rst iat=544,550,548,549, &end
#
#  chirality for residue 35 atoms:  N C HA CB
 &rst iat=537,557,540,541, &end
#
#  chirality for residue 36 atoms:  CA CG HB2 HB3
 &rst iat=561,566,564,565, &end
#
#  chirality for residue 36 atoms:  N C HA CB
 &rst iat=559,571,562,563, &end
#
#  chirality for residue 37 atoms:  CA CG HB2 HB3
 &rst iat=575,580,578,579, &end
#
#  chirality for residue 37 atoms:  N C HA CB
 &rst iat=573,592,576,577, &end
#
#  chirality for residue 38 atoms:  CA CG2 CG1 HB
 &rst iat=596,600,604,599, &end
#
#  chirality for residue 38 atoms:  CB CD1 HG12 HG13
 &rst iat=598,607,605,606, &end
#
#  chirality for residue 38 atoms:  N C HA CB
 &rst iat=594,611,597,598, &end
#
#  chirality for residue 39 atoms:  CA OG HB2 HB3
 &rst iat=615,620,618,619, &end
#
#  chirality for residue 39 atoms:  N C HA CB
 &rst iat=613,622,616,617, &end
#
#  chirality for residue 40 atoms:  CA CG HB2 HB3
 &rst iat=626,631,629,630, &end
#
#  chirality for residue 40 atoms:  CB CD HG2 HG3
 &rst iat=628,634,632,633, &end
#
#  chirality for residue 40 atoms:  N C HA CB
 &rst iat=624,637,627,628, &end
#
#  chirality for residue 41 atoms:  CA CG HB2 HB3
 &rst iat=641,646,644,645, &end
#
#  chirality for residue 41 atoms:  N C HA CB
 &rst iat=639,651,642,643, &end
#
#  chirality for residue 42 atoms:  CA CG HB2 HB3
 &rst iat=655,660,658,659, &end
#
#  chirality for residue 42 atoms:  N C HA CB
 &rst iat=653,672,656,657, &end
#
#  chirality for residue 43 atoms:  CA CG2 CG1 HB
 &rst iat=676,680,684,679, &end
#
#  chirality for residue 43 atoms:  CB CD1 HG12 HG13
 &rst iat=678,687,685,686, &end
#
#  chirality for residue 43 atoms:  N C HA CB
 &rst iat=674,691,677,678, &end
#
#  chirality for residue 44 atoms:  CA CG HB2 HB3
 &rst iat=695,700,698,699, &end
#
#  chirality for residue 44 atoms:  CB CD HG2 HG3
 &rst iat=697,703,701,702, &end
#
#  chirality for residue 44 atoms:  N C HA CB
 &rst iat=693,708,696,697, &end
#
#  chirality for residue 45 atoms:  N C HA CB
 &rst iat=710,718,713,714, &end
#
#  chirality for residue 46 atoms:  CA CG2 CG1 HB
 &rst iat=722,726,730,725, &end
#
#  chirality for residue 46 atoms:  CB CD1 HG12 HG13
 &rst iat=724,733,731,732, &end
#
#  chirality for residue 46 atoms:  N C HA CB
 &rst iat=720,737,723,724, &end
#
#  chirality for residue 47 atoms:  CA CG HB2 HB3
 &rst iat=741,746,744,745, &end
#
#  chirality for residue 47 atoms:  CB CD HG2 HG3
 &rst iat=743,749,747,748, &end
#
#  chirality for residue 47 atoms:  CD NZ HE2 HE3
 &rst iat=749,755,753,754, &end
#
#  chirality for residue 47 atoms:  CG CE HD2 HD3
 &rst iat=746,752,750,751, &end
#
#  chirality for residue 47 atoms:  N C HA CB
 &rst iat=739,759,742,743, &end
#
#  chirality for residue 48 atoms:  CA CG HB2 HB3
 &rst iat=763,768,766,767, &end
#
#  chirality for residue 48 atoms:  N C HA CB
 &rst iat=761,771,764,765, &end
#
#  chirality for residue 49 atoms:  CA OG HB2 HB3
 &rst iat=775,780,778,779, &end
#
#  chirality for residue 49 atoms:  N C HA CB
 &rst iat=773,782,776,777, &end
#
#  chirality for residue 50 atoms:  CA CG2 OG1 HB
 &rst iat=786,790,794,789, &end
#
#  chirality for residue 50 atoms:  N C HA CB
 &rst iat=784,796,787,788, &end
#
#  chirality for residue 51 atoms:  CA CG2 CG1 HB
 &rst iat=800,804,808,803, &end
#
#  chirality for residue 51 atoms:  CB CD1 HG12 HG13
 &rst iat=802,811,809,810, &end
#
#  chirality for residue 51 atoms:  N C HA CB
 &rst iat=798,815,801,802, &end
#
#  chirality for residue 52 atoms:  CA CG HB2 HB3
 &rst iat=819,824,822,823, &end
#
#  chirality for residue 52 atoms:  N C HA CB
 &rst iat=817,829,820,821, &end
#
#  chirality for residue 53 atoms:  CA CG HB2 HB3
 &rst iat=833,838,836,837, &end
#
#  chirality for residue 53 atoms:  N C HA CB
 &rst iat=831,843,834,835, &end
#
#  chirality for residue 54 atoms:  N C HA2 HA3
 &rst iat=845,850,848,849, &end
#
#  chirality for residue 55 atoms:  CA CG HB2 HB3
 &rst iat=862,856,860,861, &end
#
#  chirality for residue 55 atoms:  CB CD HG2 HG3
 &rst iat=859,853,857,858, &end
#
#  chirality for residue 55 atoms:  CG N HD2 HD3
 &rst iat=856,852,854,855, &end
#
#  chirality for residue 55 atoms:  N C HA CB
 &rst iat=852,864,863,859, &end
#
#  chirality for residue 56 atoms:  CA CG HB2 HB3
 &rst iat=868,873,871,872, &end
#
#  chirality for residue 56 atoms:  N C HA CB
 &rst iat=866,885,869,870, &end
#
#  chirality for residue 57 atoms:  CA CG HB2 HB3
 &rst iat=889,894,892,893, &end
#
#  chirality for residue 57 atoms:  N C HA CB
 &rst iat=887,906,890,891, &end
#
#  chirality for residue 58 atoms:  CA CG2 CG1 HB
 &rst iat=910,914,918,913, &end
#
#  chirality for residue 58 atoms:  CB CD1 HG12 HG13
 &rst iat=912,921,919,920, &end
#
#  chirality for residue 58 atoms:  N C HA CB
 &rst iat=908,925,911,912, &end
#
#  chirality for residue 59 atoms:  CA CG HB2 HB3
 &rst iat=929,934,932,933, &end
#
#  chirality for residue 59 atoms:  CB CD1 CD2 HG
 &rst iat=931,936,940,935, &end
#
#  chirality for residue 59 atoms:  N C HA CB
 &rst iat=927,944,930,931, &end
#
#  chirality for residue 60 atoms:  N C HA CB
 &rst iat=946,954,949,950, &end
#
#  chirality for residue 61 atoms:  CA CG HB2 HB3
 &rst iat=966,960,964,965, &end
#
#  chirality for residue 61 atoms:  CB CD HG2 HG3
 &rst iat=963,957,961,962, &end
#
#  chirality for residue 61 atoms:  CG N HD2 HD3
 &rst iat=960,956,958,959, &end
#
#  chirality for residue 61 atoms:  N C HA CB
 &rst iat=956,968,967,963, &end
#
#  chirality for residue 62 atoms:  N C HA2 HA3
 &rst iat=970,975,973,974, &end
#
#  chirality for residue 63 atoms:  CA CG1 CG2 HB
 &rst iat=979,983,987,982, &end
#
#  chirality for residue 63 atoms:  N C HA CB
 &rst iat=977,991,980,981, &end
#
#  chirality for residue 64 atoms:  N C HA CB
 &rst iat=993,1001,996,997, &end
#
#  chirality for residue 65 atoms:  CA CG HB2 HB3
 &rst iat=1005,1010,1008,1009, &end
#
#  chirality for residue 65 atoms:  CB SD HG2 HG3
 &rst iat=1007,1013,1011,1012, &end
#
#  chirality for residue 65 atoms:  N C HA CB
 &rst iat=1003,1018,1006,1007, &end
#
#  chirality for residue 66 atoms:  CA CG HB2 HB3
 &rst iat=1030,1024,1028,1029, &end
#
#  chirality for residue 66 atoms:  CB CD HG2 HG3
 &rst iat=1027,1021,1025,1026, &end
#
#  chirality for residue 66 atoms:  CG N HD2 HD3
 &rst iat=1024,1020,1022,1023, &end
#
#  chirality for residue 66 atoms:  N C HA CB
 &rst iat=1020,1032,1031,1027, &end
#
#  chirality for residue 67 atoms:  CA CG HB2 HB3
 &rst iat=1036,1041,1039,1040, &end
#
#  chirality for residue 67 atoms:  N C HA CB
 &rst iat=1034,1049,1037,1038, &end
#
#  chirality for residue 68 atoms:  N C HA CB
 &rst iat=1051,1059,1054,1055, &end
#
#  chirality for residue 69 atoms:  CA CG HB2 HB3
 &rst iat=1063,1068,1066,1067, &end
#
#  chirality for residue 69 atoms:  CB CD HG2 HG3
 &rst iat=1065,1071,1069,1070, &end
#
#  chirality for residue 69 atoms:  CG NE HD2 HD3
 &rst iat=1068,1074,1072,1073, &end
#
#  chirality for residue 69 atoms:  N C HA CB
 &rst iat=1061,1083,1064,1065, &end
#
#  chirality for residue 70 atoms:  CA CG HB2 HB3
 &rst iat=1095,1089,1093,1094, &end
#
#  chirality for residue 70 atoms:  CB CD HG2 HG3
 &rst iat=1092,1086,1090,1091, &end
#
#  chirality for residue 70 atoms:  CG N HD2 HD3
 &rst iat=1089,1085,1087,1088, &end
#
#  chirality for residue 70 atoms:  N C HA CB
 &rst iat=1085,1097,1096,1092, &end
#
#  chirality for residue 71 atoms:  CA CG HB2 HB3
 &rst iat=1101,1106,1104,1105, &end
#
#  chirality for residue 71 atoms:  CB CD HG2 HG3
 &rst iat=1103,1109,1107,1108, &end
#
#  chirality for residue 71 atoms:  N C HA CB
 &rst iat=1099,1112,1102,1103, &end
#
#  chirality for residue 72 atoms:  CA SG HB2 HB3
 &rst iat=1116,1121,1119,1120, &end
#
#  chirality for residue 72 atoms:  N C HA CB
 &rst iat=1114,1123,1117,1118, &end
#
#  chirality for residue 73 atoms:  N C HA2 HA3
 &rst iat=1125,1130,1128,1129, &end
#
#  chirality for residue 74 atoms:  N C HA CB
 &rst iat=1132,1140,1135,1136, &end
#
#  chirality for residue 75 atoms:  CA CG HB2 HB3
 &rst iat=1144,1149,1147,1148, &end
#
#  chirality for residue 75 atoms:  CB CD1 CD2 HG
 &rst iat=1146,1151,1155,1150, &end
#
#  chirality for residue 75 atoms:  N C HA CB
 &rst iat=1142,1159,1145,1146, &end
#
#  chirality for residue 76 atoms:  CA CG HB2 HB3
 &rst iat=1163,1168,1166,1167, &end
#
#  chirality for residue 76 atoms:  CB CD HG2 HG3
 &rst iat=1165,1171,1169,1170, &end
#
#  chirality for residue 76 atoms:  CD NZ HE2 HE3
 &rst iat=1171,1177,1175,1176, &end
#
#  chirality for residue 76 atoms:  CG CE HD2 HD3
 &rst iat=1168,1174,1172,1173, &end
#
#  chirality for residue 76 atoms:  N C HA CB
 &rst iat=1161,1181,1164,1165, &end
#
#  chirality for residue 77 atoms:  CA CG2 OG1 HB
 &rst iat=1185,1189,1193,1188, &end
#
#  chirality for residue 77 atoms:  N C HA CB
 &rst iat=1183,1195,1186,1187, &end
#
#  chirality for residue 78 atoms:  N C HA2 HA3
 &rst iat=1197,1202,1200,1201, &end
#
#  chirality for residue 79 atoms:  CA CG HB2 HB3
 &rst iat=1206,1211,1209,1210, &end
#
#  chirality for residue 79 atoms:  CB SD HG2 HG3
 &rst iat=1208,1214,1212,1213, &end
#
#  chirality for residue 79 atoms:  N C HA CB
 &rst iat=1204,1219,1207,1208, &end
#
#  chirality for residue 80 atoms:  CA OG HB2 HB3
 &rst iat=1223,1228,1226,1227, &end
#
#  chirality for residue 80 atoms:  N C HA CB
 &rst iat=1221,1230,1224,1225, &end
#
#  chirality for residue 81 atoms:  CA CG HB2 HB3
 &rst iat=1234,1239,1237,1238, &end
#
#  chirality for residue 81 atoms:  CB CD1 CD2 HG
 &rst iat=1236,1241,1245,1240, &end
#
#  chirality for residue 81 atoms:  N C HA CB
 &rst iat=1232,1249,1235,1236, &end
#
#  chirality for residue 82 atoms:  CA CG2 OG1 HB
 &rst iat=1253,1257,1261,1256, &end
#
#  chirality for residue 82 atoms:  N C HA CB
 &rst iat=1251,1263,1254,1255, &end
#
#  chirality for residue 83 atoms:  CA CG HB2 HB3
 &rst iat=1267,1272,1270,1271, &end
#
#  chirality for residue 83 atoms:  CB CD1 CD2 HG
 &rst iat=1269,1274,1278,1273, &end
#
#  chirality for residue 83 atoms:  N C HA CB
 &rst iat=1265,1282,1268,1269, &end
#
#  chirality for residue 84 atoms:  CA CG HB2 HB3
 &rst iat=1286,1291,1289,1290, &end
#
#  chirality for residue 84 atoms:  CB CD1 CD2 HG
 &rst iat=1288,1293,1297,1292, &end
#
#  chirality for residue 84 atoms:  N C HA CB
 &rst iat=1284,1301,1287,1288, &end
#
#  chirality for residue 85 atoms:  CA CG HB2 HB3
 &rst iat=1305,1310,1308,1309, &end
#
#  chirality for residue 85 atoms:  CB CD HG2 HG3
 &rst iat=1307,1313,1311,1312, &end
#
#  chirality for residue 85 atoms:  N C HA CB
 &rst iat=1303,1316,1306,1307, &end
#
#  chirality for residue 86 atoms:  CA CG HB2 HB3
 &rst iat=1320,1325,1323,1324, &end
#
#  chirality for residue 86 atoms:  CB CD HG2 HG3
 &rst iat=1322,1328,1326,1327, &end
#
#  chirality for residue 86 atoms:  N C HA CB
 &rst iat=1318,1333,1321,1322, &end
#
#  chirality for residue 87 atoms:  N C HA2 HA3
 &rst iat=1335,1340,1338,1339, &end
#
#  chirality for residue 88 atoms:  CA CG1 CG2 HB
 &rst iat=1344,1348,1352,1347, &end
#
#  chirality for residue 88 atoms:  N C HA CB
 &rst iat=1342,1356,1345,1346, &end
#
#  chirality for residue 89 atoms:  CA CG HB2 HB3
 &rst iat=1360,1365,1363,1364, &end
#
#  chirality for residue 89 atoms:  N C HA CB
 &rst iat=1358,1377,1361,1362, &end
#
#  chirality for residue 90 atoms:  CA CG HB2 HB3
 &rst iat=1381,1386,1384,1385, &end
#
#  chirality for residue 90 atoms:  N C HA CB
 &rst iat=1379,1397,1382,1383, &end
#
#  chirality for residue 91 atoms:  CA CG HB2 HB3
 &rst iat=1409,1403,1407,1408, &end
#
#  chirality for residue 91 atoms:  CB CD HG2 HG3
 &rst iat=1406,1400,1404,1405, &end
#
#  chirality for residue 91 atoms:  CG N HD2 HD3
 &rst iat=1403,1399,1401,1402, &end
#
#  chirality for residue 91 atoms:  N C HA CB
 &rst iat=1399,1411,1410,1406, &end
#
#  chirality for residue 92 atoms:  N C HA2 HA3
 &rst iat=1413,1418,1416,1417, &end
#
#  chirality for residue 93 atoms:  CA CG HB2 HB3
 &rst iat=1422,1427,1425,1426, &end
#
#  chirality for residue 93 atoms:  N C HA CB
 &rst iat=1420,1432,1423,1424, &end
#
#  chirality for residue 94 atoms:  CA CG HB2 HB3
 &rst iat=1436,1441,1439,1440, &end
#
#  chirality for residue 94 atoms:  N C HA CB
 &rst iat=1434,1444,1437,1438, &end
#
#  chirality for residue 95 atoms:  CA CG HB2 HB3
 &rst iat=1448,1453,1451,1452, &end
#
#  chirality for residue 95 atoms:  CB CD HG2 HG3
 &rst iat=1450,1456,1454,1455, &end
#
#  chirality for residue 95 atoms:  N C HA CB
 &rst iat=1446,1459,1449,1450, &end
#
#  chirality for residue 96 atoms:  CA CG HB2 HB3
 &rst iat=1471,1465,1469,1470, &end
#
#  chirality for residue 96 atoms:  CB CD HG2 HG3
 &rst iat=1468,1462,1466,1467, &end
#
#  chirality for residue 96 atoms:  CG N HD2 HD3
 &rst iat=1465,1461,1463,1464, &end
#
#  chirality for residue 96 atoms:  N C HA CB
 &rst iat=1461,1473,1472,1468, &end
#
#  chirality for residue 97 atoms:  CA CG2 CG1 HB
 &rst iat=1477,1481,1485,1480, &end
#
#  chirality for residue 97 atoms:  CB CD1 HG12 HG13
 &rst iat=1479,1488,1486,1487, &end
#
#  chirality for residue 97 atoms:  N C HA CB
 &rst iat=1475,1492,1478,1479, &end
#
#  chirality for residue 98 atoms:  CA CG HB2 HB3
 &rst iat=1496,1501,1499,1500, &end
#
#  chirality for residue 98 atoms:  CB CD HG2 HG3
 &rst iat=1498,1504,1502,1503, &end
#
#  chirality for residue 98 atoms:  CD NZ HE2 HE3
 &rst iat=1504,1510,1508,1509, &end
#
#  chirality for residue 98 atoms:  CG CE HD2 HD3
 &rst iat=1501,1507,1505,1506, &end
#
#  chirality for residue 98 atoms:  N C HA CB
 &rst iat=1494,1514,1497,1498, &end
#
#  chirality for residue 99 atoms:  CA CG HB2 HB3
 &rst iat=1518,1523,1521,1522, &end
#
#  chirality for residue 99 atoms:  CB CD1 CD2 HG
 &rst iat=1520,1525,1529,1524, &end
#
#  chirality for residue 99 atoms:  N C HA CB
 &rst iat=1516,1533,1519,1520, &end
#
#  chirality for residue 100 atoms:  CA CG HB2 HB3
 &rst iat=1537,1542,1540,1541, &end
#
#  chirality for residue 100 atoms:  CB CD1 CD2 HG
 &rst iat=1539,1544,1548,1543, &end
#
#  chirality for residue 100 atoms:  N C HA CB
 &rst iat=1535,1552,1538,1539, &end
#
#  chirality for residue 101 atoms:  CA CG2 CG1 HB
 &rst iat=1556,1560,1564,1559, &end
#
#  chirality for residue 101 atoms:  CB CD1 HG12 HG13
 &rst iat=1558,1567,1565,1566, &end
#
#  chirality for residue 101 atoms:  N C HA CB
 &rst iat=1554,1571,1557,1558, &end
#
#  chirality for residue 102 atoms:  N C HA2 HA3
 &rst iat=1573,1578,1576,1577, &end
#
#  chirality for residue 103 atoms:  CA CG HB2 HB3
 &rst iat=1582,1587,1585,1586, &end
#
#  chirality for residue 103 atoms:  CB CD1 CD2 HG
 &rst iat=1584,1589,1593,1588, &end
#
#  chirality for residue 103 atoms:  N C HA CB
 &rst iat=1580,1597,1583,1584, &end
#
#  chirality for residue 104 atoms:  CA OG HB2 HB3
 &rst iat=1601,1606,1604,1605, &end
#
#  chirality for residue 104 atoms:  N C HA CB
 &rst iat=1599,1608,1602,1603, &end
#
#  chirality for residue 105 atoms:  N C HA CB
 &rst iat=1610,1618,1613,1614, &end
#
#  chirality for residue 106 atoms:  N C HA CB
 &rst iat=1620,1628,1623,1624, &end
#
#  chirality for residue 107 atoms:  CA CG HB2 HB3
 &rst iat=1632,1637,1635,1636, &end
#
#  chirality for residue 107 atoms:  N C HA CB
 &rst iat=1630,1640,1633,1634, &end
#
#  chirality for residue 108 atoms:  N C HA CB
 &rst iat=1642,1650,1645,1646, &end
#
#  chirality for residue 109 atoms:  CA CG HB2 HB3
 &rst iat=1654,1659,1657,1658, &end
#
#  chirality for residue 109 atoms:  N C HA CB
 &rst iat=1652,1662,1655,1656, &end
#
#  chirality for residue 110 atoms:  CA OG HB2 HB3
 &rst iat=1666,1671,1669,1670, &end
#
#  chirality for residue 110 atoms:  N C HA CB
 &rst iat=1664,1673,1667,1668, &end
#
#  chirality for residue 111 atoms:  CA CG HB2 HB3
 &rst iat=1677,1682,1680,1681, &end
#
#  chirality for residue 111 atoms:  N C HA CB
 &rst iat=1675,1690,1678,1679, &end
#
#  chirality for residue 112 atoms:  CA CG2 CG1 HB
 &rst iat=1694,1698,1702,1697, &end
#
#  chirality for residue 112 atoms:  CB CD1 HG12 HG13
 &rst iat=1696,1705,1703,1704, &end
#
#  chirality for residue 112 atoms:  N C HA CB
 &rst iat=1692,1709,1695,1696, &end
#
#  chirality for residue 113 atoms:  N C HA2 HA3
 &rst iat=1711,1716,1714,1715, &end
#
#  chirality for residue 114 atoms:  N C HA CB
 &rst iat=1718,1726,1721,1722, &end
#
#  chirality for residue 115 atoms:  CA CG2 CG1 HB
 &rst iat=1730,1734,1738,1733, &end
#
#  chirality for residue 115 atoms:  CB CD1 HG12 HG13
 &rst iat=1732,1741,1739,1740, &end
#
#  chirality for residue 115 atoms:  N C HA CB
 &rst iat=1728,1745,1731,1732, &end
#
#  chirality for residue 116 atoms:  CA CG HB2 HB3
 &rst iat=1749,1754,1752,1753, &end
#
#  chirality for residue 116 atoms:  CB CD HG2 HG3
 &rst iat=1751,1757,1755,1756, &end
#
#  chirality for residue 116 atoms:  N C HA CB
 &rst iat=1747,1762,1750,1751, &end
#
#  chirality for residue 117 atoms:  N C HA CB
 &rst iat=1764,1772,1767,1768, &end
#
#  chirality for residue 118 atoms:  CA CG HB2 HB3
 &rst iat=1776,1781,1779,1780, &end
#
#  chirality for residue 118 atoms:  CB CD1 CD2 HG
 &rst iat=1778,1783,1787,1782, &end
#
#  chirality for residue 118 atoms:  N C HA CB
 &rst iat=1774,1791,1777,1778, &end
#
#  chirality for residue 119 atoms:  CA OG HB2 HB3
 &rst iat=1795,1800,1798,1799, &end
#
#  chirality for residue 119 atoms:  N C HA CB
 &rst iat=1793,1802,1796,1797, &end
#
#  chirality for residue 120 atoms:  CA CG HB2 HB3
 &rst iat=1806,1811,1809,1810, &end
#
#  chirality for residue 120 atoms:  CB CD HG2 HG3
 &rst iat=1808,1814,1812,1813, &end
#
#  chirality for residue 120 atoms:  N C HA CB
 &rst iat=1804,1817,1807,1808, &end
#
#  chirality for residue 121 atoms:  CA CG HB2 HB3
 &rst iat=1821,1826,1824,1825, &end
#
#  chirality for residue 121 atoms:  CB CD1 CD2 HG
 &rst iat=1823,1828,1832,1827, &end
#
#  chirality for residue 121 atoms:  N C HA CB
 &rst iat=1819,1836,1822,1823, &end
#
#  chirality for residue 122 atoms:  CA CG HB2 HB3
 &rst iat=1840,1845,1843,1844, &end
#
#  chirality for residue 122 atoms:  CB CD1 CD2 HG
 &rst iat=1842,1847,1851,1846, &end
#
#  chirality for residue 122 atoms:  N C HA CB
 &rst iat=1838,1855,1841,1842, &end
#
#  chirality for residue 123 atoms:  CA SG HB2 HB3
 &rst iat=1859,1864,1862,1863, &end
#
#  chirality for residue 123 atoms:  N C HA CB
 &rst iat=1857,1866,1860,1861, &end
#
#  chirality for residue 124 atoms:  CA CG HB2 HB3
 &rst iat=1870,1875,1873,1874, &end
#
#  chirality for residue 124 atoms:  CB CD HG2 HG3
 &rst iat=1872,1878,1876,1877, &end
#
#  chirality for residue 124 atoms:  N C HA CB
 &rst iat=1868,1881,1871,1872, &end
#
#  chirality for residue 125 atoms:  CA CG HB2 HB3
 &rst iat=1885,1890,1888,1889, &end
#
#  chirality for residue 125 atoms:  CB CD HG2 HG3
 &rst iat=1887,1893,1891,1892, &end
#
#  chirality for residue 125 atoms:  N C HA CB
 &rst iat=1883,1896,1886,1887, &end
#
#  chirality for residue 126 atoms:  CA CG HB2 HB3
 &rst iat=1900,1905,1903,1904, &end
#
#  chirality for residue 126 atoms:  CB CD HG2 HG3
 &rst iat=1902,1908,1906,1907, &end
#
#  chirality for residue 126 atoms:  N C HA CB
 &rst iat=1898,1911,1901,1902, &end
#
#  chirality for residue 127 atoms:  CA CG2 CG1 HB
 &rst iat=1915,1919,1923,1918, &end
#
#  chirality for residue 127 atoms:  CB CD1 HG12 HG13
 &rst iat=1917,1926,1924,1925, &end
#
#  chirality for residue 127 atoms:  N C HA CB
 &rst iat=1913,1930,1916,1917, &end
#
#  chirality for residue 128 atoms:  CA CG HB2 HB3
 &rst iat=1934,1939,1937,1938, &end
#
#  chirality for residue 128 atoms:  CB CD1 CD2 HG
 &rst iat=1936,1941,1945,1940, &end
#
#  chirality for residue 128 atoms:  N C HA CB
 &rst iat=1932,1949,1935,1936, &end
#
#  chirality for residue 129 atoms:  CA CG HB2 HB3
 &rst iat=1953,1958,1956,1957, &end
#
#  chirality for residue 129 atoms:  CB CD HG2 HG3
 &rst iat=1955,1961,1959,1960, &end
#
#  chirality for residue 129 atoms:  N C HA CB
 &rst iat=1951,1964,1954,1955, &end
#
#  chirality for residue 130 atoms:  CA CG HB2 HB3
 &rst iat=1968,1973,1971,1972, &end
#
#  chirality for residue 130 atoms:  CB CD HG2 HG3
 &rst iat=1970,1976,1974,1975, &end
#
#  chirality for residue 130 atoms:  N C HA CB
 &rst iat=1966,1981,1969,1970, &end
#
#  chirality for residue 131 atoms:  CA CG HB2 HB3
 &rst iat=1985,1990,1988,1989, &end
#
#  chirality for residue 131 atoms:  CB CD1 CD2 HG
 &rst iat=1987,1992,1996,1991, &end
#
#  chirality for residue 131 atoms:  N C HA CB
 &rst iat=1983,2000,1986,1987, &end
#
#  chirality for residue 132 atoms:  CA CG HB2 HB3
 &rst iat=2004,2009,2007,2008, &end
#
#  chirality for residue 132 atoms:  CB CD1 CD2 HG
 &rst iat=2006,2011,2015,2010, &end
#
#  chirality for residue 132 atoms:  N C HA CB
 &rst iat=2002,2019,2005,2006, &end
#
#  chirality for residue 133 atoms:  CA CG2 OG1 HB
 &rst iat=2023,2027,2031,2026, &end
#
#  chirality for residue 133 atoms:  N C HA CB
 &rst iat=2021,2033,2024,2025, &end
#
#  chirality for residue 134 atoms:  N C HA CB
 &rst iat=2035,2043,2038,2039, &end
#
#  chirality for residue 135 atoms:  CA OG HB2 HB3
 &rst iat=2047,2052,2050,2051, &end
#
#  chirality for residue 135 atoms:  N C HA CB
 &rst iat=2045,2054,2048,2049, &end
#
#  chirality for residue 136 atoms:  CA OG HB2 HB3
 &rst iat=2058,2063,2061,2062, &end
#
#  chirality for residue 136 atoms:  N C HA CB
 &rst iat=2056,2065,2059,2060, &end
#
#  chirality for residue 137 atoms:  CA CG HB2 HB3
 &rst iat=2069,2074,2072,2073, &end
#
#  chirality for residue 137 atoms:  CB CD HG2 HG3
 &rst iat=2071,2077,2075,2076, &end
#
#  chirality for residue 137 atoms:  N C HA CB
 &rst iat=2067,2080,2070,2071, &end
#
#  chirality for residue 138 atoms:  CA CG HB2 HB3
 &rst iat=2084,2089,2087,2088, &end
#
#  chirality for residue 138 atoms:  CB CD HG2 HG3
 &rst iat=2086,2092,2090,2091, &end
#
#  chirality for residue 138 atoms:  CD NZ HE2 HE3
 &rst iat=2092,2098,2096,2097, &end
#
#  chirality for residue 138 atoms:  CG CE HD2 HD3
 &rst iat=2089,2095,2093,2094, &end
#
#  chirality for residue 138 atoms:  N C HA CB
 &rst iat=2082,2102,2085,2086, &end
#
#  chirality for residue 139 atoms:  CA CG HB2 HB3
 &rst iat=2106,2111,2109,2110, &end
#
#  chirality for residue 139 atoms:  CB CD HG2 HG3
 &rst iat=2108,2114,2112,2113, &end
#
#  chirality for residue 139 atoms:  N C HA CB
 &rst iat=2104,2119,2107,2108, &end
#
#  chirality for residue 140 atoms:  CA CG HB2 HB3
 &rst iat=2123,2128,2126,2127, &end
#
#  chirality for residue 140 atoms:  CB CD1 CD2 HG
 &rst iat=2125,2130,2134,2129, &end
#
#  chirality for residue 140 atoms:  N C HA CB
 &rst iat=2121,2138,2124,2125, &end
#
#  chirality for residue 141 atoms:  N C HA CB
 &rst iat=2140,2148,2143,2144, &end
#
#  chirality for residue 142 atoms:  CA CG HB2 HB3
 &rst iat=2152,2157,2155,2156, &end
#
#  chirality for residue 142 atoms:  N C HA CB
 &rst iat=2150,2160,2153,2154, &end
#
#  chirality for residue 143 atoms:  CA CG2 CG1 HB
 &rst iat=2164,2168,2172,2167, &end
#
#  chirality for residue 143 atoms:  CB CD1 HG12 HG13
 &rst iat=2166,2175,2173,2174, &end
#
#  chirality for residue 143 atoms:  N C HA CB
 &rst iat=2162,2179,2165,2166, &end
#
#  chirality for residue 144 atoms:  CA CG2 CG1 HB
 &rst iat=2183,2187,2191,2186, &end
#
#  chirality for residue 144 atoms:  CB CD1 HG12 HG13
 &rst iat=2185,2194,2192,2193, &end
#
#  chirality for residue 144 atoms:  N C HA CB
 &rst iat=2181,2198,2184,2185, &end
#
#  chirality for residue 145 atoms:  CA OG HB2 HB3
 &rst iat=2202,2207,2205,2206, &end
#
#  chirality for residue 145 atoms:  N C HA CB
 &rst iat=2200,2209,2203,2204, &end
#
#  chirality for residue 146 atoms:  CA CG HB2 HB3
 &rst iat=2213,2218,2216,2217, &end
#
#  chirality for residue 146 atoms:  CB CD HG2 HG3
 &rst iat=2215,2221,2219,2220, &end
#
#  chirality for residue 146 atoms:  CG NE HD2 HD3
 &rst iat=2218,2224,2222,2223, &end
#
#  chirality for residue 146 atoms:  N C HA CB
 &rst iat=2211,2233,2214,2215, &end
#
#  chirality for residue 147 atoms:  N C HA2 HA3
 &rst iat=2235,2240,2238,2239, &end
#
#  trans-omega constraint for residue 2
 &rst iat=22,20,18,5, 
   r1=150., r2=170., r3=190., r4=210., rk2 = 150., rk3=150.,  &end
#
#  trans-omega constraint for residue 3
 &rst iat=46,44,42,22, &end
#
#  trans-omega constraint for residue 4
 &rst iat=65,63,61,46, &end
#
#  trans-omega constraint for residue 5
 &rst iat=76,74,72,65, &end
#
#  trans-omega constraint for residue 6
 &rst iat=88,86,84,76, &end
#
#  trans-omega constraint for residue 7
 &rst iat=109,107,105,88, &end
#
#  trans-omega constraint for residue 8
 &rst iat=137,127,125,109, &end
#
#  trans-omega constraint for residue 9
 &rst iat=143,141,139,137, &end
#
#  trans-omega constraint for residue 10
 &rst iat=158,156,154,143, &end
#
#  trans-omega constraint for residue 11
 &rst iat=169,167,165,158, &end
#
#  trans-omega constraint for residue 12
 &rst iat=180,178,176,169, &end
#
#  trans-omega constraint for residue 13
 &rst iat=199,197,195,180, &end
#
#  trans-omega constraint for residue 14
 &rst iat=210,208,206,199, &end
#
#  trans-omega constraint for residue 15
 &rst iat=226,224,222,210, &end
#
#  trans-omega constraint for residue 16
 &rst iat=245,243,241,226, &end
#
#  trans-omega constraint for residue 17
 &rst iat=262,260,258,245, &end
#
#  trans-omega constraint for residue 18
 &rst iat=273,271,269,262, &end
#
#  trans-omega constraint for residue 19
 &rst iat=283,281,279,273, &end
#
#  trans-omega constraint for residue 20
 &rst iat=305,303,301,283, &end
#
#  trans-omega constraint for residue 21
 &rst iat=317,315,313,305, &end
#
#  trans-omega constraint for residue 22
 &rst iat=341,339,337,317, &end
#
#  trans-omega constraint for residue 23
 &rst iat=358,356,354,341, &end
#
#  trans-omega constraint for residue 24
 &rst iat=373,371,369,358, &end
#
#  trans-omega constraint for residue 25
 &rst iat=383,381,379,373, &end
#
#  trans-omega constraint for residue 26
 &rst iat=402,400,398,383, &end
#
#  trans-omega constraint for residue 27
 &rst iat=414,412,410,402, &end
#
#  trans-omega constraint for residue 28
 &rst iat=434,432,430,414, &end
#
#  trans-omega constraint for residue 29
 &rst iat=445,443,441,434, &end
#
#  trans-omega constraint for residue 30
 &rst iat=462,460,458,445, &end
#
#  trans-omega constraint for residue 31
 &rst iat=478,476,474,462, &end
#
#  trans-omega constraint for residue 32
 &rst iat=489,487,485,478, &end
#
#  trans-omega constraint for residue 33
 &rst iat=508,506,504,489, &end
#
#  trans-omega constraint for residue 34
 &rst iat=527,525,523,508, &end
#
#  trans-omega constraint for residue 35
 &rst iat=539,537,535,527, &end
#
#  trans-omega constraint for residue 36
 &rst iat=561,559,557,539, &end
#
#  trans-omega constraint for residue 37
 &rst iat=575,573,571,561, &end
#
#  trans-omega constraint for residue 38
 &rst iat=596,594,592,575, &end
#
#  trans-omega constraint for residue 39
 &rst iat=615,613,611,596, &end
#
#  trans-omega constraint for residue 40
 &rst iat=626,624,622,615, &end
#
#  trans-omega constraint for residue 41
 &rst iat=641,639,637,626, &end
#
#  trans-omega constraint for residue 42
 &rst iat=655,653,651,641, &end
#
#  trans-omega constraint for residue 43
 &rst iat=676,674,672,655, &end
#
#  trans-omega constraint for residue 44
 &rst iat=695,693,691,676, &end
#
#  trans-omega constraint for residue 45
 &rst iat=712,710,708,695, &end
#
#  trans-omega constraint for residue 46
 &rst iat=722,720,718,712, &end
#
#  trans-omega constraint for residue 47
 &rst iat=741,739,737,722, &end
#
#  trans-omega constraint for residue 48
 &rst iat=763,761,759,741, &end
#
#  trans-omega constraint for residue 49
 &rst iat=775,773,771,763, &end
#
#  trans-omega constraint for residue 50
 &rst iat=786,784,782,775, &end
#
#  trans-omega constraint for residue 51
 &rst iat=800,798,796,786, &end
#
#  trans-omega constraint for residue 52
 &rst iat=819,817,815,800, &end
#
#  trans-omega constraint for residue 53
 &rst iat=833,831,829,819, &end
#
#  trans-omega constraint for residue 54
 &rst iat=847,845,843,833, &end
#
#  trans-omega constraint for residue 55
 &rst iat=862,852,850,847, &end
#
#  trans-omega constraint for residue 56
 &rst iat=868,866,864,862, &end
#
#  trans-omega constraint for residue 57
 &rst iat=889,887,885,868, &end
#
#  trans-omega constraint for residue 58
 &rst iat=910,908,906,889, &end
#
#  trans-omega constraint for residue 59
 &rst iat=929,927,925,910, &end
#
#  trans-omega constraint for residue 60
 &rst iat=948,946,944,929, &end
#
#  trans-omega constraint for residue 61
 &rst iat=966,956,954,948, &end
#
#  trans-omega constraint for residue 62
 &rst iat=972,970,968,966, &end
#
#  trans-omega constraint for residue 63
 &rst iat=979,977,975,972, &end
#
#  trans-omega constraint for residue 64
 &rst iat=995,993,991,979, &end
#
#  trans-omega constraint for residue 65
 &rst iat=1005,1003,1001,995, &end
#
#  trans-omega constraint for residue 66
 &rst iat=1030,1020,1018,1005, &end
#
#  trans-omega constraint for residue 67
 &rst iat=1036,1034,1032,1030, &end
#
#  trans-omega constraint for residue 68
 &rst iat=1053,1051,1049,1036, &end
#
#  trans-omega constraint for residue 69
 &rst iat=1063,1061,1059,1053, &end
#
#  trans-omega constraint for residue 70
 &rst iat=1095,1085,1083,1063, &end
#
#  trans-omega constraint for residue 71
 &rst iat=1101,1099,1097,1095, &end
#
#  trans-omega constraint for residue 72
 &rst iat=1116,1114,1112,1101, &end
#
#  trans-omega constraint for residue 73
 &rst iat=1127,1125,1123,1116, &end
#
#  trans-omega constraint for residue 74
 &rst iat=1134,1132,1130,1127, &end
#
#  trans-omega constraint for residue 75
 &rst iat=1144,1142,1140,1134, &end
#
#  trans-omega constraint for residue 76
 &rst iat=1163,1161,1159,1144, &end
#
#  trans-omega constraint for residue 77
 &rst iat=1185,1183,1181,1163, &end
#
#  trans-omega constraint for residue 78
 &rst iat=1199,1197,1195,1185, &end
#
#  trans-omega constraint for residue 79
 &rst iat=1206,1204,1202,1199, &end
#
#  trans-omega constraint for residue 80
 &rst iat=1223,1221,1219,1206, &end
#
#  trans-omega constraint for residue 81
 &rst iat=1234,1232,1230,1223, &end
#
#  trans-omega constraint for residue 82
 &rst iat=1253,1251,1249,1234, &end
#
#  trans-omega constraint for residue 83
 &rst iat=1267,1265,1263,1253, &end
#
#  trans-omega constraint for residue 84
 &rst iat=1286,1284,1282,1267, &end
#
#  trans-omega constraint for residue 85
 &rst iat=1305,1303,1301,1286, &end
#
#  trans-omega constraint for residue 86
 &rst iat=1320,1318,1316,1305, &end
#
#  trans-omega constraint for residue 87
 &rst iat=1337,1335,1333,1320, &end
#
#  trans-omega constraint for residue 88
 &rst iat=1344,1342,1340,1337, &end
#
#  trans-omega constraint for residue 89
 &rst iat=1360,1358,1356,1344, &end
#
#  trans-omega constraint for residue 90
 &rst iat=1381,1379,1377,1360, &end
#
#  trans-omega constraint for residue 91
 &rst iat=1409,1399,1397,1381, &end
#
#  trans-omega constraint for residue 92
 &rst iat=1415,1413,1411,1409, &end
#
#  trans-omega constraint for residue 93
 &rst iat=1422,1420,1418,1415, &end
#
#  trans-omega constraint for residue 94
 &rst iat=1436,1434,1432,1422, &end
#
#  trans-omega constraint for residue 95
 &rst iat=1448,1446,1444,1436, &end
#
#  trans-omega constraint for residue 96
 &rst iat=1471,1461,1459,1448, &end
#
#  trans-omega constraint for residue 97
 &rst iat=1477,1475,1473,1471, &end
#
#  trans-omega constraint for residue 98
 &rst iat=1496,1494,1492,1477, &end
#
#  trans-omega constraint for residue 99
 &rst iat=1518,1516,1514,1496, &end
#
#  trans-omega constraint for residue 100
 &rst iat=1537,1535,1533,1518, &end
#
#  trans-omega constraint for residue 101
 &rst iat=1556,1554,1552,1537, &end
#
#  trans-omega constraint for residue 102
 &rst iat=1575,1573,1571,1556, &end
#
#  trans-omega constraint for residue 103
 &rst iat=1582,1580,1578,1575, &end
#
#  trans-omega constraint for residue 104
 &rst iat=1601,1599,1597,1582, &end
#
#  trans-omega constraint for residue 105
 &rst iat=1612,1610,1608,1601, &end
#
#  trans-omega constraint for residue 106
 &rst iat=1622,1620,1618,1612, &end
#
#  trans-omega constraint for residue 107
 &rst iat=1632,1630,1628,1622, &end
#
#  trans-omega constraint for residue 108
 &rst iat=1644,1642,1640,1632, &end
#
#  trans-omega constraint for residue 109
 &rst iat=1654,1652,1650,1644, &end
#
#  trans-omega constraint for residue 110
 &rst iat=1666,1664,1662,1654, &end
#
#  trans-omega constraint for residue 111
 &rst iat=1677,1675,1673,1666, &end
#
#  trans-omega constraint for residue 112
 &rst iat=1694,1692,1690,1677, &end
#
#  trans-omega constraint for residue 113
 &rst iat=1713,1711,1709,1694, &end
#
#  trans-omega constraint for residue 114
 &rst iat=1720,1718,1716,1713, &end
#
#  trans-omega constraint for residue 115
 &rst iat=1730,1728,1726,1720, &end
#
#  trans-omega constraint for residue 116
 &rst iat=1749,1747,1745,1730, &end
#
#  trans-omega constraint for residue 117
 &rst iat=1766,1764,1762,1749, &end
#
#  trans-omega constraint for residue 118
 &rst iat=1776,1774,1772,1766, &end
#
#  trans-omega constraint for residue 119
 &rst iat=1795,1793,1791,1776, &end
#
#  trans-omega constraint for residue 120
 &rst iat=1806,1804,1802,1795, &end
#
#  trans-omega constraint for residue 121
 &rst iat=1821,1819,1817,1806, &end
#
#  trans-omega constraint for residue 122
 &rst iat=1840,1838,1836,1821, &end
#
#  trans-omega constraint for residue 123
 &rst iat=1859,1857,1855,1840, &end
#
#  trans-omega constraint for residue 124
 &rst iat=1870,1868,1866,1859, &end
#
#  trans-omega constraint for residue 125
 &rst iat=1885,1883,1881,1870, &end
#
#  trans-omega constraint for residue 126
 &rst iat=1900,1898,1896,1885, &end
#
#  trans-omega constraint for residue 127
 &rst iat=1915,1913,1911,1900, &end
#
#  trans-omega constraint for residue 128
 &rst iat=1934,1932,1930,1915, &end
#
#  trans-omega constraint for residue 129
 &rst iat=1953,1951,1949,1934, &end
#
#  trans-omega constraint for residue 130
 &rst iat=1968,1966,1964,1953, &end
#
#  trans-omega constraint for residue 131
 &rst iat=1985,1983,1981,1968, &end
#
#  trans-omega constraint for residue 132
 &rst iat=2004,2002,2000,1985, &end
#
#  trans-omega constraint for residue 133
 &rst iat=2023,2021,2019,2004, &end
#
#  trans-omega constraint for residue 134
 &rst iat=2037,2035,2033,2023, &end
#
#  trans-omega constraint for residue 135
 &rst iat=2047,2045,2043,2037, &end
#
#  trans-omega constraint for residue 136
 &rst iat=2058,2056,2054,2047, &end
#
#  trans-omega constraint for residue 137
 &rst iat=2069,2067,2065,2058, &end
#
#  trans-omega constraint for residue 138
 &rst iat=2084,2082,2080,2069, &end
#
#  trans-omega constraint for residue 139
 &rst iat=2106,2104,2102,2084, &end
#
#  trans-omega constraint for residue 140
 &rst iat=2123,2121,2119,2106, &end
#
#  trans-omega constraint for residue 141
 &rst iat=2142,2140,2138,2123, &end
#
#  trans-omega constraint for residue 142
 &rst iat=2152,2150,2148,2142, &end
#
#  trans-omega constraint for residue 143
 &rst iat=2164,2162,2160,2152, &end
#
#  trans-omega constraint for residue 144
 &rst iat=2183,2181,2179,2164, &end
#
#  trans-omega constraint for residue 145
 &rst iat=2202,2200,2198,2183, &end
#
#  trans-omega constraint for residue 146
 &rst iat=2213,2211,2209,2202, &end
#
#  trans-omega constraint for residue 147
 &rst iat=2237,2235,2233,2213, &end
#
#   32 LEU  MDY          32 LEU  HA          2.80    (#      0:25  Unique         2.09, 3.83 A)
 &rst
  ixpk= 0, nxpk= 25, iat=  -1, 490, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,

      rk2=20.0, rk3=20.0, ir6=1, ialtd=1,
 igr1= 497, 498, 499, 501, 502, 503,
 &end
#
#    1 MET  HB+           1 MET  HA          2.80    (#      1:25  Unique         2.34, 2.83 A)
 &rst
  ixpk= 1, nxpk= 25, iat=  -1,   6, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=   8,   9,
 &end
#
#    1 MET  HB-           1 MET  HA          2.80    (#      2:25  Unique         2.34, 2.83 A)
 &rst
  ixpk= 2, nxpk= 25, iat=  -1,   6, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=   8,   9,
 &end
#
#    2 ARG  HN            1 MET  HA          2.80    (#      3:25  Unique         2.20, 2.36 A)
 &rst
  ixpk= 3, nxpk= 25, iat=  21,   6, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    1 MET  HG+           1 MET  HB-         2.80    (#      6:25  Unique         2.26, 2.59 A)
 &rst
  ixpk= 6, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=  11,  12,
 igr2=   8,   9,
 &end
#
#    1 MET  HG+           1 MET  HB+         2.80    (#      7:25  Unique         2.26, 2.59 A)
 &rst
  ixpk= 7, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=  11,  12,
 igr2=   8,   9,
 &end
#
#    5 ASP  HB+           1 MET  HB-         4.50    (#      8:25  Unique         3.60, 5.68 A)
 &rst
  ixpk= 8, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=  79,  80,
 igr2=   8,   9,
 &end
#
#    5 ASP  HB+           1 MET  HB+         4.50    (#      9:25  Unique         3.60, 5.68 A)
 &rst
  ixpk= 9, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=  79,  80,
 igr2=   8,   9,
 &end
#
#    1 MET  HA            1 MET  HB-         3.50    (#     10:25  Unique         2.34, 2.83 A)
 &rst
  ixpk= 10, nxpk= 25, iat=   6,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=   8,   9,
 &end
#
#    1 MET  HA            1 MET  HB+         3.50    (#     11:25  Unique         2.34, 2.83 A)
 &rst
  ixpk= 11, nxpk= 25, iat=   6,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=   8,   9,
 &end
#
#    2 ARG  HA            1 MET  HB-         4.50    (#     12:25  Unique         4.56, 5.33 A)
 &rst
  ixpk= 12, nxpk= 25, iat=  23,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=   8,   9,
 &end
#
#    2 ARG  HA            1 MET  HB+         5.50    (#     13:25  Unique         4.56, 5.33 A)
 &rst
  ixpk= 13, nxpk= 25, iat=  23,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=   8,   9,
 &end
#
#    2 ARG  HN            1 MET  HB+         3.50    (#     18:25  Unique         2.50, 3.77 A)
 &rst
  ixpk= 18, nxpk= 25, iat=  21,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=   8,   9,
 &end
#
#    1 MET  HB+           1 MET  HG+         2.80    (#     19:25  Unique         2.26, 2.59 A)
 &rst
  ixpk= 19, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=   8,   9,
 igr2=  11,  12,
 &end
#
#    1 MET  HB-           1 MET  HG+         2.80    (#     20:25  Unique         2.26, 2.59 A)
 &rst
  ixpk= 20, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=   8,   9,
 igr2=  11,  12,
 &end
#
#    1 MET  HA            1 MET  HG+         3.50    (#     21:25  Unique         2.31, 3.22 A)
 &rst
  ixpk= 21, nxpk= 25, iat=   6,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  11,  12,
 &end
#
#   65 MET  HA           65 MET  HG-         4.50    (#     22:25  Unique         2.44, 2.84 A)
 &rst
  ixpk= 22, nxpk= 25, iat=1006,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1011,1012,
 &end
#
#   65 MET  HA           65 MET  HG+         4.50    (#     23:25  Unique         2.44, 2.84 A)
 &rst
  ixpk= 23, nxpk= 25, iat=1006,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1011,1012,
 &end
#
#    0 AMB  25-2:24      35 LYS  HA          2.80    (#     24:25  Single Ambig)
 &rst
  ixpk= 24, nxpk= 25, iat=  -1, 540, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 545, 546, 548, 549,
 &end
#
#    0 AMB  25-2:25       0 AMB  25-1:25     2.80    (#     25:25  Double Ambig)
 &rst
  ixpk= 25, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 542, 543,  28,  29,  25,  26, 548, 549,
 igr2= 540,  23,
 &end
#
#    2 ARG  HB-           2 ARG  HA          2.80    (#     26:25  Unique         2.54, 2.83 A)
 &rst
  ixpk= 26, nxpk= 25, iat=  -1,  23, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=  25,  26,
 &end
#
#  124 GLU  HB+         124 GLU  HA          2.80    (#     27:25  Unique         2.53, 2.80 A)
 &rst
  ixpk= 27, nxpk= 25, iat=  -1,1871, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1873,1874,
 &end
#
#    0 AMB  25-2:29       0 AMB  25-1:29     4.50    (#     29:25  Double Ambig)
 &rst
  ixpk= 29, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1072,1073,  31,  32,
 igr2=1064,  23,
 &end
#
#  125 GLU  HN          124 GLU  HA          2.80    (#     33:25  Unique         2.04, 2.11 A)
 &rst
  ixpk= 33, nxpk= 25, iat=1884,1871, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    3 LEU  HN            2 ARG  HA          2.80    (#     34:25  Unique         2.05, 2.15 A)
 &rst
  ixpk= 34, nxpk= 25, iat=  45,  23, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    2 ARG  HN            2 ARG  HA          3.50    (#     35:25  Unique         2.86, 2.91 A)
 &rst
  ixpk= 35, nxpk= 25, iat=  21,  23, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  124 GLU  HN          124 GLU  HA          3.50    (#     36:25  Unique         2.94, 2.95 A)
 &rst
  ixpk= 36, nxpk= 25, iat=1869,1871, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   35 LYS  HN           35 LYS  HA          3.50    (#     37:25  Unique         2.98, 3.00 A)
 &rst
  ixpk= 37, nxpk= 25, iat= 538, 540, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:38      35 LYS  HA          4.50    (#     38:25  Single Ambig)
 &rst
  ixpk= 38, nxpk= 25, iat=  -1, 540, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 569, 570, 582, 591,
 &end
#
#    2 ARG  HD+           2 ARG  HB-         2.80    (#     39:25  Unique         2.40, 3.34 A)
 &rst
  ixpk= 39, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=  31,  32,
 igr2=  25,  26,
 &end
#
#    2 ARG  HD+           2 ARG  HB+         3.50    (#     40:25  Unique         2.40, 3.34 A)
 &rst
  ixpk= 40, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=  31,  32,
 igr2=  25,  26,
 &end
#
#    2 ARG  HA            2 ARG  HB-         2.80    (#     41:25  Unique         2.54, 2.83 A)
 &rst
  ixpk= 41, nxpk= 25, iat=  23,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=  25,  26,
 &end
#
#    2 ARG  HA            2 ARG  HB+         3.50    (#     42:25  Unique         2.54, 2.83 A)
 &rst
  ixpk= 42, nxpk= 25, iat=  23,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  25,  26,
 &end
#
#    5 ASP  HN            2 ARG  HB-         4.50    (#     43:25  Unique         2.68, 3.41 A)
 &rst
  ixpk= 43, nxpk= 25, iat=  75,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  25,  26,
 &end
#
#    2 ARG  HN            2 ARG  HB-         3.50    (#     44:25  Unique         2.18, 2.94 A)
 &rst
  ixpk= 44, nxpk= 25, iat=  21,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  25,  26,
 &end
#
#    3 LEU  HN            2 ARG  HB-         4.50    (#     45:25  Unique         3.44, 4.10 A)
 &rst
  ixpk= 45, nxpk= 25, iat=  45,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  25,  26,
 &end
#
#    3 LEU  HN            2 ARG  HB+         4.50    (#     46:25  Unique         3.44, 4.10 A)
 &rst
  ixpk= 46, nxpk= 25, iat=  45,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  25,  26,
 &end
#
#    2 ARG  HN            2 ARG  HB+         3.50    (#     47:25  Unique         2.18, 2.94 A)
 &rst
  ixpk= 47, nxpk= 25, iat=  21,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  25,  26,
 &end
#
#    3 LEU  HN            2 ARG  HG+         4.50    (#     48:25  Unique         4.06, 4.93 A)
 &rst
  ixpk= 48, nxpk= 25, iat=  45,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  28,  29,
 &end
#
#    2 ARG  HN            2 ARG  HG+         3.50    (#     49:25  Unique         2.66, 3.97 A)
 &rst
  ixpk= 49, nxpk= 25, iat=  21,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  28,  29,
 &end
#
#    2 ARG  HA            2 ARG  HG+         2.80    (#     50:25  Unique         2.30, 3.08 A)
 &rst
  ixpk= 50, nxpk= 25, iat=  23,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=  28,  29,
 &end
#
#    2 ARG  HB-           2 ARG  HD+         2.80    (#     51:25  Unique         2.40, 3.34 A)
 &rst
  ixpk= 51, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=  25,  26,
 igr2=  31,  32,
 &end
#
#    0 AMB  25-2:52       0 AMB  25-1:52     2.80    (#     52:25  Double Ambig)
 &rst
  ixpk= 52, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=  28,  29,  25,  26,
 igr2=  31,  32,  31,  32,
 &end
#
#    0 AMB  25-2:53       0 AMB  25-1:53     3.50    (#     53:25  Double Ambig)
 &rst
  ixpk= 53, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1064,  23,
 igr2=1072,1073,  31,  32,
 &end
#
#    5 ASP  HN            2 ARG  HD+         5.50    (#     56:25  Unique         5.72, 6.25 A)
 &rst
  ixpk= 56, nxpk= 25, iat=  75,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  31,  32,
 &end
#
#    2 ARG  HN            2 ARG  HD+         4.50    (#     57:25  Unique         2.36, 2.82 A)
 &rst
  ixpk= 57, nxpk= 25, iat=  21,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  31,  32,
 &end
#
#    3 LEU  HN            2 ARG  HD+         5.50    (#     58:25  Unique         4.30, 5.53 A)
 &rst
  ixpk= 58, nxpk= 25, iat=  45,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  31,  32,
 &end
#
#    3 LEU  HN            3 LEU  HA          3.50    (#     59:25  Unique         2.72, 2.79 A)
 &rst
  ixpk= 59, nxpk= 25, iat=  45,  47, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    6 TYR  HD            3 LEU  HA          3.50    (#     61:25  Unique         2.20, 4.74 A)
 &rst
  ixpk= 61, nxpk= 25, iat=  -1,  47, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=  95, 104,
 &end
#
#    3 LEU  HB+           3 LEU  HA          2.80    (#     64:25  Unique         2.47, 2.84 A)
 &rst
  ixpk= 64, nxpk= 25, iat=  -1,  47, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=  49,  50,
 &end
#
#    3 LEU  HB-           3 LEU  HA          2.80    (#     65:25  Unique         2.47, 2.84 A)
 &rst
  ixpk= 65, nxpk= 25, iat=  -1,  47, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=  49,  50,
 &end
#
#  117 ALA  MB            3 LEU  HA          3.50    (#     66:25  Unique         2.38, 3.66 A)
 &rst
  ixpk= 66, nxpk= 25, iat=  -1,  47, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1769,1770,1771,
 &end
#
#    3 LEU  HG            3 LEU  HB-         2.80    (#     68:25  Unique         2.31, 2.45 A)
 &rst
  ixpk= 68, nxpk= 25, iat=  52,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=  49,  50,
 &end
#
#    3 LEU  HA            3 LEU  HB+         3.50    (#     69:25  Unique         2.47, 2.84 A)
 &rst
  ixpk= 69, nxpk= 25, iat=  47,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  49,  50,
 &end
#
#    3 LEU  HA            3 LEU  HB-         3.50    (#     70:25  Unique         2.47, 2.84 A)
 &rst
  ixpk= 70, nxpk= 25, iat=  47,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  49,  50,
 &end
#
#    2 ARG  HA            3 LEU  HB+         5.50    (#     71:25  Unique         4.23, 4.98 A)
 &rst
  ixpk= 71, nxpk= 25, iat=  23,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  49,  50,
 &end
#
#    2 ARG  HA            3 LEU  HB-         4.50    (#     72:25  Unique         4.23, 4.98 A)
 &rst
  ixpk= 72, nxpk= 25, iat=  23,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  49,  50,
 &end
#
#    4 SER  HN            3 LEU  HB+         4.50    (#     73:25  Unique         2.45, 3.02 A)
 &rst
  ixpk= 73, nxpk= 25, iat=  64,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  49,  50,
 &end
#
#    4 SER  HN            3 LEU  HB-         4.50    (#     74:25  Unique         2.45, 3.02 A)
 &rst
  ixpk= 74, nxpk= 25, iat=  64,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  49,  50,
 &end
#
#    3 LEU  HN            3 LEU  HB+         3.50    (#     75:25  Unique         2.23, 2.95 A)
 &rst
  ixpk= 75, nxpk= 25, iat=  45,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  49,  50,
 &end
#
#    3 LEU  HN            3 LEU  HB-         3.50    (#     76:25  Unique         2.23, 2.95 A)
 &rst
  ixpk= 76, nxpk= 25, iat=  45,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  49,  50,
 &end
#
#    3 LEU  HA            3 LEU  HG          4.50    (#     78:25  Unique         3.32, 3.73 A)
 &rst
  ixpk= 78, nxpk= 25, iat=  47,  52, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  118 LEU  HA            3 LEU  HG          4.50    (#     79:25  Unique         4.21, 4.46 A)
 &rst
  ixpk= 79, nxpk= 25, iat=1777,  52, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  147 GLY  HA+           3 LEU  HG          5.50    (#     80:25  Unique         2.82, 3.94 A)
 &rst
  ixpk= 80, nxpk= 25, iat=  -1,  52, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2238,2239,
 &end
#
#    3 LEU  HB+           3 LEU  HG          2.80    (#     83:25  Unique         2.31, 2.45 A)
 &rst
  ixpk= 83, nxpk= 25, iat=  -1,  52, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=  49,  50,
 &end
#
#    0 AMB  25-2:84       0 AMB  25-1:84     4.50    (#     84:25  Double Ambig)
 &rst
  ixpk= 84, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.07, r4= 7.82,
 igr1=2219,2220, 213,1270,1271,
 igr2=  52, 235, 236,
 &end
#
#  144 ILE  QD1           4 SER  HA          4.50    (#     85:25  Unique         4.37, 5.67 A)
 &rst
  ixpk= 85, nxpk= 25, iat=  -1,  66, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=2195,2196,2197,
 &end
#
#  144 ILE  QG2           4 SER  HA          3.50    (#     86:25  Unique         2.33, 2.88 A)
 &rst
  ixpk= 86, nxpk= 25, iat=  -1,  66, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=2188,2189,2190,
 &end
#
#    0 AMB  25-2:87       4 SER  HA          4.50    (#     87:25  Single Ambig)
 &rst
  ixpk= 87, nxpk= 25, iat=  -1,  66, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=  49,  50,2186,
 &end
#
#    7 PHE  HB+           4 SER  HA          5.50    (#     88:25  Unique         2.12, 3.69 A)
 &rst
  ixpk= 88, nxpk= 25, iat=  -1,  66, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 112, 113,
 &end
#
#    4 SER  HB+           4 SER  HA          2.80    (#     89:25  Unique         2.26, 2.58 A)
 &rst
  ixpk= 89, nxpk= 25, iat=  -1,  66, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=  68,  69,
 &end
#
#    0 AMB  25-2:92       4 SER  HA          3.50    (#     92:25  Single Ambig)
 &rst
  ixpk= 92, nxpk= 25, iat=  -1,  66, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 116, 124, 108,
 &end
#
#    5 ASP  HN            4 SER  HA          4.50    (#     94:25  Unique         3.49, 3.55 A)
 &rst
  ixpk= 94, nxpk= 25, iat=  75,  66, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    6 TYR  HN            4 SER  HA          5.50    (#     95:25  Unique         3.59, 3.84 A)
 &rst
  ixpk= 95, nxpk= 25, iat=  87,  66, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    4 SER  HN            4 SER  HA          3.50    (#     96:25  Unique         2.66, 2.74 A)
 &rst
  ixpk= 96, nxpk= 25, iat=  64,  66, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    4 SER  HN            4 SER  HB+         3.50    (#     97:25  Unique         2.60, 3.11 A)
 &rst
  ixpk= 97, nxpk= 25, iat=  64,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  68,  69,
 &end
#
#    4 SER  HN            4 SER  HB-         3.50    (#     98:25  Unique         2.60, 3.11 A)
 &rst
  ixpk= 98, nxpk= 25, iat=  64,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  68,  69,
 &end
#
#    6 TYR  HN            5 ASP  HA          3.50    (#     99:25  Unique         3.40, 3.52 A)
 &rst
  ixpk= 99, nxpk= 25, iat=  87,  77, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    5 ASP  HN            5 ASP  HA          2.80    (#    100:25  Unique         2.83, 2.85 A)
 &rst
  ixpk= 100, nxpk= 25, iat=  75,  77, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    7 PHE  HN            5 ASP  HA          4.50    (#    101:25  Unique         4.16, 4.48 A)
 &rst
  ixpk= 101, nxpk= 25, iat= 108,  77, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    5 ASP  HB+           5 ASP  HA          2.80    (#    102:25  Unique         2.46, 2.76 A)
 &rst
  ixpk= 102, nxpk= 25, iat=  -1,  77, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=  79,  80,
 &end
#
#    5 ASP  HB-           5 ASP  HA          2.80    (#    103:25  Unique         2.46, 2.76 A)
 &rst
  ixpk= 103, nxpk= 25, iat=  -1,  77, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=  79,  80,
 &end
#
#    6 TYR  HN            6 TYR  HB+         3.50    (#    104:25  Unique         2.34, 3.03 A)
 &rst
  ixpk= 104, nxpk= 25, iat=  87,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  91,  92,
 &end
#
#    6 TYR  HN            6 TYR  HB-         3.50    (#    105:25  Unique         2.34, 3.03 A)
 &rst
  ixpk= 105, nxpk= 25, iat=  87,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  91,  92,
 &end
#
#    7 PHE  HN            6 TYR  HB-         4.50    (#    106:25  Unique         2.90, 3.55 A)
 &rst
  ixpk= 106, nxpk= 25, iat= 108,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  91,  92,
 &end
#
#    6 TYR  HD            6 TYR  HB-         4.50    (#    107:25  Unique         2.33, 3.08 A)
 &rst
  ixpk= 107, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=  95, 104,
 igr2=  91,  92,
 &end
#
#   79 MET  HG-           6 TYR  HB-         4.50    (#    111:25  Unique         2.01, 3.52 A)
 &rst
  ixpk= 111, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1212,1213,
 igr2=  91,  92,
 &end
#
#   79 MET  HB+           6 TYR  HB-         4.50    (#    112:25  Unique         2.29, 3.36 A)
 &rst
  ixpk= 112, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1209,1210,
 igr2=  91,  92,
 &end
#
#  103 LEU  HG            6 TYR  HB-         4.50    (#    113:25  Unique         4.66, 5.30 A)
 &rst
  ixpk= 113, nxpk= 25, iat=1588,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  91,  92,
 &end
#
#  103 LEU  HG            6 TYR  HB+         4.50    (#    114:25  Unique         4.66, 5.30 A)
 &rst
  ixpk= 114, nxpk= 25, iat=1588,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  91,  92,
 &end
#
#   79 MET  HB-           6 TYR  HB+         5.50    (#    115:25  Unique         2.29, 3.36 A)
 &rst
  ixpk= 115, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1209,1210,
 igr2=  91,  92,
 &end
#
#   79 MET  HB-           6 TYR  HB-         4.50    (#    116:25  Unique         2.29, 3.36 A)
 &rst
  ixpk= 116, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1209,1210,
 igr2=  91,  92,
 &end
#
#   32 LEU  MDY           7 PHE  HA          5.50    (#    117:25  Unique         4.19, 6.40 A)
 &rst
  ixpk= 117, nxpk= 25, iat=  -1, 110, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 497, 498, 499, 501, 502, 503,
 &end
#
#    0 AMB  25-2:118      7 PHE  HA          5.50    (#    118:25  Single Ambig)
 &rst
  ixpk= 118, nxpk= 25, iat=  -1, 110, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=2188,2189,2190, 192, 193, 194,
 &end
#
#    8 PRO  HG+           7 PHE  HA          5.50    (#    119:25  Unique         4.27, 4.47 A)
 &rst
  ixpk= 119, nxpk= 25, iat=  -1, 110, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 132, 133,
 &end
#
#   79 MET  HB+           7 PHE  HA          5.50    (#    120:25  Unique         2.83, 4.00 A)
 &rst
  ixpk= 120, nxpk= 25, iat=  -1, 110, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1209,1210,
 &end
#
#    8 PRO  HB+           7 PHE  HA          5.50    (#    121:25  Unique         4.65, 5.30 A)
 &rst
  ixpk= 121, nxpk= 25, iat=  -1, 110, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 135, 136,
 &end
#
#    0 AMB  25-2:122      7 PHE  HA          5.50    (#    122:25  Single Ambig)
 &rst
  ixpk= 122, nxpk= 25, iat=  -1, 110, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1=  49,  50,1237,1238,2186,
 &end
#
#    0 AMB  25-2:123      7 PHE  HA          5.50    (#    123:25  Single Ambig)
 &rst
  ixpk= 123, nxpk= 25, iat=  -1, 110, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 135, 136,1212,1213,
 &end
#
#    7 PHE  HB+           7 PHE  HA          2.80    (#    124:25  Unique         2.18, 2.73 A)
 &rst
  ixpk= 124, nxpk= 25, iat=  -1, 110, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 112, 113,
 &end
#
#    8 PRO  HD+           7 PHE  HA          2.80    (#    125:25  Unique         2.07, 2.36 A)
 &rst
  ixpk= 125, nxpk= 25, iat=  -1, 110, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 129, 130,
 &end
#
#    0 AMB  25-2:126      7 PHE  HA          2.80    (#    126:25  Single Ambig)
 &rst
  ixpk= 126, nxpk= 25, iat=  -1, 110, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 129, 130, 172, 173,
 &end
#
#   11 SER  HB-           7 PHE  HA          5.50    (#    127:25  Unique         2.72, 3.42 A)
 &rst
  ixpk= 127, nxpk= 25, iat=  -1, 110, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 172, 173,
 &end
#
#    7 PHE  HN            7 PHE  HA          3.50    (#    131:25  Unique         2.92, 2.96 A)
 &rst
  ixpk= 131, nxpk= 25, iat= 108, 110, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   79 MET  HN            7 PHE  HA          4.50    (#    133:25  Unique         2.19, 2.85 A)
 &rst
  ixpk= 133, nxpk= 25, iat=1205, 110, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    6 TYR  HN            7 PHE  HA          5.50    (#    134:25  Unique         4.66, 5.03 A)
 &rst
  ixpk= 134, nxpk= 25, iat=  87, 110, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  25-2:135      0 AMB  25-1:135    3.50    (#    135:25  Double Ambig)
 &rst
  ixpk= 135, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1=2188,2189,2190, 192, 193, 194,
 igr2= 112, 113, 112, 113,
 &end
#
#    7 PHE  HA            7 PHE  HB+         3.50    (#    136:25  Unique         2.18, 2.73 A)
 &rst
  ixpk= 136, nxpk= 25, iat= 110,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 112, 113,
 &end
#
#    7 PHE  HN            7 PHE  HB+         2.80    (#    137:25  Unique         2.27, 3.01 A)
 &rst
  ixpk= 137, nxpk= 25, iat= 108,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 112, 113,
 &end
#
#    9 GLU  HN            8 PRO  HA          3.50    (#    138:25  Unique         2.12, 2.75 A)
 &rst
  ixpk= 138, nxpk= 25, iat= 142, 138, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    8 PRO  HB-           8 PRO  HA          3.50    (#    141:25  Unique         2.22, 2.58 A)
 &rst
  ixpk= 141, nxpk= 25, iat=  -1, 138, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 135, 136,
 &end
#
#    8 PRO  HB+           8 PRO  HA          3.50    (#    142:25  Unique         2.22, 2.58 A)
 &rst
  ixpk= 142, nxpk= 25, iat=  -1, 138, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 135, 136,
 &end
#
#    8 PRO  HG+           8 PRO  HA          4.50    (#    143:25  Unique         2.85, 3.76 A)
 &rst
  ixpk= 143, nxpk= 25, iat=  -1, 138, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 132, 133,
 &end
#
#    8 PRO  HG+           8 PRO  HB-         3.50    (#    144:25  Unique         2.34, 2.63 A)
 &rst
  ixpk= 144, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 132, 133,
 igr2= 135, 136,
 &end
#
#    8 PRO  HG+           8 PRO  HB+         2.80    (#    145:25  Unique         2.34, 2.63 A)
 &rst
  ixpk= 145, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 132, 133,
 igr2= 135, 136,
 &end
#
#   35 LYS  HE+           8 PRO  HB-         4.50    (#    147:25  Unique         2.04, 3.41 A)
 &rst
  ixpk= 147, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 551, 552,
 igr2= 135, 136,
 &end
#
#   35 LYS  HE+           8 PRO  HB+         4.50    (#    148:25  Unique         2.04, 3.41 A)
 &rst
  ixpk= 148, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 551, 552,
 igr2= 135, 136,
 &end
#
#    0 AMB  25-2:149      0 AMB  25-1:149    5.50    (#    149:25  Double Ambig)
 &rst
  ixpk= 149, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1= 172, 173, 481, 482,
 igr2= 135, 136, 135, 136,
 &end
#
#    8 PRO  HD+           8 PRO  HB+         4.50    (#    150:25  Unique         2.72, 3.67 A)
 &rst
  ixpk= 150, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 129, 130,
 igr2= 135, 136,
 &end
#
#    8 PRO  HD+           8 PRO  HB-         4.50    (#    151:25  Unique         2.72, 3.67 A)
 &rst
  ixpk= 151, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 129, 130,
 igr2= 135, 136,
 &end
#
#    0 AMB  25-2:153      8 PRO  HB-         4.50    (#    153:25  Single Ambig)
 &rst
  ixpk= 153, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 172, 173, 129, 130,
 igr2= 135, 136,
 &end
#
#    0 AMB  25-2:154      0 AMB  25-1:154    4.50    (#    154:25  Double Ambig)
 &rst
  ixpk= 154, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 172, 173, 129, 130,
 igr2= 135, 136, 135, 136,
 &end
#
#    8 PRO  HA            8 PRO  HB-         3.50    (#    155:25  Unique         2.22, 2.58 A)
 &rst
  ixpk= 155, nxpk= 25, iat= 138,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 135, 136,
 &end
#
#    8 PRO  HA            8 PRO  HB+         3.50    (#    156:25  Unique         2.22, 2.58 A)
 &rst
  ixpk= 156, nxpk= 25, iat= 138,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 135, 136,
 &end
#
#    7 PHE  HA            8 PRO  HB+         5.50    (#    159:25  Unique         4.65, 5.30 A)
 &rst
  ixpk= 159, nxpk= 25, iat= 110,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 135, 136,
 &end
#
#   37 TYR  HD            8 PRO  HB+         5.50    (#    160:25  Unique         4.32, 6.17 A)
 &rst
  ixpk= 160, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 582, 591,
 igr2= 135, 136,
 &end
#
#    9 GLU  HN            8 PRO  HB-         4.50    (#    161:25  Unique         1.82, 2.70 A)
 &rst
  ixpk= 161, nxpk= 25, iat= 142,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 135, 136,
 &end
#
#    9 GLU  HN            8 PRO  HB+         4.50    (#    162:25  Unique         1.82, 2.70 A)
 &rst
  ixpk= 162, nxpk= 25, iat= 142,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 135, 136,
 &end
#
#    8 PRO  HA            8 PRO  HG+         4.50    (#    164:25  Unique         2.85, 3.76 A)
 &rst
  ixpk= 164, nxpk= 25, iat= 138,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 132, 133,
 &end
#
#   11 SER  HA            8 PRO  HG+         5.50    (#    165:25  Unique         2.49, 4.21 A)
 &rst
  ixpk= 165, nxpk= 25, iat= 170,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 132, 133,
 &end
#
#    0 AMB  25-2:166      0 AMB  25-1:166    2.80    (#    166:25  Double Ambig)
 &rst
  ixpk= 166, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 129, 130, 172, 173,
 igr2= 132, 133, 132, 133,
 &end
#
#    8 PRO  HD+           8 PRO  HG+         2.80    (#    167:25  Unique         2.23, 2.60 A)
 &rst
  ixpk= 167, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 129, 130,
 igr2= 132, 133,
 &end
#
#    0 AMB  25-2:168      0 AMB  25-1:168    3.50    (#    168:25  Double Ambig)
 &rst
  ixpk= 168, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 172, 173, 481, 482,
 igr2= 132, 133, 132, 133,
 &end
#
#    8 PRO  HB-           8 PRO  HG+         3.50    (#    169:25  Unique         2.34, 2.63 A)
 &rst
  ixpk= 169, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 135, 136,
 igr2= 132, 133,
 &end
#
#    8 PRO  HB+           8 PRO  HG+         2.80    (#    170:25  Unique         2.34, 2.63 A)
 &rst
  ixpk= 170, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 135, 136,
 igr2= 132, 133,
 &end
#
#    7 PHE  HA            8 PRO  HG+         4.50    (#    171:25  Unique         4.27, 4.47 A)
 &rst
  ixpk= 171, nxpk= 25, iat= 110,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 132, 133,
 &end
#
#    7 PHE  HA            8 PRO  HD-         3.50    (#    172:25  Unique         2.07, 2.36 A)
 &rst
  ixpk= 172, nxpk= 25, iat= 110,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 129, 130,
 &end
#
#   11 SER  HB-           8 PRO  HD-         4.50    (#    175:25  Unique         2.04, 3.44 A)
 &rst
  ixpk= 175, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 172, 173,
 igr2= 129, 130,
 &end
#
#    7 PHE  HB+           8 PRO  HD-         4.50    (#    176:25  Unique         2.83, 4.46 A)
 &rst
  ixpk= 176, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 112, 113,
 igr2= 129, 130,
 &end
#
#    8 PRO  HB-           8 PRO  HD-         4.50    (#    177:25  Unique         2.72, 3.67 A)
 &rst
  ixpk= 177, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 135, 136,
 igr2= 129, 130,
 &end
#
#    8 PRO  HB+           8 PRO  HD-         5.50    (#    178:25  Unique         2.72, 3.67 A)
 &rst
  ixpk= 178, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 135, 136,
 igr2= 129, 130,
 &end
#
#    8 PRO  HG+           8 PRO  HD-         2.80    (#    179:25  Unique         2.23, 2.60 A)
 &rst
  ixpk= 179, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 132, 133,
 igr2= 129, 130,
 &end
#
#   32 LEU  MDY           8 PRO  HD-         4.50    (#    180:25  Unique         2.82, 5.43 A)
 &rst
  ixpk= 180, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 497, 498, 499, 501, 502, 503,
 igr2= 129, 130,
 &end
#
#   32 LEU  MDY           8 PRO  HD+         5.50    (#    181:25  Unique         2.82, 5.43 A)
 &rst
  ixpk= 181, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 497, 498, 499, 501, 502, 503,
 igr2= 129, 130,
 &end
#
#    8 PRO  HG+           8 PRO  HD+         2.80    (#    182:25  Unique         2.23, 2.60 A)
 &rst
  ixpk= 182, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 132, 133,
 igr2= 129, 130,
 &end
#
#    8 PRO  HB-           8 PRO  HD+         4.50    (#    183:25  Unique         2.72, 3.67 A)
 &rst
  ixpk= 183, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 135, 136,
 igr2= 129, 130,
 &end
#
#    7 PHE  HB+           8 PRO  HD+         5.50    (#    184:25  Unique         2.83, 4.46 A)
 &rst
  ixpk= 184, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 112, 113,
 igr2= 129, 130,
 &end
#
#    7 PHE  HA            8 PRO  HD+         3.50    (#    186:25  Unique         2.07, 2.36 A)
 &rst
  ixpk= 186, nxpk= 25, iat= 110,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 129, 130,
 &end
#
#    7 PHE  HN            8 PRO  HD-         5.50    (#    187:25  Unique         4.19, 4.82 A)
 &rst
  ixpk= 187, nxpk= 25, iat= 108,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 129, 130,
 &end
#
#   79 MET  HN            8 PRO  HD-         4.50    (#    188:25  Unique         2.31, 3.16 A)
 &rst
  ixpk= 188, nxpk= 25, iat=1205,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 129, 130,
 &end
#
#   79 MET  HN            8 PRO  HD+         4.50    (#    189:25  Unique         2.31, 3.16 A)
 &rst
  ixpk= 189, nxpk= 25, iat=1205,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 129, 130,
 &end
#
#    7 PHE  HN            8 PRO  HD+         5.50    (#    190:25  Unique         4.19, 4.82 A)
 &rst
  ixpk= 190, nxpk= 25, iat= 108,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 129, 130,
 &end
#
#    9 GLU  HN            9 GLU  HA          3.50    (#    191:25  Unique         2.27, 2.91 A)
 &rst
  ixpk= 191, nxpk= 25, iat= 142, 144, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   10 SER  HN            9 GLU  HA          3.50    (#    192:25  Unique         2.34, 3.11 A)
 &rst
  ixpk= 192, nxpk= 25, iat= 157, 144, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   11 SER  HN            9 GLU  HA          3.50    (#    193:25  Unique         2.93, 3.38 A)
 &rst
  ixpk= 193, nxpk= 25, iat= 168, 144, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:195      0 AMB  25-1:195    2.80    (#    195:25  Double Ambig)
 &rst
  ixpk= 195, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=2112,2113, 149, 150,
 igr2=2107, 144,
 &end
#
#    9 GLU  HB+           9 GLU  HA          2.80    (#    196:25  Unique         2.35, 2.76 A)
 &rst
  ixpk= 196, nxpk= 25, iat=  -1, 144, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 146, 147,
 &end
#
#    9 GLU  HN            9 GLU  HB+         2.80    (#    197:25  Unique         2.10, 2.64 A)
 &rst
  ixpk= 197, nxpk= 25, iat= 142,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 146, 147,
 &end
#
#   10 SER  HN            9 GLU  HB+         3.50    (#    198:25  Unique         2.16, 3.36 A)
 &rst
  ixpk= 198, nxpk= 25, iat= 157,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 146, 147,
 &end
#
#   95 GLU  HA            0 AMB  25-1:199    2.80    (#    199:25  Single Ambig)
 &rst
  ixpk= 199, nxpk= 25, iat=1449,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2=1451,1452,1451,1452,
 &end
#
#    8 PRO  HA            9 GLU  HB+         4.50    (#    201:25  Unique         4.09, 4.86 A)
 &rst
  ixpk= 201, nxpk= 25, iat= 138,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 146, 147,
 &end
#
#    9 GLU  HA            9 GLU  HB+         2.80    (#    202:25  Unique         2.35, 2.76 A)
 &rst
  ixpk= 202, nxpk= 25, iat= 144,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 146, 147,
 &end
#
#   35 LYS  HE+           9 GLU  HB+         3.50    (#    203:25  Unique         2.69, 4.71 A)
 &rst
  ixpk= 203, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 551, 552,
 igr2= 146, 147,
 &end
#
#   10 SER  HN            9 GLU  HG+         4.50    (#    205:25  Unique         1.82, 3.03 A)
 &rst
  ixpk= 205, nxpk= 25, iat= 157,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 149, 150,
 &end
#
#  138 LYS  HN          137 GLU  HG+         4.50    (#    206:25  Unique         3.97, 4.92 A)
 &rst
  ixpk= 206, nxpk= 25, iat=2083,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=2075,2076,
 &end
#
#   10 SER  HA            9 GLU  HG+         3.50    (#    208:25  Unique         3.48, 4.14 A)
 &rst
  ixpk= 208, nxpk= 25, iat= 159,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 149, 150,
 &end
#
#  137 GLU  HA          137 GLU  HG+         3.50    (#    210:25  Unique         2.39, 2.96 A)
 &rst
  ixpk= 210, nxpk= 25, iat=2070,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=2075,2076,
 &end
#
#   35 LYS  HE+           9 GLU  HG+         4.50    (#    211:25  Unique         4.82, 6.01 A)
 &rst
  ixpk= 211, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 551, 552,
 igr2= 149, 150,
 &end
#
#   12 ILE  QG2         137 GLU  HG+         2.80    (#    212:25  Unique         2.08, 3.69 A)
 &rst
  ixpk= 212, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 185, 186, 187,
 igr2=2075,2076,
 &end
#
#   14 VAL  MGY         137 GLU  HG+         3.50    (#    213:25  Unique         2.20, 5.41 A)
 &rst
  ixpk= 213, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 215, 216, 217, 219, 220, 221,
 igr2=2075,2076,
 &end
#
#   11 SER  HN           10 SER  HA          3.50    (#    215:25  Unique         2.75, 3.05 A)
 &rst
  ixpk= 215, nxpk= 25, iat= 168, 159, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   12 ILE  HN           10 SER  HA          3.50    (#    216:25  Unique         3.22, 3.48 A)
 &rst
  ixpk= 216, nxpk= 25, iat= 179, 159, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  144 ILE  QG2         145 SER  HA          4.50    (#    220:25  Unique         3.01, 4.11 A)
 &rst
  ixpk= 220, nxpk= 25, iat=  -1,2203, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=2188,2189,2190,
 &end
#
#   10 SER  HN           10 SER  HB+         3.50    (#    221:25  Unique         2.63, 3.39 A)
 &rst
  ixpk= 221, nxpk= 25, iat= 157,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 161, 162,
 &end
#
#    0 AMB  25-2:222      0 AMB  25-1:222    4.50    (#    222:25  Double Ambig)
 &rst
  ixpk= 222, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 168, 477,
 igr2= 161, 162, 161, 162,
 &end
#
#   10 SER  HA           10 SER  HB+         2.80    (#    224:25  Unique         2.36, 2.71 A)
 &rst
  ixpk= 224, nxpk= 25, iat= 159,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 161, 162,
 &end
#
#   35 LYS  HE+          10 SER  HB+         3.50    (#    225:25  Unique         2.27, 4.18 A)
 &rst
  ixpk= 225, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 551, 552,
 igr2= 161, 162,
 &end
#
#    9 GLU  HG+          10 SER  HB+         5.50    (#    226:25  Unique         3.62, 5.48 A)
 &rst
  ixpk= 226, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 149, 150,
 igr2= 161, 162,
 &end
#
#   81 LEU  HN           11 SER  HA          5.50    (#    227:25  Unique         4.12, 4.26 A)
 &rst
  ixpk= 227, nxpk= 25, iat=1233, 170, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   11 SER  HN           11 SER  HA          3.50    (#    228:25  Unique         2.78, 2.82 A)
 &rst
  ixpk= 228, nxpk= 25, iat= 168, 170, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   12 ILE  HN           11 SER  HA          3.50    (#    229:25  Unique         3.20, 3.41 A)
 &rst
  ixpk= 229, nxpk= 25, iat= 179, 170, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   12 ILE  HA           11 SER  HA          5.50    (#    230:25  Unique         4.55, 4.66 A)
 &rst
  ixpk= 230, nxpk= 25, iat= 181, 170, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   80 SER  HA           11 SER  HA          4.50    (#    232:25  Unique         3.16, 3.54 A)
 &rst
  ixpk= 232, nxpk= 25, iat=1224, 170, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:234     11 SER  HA          3.50    (#    234:25  Single Ambig)
 &rst
  ixpk= 234, nxpk= 25, iat=  -1, 170, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 172, 173, 129, 130,
 &end
#
#   31 SER  HB-          11 SER  HA          3.50    (#    235:25  Unique         1.96, 2.46 A)
 &rst
  ixpk= 235, nxpk= 25, iat=  -1, 170, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 481, 482,
 &end
#
#    0 AMB  25-2:236     11 SER  HA          2.80    (#    236:25  Single Ambig)
 &rst
  ixpk= 236, nxpk= 25, iat=  -1, 170, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 481, 482, 172, 173,
 &end
#
#    0 AMB  25-2:237     11 SER  HA          5.50    (#    237:25  Single Ambig)
 &rst
  ixpk= 237, nxpk= 25, iat=  -1, 170, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1= 183,1237,1238, 548, 549,
 &end
#
#    8 PRO  HG+          11 SER  HA          5.50    (#    238:25  Unique         2.49, 4.21 A)
 &rst
  ixpk= 238, nxpk= 25, iat=  -1, 170, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 132, 133,
 &end
#
#   81 LEU  HN           11 SER  HB+         5.50    (#    239:25  Unique         3.43, 4.38 A)
 &rst
  ixpk= 239, nxpk= 25, iat=1233,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 172, 173,
 &end
#
#   81 LEU  HN           11 SER  HB-         5.50    (#    240:25  Unique         3.43, 4.38 A)
 &rst
  ixpk= 240, nxpk= 25, iat=1233,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 172, 173,
 &end
#
#   11 SER  HN           11 SER  HB+         4.50    (#    241:25  Unique         2.28, 3.06 A)
 &rst
  ixpk= 241, nxpk= 25, iat= 168,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 172, 173,
 &end
#
#   11 SER  HN           11 SER  HB-         4.50    (#    242:25  Unique         2.28, 3.06 A)
 &rst
  ixpk= 242, nxpk= 25, iat= 168,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 172, 173,
 &end
#
#    0 AMB  25-2:243      0 AMB  25-1:243    5.50    (#    243:25  Double Ambig)
 &rst
  ixpk= 243, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 179,1205,
 igr2= 172, 173, 172, 173,
 &end
#
#    7 PHE  HD           11 SER  HB+         5.50    (#    244:25  Unique         2.13, 4.41 A)
 &rst
  ixpk= 244, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 116, 124,
 igr2= 172, 173,
 &end
#
#    7 PHE  HD           11 SER  HB-         5.50    (#    245:25  Unique         2.13, 4.41 A)
 &rst
  ixpk= 245, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 116, 124,
 igr2= 172, 173,
 &end
#
#   80 SER  HA           11 SER  HB+         4.50    (#    246:25  Unique         2.07, 3.18 A)
 &rst
  ixpk= 246, nxpk= 25, iat=1224,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 172, 173,
 &end
#
#    7 PHE  HA           11 SER  HB+         5.50    (#    247:25  Unique         2.72, 3.42 A)
 &rst
  ixpk= 247, nxpk= 25, iat= 110,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 172, 173,
 &end
#
#   80 SER  HA           11 SER  HB-         4.50    (#    248:25  Unique         2.07, 3.18 A)
 &rst
  ixpk= 248, nxpk= 25, iat=1224,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 172, 173,
 &end
#
#    7 PHE  HA           11 SER  HB-         4.50    (#    249:25  Unique         2.72, 3.42 A)
 &rst
  ixpk= 249, nxpk= 25, iat= 110,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 172, 173,
 &end
#
#   11 SER  HA           11 SER  HB+         3.50    (#    253:25  Unique         2.23, 2.46 A)
 &rst
  ixpk= 253, nxpk= 25, iat= 170,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 172, 173,
 &end
#
#   11 SER  HA           11 SER  HB-         3.50    (#    254:25  Unique         2.23, 2.46 A)
 &rst
  ixpk= 254, nxpk= 25, iat= 170,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 172, 173,
 &end
#
#   80 SER  HB+          11 SER  HB-         4.50    (#    255:25  Unique         3.72, 4.90 A)
 &rst
  ixpk= 255, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1226,1227,
 igr2= 172, 173,
 &end
#
#    8 PRO  HG+          11 SER  HB+         4.50    (#    259:25  Unique         2.28, 4.44 A)
 &rst
  ixpk= 259, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 132, 133,
 igr2= 172, 173,
 &end
#
#   32 LEU  MDY          11 SER  HB-         5.50    (#    261:25  Unique         5.01, 7.35 A)
 &rst
  ixpk= 261, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 497, 498, 499, 501, 502, 503,
 igr2= 172, 173,
 &end
#
#   32 LEU  MDY          11 SER  HB+         5.50    (#    262:25  Unique         5.01, 7.35 A)
 &rst
  ixpk= 262, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 497, 498, 499, 501, 502, 503,
 igr2= 172, 173,
 &end
#
#    0 AMB  25-2:263     12 ILE  HA          2.80    (#    263:25  Single Ambig)
 &rst
  ixpk= 263, nxpk= 25, iat=  -1, 181, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 198,1233,
 &end
#
#   12 ILE  HN           12 ILE  HA          4.50    (#    264:25  Unique         2.91, 2.96 A)
 &rst
  ixpk= 264, nxpk= 25, iat= 179, 181, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   82 THR  HA           12 ILE  HA          4.50    (#    266:25  Unique         3.67, 4.05 A)
 &rst
  ixpk= 266, nxpk= 25, iat=1254, 181, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:267     12 ILE  HA          5.50    (#    267:25  Single Ambig)
 &rst
  ixpk= 267, nxpk= 25, iat=  -1, 181, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 200, 211,
 &end
#
#   13 SER  HB+          12 ILE  HA          5.50    (#    269:25  Unique         4.52, 5.18 A)
 &rst
  ixpk= 269, nxpk= 25, iat=  -1, 181, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 202, 203,
 &end
#
#    0 AMB  25-2:270     12 ILE  HA          5.50    (#    270:25  Single Ambig)
 &rst
  ixpk= 270, nxpk= 25, iat=  -1, 181, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1226,1227, 202, 203,
 &end
#
#    0 AMB  25-2:271     12 ILE  HA          2.80    (#    271:25  Single Ambig)
 &rst
  ixpk= 271, nxpk= 25, iat=  -1, 181, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1237,1238, 183,
 &end
#
#   81 LEU  HB+          12 ILE  HA          4.50    (#    272:25  Unique         2.62, 3.58 A)
 &rst
  ixpk= 272, nxpk= 25, iat=  -1, 181, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1237,1238,
 &end
#
#   12 ILE  QG2          12 ILE  HA          2.80    (#    273:25  Unique         2.53, 3.47 A)
 &rst
  ixpk= 273, nxpk= 25, iat=  -1, 181, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 185, 186, 187,
 &end
#
#   12 ILE  QD1          12 ILE  HA          3.50    (#    274:25  Unique         3.75, 4.36 A)
 &rst
  ixpk= 274, nxpk= 25, iat=  -1, 181, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 192, 193, 194,
 &end
#
#   12 ILE  QD1          12 ILE  HB          3.50    (#    275:25  Unique         2.26, 2.85 A)
 &rst
  ixpk= 275, nxpk= 25, iat=  -1, 183, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 192, 193, 194,
 &end
#
#   12 ILE  QG2          12 ILE  HB          2.80    (#    276:25  Unique         2.33, 2.62 A)
 &rst
  ixpk= 276, nxpk= 25, iat=  -1, 183, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 185, 186, 187,
 &end
#
#   12 ILE  HA           12 ILE  HB          3.50    (#    277:25  Unique         2.95, 2.99 A)
 &rst
  ixpk= 277, nxpk= 25, iat= 181, 183, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   12 ILE  HN           12 ILE  HB          2.80    (#    278:25  Unique         2.34, 2.44 A)
 &rst
  ixpk= 278, nxpk= 25, iat= 179, 183, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   11 SER  HN           12 ILE  HB          5.50    (#    279:25  Unique         3.86, 4.29 A)
 &rst
  ixpk= 279, nxpk= 25, iat= 168, 183, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  25-2:280     12 ILE  HB          4.50    (#    280:25  Single Ambig)
 &rst
  ixpk= 280, nxpk= 25, iat=  -1, 183, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 198,1233,
 &end
#
#    0 AMB  25-2:281      0 AMB  25-1:281    4.50    (#    281:25  Double Ambig)
 &rst
  ixpk= 281, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1=1233,1252, 198,
 igr2= 189, 190,1240,
 &end
#
#   83 LEU  HN            0 AMB  25-1:282    5.50    (#    282:25  Single Ambig)
 &rst
  ixpk= 282, nxpk= 25, iat=1266,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1240, 189, 190,
 &end
#
#   12 ILE  HA           12 ILE  HG1-        3.50    (#    283:25  Unique         2.14, 2.56 A)
 &rst
  ixpk= 283, nxpk= 25, iat= 181,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 189, 190,
 &end
#
#  144 ILE  QD1          81 LEU  HG          5.50    (#    285:25  Unique         2.88, 4.56 A)
 &rst
  ixpk= 285, nxpk= 25, iat=  -1,1240, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=2195,2196,2197,
 &end
#
#    0 AMB  25-2:286     12 ILE  QD1         4.50    (#    286:25  Single Ambig)
 &rst
  ixpk= 286, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1233, 198,
 igr2= 192, 193, 194,
 &end
#
#  141 ALA  HN           12 ILE  QD1         4.50    (#    287:25  Unique         2.53, 3.99 A)
 &rst
  ixpk= 287, nxpk= 25, iat=2141,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 192, 193, 194,
 &end
#
#   12 ILE  HN           12 ILE  QD1         4.50    (#    288:25  Unique         2.68, 4.52 A)
 &rst
  ixpk= 288, nxpk= 25, iat= 179,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 192, 193, 194,
 &end
#
#    7 PHE  HD           12 ILE  QD1         4.50    (#    289:25  Unique         2.41, 5.56 A)
 &rst
  ixpk= 289, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 116, 124,
 igr2= 192, 193, 194,
 &end
#
#   12 ILE  HA           12 ILE  QD1         4.50    (#    290:25  Unique         3.75, 4.36 A)
 &rst
  ixpk= 290, nxpk= 25, iat= 181,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 192, 193, 194,
 &end
#
#  141 ALA  HA           12 ILE  QD1         3.50    (#    291:25  Unique         2.29, 3.04 A)
 &rst
  ixpk= 291, nxpk= 25, iat=2143,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 192, 193, 194,
 &end
#
#    7 PHE  HB+          12 ILE  QD1         4.50    (#    292:25  Unique         3.08, 5.15 A)
 &rst
  ixpk= 292, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 112, 113,
 igr2= 192, 193, 194,
 &end
#
#    0 AMB  25-2:293     12 ILE  QD1         2.80    (#    293:25  Single Ambig)
 &rst
  ixpk= 293, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 183,1237,1238,
 igr2= 192, 193, 194,
 &end
#
#  141 ALA  MB           12 ILE  QD1         3.50    (#    294:25  Unique         2.19, 4.08 A)
 &rst
  ixpk= 294, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=2145,2146,2147,
 igr2= 192, 193, 194,
 &end
#
#  144 ILE  QD1          12 ILE  QD1         3.50    (#    297:25  Unique         3.10, 5.43 A)
 &rst
  ixpk= 297, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=2195,2196,2197,
 igr2= 192, 193, 194,
 &end
#
#   12 ILE  HG1-         12 ILE  QD1         2.80    (#    298:25  Unique         2.34, 2.66 A)
 &rst
  ixpk= 298, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 189, 190,
 igr2= 192, 193, 194,
 &end
#
#    0 AMB  25-2:299     12 ILE  QD1         2.80    (#    299:25  Single Ambig)
 &rst
  ixpk= 299, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.85, r4= 5.60,
 igr1= 185, 186, 187,1242,1243,1244,1246,1247,1248,
 igr2= 192, 193, 194,
 &end
#
#   12 ILE  QD1          12 ILE  QG2         2.80    (#    300:25  Unique         2.28, 4.11 A)
 &rst
  ixpk= 300, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 192, 193, 194,
 igr2= 185, 186, 187,
 &end
#
#   81 LEU  HB+          12 ILE  QG2         3.50    (#    302:25  Unique         2.57, 4.98 A)
 &rst
  ixpk= 302, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1237,1238,
 igr2= 185, 186, 187,
 &end
#
#    0 AMB  25-2:303     12 ILE  QG2         2.80    (#    303:25  Single Ambig)
 &rst
  ixpk= 303, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 183,1237,1238,
 igr2= 185, 186, 187,
 &end
#
#  137 GLU  HA           12 ILE  QG2         2.80    (#    305:25  Unique         2.34, 3.19 A)
 &rst
  ixpk= 305, nxpk= 25, iat=2070,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 185, 186, 187,
 &end
#
#   13 SER  HA           12 ILE  QG2         4.50    (#    306:25  Unique         2.92, 3.95 A)
 &rst
  ixpk= 306, nxpk= 25, iat= 200,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 185, 186, 187,
 &end
#
#   12 ILE  HA           12 ILE  QG2         3.50    (#    307:25  Unique         2.53, 3.47 A)
 &rst
  ixpk= 307, nxpk= 25, iat= 181,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 185, 186, 187,
 &end
#
#  140 LEU  HN           12 ILE  QG2         4.50    (#    308:25  Unique         3.80, 4.63 A)
 &rst
  ixpk= 308, nxpk= 25, iat=2122,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 185, 186, 187,
 &end
#
#   12 ILE  HN           12 ILE  QG2         4.50    (#    309:25  Unique         3.77, 4.41 A)
 &rst
  ixpk= 309, nxpk= 25, iat= 179,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 185, 186, 187,
 &end
#
#  141 ALA  HN           12 ILE  QG2         4.50    (#    310:25  Unique         2.41, 4.03 A)
 &rst
  ixpk= 310, nxpk= 25, iat=2141,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 185, 186, 187,
 &end
#
#   13 SER  HN           12 ILE  QG2         3.50    (#    311:25  Unique         2.52, 3.42 A)
 &rst
  ixpk= 311, nxpk= 25, iat= 198,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 185, 186, 187,
 &end
#
#   13 SER  HN           13 SER  HA          4.50    (#    312:25  Unique         2.84, 2.87 A)
 &rst
  ixpk= 312, nxpk= 25, iat= 198, 200, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   14 VAL  HN           13 SER  HA          2.80    (#    313:25  Unique         2.15, 2.28 A)
 &rst
  ixpk= 313, nxpk= 25, iat= 209, 200, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   12 ILE  HA           13 SER  HA          5.50    (#    314:25  Unique         4.41, 4.49 A)
 &rst
  ixpk= 314, nxpk= 25, iat= 181, 200, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   13 SER  HB+          13 SER  HA          3.50    (#    315:25  Unique         2.39, 2.79 A)
 &rst
  ixpk= 315, nxpk= 25, iat=  -1, 200, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 202, 203,
 &end
#
#   13 SER  HB-          13 SER  HA          3.50    (#    316:25  Unique         2.39, 2.79 A)
 &rst
  ixpk= 316, nxpk= 25, iat=  -1, 200, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 202, 203,
 &end
#
#  137 GLU  HG-          13 SER  HA          4.50    (#    317:25  Unique         2.15, 2.75 A)
 &rst
  ixpk= 317, nxpk= 25, iat=  -1, 200, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=2075,2076,
 &end
#
#  137 GLU  HG+          13 SER  HA          4.50    (#    318:25  Unique         2.15, 2.75 A)
 &rst
  ixpk= 318, nxpk= 25, iat=  -1, 200, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=2075,2076,
 &end
#
#  137 GLU  HB+          13 SER  HA          4.50    (#    319:25  Unique         3.55, 4.29 A)
 &rst
  ixpk= 319, nxpk= 25, iat=  -1, 200, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=2072,2073,
 &end
#
#   14 VAL  HB           13 SER  HA          4.50    (#    320:25  Unique         4.37, 4.58 A)
 &rst
  ixpk= 320, nxpk= 25, iat= 213, 200, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   12 ILE  QG2          13 SER  HA          4.50    (#    321:25  Unique         2.92, 3.95 A)
 &rst
  ixpk= 321, nxpk= 25, iat=  -1, 200, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 185, 186, 187,
 &end
#
#    0 AMB  25-2:322     13 SER  HA          4.50    (#    322:25  Single Ambig)
 &rst
  ixpk= 322, nxpk= 25, iat=  -1, 200, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 215, 216, 217, 219, 220, 221,2131,2132,2133,2135,
      2136,2137,
 &end
#
#   15 ILE  QD1          13 SER  HB+         4.50    (#    324:25  Unique         3.34, 4.68 A)
 &rst
  ixpk= 324, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 238, 239, 240,
 igr2= 202, 203,
 &end
#
#   15 ILE  QD1          13 SER  HB-         4.50    (#    325:25  Unique         3.34, 4.68 A)
 &rst
  ixpk= 325, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 238, 239, 240,
 igr2= 202, 203,
 &end
#
#    0 AMB  25-2:326      0 AMB  25-1:326    4.50    (#    326:25  Double Ambig)
 &rst
  ixpk= 326, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
 igr1= 215, 216, 217, 219, 220, 221,2131,2132,2133,2135,
      2136,2137,
 igr2= 202, 203, 202, 203,
 &end
#
#   15 ILE  HG1+         13 SER  HB+         4.50    (#    327:25  Unique         2.64, 3.86 A)
 &rst
  ixpk= 327, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 235, 236,
 igr2= 202, 203,
 &end
#
#    0 AMB  25-2:328     13 SER  HB-         5.50    (#    328:25  Single Ambig)
 &rst
  ixpk= 328, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1= 215, 216, 217, 219, 220, 221,2131,2132,2133,2135,
      2136,2137,
 igr2= 202, 203,
 &end
#
#   15 ILE  HG1+         13 SER  HB-         4.50    (#    329:25  Unique         2.64, 3.86 A)
 &rst
  ixpk= 329, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 235, 236,
 igr2= 202, 203,
 &end
#
#   82 THR  MG2          13 SER  HB+         4.50    (#    330:25  Unique         3.15, 5.49 A)
 &rst
  ixpk= 330, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1258,1259,1260,
 igr2= 202, 203,
 &end
#
#   82 THR  MG2          13 SER  HB-         4.50    (#    331:25  Unique         3.15, 5.49 A)
 &rst
  ixpk= 331, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1258,1259,1260,
 igr2= 202, 203,
 &end
#
#   13 SER  HA           13 SER  HB+         3.50    (#    337:25  Unique         2.39, 2.79 A)
 &rst
  ixpk= 337, nxpk= 25, iat= 200,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 202, 203,
 &end
#
#   13 SER  HA           13 SER  HB-         3.50    (#    338:25  Unique         2.39, 2.79 A)
 &rst
  ixpk= 338, nxpk= 25, iat= 200,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 202, 203,
 &end
#
#   82 THR  HA           13 SER  HB+         5.50    (#    339:25  Unique         3.43, 4.73 A)
 &rst
  ixpk= 339, nxpk= 25, iat=1254,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 202, 203,
 &end
#
#   82 THR  HA           13 SER  HB-         5.50    (#    340:25  Unique         3.43, 4.73 A)
 &rst
  ixpk= 340, nxpk= 25, iat=1254,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 202, 203,
 &end
#
#   12 ILE  HA           13 SER  HB+         5.50    (#    341:25  Unique         4.52, 5.18 A)
 &rst
  ixpk= 341, nxpk= 25, iat= 181,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 202, 203,
 &end
#
#   12 ILE  HA           13 SER  HB-         5.50    (#    342:25  Unique         4.52, 5.18 A)
 &rst
  ixpk= 342, nxpk= 25, iat= 181,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 202, 203,
 &end
#
#   14 VAL  HN           13 SER  HB+         3.50    (#    343:25  Unique         2.58, 3.43 A)
 &rst
  ixpk= 343, nxpk= 25, iat= 209,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 202, 203,
 &end
#
#   14 VAL  HN           13 SER  HB-         3.50    (#    344:25  Unique         2.58, 3.43 A)
 &rst
  ixpk= 344, nxpk= 25, iat= 209,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 202, 203,
 &end
#
#   83 LEU  HN           13 SER  HB+         5.50    (#    345:25  Unique         4.24, 5.07 A)
 &rst
  ixpk= 345, nxpk= 25, iat=1266,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 202, 203,
 &end
#
#   83 LEU  HN           13 SER  HB-         5.50    (#    346:25  Unique         4.24, 5.07 A)
 &rst
  ixpk= 346, nxpk= 25, iat=1266,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 202, 203,
 &end
#
#   13 SER  HN           13 SER  HB+         4.50    (#    347:25  Unique         2.89, 3.48 A)
 &rst
  ixpk= 347, nxpk= 25, iat= 198,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 202, 203,
 &end
#
#   13 SER  HN           13 SER  HB-         4.50    (#    348:25  Unique         2.89, 3.48 A)
 &rst
  ixpk= 348, nxpk= 25, iat= 198,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 202, 203,
 &end
#
#   15 ILE  HN           14 VAL  HA          2.80    (#    349:25  Unique         2.17, 2.21 A)
 &rst
  ixpk= 349, nxpk= 25, iat= 225, 211, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   83 LEU  HN           14 VAL  HA          3.50    (#    350:25  Unique         2.62, 2.79 A)
 &rst
  ixpk= 350, nxpk= 25, iat=1266, 211, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   14 VAL  HN           14 VAL  HA          4.50    (#    351:25  Unique         2.93, 2.98 A)
 &rst
  ixpk= 351, nxpk= 25, iat= 209, 211, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:352     14 VAL  HA          3.50    (#    352:25  Single Ambig)
 &rst
  ixpk= 352, nxpk= 25, iat=  -1, 211, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1270,1271, 213,
 &end
#
#   15 ILE  HB           14 VAL  HA          4.50    (#    353:25  Unique         3.88, 4.04 A)
 &rst
  ixpk= 353, nxpk= 25, iat= 229, 211, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   83 LEU  HB-          14 VAL  HA          4.50    (#    354:25  Unique         2.28, 3.21 A)
 &rst
  ixpk= 354, nxpk= 25, iat=  -1, 211, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1270,1271,
 &end
#
#   82 THR  MG2          14 VAL  HA          4.50    (#    355:25  Unique         4.30, 5.49 A)
 &rst
  ixpk= 355, nxpk= 25, iat=  -1, 211, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1258,1259,1260,
 &end
#
#   14 VAL  MGY          14 VAL  HA          2.80    (#    356:25  Unique         2.47, 3.17 A)
 &rst
  ixpk= 356, nxpk= 25, iat=  -1, 211, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 215, 216, 217, 219, 220, 221,
 &end
#
#   14 VAL  MGX          14 VAL  HB          2.80    (#    358:25  Unique         2.41, 2.67 A)
 &rst
  ixpk= 358, nxpk= 25, iat=  -1, 213, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 215, 216, 217, 219, 220, 221,
 &end
#
#   14 VAL  MGY          14 VAL  HB          2.80    (#    359:25  Unique         2.41, 2.67 A)
 &rst
  ixpk= 359, nxpk= 25, iat=  -1, 213, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 215, 216, 217, 219, 220, 221,
 &end
#
#    0 AMB  25-2:360     14 VAL  HB          3.50    (#    360:25  Single Ambig)
 &rst
  ixpk= 360, nxpk= 25, iat=  -1, 213, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 211, 200,
 &end
#
#   14 VAL  HN           14 VAL  HB          2.80    (#    361:25  Unique         2.45, 2.54 A)
 &rst
  ixpk= 361, nxpk= 25, iat= 209, 213, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   15 ILE  HN           14 VAL  HB          4.50    (#    362:25  Unique         3.93, 4.14 A)
 &rst
  ixpk= 362, nxpk= 25, iat= 225, 213, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  137 GLU  HN           14 VAL  HB          5.50    (#    363:25  Unique         3.50, 3.90 A)
 &rst
  ixpk= 363, nxpk= 25, iat=2068, 213, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   15 ILE  HN           15 ILE  HA          3.50    (#    364:25  Unique         2.97, 2.97 A)
 &rst
  ixpk= 364, nxpk= 25, iat= 225, 227, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   16 HIS  HN           15 ILE  HA          2.80    (#    365:25  Unique         2.13, 2.20 A)
 &rst
  ixpk= 365, nxpk= 25, iat= 244, 227, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   17 SER  HN           15 ILE  HA          5.50    (#    366:25  Unique         3.89, 4.05 A)
 &rst
  ixpk= 366, nxpk= 25, iat= 261, 227, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   16 HIS  HB+          15 ILE  HA          4.50    (#    367:25  Unique         4.21, 4.91 A)
 &rst
  ixpk= 367, nxpk= 25, iat=  -1, 227, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 248, 249,
 &end
#
#   15 ILE  HB           15 ILE  HA          3.50    (#    368:25  Unique         3.01, 3.03 A)
 &rst
  ixpk= 368, nxpk= 25, iat= 229, 227, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   15 ILE  HG1-         15 ILE  HA          4.50    (#    369:25  Unique         2.20, 2.71 A)
 &rst
  ixpk= 369, nxpk= 25, iat=  -1, 227, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 235, 236,
 &end
#
#   15 ILE  HG1+         15 ILE  HA          3.50    (#    370:25  Unique         2.20, 2.71 A)
 &rst
  ixpk= 370, nxpk= 25, iat=  -1, 227, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 235, 236,
 &end
#
#   15 ILE  QG2          15 ILE  HA          2.80    (#    371:25  Unique         2.68, 3.40 A)
 &rst
  ixpk= 371, nxpk= 25, iat=  -1, 227, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 231, 232, 233,
 &end
#
#   15 ILE  QD1          15 ILE  HA          4.50    (#    372:25  Unique         2.45, 4.40 A)
 &rst
  ixpk= 372, nxpk= 25, iat=  -1, 227, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 238, 239, 240,
 &end
#
#   15 ILE  QD1          15 ILE  HB          3.50    (#    373:25  Unique         2.67, 3.39 A)
 &rst
  ixpk= 373, nxpk= 25, iat=  -1, 229, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 238, 239, 240,
 &end
#
#   15 ILE  QG2          15 ILE  HB          2.80    (#    374:25  Unique         2.32, 2.62 A)
 &rst
  ixpk= 374, nxpk= 25, iat=  -1, 229, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 231, 232, 233,
 &end
#
#   84 LEU  MDX          15 ILE  HB          2.80    (#    375:25  Unique         2.11, 3.86 A)
 &rst
  ixpk= 375, nxpk= 25, iat=  -1, 229, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1294,1295,1296,1298,1299,1300,
 &end
#
#   15 ILE  HG1+         15 ILE  HB          2.80    (#    376:25  Unique         2.29, 2.67 A)
 &rst
  ixpk= 376, nxpk= 25, iat=  -1, 229, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 235, 236,
 &end
#
#   15 ILE  HG1-         15 ILE  HB          2.80    (#    377:25  Unique         2.29, 2.67 A)
 &rst
  ixpk= 377, nxpk= 25, iat=  -1, 229, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 235, 236,
 &end
#
#   15 ILE  HA           15 ILE  HB          3.50    (#    378:25  Unique         3.01, 3.03 A)
 &rst
  ixpk= 378, nxpk= 25, iat= 227, 229, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   14 VAL  HA           15 ILE  HB          4.50    (#    379:25  Unique         3.88, 4.04 A)
 &rst
  ixpk= 379, nxpk= 25, iat= 211, 229, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   84 LEU  HA           15 ILE  HB          4.50    (#    380:25  Unique         2.61, 3.11 A)
 &rst
  ixpk= 380, nxpk= 25, iat=1287, 229, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   17 SER  HN           15 ILE  HB          5.50    (#    381:25  Unique         4.24, 4.56 A)
 &rst
  ixpk= 381, nxpk= 25, iat= 261, 229, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   16 HIS  HN           15 ILE  HB          4.50    (#    382:25  Unique         4.17, 4.33 A)
 &rst
  ixpk= 382, nxpk= 25, iat= 244, 229, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   15 ILE  HN           15 ILE  HG1+        4.50    (#    384:25  Unique         3.14, 3.76 A)
 &rst
  ixpk= 384, nxpk= 25, iat= 225,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 235, 236,
 &end
#
#   15 ILE  HN           15 ILE  HG1-        4.50    (#    385:25  Unique         3.14, 3.76 A)
 &rst
  ixpk= 385, nxpk= 25, iat= 225,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 235, 236,
 &end
#
#    3 LEU  HN            3 LEU  HG          4.50    (#    386:25  Unique         2.15, 3.72 A)
 &rst
  ixpk= 386, nxpk= 25, iat=  45,  52, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:387      0 AMB  25-1:387    5.50    (#    387:25  Double Ambig)
 &rst
  ixpk= 387, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1266,  64,
 igr2= 235, 236,  52,
 &end
#
#   15 ILE  HA           15 ILE  HG1-        4.50    (#    388:25  Unique         2.20, 2.71 A)
 &rst
  ixpk= 388, nxpk= 25, iat= 227,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 235, 236,
 &end
#
#   15 ILE  HA           15 ILE  HG1+        3.50    (#    389:25  Unique         2.20, 2.71 A)
 &rst
  ixpk= 389, nxpk= 25, iat= 227,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 235, 236,
 &end
#
#   15 ILE  QD1          15 ILE  HG1-        2.80    (#    390:25  Unique         2.39, 2.67 A)
 &rst
  ixpk= 390, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 238, 239, 240,
 igr2= 235, 236,
 &end
#
#   15 ILE  QD1          15 ILE  HG1+        2.80    (#    391:25  Unique         2.39, 2.67 A)
 &rst
  ixpk= 391, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 238, 239, 240,
 igr2= 235, 236,
 &end
#
#    0 AMB  25-2:394      3 LEU  HG          5.50    (#    394:25  Single Ambig)
 &rst
  ixpk= 394, nxpk= 25, iat=  -1,  52, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2236,2201,
 &end
#
#   15 ILE  HN           15 ILE  QD1         5.50    (#    395:25  Unique         4.75, 5.38 A)
 &rst
  ixpk= 395, nxpk= 25, iat= 225,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 238, 239, 240,
 &end
#
#   16 HIS  HN           15 ILE  QD1         5.50    (#    396:25  Unique         4.13, 5.76 A)
 &rst
  ixpk= 396, nxpk= 25, iat= 244,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 238, 239, 240,
 &end
#
#   27 PHE  HN           15 ILE  QD1         5.50    (#    397:25  Unique         5.57, 6.18 A)
 &rst
  ixpk= 397, nxpk= 25, iat= 413,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 238, 239, 240,
 &end
#
#    0 AMB  25-2:398     15 ILE  QD1         5.50    (#    398:25  Single Ambig)
 &rst
  ixpk= 398, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 209,1304,
 igr2= 238, 239, 240,
 &end
#
#   27 PHE  HD           15 ILE  QD1         4.50    (#    399:25  Unique         2.81, 3.91 A)
 &rst
  ixpk= 399, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 421, 429,
 igr2= 238, 239, 240,
 &end
#
#   17 SER  HN           15 ILE  QD1         4.50    (#    400:25  Unique         4.89, 5.75 A)
 &rst
  ixpk= 400, nxpk= 25, iat= 261,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 238, 239, 240,
 &end
#
#    0 AMB  25-2:404     15 ILE  QD1         5.50    (#    404:25  Single Ambig)
 &rst
  ixpk= 404, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1287,1254,
 igr2= 238, 239, 240,
 &end
#
#    0 AMB  25-2:405     15 ILE  QD1         5.50    (#    405:25  Single Ambig)
 &rst
  ixpk= 405, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 211, 200,
 igr2= 238, 239, 240,
 &end
#
#    0 AMB  25-2:406     15 ILE  QD1         4.50    (#    406:25  Single Ambig)
 &rst
  ixpk= 406, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 415, 435, 263,
 igr2= 238, 239, 240,
 &end
#
#   15 ILE  HA           15 ILE  QD1         4.50    (#    407:25  Unique         2.45, 4.40 A)
 &rst
  ixpk= 407, nxpk= 25, iat= 227,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 238, 239, 240,
 &end
#
#    0 AMB  25-2:408     15 ILE  QD1         5.50    (#    408:25  Single Ambig)
 &rst
  ixpk= 408, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 374,1256,
 igr2= 238, 239, 240,
 &end
#
#   13 SER  HB+          15 ILE  QD1         4.50    (#    409:25  Unique         3.34, 4.68 A)
 &rst
  ixpk= 409, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 202, 203,
 igr2= 238, 239, 240,
 &end
#
#   13 SER  HB-          15 ILE  QD1         4.50    (#    411:25  Unique         3.34, 4.68 A)
 &rst
  ixpk= 411, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 202, 203,
 igr2= 238, 239, 240,
 &end
#
#   27 PHE  HB-          15 ILE  QD1         3.50    (#    412:25  Unique         2.20, 3.80 A)
 &rst
  ixpk= 412, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 417, 418,
 igr2= 238, 239, 240,
 &end
#
#    0 AMB  25-2:413     15 ILE  QD1         5.50    (#    413:25  Single Ambig)
 &rst
  ixpk= 413, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 364, 365, 213,
 igr2= 238, 239, 240,
 &end
#
#   23 GLU  HG+          15 ILE  QD1         4.50    (#    414:25  Unique         5.40, 6.35 A)
 &rst
  ixpk= 414, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 364, 365,
 igr2= 238, 239, 240,
 &end
#
#   15 ILE  HB           15 ILE  QD1         3.50    (#    415:25  Unique         2.67, 3.39 A)
 &rst
  ixpk= 415, nxpk= 25, iat= 229,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 238, 239, 240,
 &end
#
#   15 ILE  HG1-         15 ILE  QD1         2.80    (#    416:25  Unique         2.39, 2.67 A)
 &rst
  ixpk= 416, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 235, 236,
 igr2= 238, 239, 240,
 &end
#
#   15 ILE  HG1+         15 ILE  QD1         2.80    (#    417:25  Unique         2.39, 2.67 A)
 &rst
  ixpk= 417, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 235, 236,
 igr2= 238, 239, 240,
 &end
#
#   15 ILE  QG2          15 ILE  QD1         2.80    (#    418:25  Unique         2.22, 3.49 A)
 &rst
  ixpk= 418, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 231, 232, 233,
 igr2= 238, 239, 240,
 &end
#
#   15 ILE  QD1          15 ILE  QG2         2.80    (#    419:25  Unique         2.22, 3.49 A)
 &rst
  ixpk= 419, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 238, 239, 240,
 igr2= 231, 232, 233,
 &end
#
#   15 ILE  HB           15 ILE  QG2         2.80    (#    420:25  Unique         2.32, 2.62 A)
 &rst
  ixpk= 420, nxpk= 25, iat= 229,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 231, 232, 233,
 &end
#
#   16 HIS  HB+          15 ILE  QG2         4.50    (#    421:25  Unique         4.25, 5.63 A)
 &rst
  ixpk= 421, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 248, 249,
 igr2= 231, 232, 233,
 &end
#
#   15 ILE  HA           15 ILE  QG2         3.50    (#    422:25  Unique         2.68, 3.40 A)
 &rst
  ixpk= 422, nxpk= 25, iat= 227,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 231, 232, 233,
 &end
#
#   17 SER  HN           15 ILE  QG2         2.80    (#    423:25  Unique         1.88, 2.79 A)
 &rst
  ixpk= 423, nxpk= 25, iat= 261,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 231, 232, 233,
 &end
#
#   16 HIS  HN           15 ILE  QG2         3.50    (#    425:25  Unique         2.77, 3.59 A)
 &rst
  ixpk= 425, nxpk= 25, iat= 244,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 231, 232, 233,
 &end
#
#   15 ILE  HN           15 ILE  QG2         4.50    (#    426:25  Unique         3.81, 4.46 A)
 &rst
  ixpk= 426, nxpk= 25, iat= 225,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 231, 232, 233,
 &end
#
#   16 HIS  HN           16 HIS  HA          3.50    (#    427:25  Unique         2.84, 2.88 A)
 &rst
  ixpk= 427, nxpk= 25, iat= 244, 246, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   85 GLU  HN           16 HIS  HA          3.50    (#    428:25  Unique         2.89, 3.24 A)
 &rst
  ixpk= 428, nxpk= 25, iat=1304, 246, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   86 GLN  HN           16 HIS  HA          4.50    (#    429:25  Unique         3.64, 4.06 A)
 &rst
  ixpk= 429, nxpk= 25, iat=1319, 246, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   84 LEU  HA           16 HIS  HA          5.50    (#    431:25  Unique         4.27, 4.65 A)
 &rst
  ixpk= 431, nxpk= 25, iat=1287, 246, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   16 HIS  HB+          16 HIS  HA          2.80    (#    433:25  Unique         2.33, 2.70 A)
 &rst
  ixpk= 433, nxpk= 25, iat=  -1, 246, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 248, 249,
 &end
#
#   85 GLU  HB+          16 HIS  HA          2.80    (#    435:25  Unique         2.08, 3.09 A)
 &rst
  ixpk= 435, nxpk= 25, iat=  -1, 246, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1308,1309,
 &end
#
#   85 GLU  HG+          16 HIS  HA          3.50    (#    437:25  Unique         2.83, 3.84 A)
 &rst
  ixpk= 437, nxpk= 25, iat=  -1, 246, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1311,1312,
 &end
#
#    0 AMB  25-2:438     16 HIS  HA          2.80    (#    438:25  Single Ambig)
 &rst
  ixpk= 438, nxpk= 25, iat=  -1, 246, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1308,1309,1311,1312,
 &end
#
#   15 ILE  QG2          16 HIS  HB+         4.50    (#    439:25  Unique         4.25, 5.63 A)
 &rst
  ixpk= 439, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 231, 232, 233,
 igr2= 248, 249,
 &end
#
#    0 AMB  25-2:441      0 AMB  25-1:441    5.50    (#    441:25  Double Ambig)
 &rst
  ixpk= 441, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1=1308,1309,1311,1312,
 igr2= 248, 249, 248, 249,
 &end
#
#   85 GLU  HG+          16 HIS  HB+         5.50    (#    442:25  Unique         4.52, 6.29 A)
 &rst
  ixpk= 442, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1311,1312,
 igr2= 248, 249,
 &end
#
#   85 GLU  HB+          16 HIS  HB+         5.50    (#    443:25  Unique         3.81, 5.37 A)
 &rst
  ixpk= 443, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1308,1309,
 igr2= 248, 249,
 &end
#
#   17 SER  HB-          16 HIS  HB+         4.50    (#    444:25  Unique         3.73, 5.43 A)
 &rst
  ixpk= 444, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 265, 266,
 igr2= 248, 249,
 &end
#
#   16 HIS  HA           16 HIS  HB+         2.80    (#    445:25  Unique         2.33, 2.70 A)
 &rst
  ixpk= 445, nxpk= 25, iat= 246,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 248, 249,
 &end
#
#   17 SER  HN           16 HIS  HB+         4.50    (#    449:25  Unique         2.45, 3.42 A)
 &rst
  ixpk= 449, nxpk= 25, iat= 261,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 248, 249,
 &end
#
#   85 GLU  HN           16 HIS  HB+         5.50    (#    450:25  Unique         5.38, 5.73 A)
 &rst
  ixpk= 450, nxpk= 25, iat=1304,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 248, 249,
 &end
#
#   16 HIS  HN           16 HIS  HB+         2.80    (#    451:25  Unique         2.35, 2.81 A)
 &rst
  ixpk= 451, nxpk= 25, iat= 244,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 248, 249,
 &end
#
#   18 ALA  HN           17 SER  HA          2.80    (#    452:25  Unique         2.27, 2.42 A)
 &rst
  ixpk= 452, nxpk= 25, iat= 272, 263, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   86 GLN  HN           17 SER  HA          4.50    (#    454:25  Unique         3.05, 3.40 A)
 &rst
  ixpk= 454, nxpk= 25, iat=1319, 263, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   17 SER  HN           17 SER  HA          3.50    (#    455:25  Unique         2.81, 2.87 A)
 &rst
  ixpk= 455, nxpk= 25, iat= 261, 263, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   17 SER  HB+          17 SER  HA          2.80    (#    456:25  Unique         2.22, 2.60 A)
 &rst
  ixpk= 456, nxpk= 25, iat=  -1, 263, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 265, 266,
 &end
#
#   17 SER  HB-          17 SER  HA          2.80    (#    457:25  Unique         2.22, 2.60 A)
 &rst
  ixpk= 457, nxpk= 25, iat=  -1, 263, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 265, 266,
 &end
#
#   86 GLN  HG+          17 SER  HA          4.50    (#    459:25  Unique         4.26, 5.13 A)
 &rst
  ixpk= 459, nxpk= 25, iat=  -1, 263, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1326,1327,
 &end
#
#   86 GLN  HB-          17 SER  HA          4.50    (#    460:25  Unique         2.75, 3.92 A)
 &rst
  ixpk= 460, nxpk= 25, iat=  -1, 263, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1323,1324,
 &end
#
#   86 GLN  HB+          17 SER  HA          4.50    (#    461:25  Unique         2.75, 3.92 A)
 &rst
  ixpk= 461, nxpk= 25, iat=  -1, 263, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1323,1324,
 &end
#
#   84 LEU  HB+          17 SER  HA          4.50    (#    462:25  Unique         2.84, 4.84 A)
 &rst
  ixpk= 462, nxpk= 25, iat=  -1, 263, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1289,1290,
 &end
#
#   18 ALA  MB           17 SER  HA          4.50    (#    463:25  Unique         4.45, 5.12 A)
 &rst
  ixpk= 463, nxpk= 25, iat=  -1, 263, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 276, 277, 278,
 &end
#
#   84 LEU  MDX          17 SER  HA          3.50    (#    466:25  Unique         2.19, 4.60 A)
 &rst
  ixpk= 466, nxpk= 25, iat=  -1, 263, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1294,1295,1296,1298,1299,1300,
 &end
#
#   18 ALA  HA           17 SER  HB+         4.50    (#    477:25  Unique         4.28, 4.99 A)
 &rst
  ixpk= 477, nxpk= 25, iat= 274,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 265, 266,
 &end
#
#   17 SER  HN           17 SER  HB-         4.50    (#    479:25  Unique         3.03, 3.71 A)
 &rst
  ixpk= 479, nxpk= 25, iat= 261,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 265, 266,
 &end
#
#   17 SER  HN           17 SER  HB+         5.50    (#    480:25  Unique         3.03, 3.71 A)
 &rst
  ixpk= 480, nxpk= 25, iat= 261,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 265, 266,
 &end
#
#   18 ALA  HN           17 SER  HB+         3.50    (#    486:25  Unique         2.57, 3.27 A)
 &rst
  ixpk= 486, nxpk= 25, iat= 272,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 265, 266,
 &end
#
#   18 ALA  HN           17 SER  HB-         4.50    (#    487:25  Unique         2.57, 3.27 A)
 &rst
  ixpk= 487, nxpk= 25, iat= 272,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 265, 266,
 &end
#
#   19 LYS  HN           18 ALA  HA          2.80    (#    488:25  Unique         2.22, 2.34 A)
 &rst
  ixpk= 488, nxpk= 25, iat= 282, 274, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   18 ALA  HN           18 ALA  HA          3.50    (#    489:25  Unique         2.95, 2.98 A)
 &rst
  ixpk= 489, nxpk= 25, iat= 272, 274, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   27 PHE  HD           18 ALA  HA          3.50    (#    491:25  Unique         2.93, 5.18 A)
 &rst
  ixpk= 491, nxpk= 25, iat=  -1, 274, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 421, 429,
 &end
#
#   20 ASP  HN           18 ALA  HA          4.50    (#    492:25  Unique         4.09, 4.32 A)
 &rst
  ixpk= 492, nxpk= 25, iat= 304, 274, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:495     18 ALA  HA          4.50    (#    495:25  Single Ambig)
 &rst
  ixpk= 495, nxpk= 25, iat=  -1, 274, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 284, 374,
 &end
#
#    0 AMB  25-2:496     18 ALA  HA          4.50    (#    496:25  Single Ambig)
 &rst
  ixpk= 496, nxpk= 25, iat=  -1, 274, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 364, 365, 361, 362,
 &end
#
#   19 LYS  HB+          18 ALA  HA          4.50    (#    497:25  Unique         4.14, 4.64 A)
 &rst
  ixpk= 497, nxpk= 25, iat=  -1, 274, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 286, 287,
 &end
#
#    0 AMB  25-2:498     18 ALA  HA          4.50    (#    498:25  Single Ambig)
 &rst
  ixpk= 498, nxpk= 25, iat=  -1, 274, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 364, 365, 286, 287,
 &end
#
#   18 ALA  MB           18 ALA  HA          2.80    (#    499:25  Unique         2.35, 2.65 A)
 &rst
  ixpk= 499, nxpk= 25, iat=  -1, 274, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 276, 277, 278,
 &end
#
#   84 LEU  HG           18 ALA  HA          5.50    (#    500:25  Unique         4.26, 5.12 A)
 &rst
  ixpk= 500, nxpk= 25, iat=1292, 274, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   88 VAL  MGY          18 ALA  HA          5.50    (#    501:25  Unique         4.05, 5.74 A)
 &rst
  ixpk= 501, nxpk= 25, iat=  -1, 274, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1349,1350,1351,1353,1354,1355,
 &end
#
#   84 LEU  MDX          18 ALA  HA          5.50    (#    502:25  Unique         3.33, 5.36 A)
 &rst
  ixpk= 502, nxpk= 25, iat=  -1, 274, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1294,1295,1296,1298,1299,1300,
 &end
#
#   15 ILE  QG2          18 ALA  HA          5.50    (#    503:25  Unique         2.95, 3.89 A)
 &rst
  ixpk= 503, nxpk= 25, iat=  -1, 274, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 231, 232, 233,
 &end
#
#   15 ILE  QG2          18 ALA  MB          4.50    (#    504:25  Unique         2.66, 5.08 A)
 &rst
  ixpk= 504, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 231, 232, 233,
 igr2= 276, 277, 278,
 &end
#
#   84 LEU  MDX          18 ALA  MB          3.50    (#    505:25  Unique         2.14, 4.67 A)
 &rst
  ixpk= 505, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1294,1295,1296,1298,1299,1300,
 igr2= 276, 277, 278,
 &end
#
#   88 VAL  MGY          18 ALA  MB          2.80    (#    506:25  Unique         2.10, 4.45 A)
 &rst
  ixpk= 506, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1349,1350,1351,1353,1354,1355,
 igr2= 276, 277, 278,
 &end
#
#   84 LEU  HG           18 ALA  MB          3.50    (#    507:25  Unique         2.92, 4.33 A)
 &rst
  ixpk= 507, nxpk= 25, iat=1292,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 276, 277, 278,
 &end
#
#   24 ALA  MB           18 ALA  MB          2.80    (#    508:25  Unique         2.27, 3.70 A)
 &rst
  ixpk= 508, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 376, 377, 378,
 igr2= 276, 277, 278,
 &end
#
#    0 AMB  25-2:509     18 ALA  MB          2.80    (#    509:25  Single Ambig)
 &rst
  ixpk= 509, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 361, 362, 364, 365,
 igr2= 276, 277, 278,
 &end
#
#   88 VAL  HB           18 ALA  MB          4.50    (#    510:25  Unique         2.19, 3.83 A)
 &rst
  ixpk= 510, nxpk= 25, iat=1347,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 276, 277, 278,
 &end
#
#   23 GLU  HA           18 ALA  MB          5.50    (#    511:25  Unique         4.58, 5.79 A)
 &rst
  ixpk= 511, nxpk= 25, iat= 359,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 276, 277, 278,
 &end
#
#   24 ALA  HA           18 ALA  MB          3.50    (#    512:25  Unique         2.40, 3.00 A)
 &rst
  ixpk= 512, nxpk= 25, iat= 374,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 276, 277, 278,
 &end
#
#    0 AMB  25-2:513     18 ALA  MB          4.50    (#    513:25  Single Ambig)
 &rst
  ixpk= 513, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 263, 415,
 igr2= 276, 277, 278,
 &end
#
#   18 ALA  HA           18 ALA  MB          2.80    (#    514:25  Unique         2.35, 2.65 A)
 &rst
  ixpk= 514, nxpk= 25, iat= 274,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 276, 277, 278,
 &end
#
#   20 ASP  HN           18 ALA  MB          2.80    (#    517:25  Unique         2.61, 3.60 A)
 &rst
  ixpk= 517, nxpk= 25, iat= 304,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 276, 277, 278,
 &end
#
#   24 ALA  HN           18 ALA  MB          3.50    (#    519:25  Unique         2.89, 3.66 A)
 &rst
  ixpk= 519, nxpk= 25, iat= 372,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 276, 277, 278,
 &end
#
#    0 AMB  25-2:520     18 ALA  MB          4.50    (#    520:25  Single Ambig)
 &rst
  ixpk= 520, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 357, 382, 401,
 igr2= 276, 277, 278,
 &end
#
#   18 ALA  HN           18 ALA  MB          3.50    (#    521:25  Unique         2.42, 3.11 A)
 &rst
  ixpk= 521, nxpk= 25, iat= 272,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 276, 277, 278,
 &end
#
#   19 LYS  HN           18 ALA  MB          3.50    (#    522:25  Unique         2.43, 3.36 A)
 &rst
  ixpk= 522, nxpk= 25, iat= 282,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 276, 277, 278,
 &end
#
#   19 LYS  HN           19 LYS  HA          3.50    (#    523:25  Unique         2.79, 2.82 A)
 &rst
  ixpk= 523, nxpk= 25, iat= 282, 284, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   20 ASP  HN           19 LYS  HA          3.50    (#    524:25  Unique         3.52, 3.55 A)
 &rst
  ixpk= 524, nxpk= 25, iat= 304, 284, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   18 ALA  HA           19 LYS  HA          4.50    (#    525:25  Unique         4.21, 4.32 A)
 &rst
  ixpk= 525, nxpk= 25, iat= 274, 284, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   19 LYS  HG+          19 LYS  HA          2.80    (#    527:25  Unique         2.28, 3.13 A)
 &rst
  ixpk= 527, nxpk= 25, iat=  -1, 284, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 289, 290,
 &end
#
#   19 LYS  HG+          19 LYS  HB+         3.50    (#    528:25  Unique         2.27, 2.66 A)
 &rst
  ixpk= 528, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 289, 290,
 igr2= 286, 287,
 &end
#
#   19 LYS  HG+          19 LYS  HB-         3.50    (#    529:25  Unique         2.27, 2.66 A)
 &rst
  ixpk= 529, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 289, 290,
 igr2= 286, 287,
 &end
#
#   19 LYS  HE+          19 LYS  HB+         5.50    (#    532:25  Unique         2.12, 4.32 A)
 &rst
  ixpk= 532, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 295, 296,
 igr2= 286, 287,
 &end
#
#   19 LYS  HE+          19 LYS  HB-         5.50    (#    533:25  Unique         2.12, 4.32 A)
 &rst
  ixpk= 533, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 295, 296,
 igr2= 286, 287,
 &end
#
#   19 LYS  HA           19 LYS  HB+         2.80    (#    534:25  Unique         2.45, 2.79 A)
 &rst
  ixpk= 534, nxpk= 25, iat= 284,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 286, 287,
 &end
#
#   19 LYS  HA           19 LYS  HB-         3.50    (#    535:25  Unique         2.45, 2.79 A)
 &rst
  ixpk= 535, nxpk= 25, iat= 284,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 286, 287,
 &end
#
#   18 ALA  HA           19 LYS  HB+         4.50    (#    536:25  Unique         4.14, 4.64 A)
 &rst
  ixpk= 536, nxpk= 25, iat= 274,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 286, 287,
 &end
#
#   18 ALA  HA           19 LYS  HB-         5.50    (#    537:25  Unique         4.14, 4.64 A)
 &rst
  ixpk= 537, nxpk= 25, iat= 274,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 286, 287,
 &end
#
#   37 TYR  HD           35 LYS  HB-         3.50    (#    538:25  Unique         2.07, 4.75 A)
 &rst
  ixpk= 538, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 582, 591,
 igr2= 542, 543,
 &end
#
#   35 LYS  HN           35 LYS  HB-         3.50    (#    539:25  Unique         2.58, 3.33 A)
 &rst
  ixpk= 539, nxpk= 25, iat= 538,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 542, 543,
 &end
#
#   20 ASP  HN           19 LYS  HB+         4.50    (#    540:25  Unique         2.53, 3.30 A)
 &rst
  ixpk= 540, nxpk= 25, iat= 304,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 286, 287,
 &end
#
#   20 ASP  HN           19 LYS  HB-         4.50    (#    541:25  Unique         2.53, 3.30 A)
 &rst
  ixpk= 541, nxpk= 25, iat= 304,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 286, 287,
 &end
#
#   19 LYS  HN           19 LYS  HB+         3.50    (#    542:25  Unique         2.03, 2.43 A)
 &rst
  ixpk= 542, nxpk= 25, iat= 282,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 286, 287,
 &end
#
#   19 LYS  HN           19 LYS  HB-         3.50    (#    543:25  Unique         2.03, 2.43 A)
 &rst
  ixpk= 543, nxpk= 25, iat= 282,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 286, 287,
 &end
#
#   19 LYS  HN           19 LYS  HG-         4.50    (#    544:25  Unique         2.47, 4.37 A)
 &rst
  ixpk= 544, nxpk= 25, iat= 282,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 289, 290,
 &end
#
#   19 LYS  HN           19 LYS  HG+         4.50    (#    545:25  Unique         2.47, 4.37 A)
 &rst
  ixpk= 545, nxpk= 25, iat= 282,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 289, 290,
 &end
#
#   19 LYS  HA           19 LYS  HG+         4.50    (#    547:25  Unique         2.28, 3.13 A)
 &rst
  ixpk= 547, nxpk= 25, iat= 284,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 289, 290,
 &end
#
#   19 LYS  HE+          19 LYS  HG+         3.50    (#    548:25  Unique         2.37, 3.13 A)
 &rst
  ixpk= 548, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 295, 296,
 igr2= 289, 290,
 &end
#
#    0 AMB  25-2:550      0 AMB  25-1:550    2.80    (#    550:25  Double Ambig)
 &rst
  ixpk= 550, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=2087,2088, 364, 365,
 igr2=2090,2091, 289, 290,
 &end
#
#   19 LYS  HA           19 LYS  HD+         3.50    (#    551:25  Unique         2.18, 3.47 A)
 &rst
  ixpk= 551, nxpk= 25, iat= 284,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 292, 293,
 &end
#
#   19 LYS  HE+          19 LYS  HD+         2.80    (#    552:25  Unique         2.35, 2.70 A)
 &rst
  ixpk= 552, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 295, 296,
 igr2= 292, 293,
 &end
#
#   19 LYS  HG+          19 LYS  HD+         2.80    (#    553:25  Unique         2.28, 2.71 A)
 &rst
  ixpk= 553, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 289, 290,
 igr2= 292, 293,
 &end
#
#   19 LYS  HG+          19 LYS  HE+         3.50    (#    554:25  Unique         2.37, 3.13 A)
 &rst
  ixpk= 554, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 289, 290,
 igr2= 295, 296,
 &end
#
#   19 LYS  HG-          19 LYS  HE+         2.80    (#    555:25  Unique         2.37, 3.13 A)
 &rst
  ixpk= 555, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 289, 290,
 igr2= 295, 296,
 &end
#
#   19 LYS  HD+          19 LYS  HE+         2.80    (#    556:25  Unique         2.35, 2.70 A)
 &rst
  ixpk= 556, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 292, 293,
 igr2= 295, 296,
 &end
#
#   23 GLU  HB+          19 LYS  HE+         4.50    (#    557:25  Unique         2.15, 6.33 A)
 &rst
  ixpk= 557, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 361, 362,
 igr2= 295, 296,
 &end
#
#   21 TRP  HN           20 ASP  HA          2.80    (#    559:25  Unique         2.51, 2.65 A)
 &rst
  ixpk= 559, nxpk= 25, iat= 316, 306, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   20 ASP  HN           20 ASP  HA          3.50    (#    560:25  Unique         2.81, 2.85 A)
 &rst
  ixpk= 560, nxpk= 25, iat= 304, 306, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   21 TRP  HD1          20 ASP  HA          5.50    (#    561:25  Unique         4.07, 4.41 A)
 &rst
  ixpk= 561, nxpk= 25, iat= 324, 306, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   22 GLN  HN           20 ASP  HA          5.50    (#    562:25  Unique         4.27, 4.54 A)
 &rst
  ixpk= 562, nxpk= 25, iat= 340, 306, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   21 TRP  HA           20 ASP  HA          5.50    (#    564:25  Unique         4.20, 4.40 A)
 &rst
  ixpk= 564, nxpk= 25, iat= 318, 306, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   20 ASP  HB-          20 ASP  HA          2.80    (#    565:25  Unique         2.26, 2.70 A)
 &rst
  ixpk= 565, nxpk= 25, iat=  -1, 306, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 308, 309,
 &end
#
#   20 ASP  HB+          20 ASP  HA          2.80    (#    566:25  Unique         2.26, 2.70 A)
 &rst
  ixpk= 566, nxpk= 25, iat=  -1, 306, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 308, 309,
 &end
#
#   21 TRP  HB+          20 ASP  HA          5.50    (#    567:25  Unique         4.88, 5.53 A)
 &rst
  ixpk= 567, nxpk= 25, iat=  -1, 306, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 320, 321,
 &end
#
#   88 VAL  HB           20 ASP  HA          5.50    (#    568:25  Unique         3.58, 4.88 A)
 &rst
  ixpk= 568, nxpk= 25, iat=1347, 306, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  25-2:569     20 ASP  HA          5.50    (#    569:25  Single Ambig)
 &rst
  ixpk= 569, nxpk= 25, iat=  -1, 306, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 361, 362, 364, 365,
 &end
#
#   19 LYS  HB-          20 ASP  HA          5.50    (#    570:25  Unique         4.80, 5.54 A)
 &rst
  ixpk= 570, nxpk= 25, iat=  -1, 306, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 286, 287,
 &end
#
#    0 AMB  25-2:571     20 ASP  HA          5.50    (#    571:25  Single Ambig)
 &rst
  ixpk= 571, nxpk= 25, iat=  -1, 306, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 320, 321, 289, 290,
 &end
#
#   18 ALA  MB           20 ASP  HA          5.50    (#    572:25  Unique         3.49, 5.36 A)
 &rst
  ixpk= 572, nxpk= 25, iat=  -1, 306, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 276, 277, 278,
 &end
#
#   88 VAL  MGY          20 ASP  HA          3.50    (#    573:25  Unique         2.51, 4.36 A)
 &rst
  ixpk= 573, nxpk= 25, iat=  -1, 306, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1349,1350,1351,1353,1354,1355,
 &end
#
#   20 ASP  HA           20 ASP  HB-         2.80    (#    575:25  Unique         2.26, 2.70 A)
 &rst
  ixpk= 575, nxpk= 25, iat= 306,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 308, 309,
 &end
#
#   20 ASP  HA           20 ASP  HB+         2.80    (#    576:25  Unique         2.26, 2.70 A)
 &rst
  ixpk= 576, nxpk= 25, iat= 306,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 308, 309,
 &end
#
#   22 GLN  HN           20 ASP  HB-         4.50    (#    577:25  Unique         2.53, 3.63 A)
 &rst
  ixpk= 577, nxpk= 25, iat= 340,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 308, 309,
 &end
#
#   22 GLN  HN           20 ASP  HB+         4.50    (#    578:25  Unique         2.53, 3.63 A)
 &rst
  ixpk= 578, nxpk= 25, iat= 340,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 308, 309,
 &end
#
#   20 ASP  HN           20 ASP  HB-         4.50    (#    579:25  Unique         3.03, 3.44 A)
 &rst
  ixpk= 579, nxpk= 25, iat= 304,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 308, 309,
 &end
#
#   20 ASP  HN           20 ASP  HB+         4.50    (#    580:25  Unique         3.03, 3.44 A)
 &rst
  ixpk= 580, nxpk= 25, iat= 304,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 308, 309,
 &end
#
#   21 TRP  HN           20 ASP  HB-         3.50    (#    582:25  Unique         2.21, 3.28 A)
 &rst
  ixpk= 582, nxpk= 25, iat= 316,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 308, 309,
 &end
#
#   21 TRP  HN           20 ASP  HB+         3.50    (#    583:25  Unique         2.21, 3.28 A)
 &rst
  ixpk= 583, nxpk= 25, iat= 316,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 308, 309,
 &end
#
#   21 TRP  HN           21 TRP  HA          3.50    (#    584:25  Unique         2.72, 2.85 A)
 &rst
  ixpk= 584, nxpk= 25, iat= 316, 318, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:585     21 TRP  HA          4.50    (#    585:25  Single Ambig)
 &rst
  ixpk= 585, nxpk= 25, iat=  -1, 318, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 382, 357,
 &end
#
#   24 ALA  HN           21 TRP  HA          4.50    (#    586:25  Unique         2.78, 2.95 A)
 &rst
  ixpk= 586, nxpk= 25, iat= 372, 318, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   21 TRP  HD1          21 TRP  HA          4.50    (#    587:25  Unique         4.12, 4.25 A)
 &rst
  ixpk= 587, nxpk= 25, iat= 324, 318, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   20 ASP  HN           21 TRP  HA          5.50    (#    588:25  Unique         4.57, 4.66 A)
 &rst
  ixpk= 588, nxpk= 25, iat= 304, 318, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   22 GLN  HN           21 TRP  HA          4.50    (#    591:25  Unique         3.56, 3.59 A)
 &rst
  ixpk= 591, nxpk= 25, iat= 340, 318, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:592     21 TRP  HA          5.50    (#    592:25  Single Ambig)
 &rst
  ixpk= 592, nxpk= 25, iat=  -1, 318, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 306,1382,
 &end
#
#   20 ASP  HB+          21 TRP  HA          4.50    (#    593:25  Unique         4.66, 5.35 A)
 &rst
  ixpk= 593, nxpk= 25, iat=  -1, 318, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 308, 309,
 &end
#
#   21 TRP  HB+          21 TRP  HA          2.80    (#    594:25  Unique         2.21, 2.44 A)
 &rst
  ixpk= 594, nxpk= 25, iat=  -1, 318, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 320, 321,
 &end
#
#   24 ALA  MB           21 TRP  HA          2.80    (#    595:25  Unique         2.16, 2.83 A)
 &rst
  ixpk= 595, nxpk= 25, iat=  -1, 318, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 376, 377, 378,
 &end
#
#   21 TRP  HB-          21 TRP  HA          2.80    (#    597:25  Unique         2.21, 2.44 A)
 &rst
  ixpk= 597, nxpk= 25, iat=  -1, 318, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 320, 321,
 &end
#
#   88 VAL  MGY          21 TRP  HA          3.50    (#    598:25  Unique         2.15, 4.63 A)
 &rst
  ixpk= 598, nxpk= 25, iat=  -1, 318, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1349,1350,1351,1353,1354,1355,
 &end
#
#   91 PRO  HD+          21 TRP  HB+         4.50    (#    601:25  Unique         2.13, 3.47 A)
 &rst
  ixpk= 601, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1401,1402,
 igr2= 320, 321,
 &end
#
#   21 TRP  HA           21 TRP  HB+         3.50    (#    603:25  Unique         2.21, 2.44 A)
 &rst
  ixpk= 603, nxpk= 25, iat= 318,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 320, 321,
 &end
#
#   90 PHE  HA           21 TRP  HB+         5.50    (#    604:25  Unique         2.41, 4.10 A)
 &rst
  ixpk= 604, nxpk= 25, iat=1382,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 320, 321,
 &end
#
#   21 TRP  HD1          21 TRP  HB+         4.50    (#    606:25  Unique         2.54, 3.19 A)
 &rst
  ixpk= 606, nxpk= 25, iat= 324,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 320, 321,
 &end
#
#   21 TRP  HN           21 TRP  HB+         4.50    (#    608:25  Unique         2.64, 3.21 A)
 &rst
  ixpk= 608, nxpk= 25, iat= 316,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 320, 321,
 &end
#
#   21 TRP  HD1          21 TRP  HB-         4.50    (#    611:25  Unique         2.54, 3.19 A)
 &rst
  ixpk= 611, nxpk= 25, iat= 324,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 320, 321,
 &end
#
#   21 TRP  HD1          21 TRP  HB-         5.50    (#    612:25  Unique         2.54, 3.19 A)
 &rst
  ixpk= 612, nxpk= 25, iat= 324,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 320, 321,
 &end
#
#   21 TRP  HD1          21 TRP  HB-         5.50    (#    613:25  Unique         2.54, 3.19 A)
 &rst
  ixpk= 613, nxpk= 25, iat= 324,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 320, 321,
 &end
#
#  138 LYS  HA          138 LYS  HG-         3.50    (#    615:25  Unique         2.31, 3.36 A)
 &rst
  ixpk= 615, nxpk= 25, iat=2085,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=2090,2091,
 &end
#
#   21 TRP  HA           21 TRP  HB-         3.50    (#    616:25  Unique         2.21, 2.44 A)
 &rst
  ixpk= 616, nxpk= 25, iat= 318,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 320, 321,
 &end
#
#  138 LYS  HE+         138 LYS  HG-         3.50    (#    617:25  Unique         2.40, 3.00 A)
 &rst
  ixpk= 617, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=2096,2097,
 igr2=2090,2091,
 &end
#
#   22 GLN  HG-          22 GLN  HA          3.50    (#    619:25  Unique         2.48, 2.75 A)
 &rst
  ixpk= 619, nxpk= 25, iat=  -1, 342, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 347, 348,
 &end
#
#   22 GLN  HG+          22 GLN  HA          3.50    (#    620:25  Unique         2.48, 2.75 A)
 &rst
  ixpk= 620, nxpk= 25, iat=  -1, 342, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 347, 348,
 &end
#
#   25 ILE  QG2          22 GLN  HA          5.50    (#    621:25  Unique         5.13, 5.80 A)
 &rst
  ixpk= 621, nxpk= 25, iat=  -1, 342, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 388, 389, 390,
 &end
#
#   47 LYS  HG-          22 GLN  HA          4.50    (#    622:25  Unique         2.44, 3.43 A)
 &rst
  ixpk= 622, nxpk= 25, iat=  -1, 342, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 747, 748,
 &end
#
#    0 AMB  25-2:623     22 GLN  HA          3.50    (#    623:25  Single Ambig)
 &rst
  ixpk= 623, nxpk= 25, iat=  -1, 342, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 344, 345, 750, 751,
 &end
#
#   47 LYS  HG+          22 GLN  HA          4.50    (#    624:25  Unique         2.44, 3.43 A)
 &rst
  ixpk= 624, nxpk= 25, iat=  -1, 342, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 747, 748,
 &end
#
#   22 GLN  HB+          22 GLN  HA          3.50    (#    625:25  Unique         2.45, 2.77 A)
 &rst
  ixpk= 625, nxpk= 25, iat=  -1, 342, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 344, 345,
 &end
#
#   25 ILE  HG1-         22 GLN  HA          4.50    (#    626:25  Unique         2.67, 3.69 A)
 &rst
  ixpk= 626, nxpk= 25, iat=  -1, 342, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 392, 393,
 &end
#
#   25 ILE  HB           22 GLN  HA          4.50    (#    627:25  Unique         3.25, 3.46 A)
 &rst
  ixpk= 627, nxpk= 25, iat= 386, 342, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   47 LYS  HE+          22 GLN  HA          5.50    (#    628:25  Unique         2.09, 3.23 A)
 &rst
  ixpk= 628, nxpk= 25, iat=  -1, 342, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 753, 754,
 &end
#
#   47 LYS  HE-          22 GLN  HA          4.50    (#    629:25  Unique         2.09, 3.23 A)
 &rst
  ixpk= 629, nxpk= 25, iat=  -1, 342, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 753, 754,
 &end
#
#   22 GLN  HN           22 GLN  HA          3.50    (#    634:25  Unique         2.83, 2.87 A)
 &rst
  ixpk= 634, nxpk= 25, iat= 340, 342, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:638     22 GLN  HA          5.50    (#    638:25  Single Ambig)
 &rst
  ixpk= 638, nxpk= 25, iat=  -1, 342, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 372, 740,
 &end
#
#    0 AMB  25-2:639     22 GLN  HA          4.50    (#    639:25  Single Ambig)
 &rst
  ixpk= 639, nxpk= 25, iat=  -1, 342, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 382, 357, 401,
 &end
#
#   21 TRP  HN           22 GLN  HA          5.50    (#    640:25  Unique         5.10, 5.37 A)
 &rst
  ixpk= 640, nxpk= 25, iat= 316, 342, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   23 GLU  HN           22 GLN  HB+         4.50    (#    641:25  Unique         2.44, 3.06 A)
 &rst
  ixpk= 641, nxpk= 25, iat= 357,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 344, 345,
 &end
#
#   23 GLU  HN           22 GLN  HB-         4.50    (#    642:25  Unique         2.44, 3.06 A)
 &rst
  ixpk= 642, nxpk= 25, iat= 357,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 344, 345,
 &end
#
#   22 GLN  HN           22 GLN  HB+         3.50    (#    643:25  Unique         2.37, 3.03 A)
 &rst
  ixpk= 643, nxpk= 25, iat= 340,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 344, 345,
 &end
#
#   22 GLN  HN           22 GLN  HB-         3.50    (#    644:25  Unique         2.37, 3.03 A)
 &rst
  ixpk= 644, nxpk= 25, iat= 340,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 344, 345,
 &end
#
#   22 GLN  HA           22 GLN  HB+         4.50    (#    645:25  Unique         2.45, 2.77 A)
 &rst
  ixpk= 645, nxpk= 25, iat= 342,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 344, 345,
 &end
#
#   22 GLN  HA           22 GLN  HB-         3.50    (#    646:25  Unique         2.45, 2.77 A)
 &rst
  ixpk= 646, nxpk= 25, iat= 342,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 344, 345,
 &end
#
#   47 LYS  HE-          22 GLN  HB-         5.50    (#    647:25  Unique         2.73, 4.72 A)
 &rst
  ixpk= 647, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 753, 754,
 igr2= 344, 345,
 &end
#
#   22 GLN  HG+          22 GLN  HB+         4.50    (#    648:25  Unique         2.38, 2.77 A)
 &rst
  ixpk= 648, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 347, 348,
 igr2= 344, 345,
 &end
#
#   22 GLN  HG+          22 GLN  HB-         4.50    (#    649:25  Unique         2.38, 2.77 A)
 &rst
  ixpk= 649, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 347, 348,
 igr2= 344, 345,
 &end
#
#   47 LYS  HG-          22 GLN  HG+         4.50    (#    656:25  Unique         3.61, 5.13 A)
 &rst
  ixpk= 656, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 747, 748,
 igr2= 347, 348,
 &end
#
#   47 LYS  HG-          22 GLN  HG-         4.50    (#    657:25  Unique         3.61, 5.13 A)
 &rst
  ixpk= 657, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 747, 748,
 igr2= 347, 348,
 &end
#
#    0 AMB  25-2:658      0 AMB  25-1:658    3.50    (#    658:25  Double Ambig)
 &rst
  ixpk= 658, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 344, 345, 750, 751,
 igr2= 347, 348, 347, 348,
 &end
#
#   22 GLN  HB+          22 GLN  HG+         3.50    (#    659:25  Unique         2.38, 2.77 A)
 &rst
  ixpk= 659, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 344, 345,
 igr2= 347, 348,
 &end
#
#    0 AMB  25-2:660      0 AMB  25-1:660    4.50    (#    660:25  Double Ambig)
 &rst
  ixpk= 660, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 750, 751, 747, 748,
 igr2= 347, 348, 347, 348,
 &end
#
#    0 AMB  25-2:661     22 GLN  HG-         3.50    (#    661:25  Single Ambig)
 &rst
  ixpk= 661, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 344, 345, 750, 751,
 igr2= 347, 348,
 &end
#
#   47 LYS  HG+          22 GLN  HG-         4.50    (#    662:25  Unique         3.61, 5.13 A)
 &rst
  ixpk= 662, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 747, 748,
 igr2= 347, 348,
 &end
#
#   22 GLN  HB+          22 GLN  HG-         3.50    (#    663:25  Unique         2.38, 2.77 A)
 &rst
  ixpk= 663, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 344, 345,
 igr2= 347, 348,
 &end
#
#   25 ILE  HG1-         22 GLN  HG+         5.50    (#    664:25  Unique         4.81, 5.92 A)
 &rst
  ixpk= 664, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 392, 393,
 igr2= 347, 348,
 &end
#
#    0 AMB  25-2:665      0 AMB  25-1:665    5.50    (#    665:25  Double Ambig)
 &rst
  ixpk= 665, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1= 744, 745, 744, 745,
 igr2= 347, 348, 347, 348,
 &end
#
#    0 AMB  25-2:666     22 GLN  HG-         5.50    (#    666:25  Single Ambig)
 &rst
  ixpk= 666, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 392, 393, 361, 362,
 igr2= 347, 348,
 &end
#
#    0 AMB  25-2:667     22 GLN  HG-         5.50    (#    667:25  Single Ambig)
 &rst
  ixpk= 667, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 744, 745, 744, 745,
 igr2= 347, 348,
 &end
#
#    0 AMB  25-2:668      0 AMB  25-1:668    5.50    (#    668:25  Double Ambig)
 &rst
  ixpk= 668, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 386,1401,1402,
 igr2= 347, 348, 347, 348,
 &end
#
#    0 AMB  25-2:670     22 GLN  HG-         5.50    (#    670:25  Single Ambig)
 &rst
  ixpk= 670, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 386,1401,1402,
 igr2= 347, 348,
 &end
#
#   47 LYS  HE-          22 GLN  HG+         5.50    (#    672:25  Unique         3.56, 5.34 A)
 &rst
  ixpk= 672, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 753, 754,
 igr2= 347, 348,
 &end
#
#   47 LYS  HE-          22 GLN  HG-         5.50    (#    673:25  Unique         3.56, 5.34 A)
 &rst
  ixpk= 673, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 753, 754,
 igr2= 347, 348,
 &end
#
#   22 GLN  HA           22 GLN  HG+         3.50    (#    674:25  Unique         2.48, 2.75 A)
 &rst
  ixpk= 674, nxpk= 25, iat= 342,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 347, 348,
 &end
#
#   22 GLN  HA           22 GLN  HG-         3.50    (#    675:25  Unique         2.48, 2.75 A)
 &rst
  ixpk= 675, nxpk= 25, iat= 342,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 347, 348,
 &end
#
#   22 GLN  HN           22 GLN  HG-         3.50    (#    680:25  Unique         2.04, 2.89 A)
 &rst
  ixpk= 680, nxpk= 25, iat= 340,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 347, 348,
 &end
#
#   22 GLN  HN           22 GLN  HG+         3.50    (#    681:25  Unique         2.04, 2.89 A)
 &rst
  ixpk= 681, nxpk= 25, iat= 340,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 347, 348,
 &end
#
#    0 AMB  25-2:686      0 AMB  25-1:686    5.50    (#    686:25  Double Ambig)
 &rst
  ixpk= 686, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 357, 382,
 igr2= 347, 348, 347, 348,
 &end
#
#    0 AMB  25-2:687     22 GLN  HG-         4.50    (#    687:25  Single Ambig)
 &rst
  ixpk= 687, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 357, 382,
 igr2= 347, 348,
 &end
#
#   21 TRP  HE1          22 GLN  HG+         5.50    (#    688:25  Unique         3.92, 5.48 A)
 &rst
  ixpk= 688, nxpk= 25, iat= 326,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 347, 348,
 &end
#
#   21 TRP  HE1          22 GLN  HG-         5.50    (#    689:25  Unique         3.92, 5.48 A)
 &rst
  ixpk= 689, nxpk= 25, iat= 326,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 347, 348,
 &end
#
#   19 LYS  HN           23 GLU  HA          5.50    (#    690:25  Unique         5.11, 5.27 A)
 &rst
  ixpk= 690, nxpk= 25, iat= 282, 359, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   27 PHE  HN           23 GLU  HA          5.50    (#    691:25  Unique         3.76, 3.89 A)
 &rst
  ixpk= 691, nxpk= 25, iat= 413, 359, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  25-2:692     23 GLU  HA          3.50    (#    692:25  Single Ambig)
 &rst
  ixpk= 692, nxpk= 25, iat=  -1, 359, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 357, 401,
 &end
#
#   24 ALA  HN           23 GLU  HA          3.50    (#    693:25  Unique         3.54, 3.55 A)
 &rst
  ixpk= 693, nxpk= 25, iat= 372, 359, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   20 ASP  HN           23 GLU  HA          5.50    (#    694:25  Unique         4.69, 4.79 A)
 &rst
  ixpk= 694, nxpk= 25, iat= 304, 359, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   26 ASP  HB-          23 GLU  HA          3.50    (#    695:25  Unique         2.25, 2.96 A)
 &rst
  ixpk= 695, nxpk= 25, iat=  -1, 359, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 405, 406,
 &end
#
#   26 ASP  HB+          23 GLU  HA          2.80    (#    696:25  Unique         2.25, 2.96 A)
 &rst
  ixpk= 696, nxpk= 25, iat=  -1, 359, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 405, 406,
 &end
#
#    0 AMB  25-2:697     23 GLU  HA          2.80    (#    697:25  Single Ambig)
 &rst
  ixpk= 697, nxpk= 25, iat=  -1, 359, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 361, 362, 364, 365,
 &end
#
#   23 GLU  HG+          23 GLU  HA          2.80    (#    698:25  Unique         2.59, 3.22 A)
 &rst
  ixpk= 698, nxpk= 25, iat=  -1, 359, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 364, 365,
 &end
#
#    0 AMB  25-2:699      0 AMB  25-1:699    2.80    (#    699:25  Double Ambig)
 &rst
  ixpk= 699, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 286, 287, 364, 365,
 igr2= 361, 362, 361, 362,
 &end
#
#   23 GLU  HA           23 GLU  HB+         2.80    (#    700:25  Unique         2.51, 2.81 A)
 &rst
  ixpk= 700, nxpk= 25, iat= 359,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 361, 362,
 &end
#
#   20 ASP  HN           23 GLU  HB+         2.80    (#    701:25  Unique         1.91, 2.41 A)
 &rst
  ixpk= 701, nxpk= 25, iat= 304,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 361, 362,
 &end
#
#   23 GLU  HN           23 GLU  HB+         2.80    (#    702:25  Unique         2.20, 2.50 A)
 &rst
  ixpk= 702, nxpk= 25, iat= 357,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 361, 362,
 &end
#
#   19 LYS  HN           23 GLU  HB+         4.50    (#    703:25  Unique         2.47, 3.11 A)
 &rst
  ixpk= 703, nxpk= 25, iat= 282,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 361, 362,
 &end
#
#   19 LYS  HN           23 GLU  HG-         4.50    (#    704:25  Unique         1.89, 2.79 A)
 &rst
  ixpk= 704, nxpk= 25, iat= 282,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 364, 365,
 &end
#
#   19 LYS  HN           23 GLU  HG+         4.50    (#    705:25  Unique         1.89, 2.79 A)
 &rst
  ixpk= 705, nxpk= 25, iat= 282,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 364, 365,
 &end
#
#    0 AMB  25-2:706     23 GLU  HG-         4.50    (#    706:25  Single Ambig)
 &rst
  ixpk= 706, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 357, 401, 382,
 igr2= 364, 365,
 &end
#
#    0 AMB  25-2:707      0 AMB  25-1:707    5.50    (#    707:25  Double Ambig)
 &rst
  ixpk= 707, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1= 357, 401, 382,
 igr2= 364, 365, 364, 365, 364, 365,
 &end
#
#   24 ALA  HN           23 GLU  HG+         4.50    (#    708:25  Unique         4.12, 4.47 A)
 &rst
  ixpk= 708, nxpk= 25, iat= 372,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 364, 365,
 &end
#
#   20 ASP  HN           23 GLU  HG-         3.50    (#    709:25  Unique         3.49, 4.05 A)
 &rst
  ixpk= 709, nxpk= 25, iat= 304,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 364, 365,
 &end
#
#   20 ASP  HN           23 GLU  HG+         4.50    (#    710:25  Unique         3.49, 4.05 A)
 &rst
  ixpk= 710, nxpk= 25, iat= 304,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 364, 365,
 &end
#
#   18 ALA  HA           23 GLU  HG+         5.50    (#    711:25  Unique         3.53, 4.12 A)
 &rst
  ixpk= 711, nxpk= 25, iat= 274,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 364, 365,
 &end
#
#   18 ALA  HA           23 GLU  HG-         5.50    (#    712:25  Unique         3.53, 4.12 A)
 &rst
  ixpk= 712, nxpk= 25, iat= 274,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 364, 365,
 &end
#
#   23 GLU  HA           23 GLU  HG-         2.80    (#    713:25  Unique         2.59, 3.22 A)
 &rst
  ixpk= 713, nxpk= 25, iat= 359,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 364, 365,
 &end
#
#   23 GLU  HA           23 GLU  HG+         3.50    (#    714:25  Unique         2.59, 3.22 A)
 &rst
  ixpk= 714, nxpk= 25, iat= 359,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 364, 365,
 &end
#
#    0 AMB  25-2:715      0 AMB  25-1:715    5.50    (#    715:25  Double Ambig)
 &rst
  ixpk= 715, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 374, 284,
 igr2= 364, 365, 364, 365,
 &end
#
#    0 AMB  25-2:716      0 AMB  25-1:716    4.50    (#    716:25  Double Ambig)
 &rst
  ixpk= 716, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 405, 406, 295, 296,
 igr2= 364, 365, 364, 365,
 &end
#
#    0 AMB  25-2:717     23 GLU  HG-         4.50    (#    717:25  Single Ambig)
 &rst
  ixpk= 717, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 405, 406, 295, 296,
 igr2= 364, 365,
 &end
#
#    0 AMB  25-2:722     24 ALA  HA          3.50    (#    722:25  Single Ambig)
 &rst
  ixpk= 722, nxpk= 25, iat=  -1, 374, r1= 0.00, r2= 1.80, r3= 5.37, r4= 6.12,
 igr1=1292,1349,1350,1351,1353,1354,1355,1545,1546,1547,
      1549,1550,1551,
 &end
#
#   18 ALA  MB           24 ALA  HA          3.50    (#    723:25  Unique         2.40, 3.00 A)
 &rst
  ixpk= 723, nxpk= 25, iat=  -1, 374, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 276, 277, 278,
 &end
#
#   24 ALA  MB           24 ALA  HA          2.80    (#    724:25  Unique         2.33, 2.63 A)
 &rst
  ixpk= 724, nxpk= 25, iat=  -1, 374, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 376, 377, 378,
 &end
#
#   27 PHE  HB+          24 ALA  HA          3.50    (#    726:25  Unique         2.40, 3.36 A)
 &rst
  ixpk= 726, nxpk= 25, iat=  -1, 374, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 417, 418,
 &end
#
#   27 PHE  HD           24 ALA  HA          5.50    (#    730:25  Unique         3.02, 4.66 A)
 &rst
  ixpk= 730, nxpk= 25, iat=  -1, 374, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 421, 429,
 &end
#
#   24 ALA  HN           24 ALA  HA          3.50    (#    731:25  Unique         2.80, 2.83 A)
 &rst
  ixpk= 731, nxpk= 25, iat= 372, 374, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:732     24 ALA  HA          3.50    (#    732:25  Single Ambig)
 &rst
  ixpk= 732, nxpk= 25, iat=  -1, 374, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 382, 401,
 &end
#
#   28 SER  HN           24 ALA  HA          5.50    (#    733:25  Unique         3.82, 4.13 A)
 &rst
  ixpk= 733, nxpk= 25, iat= 433, 374, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   89 TYR  HN           24 ALA  MB          5.50    (#    735:25  Unique         2.55, 3.99 A)
 &rst
  ixpk= 735, nxpk= 25, iat=1359,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 376, 377, 378,
 &end
#
#   25 ILE  HN           24 ALA  MB          3.50    (#    736:25  Unique         2.49, 3.47 A)
 &rst
  ixpk= 736, nxpk= 25, iat= 382,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 376, 377, 378,
 &end
#
#   24 ALA  HN           24 ALA  MB          2.80    (#    737:25  Unique         2.27, 2.84 A)
 &rst
  ixpk= 737, nxpk= 25, iat= 372,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 376, 377, 378,
 &end
#
#   27 PHE  HD           24 ALA  MB          4.50    (#    738:25  Unique         4.47, 7.02 A)
 &rst
  ixpk= 738, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 421, 429,
 igr2= 376, 377, 378,
 &end
#
#   20 ASP  HN           24 ALA  MB          4.50    (#    739:25  Unique         3.87, 5.13 A)
 &rst
  ixpk= 739, nxpk= 25, iat= 304,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 376, 377, 378,
 &end
#
#   24 ALA  HA           24 ALA  MB          2.80    (#    742:25  Unique         2.33, 2.63 A)
 &rst
  ixpk= 742, nxpk= 25, iat= 374,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 376, 377, 378,
 &end
#
#   21 TRP  HA           24 ALA  MB          3.50    (#    743:25  Unique         2.16, 2.83 A)
 &rst
  ixpk= 743, nxpk= 25, iat= 318,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 376, 377, 378,
 &end
#
#   21 TRP  HB+          24 ALA  MB          5.50    (#    744:25  Unique         3.69, 4.82 A)
 &rst
  ixpk= 744, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 320, 321,
 igr2= 376, 377, 378,
 &end
#
#   88 VAL  HB           24 ALA  MB          4.50    (#    746:25  Unique         2.19, 3.69 A)
 &rst
  ixpk= 746, nxpk= 25, iat=1347,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 376, 377, 378,
 &end
#
#    0 AMB  25-2:747     24 ALA  MB          3.50    (#    747:25  Single Ambig)
 &rst
  ixpk= 747, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 361, 362, 364, 365,
 igr2= 376, 377, 378,
 &end
#
#   25 ILE  QD1          25 ILE  HA          3.50    (#    750:25  Unique         3.16, 4.03 A)
 &rst
  ixpk= 750, nxpk= 25, iat=  -1, 384, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 395, 396, 397,
 &end
#
#   25 ILE  HG1-         25 ILE  HA          2.80    (#    751:25  Unique         2.59, 3.21 A)
 &rst
  ixpk= 751, nxpk= 25, iat=  -1, 384, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 392, 393,
 &end
#
#   25 ILE  HB           25 ILE  HA          3.50    (#    752:25  Unique         3.00, 3.02 A)
 &rst
  ixpk= 752, nxpk= 25, iat= 386, 384, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:754     25 ILE  HA          2.80    (#    754:25  Single Ambig)
 &rst
  ixpk= 754, nxpk= 25, iat=  -1, 384, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 382, 401,
 &end
#
#   28 SER  HN           25 ILE  HA          4.50    (#    755:25  Unique         3.11, 3.21 A)
 &rst
  ixpk= 755, nxpk= 25, iat= 433, 384, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:756     25 ILE  HB          3.50    (#    756:25  Single Ambig)
 &rst
  ixpk= 756, nxpk= 25, iat=  -1, 386, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 382, 401,
 &end
#
#   22 GLN  HA           25 ILE  HB          3.50    (#    757:25  Unique         3.25, 3.46 A)
 &rst
  ixpk= 757, nxpk= 25, iat= 342, 386, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:759     25 ILE  HB          3.50    (#    759:25  Single Ambig)
 &rst
  ixpk= 759, nxpk= 25, iat=  -1, 386, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
 igr1= 747, 748, 395, 396, 397,
 &end
#
#    0 AMB  25-2:760    127 ILE  HB          2.80    (#    760:25  Single Ambig)
 &rst
  ixpk= 760, nxpk= 25, iat=  -1,1918, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1920,1921,1922,1927,1928,1929,
 &end
#
#    0 AMB  25-2:762     25 ILE  HG1-        2.80    (#    762:25  Single Ambig)
 &rst
  ixpk= 762, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.11, r4= 4.86,
 igr1= 747, 748, 395, 396, 397,
 igr2= 392, 393,
 &end
#
#   22 GLN  HA           25 ILE  HG1-        4.50    (#    763:25  Unique         2.67, 3.69 A)
 &rst
  ixpk= 763, nxpk= 25, iat= 342,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 392, 393,
 &end
#
#   25 ILE  HN           25 ILE  HG1-        4.50    (#    767:25  Unique         2.20, 2.57 A)
 &rst
  ixpk= 767, nxpk= 25, iat= 382,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 392, 393,
 &end
#
#    0 AMB  25-2:768     25 ILE  QD1         4.50    (#    768:25  Single Ambig)
 &rst
  ixpk= 768, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 382, 401,
 igr2= 395, 396, 397,
 &end
#
#   46 ILE  HN           25 ILE  QD1         4.50    (#    769:25  Unique         4.84, 5.77 A)
 &rst
  ixpk= 769, nxpk= 25, iat= 721,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 395, 396, 397,
 &end
#
#   44 GLN  HE2-         25 ILE  QD1         5.50    (#    773:25  Unique         6.37, 7.54 A)
 &rst
  ixpk= 773, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 706, 707,
 igr2= 395, 396, 397,
 &end
#
#   47 LYS  HA           25 ILE  QD1         5.50    (#    778:25  Unique         2.10, 3.08 A)
 &rst
  ixpk= 778, nxpk= 25, iat= 742,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 395, 396, 397,
 &end
#
#   25 ILE  HA           25 ILE  QD1         4.50    (#    779:25  Unique         3.16, 4.03 A)
 &rst
  ixpk= 779, nxpk= 25, iat= 384,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 395, 396, 397,
 &end
#
#    0 AMB  25-2:781     25 ILE  QD1         5.50    (#    781:25  Single Ambig)
 &rst
  ixpk= 781, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 320, 321,1031,
 igr2= 395, 396, 397,
 &end
#
#   25 ILE  HB           25 ILE  QD1         4.50    (#    782:25  Unique         3.28, 3.78 A)
 &rst
  ixpk= 782, nxpk= 25, iat= 386,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 395, 396, 397,
 &end
#
#   47 LYS  HE+          25 ILE  QD1         5.50    (#    783:25  Unique         4.33, 5.44 A)
 &rst
  ixpk= 783, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 753, 754,
 igr2= 395, 396, 397,
 &end
#
#    0 AMB  25-2:784     25 ILE  QD1         2.80    (#    784:25  Single Ambig)
 &rst
  ixpk= 784, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 392, 393, 725,
 igr2= 395, 396, 397,
 &end
#
#    0 AMB  25-2:785     25 ILE  QD1         4.50    (#    785:25  Single Ambig)
 &rst
  ixpk= 785, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 320, 321, 809, 810,
 igr2= 395, 396, 397,
 &end
#
#   29 MET  HG+          25 ILE  QG2         4.50    (#    788:25  Unique         2.23, 3.53 A)
 &rst
  ixpk= 788, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 451, 452,
 igr2= 388, 389, 390,
 &end
#
#   22 GLN  HA           25 ILE  QG2         5.50    (#    789:25  Unique         5.13, 5.80 A)
 &rst
  ixpk= 789, nxpk= 25, iat= 342,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 388, 389, 390,
 &end
#
#   25 ILE  HA           25 ILE  QG2         2.80    (#    790:25  Unique         2.33, 3.08 A)
 &rst
  ixpk= 790, nxpk= 25, iat= 384,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 388, 389, 390,
 &end
#
#    0 AMB  25-2:793     25 ILE  QG2         3.50    (#    793:25  Single Ambig)
 &rst
  ixpk= 793, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 401, 382,
 igr2= 388, 389, 390,
 &end
#
#  126 GLU  HN          126 GLU  HA          2.80    (#    794:25  Unique         2.84, 2.85 A)
 &rst
  ixpk= 794, nxpk= 25, iat=1899,1901, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   26 ASP  HB-          26 ASP  HA          2.80    (#    796:25  Unique         2.43, 2.74 A)
 &rst
  ixpk= 796, nxpk= 25, iat=  -1, 403, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 405, 406,
 &end
#
#   43 ILE  QG2          26 ASP  HA          3.50    (#    797:25  Unique         2.44, 3.26 A)
 &rst
  ixpk= 797, nxpk= 25, iat=  -1, 403, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 681, 682, 683,
 &end
#
#    0 AMB  25-2:798      0 AMB  25-1:798    3.50    (#    798:25  Double Ambig)
 &rst
  ixpk= 798, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 388, 389, 390,1927,1928,1929,
 igr2= 403,1901,
 &end
#
#   29 MET  HN           26 ASP  HA          4.50    (#    799:25  Unique         3.36, 3.47 A)
 &rst
  ixpk= 799, nxpk= 25, iat= 444, 403, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   27 PHE  HN           26 ASP  HB-         3.50    (#    801:25  Unique         2.38, 3.22 A)
 &rst
  ixpk= 801, nxpk= 25, iat= 413,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 405, 406,
 &end
#
#   26 ASP  HN           26 ASP  HB-         2.80    (#    802:25  Unique         2.44, 2.56 A)
 &rst
  ixpk= 802, nxpk= 25, iat= 401,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 405, 406,
 &end
#
#   26 ASP  HA           26 ASP  HB-         2.80    (#    803:25  Unique         2.43, 2.74 A)
 &rst
  ixpk= 803, nxpk= 25, iat= 403,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 405, 406,
 &end
#
#    0 AMB  25-2:804      0 AMB  25-1:804    3.50    (#    804:25  Double Ambig)
 &rst
  ixpk= 804, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 359,1472,
 igr2= 405, 406,1384,1385,
 &end
#
#   15 ILE  QD1          27 PHE  HA          5.50    (#    807:25  Unique         4.34, 5.11 A)
 &rst
  ixpk= 807, nxpk= 25, iat=  -1, 415, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 238, 239, 240,
 &end
#
#    0 AMB  25-2:808     27 PHE  HA          3.50    (#    808:25  Single Ambig)
 &rst
  ixpk= 808, nxpk= 25, iat=  -1, 415, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 467, 468, 469, 471, 472, 473, 467, 468, 469, 471,
       472, 473,
 &end
#
#   30 VAL  HB           27 PHE  HA          4.50    (#    810:25  Unique         2.77, 3.27 A)
 &rst
  ixpk= 810, nxpk= 25, iat= 465, 415, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   26 ASP  HB+          27 PHE  HA          5.50    (#    811:25  Unique         4.25, 5.07 A)
 &rst
  ixpk= 811, nxpk= 25, iat=  -1, 415, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 405, 406,
 &end
#
#   26 ASP  HB-          27 PHE  HA          5.50    (#    812:25  Unique         4.25, 5.07 A)
 &rst
  ixpk= 812, nxpk= 25, iat=  -1, 415, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 405, 406,
 &end
#
#   27 PHE  HB-          27 PHE  HA          2.80    (#    813:25  Unique         2.34, 2.81 A)
 &rst
  ixpk= 813, nxpk= 25, iat=  -1, 415, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 417, 418,
 &end
#
#   27 PHE  HD           27 PHE  HA          5.50    (#    817:25  Unique         2.13, 3.41 A)
 &rst
  ixpk= 817, nxpk= 25, iat=  -1, 415, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 421, 429,
 &end
#
#   29 MET  HN           27 PHE  HA          5.50    (#    818:25  Unique         3.74, 3.93 A)
 &rst
  ixpk= 818, nxpk= 25, iat= 444, 415, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   30 VAL  HN           27 PHE  HA          4.50    (#    819:25  Unique         3.12, 3.41 A)
 &rst
  ixpk= 819, nxpk= 25, iat= 461, 415, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   28 SER  HN           27 PHE  HA          4.50    (#    820:25  Unique         3.48, 3.59 A)
 &rst
  ixpk= 820, nxpk= 25, iat= 433, 415, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   27 PHE  HN           27 PHE  HA          4.50    (#    821:25  Unique         2.82, 2.84 A)
 &rst
  ixpk= 821, nxpk= 25, iat= 413, 415, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   27 PHE  HN           27 PHE  HB+         3.50    (#    822:25  Unique         2.22, 2.89 A)
 &rst
  ixpk= 822, nxpk= 25, iat= 413,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 417, 418,
 &end
#
#   27 PHE  HN           27 PHE  HB-         3.50    (#    823:25  Unique         2.22, 2.89 A)
 &rst
  ixpk= 823, nxpk= 25, iat= 413,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 417, 418,
 &end
#
#   28 SER  HN           27 PHE  HB+         3.50    (#    824:25  Unique         3.01, 3.48 A)
 &rst
  ixpk= 824, nxpk= 25, iat= 433,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 417, 418,
 &end
#
#   28 SER  HN           27 PHE  HB-         3.50    (#    825:25  Unique         3.01, 3.48 A)
 &rst
  ixpk= 825, nxpk= 25, iat= 433,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 417, 418,
 &end
#
#   27 PHE  HA           27 PHE  HB+         3.50    (#    832:25  Unique         2.34, 2.81 A)
 &rst
  ixpk= 832, nxpk= 25, iat= 415,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 417, 418,
 &end
#
#   27 PHE  HA           27 PHE  HB-         2.80    (#    833:25  Unique         2.34, 2.81 A)
 &rst
  ixpk= 833, nxpk= 25, iat= 415,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 417, 418,
 &end
#
#   24 ALA  HA           27 PHE  HB+         3.50    (#    834:25  Unique         2.40, 3.36 A)
 &rst
  ixpk= 834, nxpk= 25, iat= 374,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 417, 418,
 &end
#
#   24 ALA  HA           27 PHE  HB-         3.50    (#    835:25  Unique         2.40, 3.36 A)
 &rst
  ixpk= 835, nxpk= 25, iat= 374,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 417, 418,
 &end
#
#   24 ALA  MB           27 PHE  HB+         5.50    (#    838:25  Unique         4.41, 5.77 A)
 &rst
  ixpk= 838, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 376, 377, 378,
 igr2= 417, 418,
 &end
#
#   24 ALA  MB           27 PHE  HB-         5.50    (#    839:25  Unique         4.41, 5.77 A)
 &rst
  ixpk= 839, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 376, 377, 378,
 igr2= 417, 418,
 &end
#
#    0 AMB  25-2:840      0 AMB  25-1:840    5.50    (#    840:25  Double Ambig)
 &rst
  ixpk= 840, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
 igr1= 467, 468, 469, 471, 472, 473, 467, 468, 469, 471,
       472, 473,
 igr2= 417, 418, 417, 418,
 &end
#
#    0 AMB  25-2:841     27 PHE  HB-         5.50    (#    841:25  Single Ambig)
 &rst
  ixpk= 841, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1= 467, 468, 469, 471, 472, 473, 467, 468, 469, 471,
       472, 473,
 igr2= 417, 418,
 &end
#
#   82 THR  MG2          27 PHE  HB+         3.50    (#    842:25  Unique         2.58, 4.50 A)
 &rst
  ixpk= 842, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1258,1259,1260,
 igr2= 417, 418,
 &end
#
#   82 THR  MG2          27 PHE  HB-         3.50    (#    843:25  Unique         2.58, 4.50 A)
 &rst
  ixpk= 843, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1258,1259,1260,
 igr2= 417, 418,
 &end
#
#   15 ILE  QD1          27 PHE  HB+         3.50    (#    844:25  Unique         2.20, 3.80 A)
 &rst
  ixpk= 844, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 238, 239, 240,
 igr2= 417, 418,
 &end
#
#   15 ILE  QD1          27 PHE  HB-         3.50    (#    845:25  Unique         2.20, 3.80 A)
 &rst
  ixpk= 845, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 238, 239, 240,
 igr2= 417, 418,
 &end
#
#    0 AMB  25-2:846     28 SER  HA          5.50    (#    846:25  Single Ambig)
 &rst
  ixpk= 846, nxpk= 25, iat=  -1, 435, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1252,1233, 198,
 &end
#
#   27 PHE  HN           28 SER  HA          5.50    (#    847:25  Unique         5.29, 5.35 A)
 &rst
  ixpk= 847, nxpk= 25, iat= 413, 435, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   28 SER  HN           28 SER  HA          3.50    (#    848:25  Unique         2.83, 2.89 A)
 &rst
  ixpk= 848, nxpk= 25, iat= 433, 435, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   30 VAL  HN           28 SER  HA          5.50    (#    849:25  Unique         4.33, 4.63 A)
 &rst
  ixpk= 849, nxpk= 25, iat= 461, 435, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   29 MET  HN           28 SER  HA          4.50    (#    850:25  Unique         3.33, 3.46 A)
 &rst
  ixpk= 850, nxpk= 25, iat= 444, 435, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:857     28 SER  HA          2.80    (#    857:25  Single Ambig)
 &rst
  ixpk= 857, nxpk= 25, iat=  -1, 435, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 437, 438,1256,
 &end
#
#   28 SER  HB-          28 SER  HA          2.80    (#    858:25  Unique         2.32, 2.70 A)
 &rst
  ixpk= 858, nxpk= 25, iat=  -1, 435, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 437, 438,
 &end
#
#  100 LEU  HB+          28 SER  HA          4.50    (#    861:25  Unique         3.24, 4.52 A)
 &rst
  ixpk= 861, nxpk= 25, iat=  -1, 435, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1540,1541,
 &end
#
#    0 AMB  25-2:862     28 SER  HA          5.50    (#    862:25  Single Ambig)
 &rst
  ixpk= 862, nxpk= 25, iat=  -1, 435, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1=1025,1026, 455, 456, 457,
 &end
#
#    0 AMB  25-2:863     28 SER  HA          5.50    (#    863:25  Single Ambig)
 &rst
  ixpk= 863, nxpk= 25, iat=  -1, 435, r1= 0.00, r2= 1.80, r3= 8.54, r4= 9.29,
 igr1=1540,1541, 467, 468, 469, 471, 472, 473, 467, 468,
       469, 471, 472, 473,
 &end
#
#    0 AMB  25-2:864     28 SER  HA          4.50    (#    864:25  Single Ambig)
 &rst
  ixpk= 864, nxpk= 25, iat=  -1, 435, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1=1258,1259,1260,1545,1546,1547,1549,1550,1551,
 &end
#
#  100 LEU  MDX          28 SER  HB+         4.50    (#    866:25  Unique         2.01, 4.48 A)
 &rst
  ixpk= 866, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1545,1546,1547,1549,1550,1551,
 igr2= 437, 438,
 &end
#
#  100 LEU  HB-          28 SER  HB+         4.50    (#    867:25  Unique         2.46, 3.89 A)
 &rst
  ixpk= 867, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1540,1541,
 igr2= 437, 438,
 &end
#
#    0 AMB  25-2:868      0 AMB  25-1:868    3.50    (#    868:25  Double Ambig)
 &rst
  ixpk= 868, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
 igr1=1545,1546,1547,1549,1550,1551,1349,1350,1351,1353,
      1354,1355,
 igr2= 437, 438, 265, 266,
 &end
#
#  100 LEU  HB-          28 SER  HB-         5.50    (#    869:25  Unique         2.46, 3.89 A)
 &rst
  ixpk= 869, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1540,1541,
 igr2= 437, 438,
 &end
#
#  100 LEU  HB+          28 SER  HB+         4.50    (#    870:25  Unique         2.46, 3.89 A)
 &rst
  ixpk= 870, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1540,1541,
 igr2= 437, 438,
 &end
#
#    0 AMB  25-2:872      0 AMB  25-1:872    4.50    (#    872:25  Double Ambig)
 &rst
  ixpk= 872, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1025,1026, 455, 456, 457,
 igr2= 437, 438, 437, 438,
 &end
#
#    0 AMB  25-2:873      0 AMB  25-1:873    3.50    (#    873:25  Double Ambig)
 &rst
  ixpk= 873, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1=1323,1324,1025,1026,
 igr2= 265, 266, 437, 438,
 &end
#
#    0 AMB  25-2:874      0 AMB  25-1:874    5.50    (#    874:25  Double Ambig)
 &rst
  ixpk= 874, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1=1022,1023,1576,1577,
 igr2= 437, 438, 437, 438,
 &end
#
#   28 SER  HA           28 SER  HB+         2.80    (#    875:25  Unique         2.32, 2.70 A)
 &rst
  ixpk= 875, nxpk= 25, iat= 435,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 437, 438,
 &end
#
#   67 HIS  HN           28 SER  HB+         5.50    (#    881:25  Unique         4.97, 6.22 A)
 &rst
  ixpk= 881, nxpk= 25, iat=1035,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 437, 438,
 &end
#
#   29 MET  HN           28 SER  HB+         5.50    (#    882:25  Unique         3.10, 3.93 A)
 &rst
  ixpk= 882, nxpk= 25, iat= 444,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 437, 438,
 &end
#
#    0 AMB  25-2:884      0 AMB  25-1:884    5.50    (#    884:25  Double Ambig)
 &rst
  ixpk= 884, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=1574, 382, 401,
 igr2= 437, 438, 437, 438, 437, 438,
 &end
#
#   28 SER  HN           28 SER  HB+         3.50    (#    885:25  Unique         2.30, 2.85 A)
 &rst
  ixpk= 885, nxpk= 25, iat= 433,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 437, 438,
 &end
#
#   28 SER  HN           28 SER  HB-         4.50    (#    886:25  Unique         2.30, 2.85 A)
 &rst
  ixpk= 886, nxpk= 25, iat= 433,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 437, 438,
 &end
#
#   30 VAL  HN           29 MET  HA          4.50    (#    887:25  Unique         3.42, 3.49 A)
 &rst
  ixpk= 887, nxpk= 25, iat= 461, 446, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   29 MET  HN           29 MET  HA          3.50    (#    888:25  Unique         2.98, 2.99 A)
 &rst
  ixpk= 888, nxpk= 25, iat= 444, 446, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   32 LEU  HN           29 MET  HA          4.50    (#    889:25  Unique         3.52, 3.63 A)
 &rst
  ixpk= 889, nxpk= 25, iat= 488, 446, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   29 MET  HG-          29 MET  HA          3.50    (#    891:25  Unique         2.74, 3.47 A)
 &rst
  ixpk= 891, nxpk= 25, iat=  -1, 446, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 451, 452,
 &end
#
#    0 AMB  25-2:892     29 MET  HA          2.80    (#    892:25  Single Ambig)
 &rst
  ixpk= 892, nxpk= 25, iat=  -1, 446, r1= 0.00, r2= 1.80, r3= 3.66, r4= 4.41,
 igr1= 455, 456, 457, 448, 449,
 &end
#
#   32 LEU  HG           29 MET  HA          4.50    (#    893:25  Unique         3.30, 3.79 A)
 &rst
  ixpk= 893, nxpk= 25, iat= 495, 446, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:894     29 MET  HA          5.50    (#    894:25  Single Ambig)
 &rst
  ixpk= 894, nxpk= 25, iat=  -1, 446, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 605, 606,1540,1541,
 &end
#
#    0 AMB  25-2:895     29 MET  HA          3.50    (#    895:25  Single Ambig)
 &rst
  ixpk= 895, nxpk= 25, iat=  -1, 446, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 608, 609, 610, 688, 689, 690,
 &end
#
#   32 LEU  MDX          29 MET  HA          3.50    (#    896:25  Unique         2.82, 5.21 A)
 &rst
  ixpk= 896, nxpk= 25, iat=  -1, 446, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 497, 498, 499, 501, 502, 503,
 &end
#
#    0 AMB  25-2:897     29 MET  HA          5.50    (#    897:25  Single Ambig)
 &rst
  ixpk= 897, nxpk= 25, iat=  -1, 446, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 734, 735, 736, 601, 602, 603,
 &end
#
#   29 MET  HG+          29 MET  HB-         4.50    (#    898:25  Unique         2.22, 2.62 A)
 &rst
  ixpk= 898, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 451, 452,
 igr2= 448, 449,
 &end
#
#   29 MET  HG+          29 MET  HB+         4.50    (#    899:25  Unique         2.22, 2.62 A)
 &rst
  ixpk= 899, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 451, 452,
 igr2= 448, 449,
 &end
#
#   29 MET  HA           29 MET  HB-         4.50    (#    900:25  Unique         2.33, 2.71 A)
 &rst
  ixpk= 900, nxpk= 25, iat= 446,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 448, 449,
 &end
#
#   29 MET  HA           29 MET  HB+         4.50    (#    901:25  Unique         2.33, 2.71 A)
 &rst
  ixpk= 901, nxpk= 25, iat= 446,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 448, 449,
 &end
#
#   29 MET  HN           29 MET  HB-         4.50    (#    902:25  Unique         2.40, 3.15 A)
 &rst
  ixpk= 902, nxpk= 25, iat= 444,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 448, 449,
 &end
#
#   29 MET  HN           29 MET  HB+         4.50    (#    903:25  Unique         2.40, 3.15 A)
 &rst
  ixpk= 903, nxpk= 25, iat= 444,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 448, 449,
 &end
#
#   26 ASP  HN           29 MET  HB+         5.50    (#    904:25  Unique         5.25, 6.30 A)
 &rst
  ixpk= 904, nxpk= 25, iat= 401,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 448, 449,
 &end
#
#   29 MET  HN           29 MET  HG+         4.50    (#    905:25  Unique         2.67, 3.35 A)
 &rst
  ixpk= 905, nxpk= 25, iat= 444,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 451, 452,
 &end
#
#   29 MET  HN           29 MET  HG-         4.50    (#    906:25  Unique         2.67, 3.35 A)
 &rst
  ixpk= 906, nxpk= 25, iat= 444,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 451, 452,
 &end
#
#  116 GLN  HN          116 GLN  HG+         3.50    (#    908:25  Unique         2.34, 3.00 A)
 &rst
  ixpk= 908, nxpk= 25, iat=1748,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1755,1756,
 &end
#
#   29 MET  HA           29 MET  HG+         5.50    (#    909:25  Unique         2.74, 3.47 A)
 &rst
  ixpk= 909, nxpk= 25, iat= 446,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 451, 452,
 &end
#
#   29 MET  HA           29 MET  HG-         4.50    (#    910:25  Unique         2.74, 3.47 A)
 &rst
  ixpk= 910, nxpk= 25, iat= 446,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 451, 452,
 &end
#
#  116 GLN  HA          116 GLN  HG+         3.50    (#    913:25  Unique         2.41, 3.09 A)
 &rst
  ixpk= 913, nxpk= 25, iat=1750,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1755,1756,
 &end
#
#   43 ILE  HA           29 MET  HG+         5.50    (#    914:25  Unique         2.75, 3.80 A)
 &rst
  ixpk= 914, nxpk= 25, iat= 677,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 451, 452,
 &end
#
#   29 MET  HB+          29 MET  HG+         3.50    (#    918:25  Unique         2.22, 2.62 A)
 &rst
  ixpk= 918, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 448, 449,
 igr2= 451, 452,
 &end
#
#    0 AMB  25-2:919     29 MET  HG-         2.80    (#    919:25  Single Ambig)
 &rst
  ixpk= 919, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.35, r4= 5.10,
 igr1= 685, 686, 448, 449, 455, 456, 457,
 igr2= 451, 452,
 &end
#
#    0 AMB  25-2:920      0 AMB  25-1:920    2.80    (#    920:25  Double Ambig)
 &rst
  ixpk= 920, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.22, r4= 5.97,
 igr1= 685, 686, 448, 449, 455, 456, 457,
 igr2= 451, 452, 451, 452, 451, 452,
 &end
#
#    0 AMB  25-2:921      0 AMB  25-1:921    4.50    (#    921:25  Double Ambig)
 &rst
  ixpk= 921, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 688, 689, 690, 608, 609, 610,
 igr2= 451, 452, 451, 452,
 &end
#
#    0 AMB  25-2:922     29 MET  HG-         4.50    (#    922:25  Single Ambig)
 &rst
  ixpk= 922, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 688, 689, 690, 608, 609, 610,
 igr2= 451, 452,
 &end
#
#   43 ILE  QG2          29 MET  HG+         4.50    (#    923:25  Unique         2.14, 4.17 A)
 &rst
  ixpk= 923, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 681, 682, 683,
 igr2= 451, 452,
 &end
#
#   25 ILE  QG2          29 MET  HG+         4.50    (#    925:25  Unique         2.23, 3.53 A)
 &rst
  ixpk= 925, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 388, 389, 390,
 igr2= 451, 452,
 &end
#
#   43 ILE  HG1-         29 MET  HG+         4.50    (#    926:25  Unique         2.17, 4.08 A)
 &rst
  ixpk= 926, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 685, 686,
 igr2= 451, 452,
 &end
#
#   46 ILE  QD1          29 MET  HG+         4.50    (#    927:25  Unique         2.17, 3.85 A)
 &rst
  ixpk= 927, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 734, 735, 736,
 igr2= 451, 452,
 &end
#
#  112 ILE  QG2         116 GLN  HG+         3.50    (#    928:25  Unique         2.92, 3.98 A)
 &rst
  ixpk= 928, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1699,1700,1701,
 igr2=1755,1756,
 &end
#
#    0 AMB  25-2:929      0 AMB  25-1:929    2.80    (#    929:25  Double Ambig)
 &rst
  ixpk= 929, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1=1735,1736,1737, 727, 728, 729,
 igr2=1755,1756, 451, 452,
 &end
#
#   32 LEU  MDY          29 MET  ME          5.50    (#    930:25  Unique         2.21, 5.41 A)
 &rst
  ixpk= 930, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1= 497, 498, 499, 501, 502, 503,
 igr2= 455, 456, 457,
 &end
#
#   46 ILE  QD1          29 MET  ME          2.80    (#    931:25  Unique         2.61, 4.23 A)
 &rst
  ixpk= 931, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 734, 735, 736,
 igr2= 455, 456, 457,
 &end
#
#   32 LEU  MDX          29 MET  ME          2.80    (#    932:25  Unique         2.21, 5.41 A)
 &rst
  ixpk= 932, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 497, 498, 499, 501, 502, 503,
 igr2= 455, 456, 457,
 &end
#
#   38 ILE  QD1          29 MET  ME          4.50    (#    933:25  Unique         3.26, 5.34 A)
 &rst
  ixpk= 933, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 608, 609, 610,
 igr2= 455, 456, 457,
 &end
#
#    0 AMB  25-2:934     29 MET  ME          5.50    (#    934:25  Single Ambig)
 &rst
  ixpk= 934, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 492, 493,1585,1586,
 igr2= 455, 456, 457,
 &end
#
#   66 PRO  HB-          29 MET  ME          3.50    (#    935:25  Unique         2.91, 5.22 A)
 &rst
  ixpk= 935, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1028,1029,
 igr2= 455, 456, 457,
 &end
#
#   29 MET  HB+          29 MET  ME          2.80    (#    936:25  Unique         2.64, 4.32 A)
 &rst
  ixpk= 936, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 448, 449,
 igr2= 455, 456, 457,
 &end
#
#   29 MET  HG-          29 MET  ME          3.50    (#    937:25  Unique         2.38, 3.57 A)
 &rst
  ixpk= 937, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 451, 452,
 igr2= 455, 456, 457,
 &end
#
#   29 MET  HG+          29 MET  ME          3.50    (#    938:25  Unique         2.38, 3.57 A)
 &rst
  ixpk= 938, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 451, 452,
 igr2= 455, 456, 457,
 &end
#
#  102 GLY  HA+          29 MET  ME          3.50    (#    939:25  Unique         2.12, 3.03 A)
 &rst
  ixpk= 939, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1576,1577,
 igr2= 455, 456, 457,
 &end
#
#  102 GLY  HA-          29 MET  ME          3.50    (#    940:25  Unique         2.12, 3.03 A)
 &rst
  ixpk= 940, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1576,1577,
 igr2= 455, 456, 457,
 &end
#
#   29 MET  HA           29 MET  ME          4.50    (#    943:25  Unique         2.00, 3.17 A)
 &rst
  ixpk= 943, nxpk= 25, iat= 446,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 455, 456, 457,
 &end
#
#   67 HIS  HD2          29 MET  ME          5.50    (#    945:25  Unique         5.22, 6.62 A)
 &rst
  ixpk= 945, nxpk= 25, iat=1048,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 455, 456, 457,
 &end
#
#  103 LEU  HN           29 MET  ME          3.50    (#    946:25  Unique         2.12, 3.48 A)
 &rst
  ixpk= 946, nxpk= 25, iat=1581,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 455, 456, 457,
 &end
#
#   29 MET  HN           29 MET  ME          4.50    (#    947:25  Unique         4.14, 5.11 A)
 &rst
  ixpk= 947, nxpk= 25, iat= 444,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 455, 456, 457,
 &end
#
#   34 ASP  HN           30 VAL  HA          4.50    (#    948:25  Unique         3.52, 3.65 A)
 &rst
  ixpk= 948, nxpk= 25, iat= 526, 463, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   33 LEU  HN           30 VAL  HA          4.50    (#    949:25  Unique         3.04, 3.16 A)
 &rst
  ixpk= 949, nxpk= 25, iat= 507, 463, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   31 SER  HN           30 VAL  HA          4.50    (#    950:25  Unique         3.60, 3.63 A)
 &rst
  ixpk= 950, nxpk= 25, iat= 477, 463, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   30 VAL  HN           30 VAL  HA          3.50    (#    951:25  Unique         2.67, 2.71 A)
 &rst
  ixpk= 951, nxpk= 25, iat= 461, 463, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   29 MET  HN           30 VAL  HA          5.50    (#    952:25  Unique         4.41, 4.60 A)
 &rst
  ixpk= 952, nxpk= 25, iat= 444, 463, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   30 VAL  HB           30 VAL  HA          2.80    (#    953:25  Unique         2.40, 2.43 A)
 &rst
  ixpk= 953, nxpk= 25, iat= 465, 463, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   33 LEU  HB-          30 VAL  HA          3.50    (#    954:25  Unique         2.19, 2.63 A)
 &rst
  ixpk= 954, nxpk= 25, iat=  -1, 463, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 511, 512,
 &end
#
#   33 LEU  HB+          30 VAL  HA          4.50    (#    955:25  Unique         2.19, 2.63 A)
 &rst
  ixpk= 955, nxpk= 25, iat=  -1, 463, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 511, 512,
 &end
#
#    0 AMB  25-2:956     30 VAL  HA          3.50    (#    956:25  Single Ambig)
 &rst
  ixpk= 956, nxpk= 25, iat=  -1, 463, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 467, 468, 469, 471, 472, 473, 467, 468, 469, 471,
       472, 473,
 &end
#
#    0 AMB  25-2:957     30 VAL  HA          3.50    (#    957:25  Single Ambig)
 &rst
  ixpk= 957, nxpk= 25, iat=  -1, 463, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 688, 689, 690, 608, 609, 610,
 &end
#
#   33 LEU  HG           30 VAL  HA          4.50    (#    958:25  Unique         3.86, 4.39 A)
 &rst
  ixpk= 958, nxpk= 25, iat= 514, 463, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:959     30 VAL  HB          2.80    (#    959:25  Single Ambig)
 &rst
  ixpk= 959, nxpk= 25, iat=  -1, 465, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 467, 468, 469, 471, 472, 473, 467, 468, 469, 471,
       472, 473,
 &end
#
#   30 VAL  HA           30 VAL  HB          2.80    (#    960:25  Unique         2.40, 2.43 A)
 &rst
  ixpk= 960, nxpk= 25, iat= 463, 465, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   30 VAL  HN           30 VAL  HB          2.80    (#    961:25  Unique         2.38, 2.42 A)
 &rst
  ixpk= 961, nxpk= 25, iat= 461, 465, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   31 SER  HN           30 VAL  HB          4.50    (#    962:25  Unique         4.10, 4.16 A)
 &rst
  ixpk= 962, nxpk= 25, iat= 477, 465, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   30 VAL  HN           30 VAL  MGX         3.50    (#    963:25  Unique         2.24, 3.86 A)
 &rst
  ixpk= 963, nxpk= 25, iat= 461,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 467, 468, 469, 471, 472, 473,
 &end
#
#   27 PHE  HA           30 VAL  MGX         3.50    (#    964:25  Unique         2.68, 4.39 A)
 &rst
  ixpk= 964, nxpk= 25, iat= 415,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 467, 468, 469, 471, 472, 473,
 &end
#
#   30 VAL  HA           30 VAL  MGX         3.50    (#    965:25  Unique         2.42, 3.53 A)
 &rst
  ixpk= 965, nxpk= 25, iat= 463,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 467, 468, 469, 471, 472, 473,
 &end
#
#   30 VAL  HB           30 VAL  MGX         2.80    (#    966:25  Unique         2.42, 2.65 A)
 &rst
  ixpk= 966, nxpk= 25, iat= 465,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 467, 468, 469, 471, 472, 473,
 &end
#
#   31 SER  HN           30 VAL  MGY         3.50    (#    967:25  Unique         2.45, 3.90 A)
 &rst
  ixpk= 967, nxpk= 25, iat= 477,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 467, 468, 469, 471, 472, 473,
 &end
#
#   30 VAL  HN           30 VAL  MGY         4.50    (#    968:25  Unique         2.24, 3.86 A)
 &rst
  ixpk= 968, nxpk= 25, iat= 461,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 467, 468, 469, 471, 472, 473,
 &end
#
#   27 PHE  HA           30 VAL  MGY         3.50    (#    969:25  Unique         2.68, 4.39 A)
 &rst
  ixpk= 969, nxpk= 25, iat= 415,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 467, 468, 469, 471, 472, 473,
 &end
#
#   31 SER  HA           30 VAL  MGY         3.50    (#    970:25  Unique         3.54, 4.74 A)
 &rst
  ixpk= 970, nxpk= 25, iat= 479,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 467, 468, 469, 471, 472, 473,
 &end
#
#   30 VAL  HA           30 VAL  MGY         2.80    (#    971:25  Unique         2.42, 3.53 A)
 &rst
  ixpk= 971, nxpk= 25, iat= 463,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 467, 468, 469, 471, 472, 473,
 &end
#
#   30 VAL  HB           30 VAL  MGY         2.80    (#    972:25  Unique         2.42, 2.65 A)
 &rst
  ixpk= 972, nxpk= 25, iat= 465,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 467, 468, 469, 471, 472, 473,
 &end
#
#    0 AMB  25-2:974     31 SER  HA          2.80    (#    974:25  Single Ambig)
 &rst
  ixpk= 974, nxpk= 25, iat=  -1, 479, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 467, 468, 469, 471, 472, 473, 467, 468, 469, 471,
       472, 473,
 &end
#
#   34 ASP  HB+          31 SER  HA          3.50    (#    977:25  Unique         2.83, 3.36 A)
 &rst
  ixpk= 977, nxpk= 25, iat=  -1, 479, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 530, 531,
 &end
#
#   34 ASP  HB-          31 SER  HA          3.50    (#    978:25  Unique         2.83, 3.36 A)
 &rst
  ixpk= 978, nxpk= 25, iat=  -1, 479, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 530, 531,
 &end
#
#   31 SER  HB+          31 SER  HA          3.50    (#    979:25  Unique         2.25, 2.71 A)
 &rst
  ixpk= 979, nxpk= 25, iat=  -1, 479, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 481, 482,
 &end
#
#   31 SER  HB-          31 SER  HA          3.50    (#    980:25  Unique         2.25, 2.71 A)
 &rst
  ixpk= 980, nxpk= 25, iat=  -1, 479, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 481, 482,
 &end
#
#   31 SER  HN           31 SER  HA          3.50    (#    984:25  Unique         2.78, 2.80 A)
 &rst
  ixpk= 984, nxpk= 25, iat= 477, 479, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   33 LEU  HN           31 SER  HA          5.50    (#    985:25  Unique         4.55, 4.66 A)
 &rst
  ixpk= 985, nxpk= 25, iat= 507, 479, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   34 ASP  HN           31 SER  HA          4.50    (#    986:25  Unique         3.60, 3.75 A)
 &rst
  ixpk= 986, nxpk= 25, iat= 526, 479, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   48 ASP  HN           47 LYS  HA          5.50    (#    987:25  Unique         3.56, 3.60 A)
 &rst
  ixpk= 987, nxpk= 25, iat= 762, 742, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   31 SER  HN           31 SER  HB-         3.50    (#    988:25  Unique         2.39, 3.13 A)
 &rst
  ixpk= 988, nxpk= 25, iat= 477,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 481, 482,
 &end
#
#   31 SER  HN           31 SER  HB+         4.50    (#    989:25  Unique         2.39, 3.13 A)
 &rst
  ixpk= 989, nxpk= 25, iat= 477,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 481, 482,
 &end
#
#   32 LEU  HN           31 SER  HB+         5.50    (#    990:25  Unique         2.66, 3.48 A)
 &rst
  ixpk= 990, nxpk= 25, iat= 488,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 481, 482,
 &end
#
#   11 SER  HA           31 SER  HB+         4.50    (#    992:25  Unique         1.96, 2.46 A)
 &rst
  ixpk= 992, nxpk= 25, iat= 170,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 481, 482,
 &end
#
#   31 SER  HA           31 SER  HB+         3.50    (#    993:25  Unique         2.25, 2.71 A)
 &rst
  ixpk= 993, nxpk= 25, iat= 479,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 481, 482,
 &end
#
#   31 SER  HA           31 SER  HB-         2.80    (#    994:25  Unique         2.25, 2.71 A)
 &rst
  ixpk= 994, nxpk= 25, iat= 479,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 481, 482,
 &end
#
#   32 LEU  HB-          32 LEU  HA          3.50    (#    999:25  Unique         2.47, 2.79 A)
 &rst
  ixpk= 999, nxpk= 25, iat=  -1, 490, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 492, 493,
 &end
#
#   32 LEU  HB+          32 LEU  HA          3.50    (#   1000:25  Unique         2.47, 2.79 A)
 &rst
  ixpk= 1000, nxpk= 25, iat=  -1, 490, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 492, 493,
 &end
#
#   32 LEU  HG           32 LEU  HA          3.50    (#   1001:25  Unique         2.93, 3.10 A)
 &rst
  ixpk= 1001, nxpk= 25, iat= 495, 490, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   35 LYS  HB+          32 LEU  HA          5.50    (#   1002:25  Unique         3.46, 5.08 A)
 &rst
  ixpk= 1002, nxpk= 25, iat=  -1, 490, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 542, 543,
 &end
#
#   37 TYR  HB-          32 LEU  HA          4.50    (#   1003:25  Unique         2.22, 3.18 A)
 &rst
  ixpk= 1003, nxpk= 25, iat=  -1, 490, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 578, 579,
 &end
#
#   37 TYR  HB+          32 LEU  HA          3.50    (#   1004:25  Unique         2.22, 3.18 A)
 &rst
  ixpk= 1004, nxpk= 25, iat=  -1, 490, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 578, 579,
 &end
#
#   32 LEU  HN           32 LEU  HA          3.50    (#   1005:25  Unique         2.89, 2.94 A)
 &rst
  ixpk= 1005, nxpk= 25, iat= 488, 490, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   35 LYS  HN           32 LEU  HA          4.50    (#   1006:25  Unique         3.61, 3.80 A)
 &rst
  ixpk= 1006, nxpk= 25, iat= 538, 490, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   33 LEU  HN           32 LEU  HA          4.50    (#   1007:25  Unique         3.59, 3.60 A)
 &rst
  ixpk= 1007, nxpk= 25, iat= 507, 490, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   37 TYR  HN           32 LEU  HA          4.50    (#   1008:25  Unique         3.46, 3.64 A)
 &rst
  ixpk= 1008, nxpk= 25, iat= 574, 490, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   33 LEU  HN           32 LEU  HB+         4.50    (#   1009:25  Unique         2.44, 3.10 A)
 &rst
  ixpk= 1009, nxpk= 25, iat= 507,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 492, 493,
 &end
#
#   32 LEU  HN           32 LEU  HB+         3.50    (#   1011:25  Unique         2.32, 3.00 A)
 &rst
  ixpk= 1011, nxpk= 25, iat= 488,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 492, 493,
 &end
#
#   32 LEU  HN           32 LEU  HB-         4.50    (#   1012:25  Unique         2.32, 3.00 A)
 &rst
  ixpk= 1012, nxpk= 25, iat= 488,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 492, 493,
 &end
#
#   37 TYR  HB+          32 LEU  HB-         4.50    (#   1013:25  Unique         2.15, 3.43 A)
 &rst
  ixpk= 1013, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 578, 579,
 igr2= 492, 493,
 &end
#
#   37 TYR  HB-          32 LEU  HB-         5.50    (#   1014:25  Unique         2.15, 3.43 A)
 &rst
  ixpk= 1014, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 578, 579,
 igr2= 492, 493,
 &end
#
#   32 LEU  HG           32 LEU  HB-         3.50    (#   1016:25  Unique         2.45, 2.77 A)
 &rst
  ixpk= 1016, nxpk= 25, iat= 495,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 492, 493,
 &end
#
#   32 LEU  MDX          32 LEU  HB+         3.50    (#   1020:25  Unique         2.43, 3.34 A)
 &rst
  ixpk= 1020, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 497, 498, 499, 501, 502, 503,
 igr2= 492, 493,
 &end
#
#   32 LEU  MDX          32 LEU  HB-         3.50    (#   1021:25  Unique         2.43, 3.34 A)
 &rst
  ixpk= 1021, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 497, 498, 499, 501, 502, 503,
 igr2= 492, 493,
 &end
#
#    0 AMB  25-2:1022     0 AMB  25-1:1022   4.50    (#   1022:25  Double Ambig)
 &rst
  ixpk= 1022, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
 igr1=2188,2189,2190, 601, 602, 603, 605, 606,
 igr2=  49,  50, 492, 493, 492, 493,
 &end
#
#    0 AMB  25-2:1023    32 LEU  HB-         4.50    (#   1023:25  Single Ambig)
 &rst
  ixpk= 1023, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 601, 602, 603, 605, 606,
 igr2= 492, 493,
 &end
#
#   32 LEU  MDY          32 LEU  HB+         4.50    (#   1024:25  Unique         2.43, 3.34 A)
 &rst
  ixpk= 1024, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 497, 498, 499, 501, 502, 503,
 igr2= 492, 493,
 &end
#
#   32 LEU  MDY          32 LEU  HB-         4.50    (#   1025:25  Unique         2.43, 3.34 A)
 &rst
  ixpk= 1025, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 497, 498, 499, 501, 502, 503,
 igr2= 492, 493,
 &end
#
#   32 LEU  HN           32 LEU  MDX         4.50    (#   1027:25  Unique         3.47, 4.51 A)
 &rst
  ixpk= 1027, nxpk= 25, iat= 488,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 497, 498, 499, 501, 502, 503,
 &end
#
#  104 SER  HB+          32 LEU  MDX         3.50    (#   1028:25  Unique         2.16, 4.66 A)
 &rst
  ixpk= 1028, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1604,1605,
 igr2= 497, 498, 499, 501, 502, 503,
 &end
#
#    0 AMB  25-2:1029    32 LEU  MDX         2.80    (#   1029:25  Single Ambig)
 &rst
  ixpk= 1029, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
 igr1= 455, 456, 457, 492, 493,
 igr2= 497, 498, 499, 501, 502, 503,
 &end
#
#   32 LEU  HB-          32 LEU  MDY         4.50    (#   1033:25  Unique         2.43, 3.34 A)
 &rst
  ixpk= 1033, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 492, 493,
 igr2= 497, 498, 499, 501, 502, 503,
 &end
#
#   32 LEU  HG           32 LEU  MDY         2.80    (#   1034:25  Unique         2.39, 2.65 A)
 &rst
  ixpk= 1034, nxpk= 25, iat= 495,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 497, 498, 499, 501, 502, 503,
 &end
#
#    0 AMB  25-2:1036    32 LEU  MDY         3.50    (#   1036:25  Single Ambig)
 &rst
  ixpk= 1036, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 455, 456, 457, 492, 493,
 igr2= 497, 498, 499, 501, 502, 503,
 &end
#
#   37 TYR  HB-          32 LEU  MDY         4.50    (#   1037:25  Unique         2.55, 4.36 A)
 &rst
  ixpk= 1037, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 578, 579,
 igr2= 497, 498, 499, 501, 502, 503,
 &end
#
#   37 TYR  HB+          32 LEU  MDY         3.50    (#   1039:25  Unique         2.55, 4.36 A)
 &rst
  ixpk= 1039, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 578, 579,
 igr2= 497, 498, 499, 501, 502, 503,
 &end
#
#  104 SER  HB+          32 LEU  MDY         4.50    (#   1041:25  Unique         2.16, 4.66 A)
 &rst
  ixpk= 1041, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1604,1605,
 igr2= 497, 498, 499, 501, 502, 503,
 &end
#
#    0 AMB  25-2:1042    32 LEU  MDY         2.80    (#   1042:25  Single Ambig)
 &rst
  ixpk= 1042, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 490, 129, 130,
 igr2= 497, 498, 499, 501, 502, 503,
 &end
#
#    8 PRO  HD-          32 LEU  MDY         4.50    (#   1043:25  Unique         2.82, 5.43 A)
 &rst
  ixpk= 1043, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 129, 130,
 igr2= 497, 498, 499, 501, 502, 503,
 &end
#
#    0 AMB  25-2:1044    32 LEU  MDY         5.50    (#   1044:25  Single Ambig)
 &rst
  ixpk= 1044, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=1226,1227,1602,
 igr2= 497, 498, 499, 501, 502, 503,
 &end
#
#   78 GLY  HA+          32 LEU  MDY         5.50    (#   1045:25  Unique         2.79, 5.17 A)
 &rst
  ixpk= 1045, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1200,1201,
 igr2= 497, 498, 499, 501, 502, 503,
 &end
#
#   29 MET  HA           32 LEU  MDY         5.50    (#   1047:25  Unique         2.82, 5.21 A)
 &rst
  ixpk= 1047, nxpk= 25, iat= 446,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 497, 498, 499, 501, 502, 503,
 &end
#
#    7 PHE  HA           32 LEU  MDY         5.50    (#   1048:25  Unique         4.19, 6.40 A)
 &rst
  ixpk= 1048, nxpk= 25, iat= 110,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 497, 498, 499, 501, 502, 503,
 &end
#
#   79 MET  HA           32 LEU  MDY         5.50    (#   1049:25  Unique         2.37, 3.89 A)
 &rst
  ixpk= 1049, nxpk= 25, iat=1207,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 497, 498, 499, 501, 502, 503,
 &end
#
#   32 LEU  HN           32 LEU  MDY         3.50    (#   1051:25  Unique         3.47, 4.51 A)
 &rst
  ixpk= 1051, nxpk= 25, iat= 488,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 497, 498, 499, 501, 502, 503,
 &end
#
#   37 TYR  HD           32 LEU  MDY         5.50    (#   1052:25  Unique         3.08, 5.46 A)
 &rst
  ixpk= 1052, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 582, 591,
 igr2= 497, 498, 499, 501, 502, 503,
 &end
#
#   35 LYS  HN           32 LEU  MDY         5.50    (#   1054:25  Unique         5.39, 7.43 A)
 &rst
  ixpk= 1054, nxpk= 25, iat= 538,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 497, 498, 499, 501, 502, 503,
 &end
#
#   79 MET  HN           32 LEU  MDY         4.50    (#   1055:25  Unique         2.56, 4.51 A)
 &rst
  ixpk= 1055, nxpk= 25, iat=1205,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 497, 498, 499, 501, 502, 503,
 &end
#
#    0 AMB  25-2:1056    32 LEU  MDY         4.50    (#   1056:25  Single Ambig)
 &rst
  ixpk= 1056, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1222, 507,
 igr2= 497, 498, 499, 501, 502, 503,
 &end
#
#  104 SER  HN           32 LEU  MDY         5.50    (#   1057:25  Unique         3.17, 4.51 A)
 &rst
  ixpk= 1057, nxpk= 25, iat=1600,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 497, 498, 499, 501, 502, 503,
 &end
#
#   37 TYR  HN           32 LEU  MDY         5.50    (#   1058:25  Unique         4.98, 6.40 A)
 &rst
  ixpk= 1058, nxpk= 25, iat= 574,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 497, 498, 499, 501, 502, 503,
 &end
#
#   78 GLY  HN           32 LEU  MDY         5.50    (#   1059:25  Unique         4.14, 5.32 A)
 &rst
  ixpk= 1059, nxpk= 25, iat=1198,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 497, 498, 499, 501, 502, 503,
 &end
#
#   37 TYR  HN           33 LEU  HA          5.50    (#   1060:25  Unique         3.62, 3.77 A)
 &rst
  ixpk= 1060, nxpk= 25, iat= 574, 509, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   33 LEU  HN           33 LEU  HA          3.50    (#   1061:25  Unique         2.77, 2.78 A)
 &rst
  ixpk= 1061, nxpk= 25, iat= 507, 509, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   36 ASN  HN           33 LEU  HA          4.50    (#   1062:25  Unique         3.77, 3.86 A)
 &rst
  ixpk= 1062, nxpk= 25, iat= 560, 509, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   38 ILE  HN           33 LEU  HA          3.50    (#   1063:25  Unique         2.97, 3.05 A)
 &rst
  ixpk= 1063, nxpk= 25, iat= 595, 509, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   33 LEU  HB-          33 LEU  HA          3.50    (#   1065:25  Unique         2.48, 2.77 A)
 &rst
  ixpk= 1065, nxpk= 25, iat=  -1, 509, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 511, 512,
 &end
#
#   33 LEU  MDY          33 LEU  HA          4.50    (#   1066:25  Unique         2.12, 3.71 A)
 &rst
  ixpk= 1066, nxpk= 25, iat=  -1, 509, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 516, 517, 518, 520, 521, 522,
 &end
#
#   33 LEU  HB+          33 LEU  HA          3.50    (#   1067:25  Unique         2.48, 2.77 A)
 &rst
  ixpk= 1067, nxpk= 25, iat=  -1, 509, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 511, 512,
 &end
#
#   38 ILE  HG1+         33 LEU  HA          2.80    (#   1068:25  Unique         2.16, 2.37 A)
 &rst
  ixpk= 1068, nxpk= 25, iat=  -1, 509, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 605, 606,
 &end
#
#    0 AMB  25-2:1069    33 LEU  HA          2.80    (#   1069:25  Single Ambig)
 &rst
  ixpk= 1069, nxpk= 25, iat=  -1, 509, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 608, 609, 610, 688, 689, 690,
 &end
#
#   33 LEU  MDX          33 LEU  HA          2.80    (#   1070:25  Unique         2.12, 3.71 A)
 &rst
  ixpk= 1070, nxpk= 25, iat=  -1, 509, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 516, 517, 518, 520, 521, 522,
 &end
#
#   38 ILE  HG1-         33 LEU  HA          3.50    (#   1071:25  Unique         2.16, 2.37 A)
 &rst
  ixpk= 1071, nxpk= 25, iat=  -1, 509, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 605, 606,
 &end
#
#   83 LEU  MDX         131 LEU  HB+         2.80    (#   1072:25  Unique         3.07, 5.63 A)
 &rst
  ixpk= 1072, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1275,1276,1277,1279,1280,1281,
 igr2=1988,1989,
 &end
#
#    0 AMB  25-2:1073     0 AMB  25-1:1073   2.80    (#   1073:25  Double Ambig)
 &rst
  ixpk= 1073, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.88, r4= 5.63,
 igr1= 514, 516, 517, 518, 520, 521, 522,
 igr2= 511, 512, 511, 512,
 &end
#
#   33 LEU  MDY          33 LEU  HB-         3.50    (#   1075:25  Unique         2.35, 3.42 A)
 &rst
  ixpk= 1075, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 516, 517, 518, 520, 521, 522,
 igr2= 511, 512,
 &end
#
#   33 LEU  HA           33 LEU  HB-         4.50    (#   1079:25  Unique         2.48, 2.77 A)
 &rst
  ixpk= 1079, nxpk= 25, iat= 509,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 511, 512,
 &end
#
#   30 VAL  HA           33 LEU  HB+         3.50    (#   1080:25  Unique         2.19, 2.63 A)
 &rst
  ixpk= 1080, nxpk= 25, iat= 463,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 511, 512,
 &end
#
#   33 LEU  HN           33 LEU  HB-         3.50    (#   1081:25  Unique         2.25, 2.45 A)
 &rst
  ixpk= 1081, nxpk= 25, iat= 507,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 511, 512,
 &end
#
#   34 ASP  HN           33 LEU  HB-         3.50    (#   1082:25  Unique         2.29, 3.08 A)
 &rst
  ixpk= 1082, nxpk= 25, iat= 526,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 511, 512,
 &end
#
#   34 ASP  HN           33 LEU  HB+         4.50    (#   1083:25  Unique         2.29, 3.08 A)
 &rst
  ixpk= 1083, nxpk= 25, iat= 526,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 511, 512,
 &end
#
#   34 ASP  HN           33 LEU  HG          4.50    (#   1084:25  Unique         3.69, 4.20 A)
 &rst
  ixpk= 1084, nxpk= 25, iat= 526, 514, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   33 LEU  HN           33 LEU  HG          4.50    (#   1085:25  Unique         4.42, 4.49 A)
 &rst
  ixpk= 1085, nxpk= 25, iat= 507, 514, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   33 LEU  HA           33 LEU  HG          4.50    (#   1086:25  Unique         3.03, 3.30 A)
 &rst
  ixpk= 1086, nxpk= 25, iat= 509, 514, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:1087   100 LEU  MDX         2.80    (#   1087:25  Single Ambig)
 &rst
  ixpk= 1087, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 437, 438,1256,
 igr2=1545,1546,1547,1549,1550,1551,
 &end
#
#   40 GLU  HG+          33 LEU  HG          3.50    (#   1089:25  Unique         3.27, 4.06 A)
 &rst
  ixpk= 1089, nxpk= 25, iat=  -1, 514, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 632, 633,
 &end
#
#    0 AMB  25-2:1090    33 LEU  HG          2.80    (#   1090:25  Single Ambig)
 &rst
  ixpk= 1090, nxpk= 25, iat=  -1, 514, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 511, 512, 632, 633,
 &end
#
#   33 LEU  HB+          33 LEU  HG          2.80    (#   1091:25  Unique         2.29, 2.63 A)
 &rst
  ixpk= 1091, nxpk= 25, iat=  -1, 514, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 511, 512,
 &end
#
#   33 LEU  MDY          33 LEU  HG          2.80    (#   1092:25  Unique         2.35, 2.64 A)
 &rst
  ixpk= 1092, nxpk= 25, iat=  -1, 514, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 516, 517, 518, 520, 521, 522,
 &end
#
#   34 ASP  HB+          34 ASP  HA          2.80    (#   1093:25  Unique         2.42, 2.76 A)
 &rst
  ixpk= 1093, nxpk= 25, iat=  -1, 528, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 530, 531,
 &end
#
#   34 ASP  HB-          34 ASP  HA          2.80    (#   1094:25  Unique         2.42, 2.76 A)
 &rst
  ixpk= 1094, nxpk= 25, iat=  -1, 528, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 530, 531,
 &end
#
#   35 LYS  HN           34 ASP  HA          4.50    (#   1095:25  Unique         3.43, 3.51 A)
 &rst
  ixpk= 1095, nxpk= 25, iat= 538, 528, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   36 ASN  HN           34 ASP  HA          3.50    (#   1096:25  Unique         3.55, 3.64 A)
 &rst
  ixpk= 1096, nxpk= 25, iat= 560, 528, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   34 ASP  HN           34 ASP  HA          2.80    (#   1097:25  Unique         2.75, 2.78 A)
 &rst
  ixpk= 1097, nxpk= 25, iat= 526, 528, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   34 ASP  HN           34 ASP  HB-         2.80    (#   1098:25  Unique         2.31, 2.44 A)
 &rst
  ixpk= 1098, nxpk= 25, iat= 526,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 530, 531,
 &end
#
#   35 LYS  HN           34 ASP  HB+         3.50    (#   1100:25  Unique         2.70, 3.58 A)
 &rst
  ixpk= 1100, nxpk= 25, iat= 538,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 530, 531,
 &end
#
#   35 LYS  HN           34 ASP  HB-         3.50    (#   1101:25  Unique         2.70, 3.58 A)
 &rst
  ixpk= 1101, nxpk= 25, iat= 538,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 530, 531,
 &end
#
#   34 ASP  HA           34 ASP  HB-         2.80    (#   1102:25  Unique         2.42, 2.76 A)
 &rst
  ixpk= 1102, nxpk= 25, iat= 528,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 530, 531,
 &end
#
#   34 ASP  HA           34 ASP  HB+         2.80    (#   1103:25  Unique         2.42, 2.76 A)
 &rst
  ixpk= 1103, nxpk= 25, iat= 528,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 530, 531,
 &end
#
#   31 SER  HA           34 ASP  HB-         2.80    (#   1104:25  Unique         2.83, 3.36 A)
 &rst
  ixpk= 1104, nxpk= 25, iat= 479,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 530, 531,
 &end
#
#   31 SER  HA           34 ASP  HB+         2.80    (#   1105:25  Unique         2.83, 3.36 A)
 &rst
  ixpk= 1105, nxpk= 25, iat= 479,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 530, 531,
 &end
#
#    0 AMB  25-2:1106    34 ASP  HB-         4.50    (#   1106:25  Single Ambig)
 &rst
  ixpk= 1106, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 463, 490, 481, 482,
 igr2= 530, 531,
 &end
#
#   31 SER  HB+          34 ASP  HB-         5.50    (#   1108:25  Unique         4.76, 5.84 A)
 &rst
  ixpk= 1108, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 481, 482,
 igr2= 530, 531,
 &end
#
#   31 SER  HB+          34 ASP  HB+         5.50    (#   1109:25  Unique         4.76, 5.84 A)
 &rst
  ixpk= 1109, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 481, 482,
 igr2= 530, 531,
 &end
#
#   35 LYS  HD+          34 ASP  HB-         4.50    (#   1110:25  Unique         2.48, 4.82 A)
 &rst
  ixpk= 1110, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 548, 549,
 igr2= 530, 531,
 &end
#
#    0 AMB  25-2:1111    34 ASP  HB-         3.50    (#   1111:25  Single Ambig)
 &rst
  ixpk= 1111, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 548, 549, 545, 546,
 igr2= 530, 531,
 &end
#
#    0 AMB  25-2:1112     0 AMB  25-1:1112   3.50    (#   1112:25  Double Ambig)
 &rst
  ixpk= 1112, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 548, 549, 545, 546,
 igr2= 530, 531, 530, 531,
 &end
#
#    0 AMB  25-2:1114    34 ASP  HB-         4.50    (#   1114:25  Single Ambig)
 &rst
  ixpk= 1114, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 467, 468, 469, 471, 472, 473, 467, 468, 469, 471,
       472, 473,
 igr2= 530, 531,
 &end
#
#    0 AMB  25-2:1115     0 AMB  25-1:1115   4.50    (#   1115:25  Double Ambig)
 &rst
  ixpk= 1115, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
 igr1= 467, 468, 469, 471, 472, 473, 467, 468, 469, 471,
       472, 473,
 igr2= 530, 531, 530, 531,
 &end
#
#   35 LYS  HN           35 LYS  HB+         3.50    (#   1117:25  Unique         2.58, 3.33 A)
 &rst
  ixpk= 1117, nxpk= 25, iat= 538,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 542, 543,
 &end
#
#   44 GLN  HE2-         44 GLN  HG+         3.50    (#   1118:25  Unique         2.27, 3.31 A)
 &rst
  ixpk= 1118, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 706, 707,
 igr2= 701, 702,
 &end
#
#   37 TYR  HD           35 LYS  HB+         3.50    (#   1119:25  Unique         2.07, 4.75 A)
 &rst
  ixpk= 1119, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 582, 591,
 igr2= 542, 543,
 &end
#
#   35 LYS  HA           35 LYS  HB+         3.50    (#   1121:25  Unique         2.28, 2.66 A)
 &rst
  ixpk= 1121, nxpk= 25, iat= 540,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 542, 543,
 &end
#
#   35 LYS  HA           35 LYS  HB-         3.50    (#   1122:25  Unique         2.28, 2.66 A)
 &rst
  ixpk= 1122, nxpk= 25, iat= 540,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 542, 543,
 &end
#
#    0 AMB  25-2:1124    35 LYS  HB-         5.50    (#   1124:25  Single Ambig)
 &rst
  ixpk= 1124, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 551, 552, 578, 579,
 igr2= 542, 543,
 &end
#
#   35 LYS  HB+          35 LYS  HG+         3.50    (#   1126:25  Unique         2.28, 2.63 A)
 &rst
  ixpk= 1126, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 542, 543,
 igr2= 545, 546,
 &end
#
#   34 ASP  HB+          35 LYS  HG+         4.50    (#   1127:25  Unique         2.60, 5.15 A)
 &rst
  ixpk= 1127, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 530, 531,
 igr2= 545, 546,
 &end
#
#   34 ASP  HB-          35 LYS  HG+         5.50    (#   1128:25  Unique         2.60, 5.15 A)
 &rst
  ixpk= 1128, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 530, 531,
 igr2= 545, 546,
 &end
#
#   35 LYS  HE+          35 LYS  HG+         3.50    (#   1129:25  Unique         2.14, 3.03 A)
 &rst
  ixpk= 1129, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 551, 552,
 igr2= 545, 546,
 &end
#
#   35 LYS  HA           35 LYS  HG+         3.50    (#   1131:25  Unique         2.27, 3.33 A)
 &rst
  ixpk= 1131, nxpk= 25, iat= 540,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 545, 546,
 &end
#
#   37 TYR  HD           35 LYS  HG+         5.50    (#   1134:25  Unique         2.88, 6.01 A)
 &rst
  ixpk= 1134, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 582, 591,
 igr2= 545, 546,
 &end
#
#   35 LYS  HN           35 LYS  HG+         3.50    (#   1136:25  Unique         2.32, 3.48 A)
 &rst
  ixpk= 1136, nxpk= 25, iat= 538,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 545, 546,
 &end
#
#   36 ASN  HN           35 LYS  HG+         5.50    (#   1137:25  Unique         4.57, 5.26 A)
 &rst
  ixpk= 1137, nxpk= 25, iat= 560,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 545, 546,
 &end
#
#   35 LYS  HN           35 LYS  HD+         4.50    (#   1138:25  Unique         2.41, 3.65 A)
 &rst
  ixpk= 1138, nxpk= 25, iat= 538,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 548, 549,
 &end
#
#   35 LYS  HN           35 LYS  HD-         4.50    (#   1139:25  Unique         2.41, 3.65 A)
 &rst
  ixpk= 1139, nxpk= 25, iat= 538,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 548, 549,
 &end
#
#   37 TYR  HD           35 LYS  HD+         5.50    (#   1140:25  Unique         2.91, 6.48 A)
 &rst
  ixpk= 1140, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 582, 591,
 igr2= 548, 549,
 &end
#
#   37 TYR  HD           35 LYS  HD-         5.50    (#   1141:25  Unique         2.91, 6.48 A)
 &rst
  ixpk= 1141, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 582, 591,
 igr2= 548, 549,
 &end
#
#   35 LYS  HA           35 LYS  HD-         3.50    (#   1145:25  Unique         2.54, 3.65 A)
 &rst
  ixpk= 1145, nxpk= 25, iat= 540,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 548, 549,
 &end
#
#   35 LYS  HE+          35 LYS  HD-         3.50    (#   1147:25  Unique         2.36, 2.67 A)
 &rst
  ixpk= 1147, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 551, 552,
 igr2= 548, 549,
 &end
#
#   35 LYS  HB+          35 LYS  HD+         2.80    (#   1149:25  Unique         2.29, 3.21 A)
 &rst
  ixpk= 1149, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 542, 543,
 igr2= 548, 549,
 &end
#
#    0 AMB  25-2:1150     0 AMB  25-1:1150   2.80    (#   1150:25  Double Ambig)
 &rst
  ixpk= 1150, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 545, 546, 548, 549,
 igr2= 551, 552, 551, 552,
 &end
#
#    0 AMB  25-2:1151     0 AMB  25-1:1151   2.80    (#   1151:25  Double Ambig)
 &rst
  ixpk= 1151, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 548, 549, 542, 543,
 igr2= 551, 552, 551, 552,
 &end
#
#    9 GLU  HB+          35 LYS  HE+         3.50    (#   1152:25  Unique         2.69, 4.71 A)
 &rst
  ixpk= 1152, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 146, 147,
 igr2= 551, 552,
 &end
#
#    8 PRO  HB+          35 LYS  HE+         3.50    (#   1153:25  Unique         2.04, 3.41 A)
 &rst
  ixpk= 1153, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 135, 136,
 igr2= 551, 552,
 &end
#
#   35 LYS  HB+          35 LYS  HE+         4.50    (#   1154:25  Unique         3.16, 4.58 A)
 &rst
  ixpk= 1154, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 542, 543,
 igr2= 551, 552,
 &end
#
#    0 AMB  25-2:1156     0 AMB  25-1:1156   4.50    (#   1156:25  Double Ambig)
 &rst
  ixpk= 1156, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 481, 482, 490,
 igr2= 551, 552, 551, 552,
 &end
#
#   10 SER  HB+          35 LYS  HE+         3.50    (#   1157:25  Unique         2.27, 4.18 A)
 &rst
  ixpk= 1157, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 161, 162,
 igr2= 551, 552,
 &end
#
#   37 TYR  HN           36 ASN  HA          3.50    (#   1160:25  Unique         2.64, 2.76 A)
 &rst
  ixpk= 1160, nxpk= 25, iat= 574, 562, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   36 ASN  HN           36 ASN  HA          2.80    (#   1161:25  Unique         2.16, 2.20 A)
 &rst
  ixpk= 1161, nxpk= 25, iat= 560, 562, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   36 ASN  HD2+         36 ASN  HA          4.50    (#   1162:25  Unique         2.17, 4.45 A)
 &rst
  ixpk= 1162, nxpk= 25, iat=  -1, 562, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 569, 570,
 &end
#
#   35 LYS  HN           36 ASN  HA          4.50    (#   1163:25  Unique         4.13, 4.32 A)
 &rst
  ixpk= 1163, nxpk= 25, iat= 538, 562, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:1164     0 AMB  25-1:1164   3.50    (#   1164:25  Double Ambig)
 &rst
  ixpk= 1164, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1388,1396, 595,
 igr2=1382, 562,
 &end
#
#   36 ASN  HD2-         36 ASN  HA          4.50    (#   1165:25  Unique         2.17, 4.45 A)
 &rst
  ixpk= 1165, nxpk= 25, iat=  -1, 562, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 569, 570,
 &end
#
#   41 ASN  HB+          41 ASN  HA          2.80    (#   1167:25  Unique         2.18, 2.66 A)
 &rst
  ixpk= 1167, nxpk= 25, iat=  -1, 642, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 644, 645,
 &end
#
#   33 LEU  MDX          36 ASN  HA          4.50    (#   1168:25  Unique         3.60, 5.78 A)
 &rst
  ixpk= 1168, nxpk= 25, iat=  -1, 562, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 516, 517, 518, 520, 521, 522,
 &end
#
#   75 LEU  MDX          36 ASN  HA          4.50    (#   1169:25  Unique         3.33, 5.90 A)
 &rst
  ixpk= 1169, nxpk= 25, iat=  -1, 562, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1152,1153,1154,1156,1157,1158,
 &end
#
#   75 LEU  MDX          36 ASN  HB+         4.50    (#   1170:25  Unique         2.60, 5.63 A)
 &rst
  ixpk= 1170, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1152,1153,1154,1156,1157,1158,
 igr2= 564, 565,
 &end
#
#   75 LEU  MDX          36 ASN  HB-         4.50    (#   1171:25  Unique         2.60, 5.63 A)
 &rst
  ixpk= 1171, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1152,1153,1154,1156,1157,1158,
 igr2= 564, 565,
 &end
#
#   36 ASN  HA           36 ASN  HB+         2.80    (#   1172:25  Unique         2.18, 2.45 A)
 &rst
  ixpk= 1172, nxpk= 25, iat= 562,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 564, 565,
 &end
#
#   36 ASN  HA           36 ASN  HB-         2.80    (#   1173:25  Unique         2.18, 2.45 A)
 &rst
  ixpk= 1173, nxpk= 25, iat= 562,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 564, 565,
 &end
#
#   36 ASN  HD2-         36 ASN  HB+         4.50    (#   1174:25  Unique         2.23, 3.46 A)
 &rst
  ixpk= 1174, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 569, 570,
 igr2= 564, 565,
 &end
#
#   36 ASN  HD2-         36 ASN  HB-         4.50    (#   1175:25  Unique         2.23, 3.46 A)
 &rst
  ixpk= 1175, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 569, 570,
 igr2= 564, 565,
 &end
#
#   36 ASN  HD2+         36 ASN  HB+         4.50    (#   1176:25  Unique         2.23, 3.46 A)
 &rst
  ixpk= 1176, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 569, 570,
 igr2= 564, 565,
 &end
#
#   36 ASN  HD2+         36 ASN  HB-         4.50    (#   1177:25  Unique         2.23, 3.46 A)
 &rst
  ixpk= 1177, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 569, 570,
 igr2= 564, 565,
 &end
#
#   36 ASN  HN           36 ASN  HB+         3.50    (#   1178:25  Unique         2.86, 3.43 A)
 &rst
  ixpk= 1178, nxpk= 25, iat= 560,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 564, 565,
 &end
#
#   36 ASN  HN           36 ASN  HB-         3.50    (#   1179:25  Unique         2.86, 3.43 A)
 &rst
  ixpk= 1179, nxpk= 25, iat= 560,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 564, 565,
 &end
#
#   37 TYR  HN           36 ASN  HB+         5.50    (#   1180:25  Unique         4.25, 4.61 A)
 &rst
  ixpk= 1180, nxpk= 25, iat= 574,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 564, 565,
 &end
#
#   37 TYR  HN           36 ASN  HB-         5.50    (#   1181:25  Unique         4.25, 4.61 A)
 &rst
  ixpk= 1181, nxpk= 25, iat= 574,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 564, 565,
 &end
#
#   37 TYR  HN           37 TYR  HA          4.50    (#   1182:25  Unique         2.91, 2.93 A)
 &rst
  ixpk= 1182, nxpk= 25, iat= 574, 576, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   76 LYS  HN           37 TYR  HA          3.50    (#   1183:25  Unique         2.83, 2.87 A)
 &rst
  ixpk= 1183, nxpk= 25, iat=1162, 576, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   38 ILE  HN           37 TYR  HA          4.50    (#   1185:25  Unique         3.43, 3.46 A)
 &rst
  ixpk= 1185, nxpk= 25, iat= 595, 576, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:1186    37 TYR  HA          4.50    (#   1186:25  Single Ambig)
 &rst
  ixpk= 1186, nxpk= 25, iat=  -1, 576, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 582, 591, 569, 570,
 &end
#
#   37 TYR  HB+          37 TYR  HA          3.50    (#   1188:25  Unique         2.53, 2.81 A)
 &rst
  ixpk= 1188, nxpk= 25, iat=  -1, 576, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 578, 579,
 &end
#
#   37 TYR  HB-          37 TYR  HA          2.80    (#   1189:25  Unique         2.53, 2.81 A)
 &rst
  ixpk= 1189, nxpk= 25, iat=  -1, 576, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 578, 579,
 &end
#
#   76 LYS  HB+          37 TYR  HA          3.50    (#   1190:25  Unique         2.01, 2.93 A)
 &rst
  ixpk= 1190, nxpk= 25, iat=  -1, 576, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1166,1167,
 &end
#
#   75 LEU  HB+          37 TYR  HA          4.50    (#   1191:25  Unique         3.07, 3.85 A)
 &rst
  ixpk= 1191, nxpk= 25, iat=  -1, 576, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1147,1148,
 &end
#
#    0 AMB  25-2:1192    37 TYR  HA          2.80    (#   1192:25  Single Ambig)
 &rst
  ixpk= 1192, nxpk= 25, iat=  -1, 576, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1166,1167,1172,1173,1169,1170,
 &end
#
#   75 LEU  MDX          37 TYR  HA          5.50    (#   1193:25  Unique         4.46, 6.28 A)
 &rst
  ixpk= 1193, nxpk= 25, iat=  -1, 576, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1152,1153,1154,1156,1157,1158,
 &end
#
#   32 LEU  MDY          37 TYR  HB+         4.50    (#   1194:25  Unique         2.55, 4.36 A)
 &rst
  ixpk= 1194, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 497, 498, 499, 501, 502, 503,
 igr2= 578, 579,
 &end
#
#   32 LEU  MDY          37 TYR  HB-         4.50    (#   1195:25  Unique         2.55, 4.36 A)
 &rst
  ixpk= 1195, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 497, 498, 499, 501, 502, 503,
 igr2= 578, 579,
 &end
#
#   38 ILE  QG2          37 TYR  HB+         4.50    (#   1196:25  Unique         2.90, 4.21 A)
 &rst
  ixpk= 1196, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 601, 602, 603,
 igr2= 578, 579,
 &end
#
#   32 LEU  MDX          37 TYR  HB+         5.50    (#   1198:25  Unique         2.55, 4.36 A)
 &rst
  ixpk= 1198, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 497, 498, 499, 501, 502, 503,
 igr2= 578, 579,
 &end
#
#   32 LEU  MDX          37 TYR  HB-         5.50    (#   1199:25  Unique         2.55, 4.36 A)
 &rst
  ixpk= 1199, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 497, 498, 499, 501, 502, 503,
 igr2= 578, 579,
 &end
#
#    0 AMB  25-2:1200     0 AMB  25-1:1200   4.50    (#   1200:25  Double Ambig)
 &rst
  ixpk= 1200, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1=1166,1167,1172,1173,
 igr2= 578, 579, 578, 579,
 &end
#
#    0 AMB  25-2:1201     0 AMB  25-1:1201   3.50    (#   1201:25  Double Ambig)
 &rst
  ixpk= 1201, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 492, 493, 605, 606,
 igr2= 578, 579, 578, 579,
 &end
#
#    0 AMB  25-2:1202    37 TYR  HB-         4.50    (#   1202:25  Single Ambig)
 &rst
  ixpk= 1202, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1166,1167,1172,1173,
 igr2= 578, 579,
 &end
#
#    0 AMB  25-2:1203    37 TYR  HB-         4.50    (#   1203:25  Single Ambig)
 &rst
  ixpk= 1203, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 492, 493, 605, 606,
 igr2= 578, 579,
 &end
#
#    0 AMB  25-2:1204     0 AMB  25-1:1204   5.50    (#   1204:25  Double Ambig)
 &rst
  ixpk= 1204, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 495,1147,1148,
 igr2= 578, 579, 578, 579,
 &end
#
#   32 LEU  HB+          37 TYR  HB+         5.50    (#   1205:25  Unique         2.15, 3.43 A)
 &rst
  ixpk= 1205, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 492, 493,
 igr2= 578, 579,
 &end
#
#   32 LEU  HB+          37 TYR  HB-         5.50    (#   1206:25  Unique         2.15, 3.43 A)
 &rst
  ixpk= 1206, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 492, 493,
 igr2= 578, 579,
 &end
#
#   37 TYR  HA           37 TYR  HB+         3.50    (#   1207:25  Unique         2.53, 2.81 A)
 &rst
  ixpk= 1207, nxpk= 25, iat= 576,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 578, 579,
 &end
#
#   37 TYR  HA           37 TYR  HB-         2.80    (#   1208:25  Unique         2.53, 2.81 A)
 &rst
  ixpk= 1208, nxpk= 25, iat= 576,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 578, 579,
 &end
#
#   37 TYR  HD           37 TYR  HB+         3.50    (#   1211:25  Unique         2.32, 3.08 A)
 &rst
  ixpk= 1211, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 582, 591,
 igr2= 578, 579,
 &end
#
#   37 TYR  HD           37 TYR  HB-         3.50    (#   1212:25  Unique         2.32, 3.08 A)
 &rst
  ixpk= 1212, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 582, 591,
 igr2= 578, 579,
 &end
#
#   38 ILE  HN           37 TYR  HB+         3.50    (#   1215:25  Unique         3.11, 3.52 A)
 &rst
  ixpk= 1215, nxpk= 25, iat= 595,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 578, 579,
 &end
#
#   37 TYR  HN           37 TYR  HB+         3.50    (#   1217:25  Unique         2.29, 2.96 A)
 &rst
  ixpk= 1217, nxpk= 25, iat= 574,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 578, 579,
 &end
#
#   37 TYR  HN           37 TYR  HB-         3.50    (#   1218:25  Unique         2.29, 2.96 A)
 &rst
  ixpk= 1218, nxpk= 25, iat= 574,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 578, 579,
 &end
#
#   37 TYR  HN           38 ILE  HA          5.50    (#   1219:25  Unique         5.12, 5.17 A)
 &rst
  ixpk= 1219, nxpk= 25, iat= 574, 597, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   39 SER  HN           38 ILE  HA          2.80    (#   1220:25  Unique         2.34, 2.44 A)
 &rst
  ixpk= 1220, nxpk= 25, iat= 614, 597, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   75 LEU  HN           38 ILE  HA          2.80    (#   1221:25  Unique         2.58, 2.74 A)
 &rst
  ixpk= 1221, nxpk= 25, iat=1143, 597, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   38 ILE  HN           38 ILE  HA          4.50    (#   1222:25  Unique         2.93, 2.95 A)
 &rst
  ixpk= 1222, nxpk= 25, iat= 595, 597, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   74 ALA  HA           38 ILE  HA          3.50    (#   1224:25  Unique         2.27, 2.35 A)
 &rst
  ixpk= 1224, nxpk= 25, iat=1135, 597, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:1225    38 ILE  HA          5.50    (#   1225:25  Single Ambig)
 &rst
  ixpk= 1225, nxpk= 25, iat=  -1, 597, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 618, 619, 656,
 &end
#
#    0 AMB  25-2:1227    38 ILE  HA          4.50    (#   1227:25  Single Ambig)
 &rst
  ixpk= 1227, nxpk= 25, iat=  -1, 597, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 658, 659,1604,1605,
 &end
#
#   42 TYR  HB-          38 ILE  HA          4.50    (#   1228:25  Unique         4.04, 4.34 A)
 &rst
  ixpk= 1228, nxpk= 25, iat=  -1, 597, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 658, 659,
 &end
#
#   38 ILE  HB           38 ILE  HA          3.50    (#   1229:25  Unique         2.48, 2.49 A)
 &rst
  ixpk= 1229, nxpk= 25, iat= 599, 597, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:1230    38 ILE  HA          3.50    (#   1230:25  Single Ambig)
 &rst
  ixpk= 1230, nxpk= 25, iat=  -1, 597, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1150,1147,1148,
 &end
#
#    0 AMB  25-2:1231    38 ILE  HA          4.50    (#   1231:25  Single Ambig)
 &rst
  ixpk= 1231, nxpk= 25, iat=  -1, 597, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1= 605, 606,1137,1138,1139,
 &end
#
#    0 AMB  25-2:1232    38 ILE  HA          4.50    (#   1232:25  Single Ambig)
 &rst
  ixpk= 1232, nxpk= 25, iat=  -1, 597, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 608, 609, 610, 688, 689, 690,
 &end
#
#   75 LEU  MDX          38 ILE  HA          3.50    (#   1233:25  Unique         3.48, 4.75 A)
 &rst
  ixpk= 1233, nxpk= 25, iat=  -1, 597, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1152,1153,1154,1156,1157,1158,
 &end
#
#   38 ILE  QG2          38 ILE  HA          2.80    (#   1234:25  Unique         2.46, 3.14 A)
 &rst
  ixpk= 1234, nxpk= 25, iat=  -1, 597, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 601, 602, 603,
 &end
#
#   38 ILE  QG2          38 ILE  HB          2.80    (#   1235:25  Unique         2.38, 2.64 A)
 &rst
  ixpk= 1235, nxpk= 25, iat=  -1, 599, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 601, 602, 603,
 &end
#
#   42 TYR  HB-          38 ILE  HB          3.50    (#   1238:25  Unique         2.25, 2.67 A)
 &rst
  ixpk= 1238, nxpk= 25, iat=  -1, 599, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 658, 659,
 &end
#
#   42 TYR  HB+          38 ILE  HB          3.50    (#   1239:25  Unique         2.25, 2.67 A)
 &rst
  ixpk= 1239, nxpk= 25, iat=  -1, 599, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 658, 659,
 &end
#
#  140 LEU  HA          140 LEU  HB+         2.80    (#   1240:25  Unique         2.42, 2.77 A)
 &rst
  ixpk= 1240, nxpk= 25, iat=2124,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=2126,2127,
 &end
#
#    0 AMB  25-2:1241     0 AMB  25-1:1241   2.80    (#   1241:25  Double Ambig)
 &rst
  ixpk= 1241, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=2005,1777,
 igr2=2007,2008,1824,1825,
 &end
#
#    0 AMB  25-2:1242    38 ILE  HB          3.50    (#   1242:25  Single Ambig)
 &rst
  ixpk= 1242, nxpk= 25, iat=  -1, 599, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1135, 509,
 &end
#
#   38 ILE  HA           38 ILE  HB          3.50    (#   1243:25  Unique         2.48, 2.49 A)
 &rst
  ixpk= 1243, nxpk= 25, iat= 597, 599, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   42 TYR  HD           38 ILE  HB          4.50    (#   1244:25  Unique         2.78, 3.83 A)
 &rst
  ixpk= 1244, nxpk= 25, iat=  -1, 599, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 662, 671,
 &end
#
#    0 AMB  25-2:1245     0 AMB  25-1:1245   4.50    (#   1245:25  Double Ambig)
 &rst
  ixpk= 1245, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 675,2036,
 igr2= 599,2007,2008,
 &end
#
#   38 ILE  HN           38 ILE  HB          5.50    (#   1246:25  Unique         3.81, 3.83 A)
 &rst
  ixpk= 1246, nxpk= 25, iat= 595, 599, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   39 SER  HN           38 ILE  HB          3.50    (#   1247:25  Unique         2.13, 2.40 A)
 &rst
  ixpk= 1247, nxpk= 25, iat= 614, 599, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   38 ILE  HN           38 ILE  HG1+        4.50    (#   1248:25  Unique         2.32, 2.65 A)
 &rst
  ixpk= 1248, nxpk= 25, iat= 595,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 605, 606,
 &end
#
#   76 LYS  HA           76 LYS  HG+         3.50    (#   1250:25  Unique         2.49, 2.98 A)
 &rst
  ixpk= 1250, nxpk= 25, iat=1164,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1169,1170,
 &end
#
#   33 LEU  HA           38 ILE  HG1+        3.50    (#   1251:25  Unique         2.16, 2.37 A)
 &rst
  ixpk= 1251, nxpk= 25, iat= 509,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 605, 606,
 &end
#
#   38 ILE  HB           38 ILE  HG1+        3.50    (#   1252:25  Unique         2.46, 2.77 A)
 &rst
  ixpk= 1252, nxpk= 25, iat= 599,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 605, 606,
 &end
#
#    0 AMB  25-2:1255    38 ILE  HG1-        2.80    (#   1255:25  Single Ambig)
 &rst
  ixpk= 1255, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 608, 609, 610, 688, 689, 690,
 igr2= 605, 606,
 &end
#
#   38 ILE  HB           38 ILE  HG1-        4.50    (#   1257:25  Unique         2.46, 2.77 A)
 &rst
  ixpk= 1257, nxpk= 25, iat= 599,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 605, 606,
 &end
#
#   33 LEU  HA           38 ILE  HG1-        3.50    (#   1258:25  Unique         2.16, 2.37 A)
 &rst
  ixpk= 1258, nxpk= 25, iat= 509,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 605, 606,
 &end
#
#   38 ILE  HN           38 ILE  HG1-        4.50    (#   1259:25  Unique         2.32, 2.65 A)
 &rst
  ixpk= 1259, nxpk= 25, iat= 595,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 605, 606,
 &end
#
#   33 LEU  HN           38 ILE  QD1         4.50    (#   1260:25  Unique         2.60, 3.62 A)
 &rst
  ixpk= 1260, nxpk= 25, iat= 507,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 608, 609, 610,
 &end
#
#   38 ILE  HN           38 ILE  QD1         5.50    (#   1261:25  Unique         4.62, 4.78 A)
 &rst
  ixpk= 1261, nxpk= 25, iat= 595,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 608, 609, 610,
 &end
#
#   43 ILE  HN           38 ILE  QD1         3.50    (#   1262:25  Unique         3.57, 4.72 A)
 &rst
  ixpk= 1262, nxpk= 25, iat= 675,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 608, 609, 610,
 &end
#
#   42 TYR  HD           38 ILE  QD1         3.50    (#   1263:25  Unique         2.31, 5.01 A)
 &rst
  ixpk= 1263, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 662, 671,
 igr2= 608, 609, 610,
 &end
#
#   33 LEU  HA           38 ILE  QD1         3.50    (#   1265:25  Unique         3.11, 3.91 A)
 &rst
  ixpk= 1265, nxpk= 25, iat= 509,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 608, 609, 610,
 &end
#
#   42 TYR  HB+          38 ILE  QD1         3.50    (#   1266:25  Unique         2.44, 4.76 A)
 &rst
  ixpk= 1266, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 658, 659,
 igr2= 608, 609, 610,
 &end
#
#   42 TYR  HB-          38 ILE  QD1         4.50    (#   1267:25  Unique         2.44, 4.76 A)
 &rst
  ixpk= 1267, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 658, 659,
 igr2= 608, 609, 610,
 &end
#
#   29 MET  HG+          38 ILE  QD1         4.50    (#   1268:25  Unique         3.95, 4.94 A)
 &rst
  ixpk= 1268, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 451, 452,
 igr2= 608, 609, 610,
 &end
#
#   29 MET  HG-          38 ILE  QD1         5.50    (#   1269:25  Unique         3.95, 4.94 A)
 &rst
  ixpk= 1269, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 451, 452,
 igr2= 608, 609, 610,
 &end
#
#   33 LEU  HB-          38 ILE  QD1         2.80    (#   1270:25  Unique         2.21, 4.18 A)
 &rst
  ixpk= 1270, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 511, 512,
 igr2= 608, 609, 610,
 &end
#
#    0 AMB  25-2:1271    38 ILE  QD1         2.80    (#   1271:25  Single Ambig)
 &rst
  ixpk= 1271, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 685, 686, 492, 493, 448, 449,
 igr2= 608, 609, 610,
 &end
#
#   38 ILE  HG1+         38 ILE  QD1         2.80    (#   1273:25  Unique         2.35, 2.63 A)
 &rst
  ixpk= 1273, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 605, 606,
 igr2= 608, 609, 610,
 &end
#
#    0 AMB  25-2:1275    38 ILE  QD1         2.80    (#   1275:25  Single Ambig)
 &rst
  ixpk= 1275, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15,
 igr1= 601, 602, 603, 605, 606,
 igr2= 608, 609, 610,
 &end
#
#   32 LEU  MDY          38 ILE  QG2         4.50    (#   1276:25  Unique         3.07, 5.29 A)
 &rst
  ixpk= 1276, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 497, 498, 499, 501, 502, 503,
 igr2= 601, 602, 603,
 &end
#
#   38 ILE  QD1          38 ILE  QG2         2.80    (#   1277:25  Unique         2.19, 3.68 A)
 &rst
  ixpk= 1277, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 608, 609, 610,
 igr2= 601, 602, 603,
 &end
#
#    0 AMB  25-2:1278    38 ILE  QG2         2.80    (#   1278:25  Single Ambig)
 &rst
  ixpk= 1278, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 492, 493, 605, 606,
 igr2= 601, 602, 603,
 &end
#
#    0 AMB  25-2:1279    38 ILE  QG2         4.50    (#   1279:25  Single Ambig)
 &rst
  ixpk= 1279, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.47, r4= 8.22,
 igr1=1150,1147,1148,1166,1167, 511, 512,
 igr2= 601, 602, 603,
 &end
#
#    0 AMB  25-2:1280    38 ILE  QG2         5.50    (#   1280:25  Single Ambig)
 &rst
  ixpk= 1280, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 495,1147,1148,
 igr2= 601, 602, 603,
 &end
#
#   38 ILE  HB           38 ILE  QG2         2.80    (#   1281:25  Unique         2.38, 2.64 A)
 &rst
  ixpk= 1281, nxpk= 25, iat= 599,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 601, 602, 603,
 &end
#
#   37 TYR  HB+          38 ILE  QG2         3.50    (#   1282:25  Unique         2.90, 4.21 A)
 &rst
  ixpk= 1282, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 578, 579,
 igr2= 601, 602, 603,
 &end
#
#  104 SER  HB-          38 ILE  QG2         3.50    (#   1283:25  Unique         2.30, 2.73 A)
 &rst
  ixpk= 1283, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1604,1605,
 igr2= 601, 602, 603,
 &end
#
#    0 AMB  25-2:1284    38 ILE  QG2         3.50    (#   1284:25  Single Ambig)
 &rst
  ixpk= 1284, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 578, 579, 658, 659,
 igr2= 601, 602, 603,
 &end
#
#  104 SER  HB+          38 ILE  QG2         3.50    (#   1285:25  Unique         2.30, 2.73 A)
 &rst
  ixpk= 1285, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1604,1605,
 igr2= 601, 602, 603,
 &end
#
#    0 AMB  25-2:1286    38 ILE  QG2         4.50    (#   1286:25  Single Ambig)
 &rst
  ixpk= 1286, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 490, 656, 618, 619,
 igr2= 601, 602, 603,
 &end
#
#   74 ALA  HA           38 ILE  QG2         2.80    (#   1287:25  Unique         2.06, 3.32 A)
 &rst
  ixpk= 1287, nxpk= 25, iat=1135,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 601, 602, 603,
 &end
#
#  104 SER  HA           38 ILE  QG2         4.50    (#   1288:25  Unique         3.93, 4.43 A)
 &rst
  ixpk= 1288, nxpk= 25, iat=1602,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 601, 602, 603,
 &end
#
#    0 AMB  25-2:1289    38 ILE  QG2         5.50    (#   1289:25  Single Ambig)
 &rst
  ixpk= 1289, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1=1128,1129, 616,
 igr2= 601, 602, 603,
 &end
#
#   38 ILE  HA           38 ILE  QG2         3.50    (#   1290:25  Unique         2.46, 3.14 A)
 &rst
  ixpk= 1290, nxpk= 25, iat= 597,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 601, 602, 603,
 &end
#
#   67 HIS  HD2          38 ILE  QG2         5.50    (#   1291:25  Unique         6.36, 6.76 A)
 &rst
  ixpk= 1291, nxpk= 25, iat=1048,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 601, 602, 603,
 &end
#
#   42 TYR  HD           38 ILE  QG2         5.50    (#   1292:25  Unique         2.72, 4.47 A)
 &rst
  ixpk= 1292, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 662, 671,
 igr2= 601, 602, 603,
 &end
#
#   38 ILE  HN           38 ILE  QG2         4.50    (#   1293:25  Unique         3.33, 4.06 A)
 &rst
  ixpk= 1293, nxpk= 25, iat= 595,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 601, 602, 603,
 &end
#
#   43 ILE  HN           38 ILE  QG2         5.50    (#   1294:25  Unique         5.47, 6.38 A)
 &rst
  ixpk= 1294, nxpk= 25, iat= 675,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 601, 602, 603,
 &end
#
#    0 AMB  25-2:1295    38 ILE  QG2         3.50    (#   1295:25  Single Ambig)
 &rst
  ixpk= 1295, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 614,1611,
 igr2= 601, 602, 603,
 &end
#
#   75 LEU  HN           38 ILE  QG2         3.50    (#   1296:25  Unique         3.44, 4.32 A)
 &rst
  ixpk= 1296, nxpk= 25, iat=1143,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 601, 602, 603,
 &end
#
#    0 AMB  25-2:1302    39 SER  HB-         4.50    (#   1302:25  Single Ambig)
 &rst
  ixpk= 1302, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 629, 630, 632, 633,
 igr2= 618, 619,
 &end
#
#    0 AMB  25-2:1303     0 AMB  25-1:1303   5.50    (#   1303:25  Double Ambig)
 &rst
  ixpk= 1303, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1= 629, 630, 632, 633,
 igr2= 618, 619, 618, 619,
 &end
#
#    0 AMB  25-2:1304    39 SER  HB-         5.50    (#   1304:25  Single Ambig)
 &rst
  ixpk= 1304, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 629, 630, 632, 633,
 igr2= 618, 619,
 &end
#
#   41 ASN  HB+          39 SER  HB-         5.50    (#   1305:25  Unique         2.80, 4.45 A)
 &rst
  ixpk= 1305, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 644, 645,
 igr2= 618, 619,
 &end
#
#   41 ASN  HB-          39 SER  HB-         5.50    (#   1306:25  Unique         2.80, 4.45 A)
 &rst
  ixpk= 1306, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 644, 645,
 igr2= 618, 619,
 &end
#
#    0 AMB  25-2:1313    39 SER  HB-         5.50    (#   1313:25  Single Ambig)
 &rst
  ixpk= 1313, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 649, 650, 654,
 igr2= 618, 619,
 &end
#
#    0 AMB  25-2:1314     0 AMB  25-1:1314   5.50    (#   1314:25  Double Ambig)
 &rst
  ixpk= 1314, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 649, 650, 654,
 igr2= 618, 619, 618, 619,
 &end
#
#    0 AMB  25-2:1315    39 SER  HB-         4.50    (#   1315:25  Single Ambig)
 &rst
  ixpk= 1315, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 640, 614,
 igr2= 618, 619,
 &end
#
#    0 AMB  25-2:1316     0 AMB  25-1:1316   4.50    (#   1316:25  Double Ambig)
 &rst
  ixpk= 1316, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 640, 614,
 igr2= 618, 619, 618, 619,
 &end
#
#   40 GLU  HN           39 SER  HB-         3.50    (#   1317:25  Unique         2.58, 3.27 A)
 &rst
  ixpk= 1317, nxpk= 25, iat= 625,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 618, 619,
 &end
#
#   40 GLU  HN           39 SER  HB+         4.50    (#   1318:25  Unique         2.58, 3.27 A)
 &rst
  ixpk= 1318, nxpk= 25, iat= 625,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 618, 619,
 &end
#
#   40 GLU  HN           40 GLU  HA          3.50    (#   1319:25  Unique         2.78, 2.82 A)
 &rst
  ixpk= 1319, nxpk= 25, iat= 625, 627, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  128 LEU  HN          125 GLU  HA          3.50    (#   1320:25  Unique         2.94, 3.08 A)
 &rst
  ixpk= 1320, nxpk= 25, iat=1933,1886, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:1321   125 GLU  HA          4.50    (#   1321:25  Single Ambig)
 &rst
  ixpk= 1321, nxpk= 25, iat=  -1,1886, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1914,1869,
 &end
#
#   43 ILE  HN           40 GLU  HA          4.50    (#   1322:25  Unique         3.13, 3.35 A)
 &rst
  ixpk= 1322, nxpk= 25, iat= 675, 627, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:1326    40 GLU  HA          2.80    (#   1326:25  Single Ambig)
 &rst
  ixpk= 1326, nxpk= 25, iat=  -1, 627, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 632, 633, 629, 630,
 &end
#
#    0 AMB  25-2:1327     0 AMB  25-1:1327   2.80    (#   1327:25  Double Ambig)
 &rst
  ixpk= 1327, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 632, 633,1888,1889, 629, 630,
 igr2= 627,1886,
 &end
#
#  128 LEU  HB-         125 GLU  HA          3.50    (#   1328:25  Unique         2.13, 3.00 A)
 &rst
  ixpk= 1328, nxpk= 25, iat=  -1,1886, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1937,1938,
 &end
#
#    0 AMB  25-2:1329   125 GLU  HA          3.50    (#   1329:25  Single Ambig)
 &rst
  ixpk= 1329, nxpk= 25, iat=  -1,1886, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1937,1938,1940,
 &end
#
#   43 ILE  QD1          40 GLU  HA          2.80    (#   1330:25  Unique         2.46, 3.51 A)
 &rst
  ixpk= 1330, nxpk= 25, iat=  -1, 627, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 688, 689, 690,
 &end
#
#    0 AMB  25-2:1331     0 AMB  25-1:1331   2.80    (#   1331:25  Double Ambig)
 &rst
  ixpk= 1331, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1=1942,1943,1944,1946,1947,1948, 516, 517, 518, 520,
       521, 522,
 igr2=1886, 627,
 &end
#
#    0 AMB  25-2:1332    40 GLU  HB-         5.50    (#   1332:25  Single Ambig)
 &rst
  ixpk= 1332, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.06, r4= 9.81,
 igr1= 516, 517, 518, 520, 521, 522, 681, 682, 683, 514,
      
 igr2= 629, 630,
 &end
#
#   16 HIS  HB+          85 GLU  HB+         5.50    (#   1333:25  Unique         3.81, 5.37 A)
 &rst
  ixpk= 1333, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 248, 249,
 igr2=1308,1309,
 &end
#
#   16 HIS  HA           85 GLU  HB-         2.80    (#   1335:25  Unique         2.08, 3.09 A)
 &rst
  ixpk= 1335, nxpk= 25, iat= 246,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1308,1309,
 &end
#
#    0 AMB  25-2:1339     0 AMB  25-1:1339   2.80    (#   1339:25  Double Ambig)
 &rst
  ixpk= 1339, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1=1914,1869,1820,
 igr2=1903,1904,1873,1874,1873,1874,1809,1810,
 &end
#
#   86 GLN  HN           85 GLU  HB+         4.50    (#   1340:25  Unique         2.60, 3.46 A)
 &rst
  ixpk= 1340, nxpk= 25, iat=1319,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1308,1309,
 &end
#
#   85 GLU  HN           85 GLU  HB+         3.50    (#   1341:25  Unique         2.27, 3.01 A)
 &rst
  ixpk= 1341, nxpk= 25, iat=1304,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1308,1309,
 &end
#
#   85 GLU  HN           85 GLU  HB-         3.50    (#   1342:25  Unique         2.27, 3.01 A)
 &rst
  ixpk= 1342, nxpk= 25, iat=1304,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1308,1309,
 &end
#
#   40 GLU  HN           40 GLU  HB-         5.50    (#   1343:25  Unique         2.43, 3.05 A)
 &rst
  ixpk= 1343, nxpk= 25, iat= 625,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 629, 630,
 &end
#
#   40 GLU  HN           40 GLU  HB+         2.80    (#   1344:25  Unique         2.43, 3.05 A)
 &rst
  ixpk= 1344, nxpk= 25, iat= 625,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 629, 630,
 &end
#
#   40 GLU  HN           40 GLU  HG+         3.50    (#   1345:25  Unique         2.12, 2.83 A)
 &rst
  ixpk= 1345, nxpk= 25, iat= 625,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 632, 633,
 &end
#
#   40 GLU  HN           40 GLU  HG-         5.50    (#   1346:25  Unique         2.12, 2.83 A)
 &rst
  ixpk= 1346, nxpk= 25, iat= 625,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 632, 633,
 &end
#
#    0 AMB  25-2:1349     0 AMB  25-1:1349   4.50    (#   1349:25  Double Ambig)
 &rst
  ixpk= 1349, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 618, 619, 642,
 igr2= 632, 633, 632, 633,
 &end
#
#   40 GLU  HA           40 GLU  HG+         2.80    (#   1350:25  Unique         2.36, 2.79 A)
 &rst
  ixpk= 1350, nxpk= 25, iat= 627,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 632, 633,
 &end
#
#   85 GLU  HA           85 GLU  HG-         2.80    (#   1351:25  Unique         2.48, 2.92 A)
 &rst
  ixpk= 1351, nxpk= 25, iat=1306,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1311,1312,
 &end
#
#   33 LEU  MDY          40 GLU  HG+         5.50    (#   1352:25  Unique         2.19, 3.62 A)
 &rst
  ixpk= 1352, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 516, 517, 518, 520, 521, 522,
 igr2= 632, 633,
 &end
#
#   33 LEU  MDX          40 GLU  HG+         2.80    (#   1353:25  Unique         2.19, 3.62 A)
 &rst
  ixpk= 1353, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 516, 517, 518, 520, 521, 522,
 igr2= 632, 633,
 &end
#
#    0 AMB  25-2:1354     0 AMB  25-1:1354   4.50    (#   1354:25  Double Ambig)
 &rst
  ixpk= 1354, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
 igr1= 516, 517, 518, 520, 521, 522,1275,1276,1277,1279,
      1280,1281,
 igr2= 632, 633,1311,1312,
 &end
#
#   14 VAL  MGX          85 GLU  HG-         4.50    (#   1355:25  Unique         2.62, 5.34 A)
 &rst
  ixpk= 1355, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 215, 216, 217, 219, 220, 221,
 igr2=1311,1312,
 &end
#
#   44 GLN  HB+          41 ASN  HA          2.80    (#   1357:25  Unique         2.42, 3.14 A)
 &rst
  ixpk= 1357, nxpk= 25, iat=  -1, 642, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 698, 699,
 &end
#
#   41 ASN  HB-          41 ASN  HA          2.80    (#   1358:25  Unique         2.18, 2.66 A)
 &rst
  ixpk= 1358, nxpk= 25, iat=  -1, 642, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 644, 645,
 &end
#
#   44 GLN  HN           41 ASN  HA          3.50    (#   1360:25  Unique         2.95, 3.21 A)
 &rst
  ixpk= 1360, nxpk= 25, iat= 694, 642, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   43 ILE  HN           41 ASN  HA          4.50    (#   1361:25  Unique         4.23, 4.42 A)
 &rst
  ixpk= 1361, nxpk= 25, iat= 675, 642, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:1362    41 ASN  HA          3.50    (#   1362:25  Single Ambig)
 &rst
  ixpk= 1362, nxpk= 25, iat=  -1, 642, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 654, 649, 650,
 &end
#
#   41 ASN  HN           41 ASN  HA          3.50    (#   1363:25  Unique         2.82, 2.84 A)
 &rst
  ixpk= 1363, nxpk= 25, iat= 640, 642, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   41 ASN  HN           41 ASN  HB-         4.50    (#   1364:25  Unique         2.24, 2.70 A)
 &rst
  ixpk= 1364, nxpk= 25, iat= 640,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 644, 645,
 &end
#
#   41 ASN  HN           41 ASN  HB+         4.50    (#   1365:25  Unique         2.24, 2.70 A)
 &rst
  ixpk= 1365, nxpk= 25, iat= 640,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 644, 645,
 &end
#
#    0 AMB  25-2:1366    41 ASN  HB-         3.50    (#   1366:25  Single Ambig)
 &rst
  ixpk= 1366, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 649, 650, 654,
 igr2= 644, 645,
 &end
#
#    0 AMB  25-2:1367     0 AMB  25-1:1367   3.50    (#   1367:25  Double Ambig)
 &rst
  ixpk= 1367, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 649, 650, 654,
 igr2= 644, 645, 644, 645,
 &end
#
#    0 AMB  25-2:1370    41 ASN  HB-         2.80    (#   1370:25  Single Ambig)
 &rst
  ixpk= 1370, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 642, 618, 619,
 igr2= 644, 645,
 &end
#
#    0 AMB  25-2:1371     0 AMB  25-1:1371   2.80    (#   1371:25  Double Ambig)
 &rst
  ixpk= 1371, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 642, 618, 619,
 igr2= 644, 645, 644, 645,
 &end
#
#    0 AMB  25-2:1374    41 ASN  HB-         5.50    (#   1374:25  Single Ambig)
 &rst
  ixpk= 1374, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 698, 699, 629, 630,
 igr2= 644, 645,
 &end
#
#    0 AMB  25-2:1375     0 AMB  25-1:1375   5.50    (#   1375:25  Double Ambig)
 &rst
  ixpk= 1375, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1= 698, 699, 629, 630,
 igr2= 644, 645, 644, 645,
 &end
#
#    0 AMB  25-2:1376    42 TYR  HA          5.50    (#   1376:25  Single Ambig)
 &rst
  ixpk= 1376, nxpk= 25, iat=  -1, 656, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 734, 735, 736, 601, 602, 603,
 &end
#
#   68 ALA  MB           42 TYR  HA          4.50    (#   1377:25  Unique         3.82, 4.43 A)
 &rst
  ixpk= 1377, nxpk= 25, iat=  -1, 656, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1056,1057,1058,
 &end
#
#   45 ALA  MB           42 TYR  HA          3.50    (#   1379:25  Unique         2.72, 3.54 A)
 &rst
  ixpk= 1379, nxpk= 25, iat=  -1, 656, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 715, 716, 717,
 &end
#
#    0 AMB  25-2:1380    42 TYR  HA          5.50    (#   1380:25  Single Ambig)
 &rst
  ixpk= 1380, nxpk= 25, iat=  -1, 656, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 599, 725,
 &end
#
#    0 AMB  25-2:1381    42 TYR  HA          2.80    (#   1381:25  Single Ambig)
 &rst
  ixpk= 1381, nxpk= 25, iat=  -1, 656, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 658, 659,1119,1120,
 &end
#
#   42 TYR  HB+          42 TYR  HA          3.50    (#   1382:25  Unique         2.47, 2.78 A)
 &rst
  ixpk= 1382, nxpk= 25, iat=  -1, 656, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 658, 659,
 &end
#
#   42 TYR  HD           42 TYR  HA          3.50    (#   1385:25  Unique         2.81, 3.58 A)
 &rst
  ixpk= 1385, nxpk= 25, iat=  -1, 656, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 662, 671,
 &end
#
#   43 ILE  HN           42 TYR  HA          4.50    (#   1386:25  Unique         3.55, 3.58 A)
 &rst
  ixpk= 1386, nxpk= 25, iat= 675, 656, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   46 ILE  HN           42 TYR  HA          5.50    (#   1388:25  Unique         4.29, 4.66 A)
 &rst
  ixpk= 1388, nxpk= 25, iat= 721, 656, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  25-2:1389    42 TYR  HA          3.50    (#   1389:25  Single Ambig)
 &rst
  ixpk= 1389, nxpk= 25, iat=  -1, 656, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 654, 649, 650,
 &end
#
#   45 ALA  HN           42 TYR  HA          4.50    (#   1390:25  Unique         3.19, 3.39 A)
 &rst
  ixpk= 1390, nxpk= 25, iat= 711, 656, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:1391    42 TYR  HA          5.50    (#   1391:25  Single Ambig)
 &rst
  ixpk= 1391, nxpk= 25, iat=  -1, 656, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 614, 640,
 &end
#
#   39 SER  HN           42 TYR  HB+         4.50    (#   1393:25  Unique         2.61, 2.98 A)
 &rst
  ixpk= 1393, nxpk= 25, iat= 614,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 658, 659,
 &end
#
#   39 SER  HN           42 TYR  HB-         4.50    (#   1394:25  Unique         2.61, 2.98 A)
 &rst
  ixpk= 1394, nxpk= 25, iat= 614,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 658, 659,
 &end
#
#   42 TYR  HN           42 TYR  HB+         3.50    (#   1395:25  Unique         2.27, 2.43 A)
 &rst
  ixpk= 1395, nxpk= 25, iat= 654,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 658, 659,
 &end
#
#   42 TYR  HN           42 TYR  HB-         3.50    (#   1396:25  Unique         2.27, 2.43 A)
 &rst
  ixpk= 1396, nxpk= 25, iat= 654,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 658, 659,
 &end
#
#   43 ILE  HN           42 TYR  HB+         4.50    (#   1397:25  Unique         2.33, 3.08 A)
 &rst
  ixpk= 1397, nxpk= 25, iat= 675,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 658, 659,
 &end
#
#   42 TYR  HD           42 TYR  HB+         4.50    (#   1398:25  Unique         2.38, 3.06 A)
 &rst
  ixpk= 1398, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 662, 671,
 igr2= 658, 659,
 &end
#
#   42 TYR  HD           42 TYR  HB-         4.50    (#   1401:25  Unique         2.38, 3.06 A)
 &rst
  ixpk= 1401, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 662, 671,
 igr2= 658, 659,
 &end
#
#   43 ILE  HN           42 TYR  HB-         4.50    (#   1402:25  Unique         2.33, 3.08 A)
 &rst
  ixpk= 1402, nxpk= 25, iat= 675,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 658, 659,
 &end
#
#   38 ILE  HA           42 TYR  HB+         5.50    (#   1403:25  Unique         4.04, 4.34 A)
 &rst
  ixpk= 1403, nxpk= 25, iat= 597,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 658, 659,
 &end
#
#   73 GLY  HA+          42 TYR  HB-         4.50    (#   1405:25  Unique         2.31, 4.22 A)
 &rst
  ixpk= 1405, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1128,1129,
 igr2= 658, 659,
 &end
#
#    0 AMB  25-2:1406     0 AMB  25-1:1406   4.50    (#   1406:25  Double Ambig)
 &rst
  ixpk= 1406, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 656, 618, 619,
 igr2= 658, 659, 658, 659,
 &end
#
#    0 AMB  25-2:1407    42 TYR  HB-         4.50    (#   1407:25  Single Ambig)
 &rst
  ixpk= 1407, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 656, 618, 619,
 igr2= 658, 659,
 &end
#
#   38 ILE  HB           42 TYR  HB+         4.50    (#   1413:25  Unique         2.25, 2.67 A)
 &rst
  ixpk= 1413, nxpk= 25, iat= 599,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 658, 659,
 &end
#
#   38 ILE  HB           42 TYR  HB-         4.50    (#   1414:25  Unique         2.25, 2.67 A)
 &rst
  ixpk= 1414, nxpk= 25, iat= 599,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 658, 659,
 &end
#
#    0 AMB  25-2:1415     0 AMB  25-1:1415   4.50    (#   1415:25  Double Ambig)
 &rst
  ixpk= 1415, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 608, 609, 610, 688, 689, 690,
 igr2= 658, 659, 658, 659,
 &end
#
#   38 ILE  HG1+         42 TYR  HB+         5.50    (#   1416:25  Unique         3.73, 5.04 A)
 &rst
  ixpk= 1416, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 605, 606,
 igr2= 658, 659,
 &end
#
#    0 AMB  25-2:1417    42 TYR  HB-         4.50    (#   1417:25  Single Ambig)
 &rst
  ixpk= 1417, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 608, 609, 610, 688, 689, 690,
 igr2= 658, 659,
 &end
#
#   38 ILE  HG1+         42 TYR  HB-         5.50    (#   1418:25  Unique         3.73, 5.04 A)
 &rst
  ixpk= 1418, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 605, 606,
 igr2= 658, 659,
 &end
#
#    0 AMB  25-2:1419     0 AMB  25-1:1419   5.50    (#   1419:25  Double Ambig)
 &rst
  ixpk= 1419, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1= 516, 517, 518, 520, 521, 522, 681, 682, 683,
 igr2= 658, 659, 658, 659,
 &end
#
#   38 ILE  QG2          42 TYR  HB+         4.50    (#   1420:25  Unique         3.66, 4.58 A)
 &rst
  ixpk= 1420, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 601, 602, 603,
 igr2= 658, 659,
 &end
#
#   38 ILE  QG2          42 TYR  HB-         4.50    (#   1421:25  Unique         3.66, 4.58 A)
 &rst
  ixpk= 1421, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 601, 602, 603,
 igr2= 658, 659,
 &end
#
#   46 ILE  QD1          43 ILE  HA          3.50    (#   1422:25  Unique         2.28, 3.62 A)
 &rst
  ixpk= 1422, nxpk= 25, iat=  -1, 677, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 734, 735, 736,
 &end
#
#   43 ILE  HG1-         43 ILE  HA          3.50    (#   1423:25  Unique         2.32, 2.82 A)
 &rst
  ixpk= 1423, nxpk= 25, iat=  -1, 677, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 685, 686,
 &end
#
#   43 ILE  QD1          43 ILE  HA          3.50    (#   1425:25  Unique         2.76, 4.58 A)
 &rst
  ixpk= 1425, nxpk= 25, iat=  -1, 677, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 688, 689, 690,
 &end
#
#   45 ALA  MB           43 ILE  HA          5.50    (#   1426:25  Unique         5.05, 6.02 A)
 &rst
  ixpk= 1426, nxpk= 25, iat=  -1, 677, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 715, 716, 717,
 &end
#
#   46 ILE  HG1-         43 ILE  HA          4.50    (#   1427:25  Unique         2.70, 4.05 A)
 &rst
  ixpk= 1427, nxpk= 25, iat=  -1, 677, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 731, 732,
 &end
#
#    0 AMB  25-2:1428    43 ILE  HA          2.80    (#   1428:25  Single Ambig)
 &rst
  ixpk= 1428, nxpk= 25, iat=  -1, 677, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 685, 686, 679,
 &end
#
#   29 MET  HG-          43 ILE  HA          5.50    (#   1429:25  Unique         2.75, 3.80 A)
 &rst
  ixpk= 1429, nxpk= 25, iat=  -1, 677, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 451, 452,
 &end
#
#   29 MET  HG+          43 ILE  HA          4.50    (#   1430:25  Unique         2.75, 3.80 A)
 &rst
  ixpk= 1430, nxpk= 25, iat=  -1, 677, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 451, 452,
 &end
#
#   42 TYR  HD           43 ILE  HA          5.50    (#   1436:25  Unique         3.16, 5.01 A)
 &rst
  ixpk= 1436, nxpk= 25, iat=  -1, 677, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 662, 671,
 &end
#
#   43 ILE  HN           43 ILE  HA          3.50    (#   1437:25  Unique         2.81, 2.83 A)
 &rst
  ixpk= 1437, nxpk= 25, iat= 675, 677, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   44 GLN  HN           43 ILE  HA          4.50    (#   1438:25  Unique         3.62, 3.63 A)
 &rst
  ixpk= 1438, nxpk= 25, iat= 694, 677, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   46 ILE  HN           43 ILE  HA          4.50    (#   1439:25  Unique         3.39, 3.49 A)
 &rst
  ixpk= 1439, nxpk= 25, iat= 721, 677, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:1440    43 ILE  HA          5.50    (#   1440:25  Single Ambig)
 &rst
  ixpk= 1440, nxpk= 25, iat=  -1, 677, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 740, 654,
 &end
#
#   45 ALA  HN           43 ILE  HA          5.50    (#   1441:25  Unique         4.22, 4.34 A)
 &rst
  ixpk= 1441, nxpk= 25, iat= 711, 677, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   44 GLN  HN           43 ILE  HB          3.50    (#   1443:25  Unique         2.58, 2.67 A)
 &rst
  ixpk= 1443, nxpk= 25, iat= 694, 679, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   43 ILE  HN           43 ILE  HB          3.50    (#   1444:25  Unique         2.07, 2.47 A)
 &rst
  ixpk= 1444, nxpk= 25, iat= 675, 679, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  109 ASP  HA          112 ILE  HB          3.50    (#   1445:25  Unique         2.08, 2.26 A)
 &rst
  ixpk= 1445, nxpk= 25, iat=1655,1697, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   40 GLU  HA           43 ILE  HB          3.50    (#   1446:25  Unique         2.66, 3.08 A)
 &rst
  ixpk= 1446, nxpk= 25, iat= 627, 679, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  112 ILE  HA          112 ILE  HB          3.50    (#   1447:25  Unique         3.01, 3.04 A)
 &rst
  ixpk= 1447, nxpk= 25, iat=1695,1697, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:1448    43 ILE  HB          4.50    (#   1448:25  Single Ambig)
 &rst
  ixpk= 1448, nxpk= 25, iat=  -1, 679, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 677, 658, 659,
 &end
#
#    0 AMB  25-2:1449     0 AMB  25-1:1449   4.50    (#   1449:25  Double Ambig)
 &rst
  ixpk= 1449, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 753, 754,1657,1658,
 igr2= 679,1697,
 &end
#
#  112 ILE  HG1-        112 ILE  HB          2.80    (#   1450:25  Unique         2.32, 2.44 A)
 &rst
  ixpk= 1450, nxpk= 25, iat=  -1,1697, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1703,1704,
 &end
#
#  112 ILE  HG1+        112 ILE  HB          3.50    (#   1451:25  Unique         2.32, 2.44 A)
 &rst
  ixpk= 1451, nxpk= 25, iat=  -1,1697, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1703,1704,
 &end
#
#   43 ILE  HG1-         43 ILE  HB          3.50    (#   1452:25  Unique         2.44, 2.77 A)
 &rst
  ixpk= 1452, nxpk= 25, iat=  -1, 679, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 685, 686,
 &end
#
#    0 AMB  25-2:1454     0 AMB  25-1:1454   2.80    (#   1454:25  Double Ambig)
 &rst
  ixpk= 1454, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 681, 682, 683, 516, 517, 518, 520, 521, 522,
 igr2= 685, 686, 685, 686,
 &end
#
#    0 AMB  25-2:1455     0 AMB  25-1:1455   2.80    (#   1455:25  Double Ambig)
 &rst
  ixpk= 1455, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1= 608, 609, 610, 688, 689, 690,
 igr2= 685, 686, 685, 686,
 &end
#
#    0 AMB  25-2:1456     0 AMB  25-1:1456   3.50    (#   1456:25  Double Ambig)
 &rst
  ixpk= 1456, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 677, 658, 659,
 igr2= 685, 686, 685, 686,
 &end
#
#   43 ILE  HN           43 ILE  HG1+        3.50    (#   1457:25  Unique         1.82, 2.62 A)
 &rst
  ixpk= 1457, nxpk= 25, iat= 675,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 685, 686,
 &end
#
#    0 AMB  25-2:1458    43 ILE  HG1-        5.50    (#   1458:25  Single Ambig)
 &rst
  ixpk= 1458, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 444, 740,
 igr2= 685, 686,
 &end
#
#   43 ILE  HN           43 ILE  HG1-        4.50    (#   1459:25  Unique         1.82, 2.62 A)
 &rst
  ixpk= 1459, nxpk= 25, iat= 675,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 685, 686,
 &end
#
#   40 GLU  HA           43 ILE  HG1-        5.50    (#   1460:25  Unique         2.76, 3.87 A)
 &rst
  ixpk= 1460, nxpk= 25, iat= 627,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 685, 686,
 &end
#
#    0 AMB  25-2:1461    43 ILE  HG1-        4.50    (#   1461:25  Single Ambig)
 &rst
  ixpk= 1461, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 677, 658, 659,
 igr2= 685, 686,
 &end
#
#   29 MET  HG+          43 ILE  HG1-        4.50    (#   1462:25  Unique         2.17, 4.08 A)
 &rst
  ixpk= 1462, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 451, 452,
 igr2= 685, 686,
 &end
#
#    0 AMB  25-2:1464    43 ILE  HG1-        2.80    (#   1464:25  Single Ambig)
 &rst
  ixpk= 1464, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 608, 609, 610, 688, 689, 690,
 igr2= 685, 686,
 &end
#
#    0 AMB  25-2:1465    43 ILE  HG1-        4.50    (#   1465:25  Single Ambig)
 &rst
  ixpk= 1465, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 681, 682, 683, 516, 517, 518, 520, 521, 522,
 igr2= 685, 686,
 &end
#
#   33 LEU  HB+          43 ILE  QD1         3.50    (#   1468:25  Unique         2.10, 3.62 A)
 &rst
  ixpk= 1468, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 511, 512,
 igr2= 688, 689, 690,
 &end
#
#    0 AMB  25-2:1469    43 ILE  QD1         2.80    (#   1469:25  Single Ambig)
 &rst
  ixpk= 1469, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 685, 686, 679,
 igr2= 688, 689, 690,
 &end
#
#    0 AMB  25-2:1470    43 ILE  QD1         4.50    (#   1470:25  Single Ambig)
 &rst
  ixpk= 1470, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 632, 633, 629, 630,
 igr2= 688, 689, 690,
 &end
#
#    0 AMB  25-2:1471    43 ILE  QD1         4.50    (#   1471:25  Single Ambig)
 &rst
  ixpk= 1471, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 677, 658, 659,
 igr2= 688, 689, 690,
 &end
#
#   30 VAL  HA           43 ILE  QD1         4.50    (#   1472:25  Unique         3.83, 4.48 A)
 &rst
  ixpk= 1472, nxpk= 25, iat= 463,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 688, 689, 690,
 &end
#
#   40 GLU  HA           43 ILE  QD1         3.50    (#   1473:25  Unique         2.46, 3.51 A)
 &rst
  ixpk= 1473, nxpk= 25, iat= 627,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 688, 689, 690,
 &end
#
#   26 ASP  HA           43 ILE  QD1         4.50    (#   1474:25  Unique         2.94, 4.24 A)
 &rst
  ixpk= 1474, nxpk= 25, iat= 403,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 688, 689, 690,
 &end
#
#   43 ILE  HN           43 ILE  QD1         4.50    (#   1475:25  Unique         2.45, 4.14 A)
 &rst
  ixpk= 1475, nxpk= 25, iat= 675,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 688, 689, 690,
 &end
#
#    0 AMB  25-2:1476    43 ILE  QD1         5.50    (#   1476:25  Single Ambig)
 &rst
  ixpk= 1476, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 654, 444,
 igr2= 688, 689, 690,
 &end
#
#    0 AMB  25-2:1477    43 ILE  QG2         4.50    (#   1477:25  Single Ambig)
 &rst
  ixpk= 1477, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 401, 382,
 igr2= 681, 682, 683,
 &end
#
#   47 LYS  HN           43 ILE  QG2         4.50    (#   1478:25  Unique         4.23, 5.34 A)
 &rst
  ixpk= 1478, nxpk= 25, iat= 740,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 681, 682, 683,
 &end
#
#   46 ILE  HN           43 ILE  QG2         5.50    (#   1479:25  Unique         4.92, 5.83 A)
 &rst
  ixpk= 1479, nxpk= 25, iat= 721,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 681, 682, 683,
 &end
#
#   44 GLN  HN           43 ILE  QG2         4.50    (#   1480:25  Unique         3.02, 4.44 A)
 &rst
  ixpk= 1480, nxpk= 25, iat= 694,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 681, 682, 683,
 &end
#
#   43 ILE  HN           43 ILE  QG2         4.50    (#   1481:25  Unique         4.06, 4.48 A)
 &rst
  ixpk= 1481, nxpk= 25, iat= 675,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 681, 682, 683,
 &end
#
#   26 ASP  HA           43 ILE  QG2         4.50    (#   1483:25  Unique         2.44, 3.26 A)
 &rst
  ixpk= 1483, nxpk= 25, iat= 403,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 681, 682, 683,
 &end
#
#   43 ILE  HA           43 ILE  QG2         3.50    (#   1484:25  Unique         2.61, 3.20 A)
 &rst
  ixpk= 1484, nxpk= 25, iat= 677,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 681, 682, 683,
 &end
#
#   22 GLN  HA           43 ILE  QG2         5.50    (#   1485:25  Unique         5.67, 6.57 A)
 &rst
  ixpk= 1485, nxpk= 25, iat= 342,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 681, 682, 683,
 &end
#
#   29 MET  HG+          43 ILE  QG2         4.50    (#   1486:25  Unique         2.14, 4.17 A)
 &rst
  ixpk= 1486, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 451, 452,
 igr2= 681, 682, 683,
 &end
#
#   47 LYS  HE-          43 ILE  QG2         4.50    (#   1487:25  Unique         1.90, 3.53 A)
 &rst
  ixpk= 1487, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 753, 754,
 igr2= 681, 682, 683,
 &end
#
#   47 LYS  HE+          43 ILE  QG2         3.50    (#   1488:25  Unique         1.90, 3.53 A)
 &rst
  ixpk= 1488, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 753, 754,
 igr2= 681, 682, 683,
 &end
#
#   25 ILE  HB           43 ILE  QG2         4.50    (#   1489:25  Unique         3.38, 4.10 A)
 &rst
  ixpk= 1489, nxpk= 25, iat= 386,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 681, 682, 683,
 &end
#
#   43 ILE  HB           43 ILE  QG2         2.80    (#   1490:25  Unique         2.34, 2.65 A)
 &rst
  ixpk= 1490, nxpk= 25, iat= 679,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 681, 682, 683,
 &end
#
#   47 LYS  HD+          43 ILE  QG2         4.50    (#   1491:25  Unique         2.57, 4.81 A)
 &rst
  ixpk= 1491, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 750, 751,
 igr2= 681, 682, 683,
 &end
#
#   47 LYS  HD+          44 GLN  HA          3.50    (#   1492:25  Unique         2.11, 2.96 A)
 &rst
  ixpk= 1492, nxpk= 25, iat=  -1, 696, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 750, 751,
 &end
#
#    0 AMB  25-2:1493    44 GLN  HA          3.50    (#   1493:25  Single Ambig)
 &rst
  ixpk= 1493, nxpk= 25, iat=  -1, 696, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 750, 751, 747, 748,
 &end
#
#   47 LYS  HB+          44 GLN  HA          2.80    (#   1494:25  Unique         2.08, 3.18 A)
 &rst
  ixpk= 1494, nxpk= 25, iat=  -1, 696, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 744, 745,
 &end
#
#   44 GLN  HG+          44 GLN  HA          2.80    (#   1495:25  Unique         2.35, 3.18 A)
 &rst
  ixpk= 1495, nxpk= 25, iat=  -1, 696, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 701, 702,
 &end
#
#   44 GLN  HE2-         44 GLN  HA          4.50    (#   1499:25  Unique         2.90, 3.39 A)
 &rst
  ixpk= 1499, nxpk= 25, iat=  -1, 696, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 706, 707,
 &end
#
#   44 GLN  HN           44 GLN  HA          3.50    (#   1500:25  Unique         2.84, 2.85 A)
 &rst
  ixpk= 1500, nxpk= 25, iat= 694, 696, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   46 ILE  HN           44 GLN  HA          4.50    (#   1501:25  Unique         3.77, 4.02 A)
 &rst
  ixpk= 1501, nxpk= 25, iat= 721, 696, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   47 LYS  HN           44 GLN  HA          3.50    (#   1502:25  Unique         2.87, 2.99 A)
 &rst
  ixpk= 1502, nxpk= 25, iat= 740, 696, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   44 GLN  HE2+         44 GLN  HA          4.50    (#   1503:25  Unique         2.90, 3.39 A)
 &rst
  ixpk= 1503, nxpk= 25, iat=  -1, 696, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 706, 707,
 &end
#
#   45 ALA  HN           44 GLN  HA          3.50    (#   1504:25  Unique         3.52, 3.54 A)
 &rst
  ixpk= 1504, nxpk= 25, iat= 711, 696, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   48 ASP  HN           44 GLN  HA          4.50    (#   1505:25  Unique         3.58, 3.77 A)
 &rst
  ixpk= 1505, nxpk= 25, iat= 762, 696, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   44 GLN  HN           44 GLN  HB-         3.50    (#   1506:25  Unique         2.15, 2.64 A)
 &rst
  ixpk= 1506, nxpk= 25, iat= 694,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 698, 699,
 &end
#
#   44 GLN  HN           44 GLN  HB+         2.80    (#   1507:25  Unique         2.15, 2.64 A)
 &rst
  ixpk= 1507, nxpk= 25, iat= 694,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 698, 699,
 &end
#
#   55 PRO  HB+          55 PRO  HG+         2.80    (#   1508:25  Unique         2.26, 2.63 A)
 &rst
  ixpk= 1508, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 860, 861,
 igr2= 857, 858,
 &end
#
#   58 ILE  QD1          55 PRO  HG+         4.50    (#   1509:25  Unique         2.82, 5.20 A)
 &rst
  ixpk= 1509, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 922, 923, 924,
 igr2= 857, 858,
 &end
#
#   44 GLN  HB+          44 GLN  HG-         2.80    (#   1510:25  Unique         2.39, 2.62 A)
 &rst
  ixpk= 1510, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 698, 699,
 igr2= 701, 702,
 &end
#
#   44 GLN  HB-          44 GLN  HG-         2.80    (#   1511:25  Unique         2.39, 2.62 A)
 &rst
  ixpk= 1511, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 698, 699,
 igr2= 701, 702,
 &end
#
#   44 GLN  HB+          44 GLN  HG+         2.80    (#   1512:25  Unique         2.39, 2.62 A)
 &rst
  ixpk= 1512, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 698, 699,
 igr2= 701, 702,
 &end
#
#   44 GLN  HB-          44 GLN  HG+         2.80    (#   1513:25  Unique         2.39, 2.62 A)
 &rst
  ixpk= 1513, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 698, 699,
 igr2= 701, 702,
 &end
#
#   44 GLN  HA           44 GLN  HG-         3.50    (#   1514:25  Unique         2.35, 3.18 A)
 &rst
  ixpk= 1514, nxpk= 25, iat= 696,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 701, 702,
 &end
#
#   44 GLN  HA           44 GLN  HG+         3.50    (#   1515:25  Unique         2.35, 3.18 A)
 &rst
  ixpk= 1515, nxpk= 25, iat= 696,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 701, 702,
 &end
#
#    0 AMB  25-2:1516    44 GLN  HG-         5.50    (#   1516:25  Single Ambig)
 &rst
  ixpk= 1516, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 642, 764,
 igr2= 701, 702,
 &end
#
#   44 GLN  HE2-         44 GLN  HG-         3.50    (#   1517:25  Unique         2.27, 3.31 A)
 &rst
  ixpk= 1517, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 706, 707,
 igr2= 701, 702,
 &end
#
#   44 GLN  HE2-         44 GLN  HG+         3.50    (#   1518:25  Unique         2.27, 3.31 A)
 &rst
  ixpk= 1518, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 706, 707,
 igr2= 701, 702,
 &end
#
#   44 GLN  HN           44 GLN  HG-         4.50    (#   1519:25  Unique         3.06, 4.45 A)
 &rst
  ixpk= 1519, nxpk= 25, iat= 694,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 701, 702,
 &end
#
#   44 GLN  HE2+         44 GLN  HG-         2.80    (#   1521:25  Unique         2.27, 3.31 A)
 &rst
  ixpk= 1521, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 706, 707,
 igr2= 701, 702,
 &end
#
#   44 GLN  HE2+         44 GLN  HG+         2.80    (#   1522:25  Unique         2.27, 3.31 A)
 &rst
  ixpk= 1522, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 706, 707,
 igr2= 701, 702,
 &end
#
#   45 ALA  HN           44 GLN  HG-         5.50    (#   1523:25  Unique         4.53, 5.07 A)
 &rst
  ixpk= 1523, nxpk= 25, iat= 711,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 701, 702,
 &end
#
#   45 ALA  HN           44 GLN  HG+         4.50    (#   1524:25  Unique         4.53, 5.07 A)
 &rst
  ixpk= 1524, nxpk= 25, iat= 711,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 701, 702,
 &end
#
#   48 ASP  HN           45 ALA  HA          4.50    (#   1525:25  Unique         3.39, 3.48 A)
 &rst
  ixpk= 1525, nxpk= 25, iat= 762, 713, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   75 LEU  HN           75 LEU  HA          3.50    (#   1526:25  Unique         2.99, 2.99 A)
 &rst
  ixpk= 1526, nxpk= 25, iat=1143,1145, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   45 ALA  HN           45 ALA  HA          2.80    (#   1527:25  Unique         2.81, 2.83 A)
 &rst
  ixpk= 1527, nxpk= 25, iat= 711, 713, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   46 ILE  HN           45 ALA  HA          4.50    (#   1528:25  Unique         3.54, 3.59 A)
 &rst
  ixpk= 1528, nxpk= 25, iat= 721, 713, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   44 GLN  HN           45 ALA  HA          5.50    (#   1529:25  Unique         5.32, 5.35 A)
 &rst
  ixpk= 1529, nxpk= 25, iat= 694, 713, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   48 ASP  HB-          45 ALA  HA          3.50    (#   1530:25  Unique         2.45, 3.11 A)
 &rst
  ixpk= 1530, nxpk= 25, iat=  -1, 713, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 766, 767,
 &end
#
#   45 ALA  MB           45 ALA  HA          2.80    (#   1531:25  Unique         2.39, 2.67 A)
 &rst
  ixpk= 1531, nxpk= 25, iat=  -1, 713, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 715, 716, 717,
 &end
#
#   75 LEU  MDY          75 LEU  HA          2.80    (#   1532:25  Unique         2.27, 3.91 A)
 &rst
  ixpk= 1532, nxpk= 25, iat=  -1,1145, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1152,1153,1154,1156,1157,1158,
 &end
#
#   45 ALA  HN           45 ALA  MB          2.80    (#   1533:25  Unique         2.44, 2.95 A)
 &rst
  ixpk= 1533, nxpk= 25, iat= 711,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 715, 716, 717,
 &end
#
#   46 ILE  HN           45 ALA  MB          3.50    (#   1534:25  Unique         2.52, 3.55 A)
 &rst
  ixpk= 1534, nxpk= 25, iat= 721,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 715, 716, 717,
 &end
#
#   44 GLN  HN           45 ALA  MB          4.50    (#   1535:25  Unique         5.01, 5.54 A)
 &rst
  ixpk= 1535, nxpk= 25, iat= 694,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 715, 716, 717,
 &end
#
#   45 ALA  HA           45 ALA  MB          2.80    (#   1537:25  Unique         2.39, 2.67 A)
 &rst
  ixpk= 1537, nxpk= 25, iat= 713,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 715, 716, 717,
 &end
#
#   42 TYR  HA           45 ALA  MB          3.50    (#   1538:25  Unique         2.72, 3.54 A)
 &rst
  ixpk= 1538, nxpk= 25, iat= 656,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 715, 716, 717,
 &end
#
#    0 AMB  25-2:1539    45 ALA  MB          5.50    (#   1539:25  Single Ambig)
 &rst
  ixpk= 1539, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 677, 658, 659,
 igr2= 715, 716, 717,
 &end
#
#   72 CYS  HB+          45 ALA  MB          2.80    (#   1540:25  Unique         2.34, 3.37 A)
 &rst
  ixpk= 1540, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1119,1120,
 igr2= 715, 716, 717,
 &end
#
#   48 ASP  HB-          45 ALA  MB          4.50    (#   1541:25  Unique         4.36, 5.56 A)
 &rst
  ixpk= 1541, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 766, 767,
 igr2= 715, 716, 717,
 &end
#
#   68 ALA  MB           45 ALA  MB          2.80    (#   1542:25  Unique         2.84, 3.99 A)
 &rst
  ixpk= 1542, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1=1056,1057,1058,
 igr2= 715, 716, 717,
 &end
#
#   46 ILE  QD1          45 ALA  MB          4.50    (#   1543:25  Unique         4.59, 6.68 A)
 &rst
  ixpk= 1543, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 734, 735, 736,
 igr2= 715, 716, 717,
 &end
#
#   46 ILE  HG1+         46 ILE  HA          3.50    (#   1544:25  Unique         2.49, 2.83 A)
 &rst
  ixpk= 1544, nxpk= 25, iat=  -1, 723, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 731, 732,
 &end
#
#   46 ILE  QD1          46 ILE  HA          4.50    (#   1545:25  Unique         4.30, 4.70 A)
 &rst
  ixpk= 1545, nxpk= 25, iat=  -1, 723, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 734, 735, 736,
 &end
#
#   46 ILE  QG2          46 ILE  HA          3.50    (#   1546:25  Unique         2.42, 3.14 A)
 &rst
  ixpk= 1546, nxpk= 25, iat=  -1, 723, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 727, 728, 729,
 &end
#
#   68 ALA  MB           46 ILE  HA          4.50    (#   1547:25  Unique         3.38, 4.74 A)
 &rst
  ixpk= 1547, nxpk= 25, iat=  -1, 723, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1056,1057,1058,
 &end
#
#   46 ILE  HG1-         46 ILE  HA          3.50    (#   1548:25  Unique         2.49, 2.83 A)
 &rst
  ixpk= 1548, nxpk= 25, iat=  -1, 723, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 731, 732,
 &end
#
#   46 ILE  HB           46 ILE  HA          3.50    (#   1549:25  Unique         3.02, 3.04 A)
 &rst
  ixpk= 1549, nxpk= 25, iat= 725, 723, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   49 SER  HB-          46 ILE  HA          4.50    (#   1550:25  Unique         2.68, 4.09 A)
 &rst
  ixpk= 1550, nxpk= 25, iat=  -1, 723, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 778, 779,
 &end
#
#   46 ILE  HN           46 ILE  HA          3.50    (#   1552:25  Unique         2.84, 2.88 A)
 &rst
  ixpk= 1552, nxpk= 25, iat= 721, 723, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   46 ILE  HN           46 ILE  HB          2.80    (#   1553:25  Unique         2.13, 2.47 A)
 &rst
  ixpk= 1553, nxpk= 25, iat= 721, 725, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   43 ILE  HA           46 ILE  HB          4.50    (#   1554:25  Unique         2.73, 3.23 A)
 &rst
  ixpk= 1554, nxpk= 25, iat= 677, 725, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   46 ILE  QG2          46 ILE  HB          2.80    (#   1555:25  Unique         2.25, 2.66 A)
 &rst
  ixpk= 1555, nxpk= 25, iat=  -1, 725, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 727, 728, 729,
 &end
#
#   46 ILE  QD1          46 ILE  HB          3.50    (#   1556:25  Unique         2.45, 3.18 A)
 &rst
  ixpk= 1556, nxpk= 25, iat=  -1, 725, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 734, 735, 736,
 &end
#
#   46 ILE  HG1+         46 ILE  HB          4.50    (#   1557:25  Unique         2.40, 2.77 A)
 &rst
  ixpk= 1557, nxpk= 25, iat=  -1, 725, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 731, 732,
 &end
#
#   46 ILE  HA           46 ILE  HG1-        3.50    (#   1559:25  Unique         2.49, 2.83 A)
 &rst
  ixpk= 1559, nxpk= 25, iat= 723,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 731, 732,
 &end
#
#   46 ILE  HN           46 ILE  HG1-        3.50    (#   1560:25  Unique         2.01, 2.78 A)
 &rst
  ixpk= 1560, nxpk= 25, iat= 721,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 731, 732,
 &end
#
#   68 ALA  HN           46 ILE  QD1         5.50    (#   1562:25  Unique         2.29, 4.16 A)
 &rst
  ixpk= 1562, nxpk= 25, iat=1052,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 734, 735, 736,
 &end
#
#    0 AMB  25-2:1563    46 ILE  QD1         4.50    (#   1563:25  Single Ambig)
 &rst
  ixpk= 1563, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 740, 654,
 igr2= 734, 735, 736,
 &end
#
#   46 ILE  HN           46 ILE  QD1         4.50    (#   1564:25  Unique         3.67, 4.37 A)
 &rst
  ixpk= 1564, nxpk= 25, iat= 721,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 734, 735, 736,
 &end
#
#   43 ILE  HN           46 ILE  QD1         5.50    (#   1565:25  Unique         4.45, 5.87 A)
 &rst
  ixpk= 1565, nxpk= 25, iat= 675,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 734, 735, 736,
 &end
#
#   67 HIS  HD2          46 ILE  QD1         5.50    (#   1567:25  Unique         5.44, 6.75 A)
 &rst
  ixpk= 1567, nxpk= 25, iat=1048,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 734, 735, 736,
 &end
#
#   67 HIS  HN           46 ILE  QD1         4.50    (#   1569:25  Unique         2.57, 3.86 A)
 &rst
  ixpk= 1569, nxpk= 25, iat=1035,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 734, 735, 736,
 &end
#
#   68 ALA  HA           46 ILE  QD1         5.50    (#   1571:25  Unique         4.23, 5.45 A)
 &rst
  ixpk= 1571, nxpk= 25, iat=1054,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 734, 735, 736,
 &end
#
#    0 AMB  25-2:1572    46 ILE  QD1         4.50    (#   1572:25  Single Ambig)
 &rst
  ixpk= 1572, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 723, 437, 438,
 igr2= 734, 735, 736,
 &end
#
#   43 ILE  HA           46 ILE  QD1         3.50    (#   1573:25  Unique         2.28, 3.62 A)
 &rst
  ixpk= 1573, nxpk= 25, iat= 677,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 734, 735, 736,
 &end
#
#   29 MET  HG+          46 ILE  QD1         4.50    (#   1574:25  Unique         2.17, 3.85 A)
 &rst
  ixpk= 1574, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 451, 452,
 igr2= 734, 735, 736,
 &end
#
#   29 MET  HG-          46 ILE  QD1         4.50    (#   1575:25  Unique         2.17, 3.85 A)
 &rst
  ixpk= 1575, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 451, 452,
 igr2= 734, 735, 736,
 &end
#
#    0 AMB  25-2:1576    46 ILE  QD1         2.80    (#   1576:25  Single Ambig)
 &rst
  ixpk= 1576, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.65, r4= 5.40,
 igr1= 455, 456, 457, 685, 686,1025,1026,
 igr2= 734, 735, 736,
 &end
#
#   46 ILE  HB           46 ILE  QD1         3.50    (#   1577:25  Unique         2.45, 3.18 A)
 &rst
  ixpk= 1577, nxpk= 25, iat= 725,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 734, 735, 736,
 &end
#
#    0 AMB  25-2:1578    46 ILE  QD1         2.80    (#   1578:25  Single Ambig)
 &rst
  ixpk= 1578, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1028,1029, 731, 732,
 igr2= 734, 735, 736,
 &end
#
#   66 PRO  HB-          46 ILE  QD1         3.50    (#   1579:25  Unique         2.25, 4.08 A)
 &rst
  ixpk= 1579, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1028,1029,
 igr2= 734, 735, 736,
 &end
#
#   46 ILE  HG1+         46 ILE  QD1         3.50    (#   1582:25  Unique         2.35, 2.65 A)
 &rst
  ixpk= 1582, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 731, 732,
 igr2= 734, 735, 736,
 &end
#
#   46 ILE  HA           46 ILE  QG2         2.80    (#   1584:25  Unique         2.42, 3.14 A)
 &rst
  ixpk= 1584, nxpk= 25, iat= 723,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 727, 728, 729,
 &end
#
#   46 ILE  HN           46 ILE  QG2         5.50    (#   1587:25  Unique         4.04, 4.51 A)
 &rst
  ixpk= 1587, nxpk= 25, iat= 721,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 727, 728, 729,
 &end
#
#    0 AMB  25-2:1590    47 LYS  HA          3.50    (#   1590:25  Single Ambig)
 &rst
  ixpk= 1590, nxpk= 25, iat=  -1, 742, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 785, 799,
 &end
#
#   47 LYS  HN           47 LYS  HA          4.50    (#   1592:25  Unique         2.80, 2.83 A)
 &rst
  ixpk= 1592, nxpk= 25, iat= 740, 742, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   46 ILE  HN           47 LYS  HA          5.50    (#   1593:25  Unique         5.05, 5.18 A)
 &rst
  ixpk= 1593, nxpk= 25, iat= 721, 742, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  25-2:1606    47 LYS  HA          3.50    (#   1606:25  Single Ambig)
 &rst
  ixpk= 1606, nxpk= 25, iat=  -1, 742, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 744, 745, 744, 745,
 &end
#
#   47 LYS  HG+          47 LYS  HA          3.50    (#   1607:25  Unique         2.58, 2.84 A)
 &rst
  ixpk= 1607, nxpk= 25, iat=  -1, 742, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 747, 748,
 &end
#
#    0 AMB  25-2:1608    47 LYS  HA          2.80    (#   1608:25  Single Ambig)
 &rst
  ixpk= 1608, nxpk= 25, iat=  -1, 742, r1= 0.00, r2= 1.80, r3= 3.66, r4= 4.41,
 igr1= 395, 396, 397, 747, 748,
 &end
#
#   46 ILE  QG2          47 LYS  HA          3.50    (#   1609:25  Unique         3.66, 4.74 A)
 &rst
  ixpk= 1609, nxpk= 25, iat=  -1, 742, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 727, 728, 729,
 &end
#
#    0 AMB  25-2:1610    47 LYS  HA          4.50    (#   1610:25  Single Ambig)
 &rst
  ixpk= 1610, nxpk= 25, iat=  -1, 742, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1= 791, 792, 793, 347, 348,
 &end
#
#   47 LYS  HG-          47 LYS  HB+         4.50    (#   1611:25  Unique         2.34, 2.75 A)
 &rst
  ixpk= 1611, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 747, 748,
 igr2= 744, 745,
 &end
#
#   47 LYS  HG-          47 LYS  HB-         4.50    (#   1612:25  Unique         2.34, 2.75 A)
 &rst
  ixpk= 1612, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 747, 748,
 igr2= 744, 745,
 &end
#
#   47 LYS  HD+          47 LYS  HB+         3.50    (#   1613:25  Unique         2.39, 2.80 A)
 &rst
  ixpk= 1613, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 750, 751,
 igr2= 744, 745,
 &end
#
#   47 LYS  HA           47 LYS  HB+         3.50    (#   1615:25  Unique         2.49, 2.79 A)
 &rst
  ixpk= 1615, nxpk= 25, iat= 742,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 744, 745,
 &end
#
#   47 LYS  HA           47 LYS  HB-         4.50    (#   1616:25  Unique         2.49, 2.79 A)
 &rst
  ixpk= 1616, nxpk= 25, iat= 742,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 744, 745,
 &end
#
#   44 GLN  HE2-          0 AMB  25-1:1618   5.50    (#   1618:25  Single Ambig)
 &rst
  ixpk= 1618, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 706, 707,
 igr2= 744, 745, 744, 745,
 &end
#
#   47 LYS  HN           47 LYS  HB-         3.50    (#   1620:25  Unique         2.36, 3.03 A)
 &rst
  ixpk= 1620, nxpk= 25, iat= 740,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 744, 745,
 &end
#
#   48 ASP  HN           47 LYS  HB+         4.50    (#   1621:25  Unique         2.47, 3.18 A)
 &rst
  ixpk= 1621, nxpk= 25, iat= 762,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 744, 745,
 &end
#
#   48 ASP  HN           47 LYS  HB-         4.50    (#   1622:25  Unique         2.47, 3.18 A)
 &rst
  ixpk= 1622, nxpk= 25, iat= 762,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 744, 745,
 &end
#
#   47 LYS  HG-          47 LYS  HD-         3.50    (#   1623:25  Unique         2.38, 2.74 A)
 &rst
  ixpk= 1623, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 747, 748,
 igr2= 750, 751,
 &end
#
#    0 AMB  25-2:1627    47 LYS  HD-         4.50    (#   1627:25  Single Ambig)
 &rst
  ixpk= 1627, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 753, 754, 701, 702,
 igr2= 750, 751,
 &end
#
#    0 AMB  25-2:1628     0 AMB  25-1:1628   4.50    (#   1628:25  Double Ambig)
 &rst
  ixpk= 1628, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 753, 754, 701, 702,
 igr2= 750, 751, 750, 751,
 &end
#
#   47 LYS  HE-          47 LYS  HD-         4.50    (#   1629:25  Unique         2.38, 2.75 A)
 &rst
  ixpk= 1629, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 753, 754,
 igr2= 750, 751,
 &end
#
#   47 LYS  HE-          47 LYS  HD+         5.50    (#   1630:25  Unique         2.38, 2.75 A)
 &rst
  ixpk= 1630, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 753, 754,
 igr2= 750, 751,
 &end
#
#   47 LYS  HN           47 LYS  HD-         3.50    (#   1633:25  Unique         3.66, 4.16 A)
 &rst
  ixpk= 1633, nxpk= 25, iat= 740,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 750, 751,
 &end
#
#   47 LYS  HN           47 LYS  HD+         5.50    (#   1634:25  Unique         3.66, 4.16 A)
 &rst
  ixpk= 1634, nxpk= 25, iat= 740,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 750, 751,
 &end
#
#    0 AMB  25-2:1638    47 LYS  HE-         2.80    (#   1638:25  Single Ambig)
 &rst
  ixpk= 1638, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 750, 751, 747, 748,
 igr2= 753, 754,
 &end
#
#    0 AMB  25-2:1639    47 LYS  HE-         3.50    (#   1639:25  Single Ambig)
 &rst
  ixpk= 1639, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 750, 751, 344, 345,
 igr2= 753, 754,
 &end
#
#    0 AMB  25-2:1640     0 AMB  25-1:1640   3.50    (#   1640:25  Double Ambig)
 &rst
  ixpk= 1640, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 750, 751, 344, 345,
 igr2= 753, 754, 753, 754,
 &end
#
#    0 AMB  25-2:1641     0 AMB  25-1:1641   3.50    (#   1641:25  Double Ambig)
 &rst
  ixpk= 1641, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 750, 751, 747, 748,
 igr2= 753, 754, 753, 754,
 &end
#
#   47 LYS  HG-          47 LYS  HE-         4.50    (#   1642:25  Unique         2.42, 2.83 A)
 &rst
  ixpk= 1642, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 747, 748,
 igr2= 753, 754,
 &end
#
#   47 LYS  HG-          47 LYS  HE+         3.50    (#   1643:25  Unique         2.42, 2.83 A)
 &rst
  ixpk= 1643, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 747, 748,
 igr2= 753, 754,
 &end
#
#   43 ILE  QG2          47 LYS  HE-         3.50    (#   1644:25  Unique         1.90, 3.53 A)
 &rst
  ixpk= 1644, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 681, 682, 683,
 igr2= 753, 754,
 &end
#
#   43 ILE  QG2          47 LYS  HE+         3.50    (#   1645:25  Unique         1.90, 3.53 A)
 &rst
  ixpk= 1645, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 681, 682, 683,
 igr2= 753, 754,
 &end
#
#   51 ILE  QD1          48 ASP  HA          3.50    (#   1646:25  Unique         2.21, 3.48 A)
 &rst
  ixpk= 1646, nxpk= 25, iat=  -1, 764, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 812, 813, 814,
 &end
#
#   51 ILE  HB           48 ASP  HA          3.50    (#   1647:25  Unique         2.29, 2.55 A)
 &rst
  ixpk= 1647, nxpk= 25, iat= 803, 764, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   48 ASP  HB+          48 ASP  HA          2.80    (#   1648:25  Unique         2.42, 2.73 A)
 &rst
  ixpk= 1648, nxpk= 25, iat=  -1, 764, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 766, 767,
 &end
#
#    0 AMB  25-2:1651    48 ASP  HA          3.50    (#   1651:25  Single Ambig)
 &rst
  ixpk= 1651, nxpk= 25, iat=  -1, 764, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 799, 785,
 &end
#
#   49 SER  HN           48 ASP  HA          4.50    (#   1652:25  Unique         3.58, 3.62 A)
 &rst
  ixpk= 1652, nxpk= 25, iat= 774, 764, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   48 ASP  HN           48 ASP  HA          3.50    (#   1653:25  Unique         2.78, 2.81 A)
 &rst
  ixpk= 1653, nxpk= 25, iat= 762, 764, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   48 ASP  HN           48 ASP  HB-         2.80    (#   1654:25  Unique         2.42, 2.50 A)
 &rst
  ixpk= 1654, nxpk= 25, iat= 762,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 766, 767,
 &end
#
#   48 ASP  HN           48 ASP  HB+         3.50    (#   1655:25  Unique         2.42, 2.50 A)
 &rst
  ixpk= 1655, nxpk= 25, iat= 762,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 766, 767,
 &end
#
#   49 SER  HN           48 ASP  HB-         2.80    (#   1656:25  Unique         2.36, 3.34 A)
 &rst
  ixpk= 1656, nxpk= 25, iat= 774,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 766, 767,
 &end
#
#   52 ASN  HD2-         48 ASP  HB-         5.50    (#   1657:25  Unique         4.40, 4.97 A)
 &rst
  ixpk= 1657, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 827, 828,
 igr2= 766, 767,
 &end
#
#   52 ASN  HD2-         48 ASP  HB+         5.50    (#   1658:25  Unique         4.40, 4.97 A)
 &rst
  ixpk= 1658, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 827, 828,
 igr2= 766, 767,
 &end
#
#   48 ASP  HA           48 ASP  HB-         2.80    (#   1659:25  Unique         2.42, 2.73 A)
 &rst
  ixpk= 1659, nxpk= 25, iat= 764,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 766, 767,
 &end
#
#   48 ASP  HA           48 ASP  HB+         2.80    (#   1660:25  Unique         2.42, 2.73 A)
 &rst
  ixpk= 1660, nxpk= 25, iat= 764,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 766, 767,
 &end
#
#   77 THR  MG2         110 SER  HA          4.50    (#   1661:25  Unique         3.48, 4.56 A)
 &rst
  ixpk= 1661, nxpk= 25, iat=  -1,1667, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1190,1191,1192,
 &end
#
#   52 ASN  HB+          49 SER  HA          3.50    (#   1662:25  Unique         2.07, 3.09 A)
 &rst
  ixpk= 1662, nxpk= 25, iat=  -1, 776, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 822, 823,
 &end
#
#    0 AMB  25-2:1666    49 SER  HA          5.50    (#   1666:25  Single Ambig)
 &rst
  ixpk= 1666, nxpk= 25, iat=  -1, 776, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 827, 828, 841, 842,
 &end
#
#   53 ASN  HD2+         49 SER  HA          5.50    (#   1667:25  Unique         3.59, 6.19 A)
 &rst
  ixpk= 1667, nxpk= 25, iat=  -1, 776, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 841, 842,
 &end
#
#   52 ASN  HD2+         49 SER  HA          5.50    (#   1668:25  Unique         2.81, 3.80 A)
 &rst
  ixpk= 1668, nxpk= 25, iat=  -1, 776, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 827, 828,
 &end
#
#  112 ILE  HN          110 SER  HA          5.50    (#   1669:25  Unique         4.44, 4.52 A)
 &rst
  ixpk= 1669, nxpk= 25, iat=1693,1667, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  114 ALA  HN          110 SER  HA          5.50    (#   1670:25  Unique         3.84, 4.03 A)
 &rst
  ixpk= 1670, nxpk= 25, iat=1719,1667, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  25-2:1671     0 AMB  25-1:1671   3.50    (#   1671:25  Double Ambig)
 &rst
  ixpk= 1671, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 818,1712,1676,
 igr2= 776,1667,
 &end
#
#    0 AMB  25-2:1672    49 SER  HA          4.50    (#   1672:25  Single Ambig)
 &rst
  ixpk= 1672, nxpk= 25, iat=  -1, 776, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 785, 799,
 &end
#
#   53 ASN  HN           49 SER  HA          4.50    (#   1673:25  Unique         3.21, 4.15 A)
 &rst
  ixpk= 1673, nxpk= 25, iat= 832, 776, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   49 SER  HN           49 SER  HA          3.50    (#   1674:25  Unique         2.85, 2.87 A)
 &rst
  ixpk= 1674, nxpk= 25, iat= 774, 776, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  110 SER  HN          110 SER  HA          4.50    (#   1675:25  Unique         2.87, 2.88 A)
 &rst
  ixpk= 1675, nxpk= 25, iat=1665,1667, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   49 SER  HN           49 SER  HB+         2.80    (#   1676:25  Unique         2.44, 3.07 A)
 &rst
  ixpk= 1676, nxpk= 25, iat= 774,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 778, 779,
 &end
#
#   50 THR  HN           49 SER  HB+         4.50    (#   1677:25  Unique         2.55, 3.29 A)
 &rst
  ixpk= 1677, nxpk= 25, iat= 785,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 778, 779,
 &end
#
#    0 AMB  25-2:1682     0 AMB  25-1:1682   5.50    (#   1682:25  Double Ambig)
 &rst
  ixpk= 1682, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1= 822, 823, 766, 767,
 igr2= 778, 779, 778, 779,
 &end
#
#   50 THR  MG2          50 THR  HA          2.80    (#   1683:25  Unique         2.29, 3.08 A)
 &rst
  ixpk= 1683, nxpk= 25, iat=  -1, 787, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 791, 792, 793,
 &end
#
#    0 AMB  25-2:1685    50 THR  HA          5.50    (#   1685:25  Single Ambig)
 &rst
  ixpk= 1685, nxpk= 25, iat=  -1, 787, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1384,1385, 836, 837,
 &end
#
#   55 PRO  HA           50 THR  HA          4.50    (#   1686:25  Unique         2.52, 3.98 A)
 &rst
  ixpk= 1686, nxpk= 25, iat= 863, 787, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   56 TYR  HN           50 THR  HA          4.50    (#   1688:25  Unique         3.57, 4.16 A)
 &rst
  ixpk= 1688, nxpk= 25, iat= 867, 787, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   56 TYR  HD           50 THR  HA          5.50    (#   1691:25  Unique         2.68, 5.72 A)
 &rst
  ixpk= 1691, nxpk= 25, iat=  -1, 787, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 875, 884,
 &end
#
#   54 GLY  HN           50 THR  HA          4.50    (#   1693:25  Unique         2.21, 2.94 A)
 &rst
  ixpk= 1693, nxpk= 25, iat= 846, 787, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:1694    50 THR  HA          3.50    (#   1694:25  Single Ambig)
 &rst
  ixpk= 1694, nxpk= 25, iat=  -1, 787, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 785, 799,
 &end
#
#    0 AMB  25-2:1695    50 THR  MG2         4.50    (#   1695:25  Single Ambig)
 &rst
  ixpk= 1695, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 799, 785,
 igr2= 791, 792, 793,
 &end
#
#   54 GLY  HN           50 THR  MG2         4.50    (#   1696:25  Unique         3.99, 5.13 A)
 &rst
  ixpk= 1696, nxpk= 25, iat= 846,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 791, 792, 793,
 &end
#
#   90 PHE  HD           50 THR  MG2         4.50    (#   1699:25  Unique         2.10, 5.54 A)
 &rst
  ixpk= 1699, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1388,1396,
 igr2= 791, 792, 793,
 &end
#
#   56 TYR  HN           50 THR  MG2         4.50    (#   1705:25  Unique         3.20, 5.41 A)
 &rst
  ixpk= 1705, nxpk= 25, iat= 867,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 791, 792, 793,
 &end
#
#   90 PHE  HA           50 THR  MG2         4.50    (#   1708:25  Unique         2.42, 3.46 A)
 &rst
  ixpk= 1708, nxpk= 25, iat=1382,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 791, 792, 793,
 &end
#
#   47 LYS  HA           50 THR  MG2         5.50    (#   1709:25  Unique         3.74, 4.70 A)
 &rst
  ixpk= 1709, nxpk= 25, iat= 742,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 791, 792, 793,
 &end
#
#   49 SER  HB+          50 THR  MG2         5.50    (#   1710:25  Unique         5.70, 7.03 A)
 &rst
  ixpk= 1710, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 778, 779,
 igr2= 791, 792, 793,
 &end
#
#   50 THR  HA           50 THR  MG2         3.50    (#   1711:25  Unique         2.29, 3.08 A)
 &rst
  ixpk= 1711, nxpk= 25, iat= 787,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 791, 792, 793,
 &end
#
#   55 PRO  HA           50 THR  MG2         4.50    (#   1712:25  Unique         2.19, 4.42 A)
 &rst
  ixpk= 1712, nxpk= 25, iat= 863,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 791, 792, 793,
 &end
#
#   55 PRO  HD+          50 THR  MG2         4.50    (#   1713:25  Unique         2.00, 5.24 A)
 &rst
  ixpk= 1713, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 854, 855,
 igr2= 791, 792, 793,
 &end
#
#   90 PHE  HB+          50 THR  MG2         5.50    (#   1714:25  Unique         2.10, 5.41 A)
 &rst
  ixpk= 1714, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1384,1385,
 igr2= 791, 792, 793,
 &end
#
#   91 PRO  HD+          50 THR  MG2         3.50    (#   1715:25  Unique         2.18, 3.46 A)
 &rst
  ixpk= 1715, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1401,1402,
 igr2= 791, 792, 793,
 &end
#
#   55 PRO  HG+          50 THR  MG2         5.50    (#   1716:25  Unique         2.29, 6.35 A)
 &rst
  ixpk= 1716, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 857, 858,
 igr2= 791, 792, 793,
 &end
#
#   55 PRO  HG-          50 THR  MG2         5.50    (#   1717:25  Unique         2.29, 6.35 A)
 &rst
  ixpk= 1717, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 857, 858,
 igr2= 791, 792, 793,
 &end
#
#    0 AMB  25-2:1718    50 THR  MG2         3.50    (#   1718:25  Single Ambig)
 &rst
  ixpk= 1718, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 320, 321, 860, 861,
 igr2= 791, 792, 793,
 &end
#
#    0 AMB  25-2:1719    50 THR  MG2         4.50    (#   1719:25  Single Ambig)
 &rst
  ixpk= 1719, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 747, 748,1407,1408,
 igr2= 791, 792, 793,
 &end
#
#   91 PRO  HG+          50 THR  MG2         5.50    (#   1720:25  Unique         2.48, 4.43 A)
 &rst
  ixpk= 1720, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1404,1405,
 igr2= 791, 792, 793,
 &end
#
#   25 ILE  QD1          50 THR  MG2         4.50    (#   1721:25  Unique         2.38, 4.93 A)
 &rst
  ixpk= 1721, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 395, 396, 397,
 igr2= 791, 792, 793,
 &end
#
#   46 ILE  QG2          50 THR  MG2         5.50    (#   1723:25  Unique         4.58, 6.86 A)
 &rst
  ixpk= 1723, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 727, 728, 729,
 igr2= 791, 792, 793,
 &end
#
#    0 AMB  25-2:1739    51 ILE  HB          2.80    (#   1739:25  Single Ambig)
 &rst
  ixpk= 1739, nxpk= 25, iat=  -1, 803, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 812, 813, 814, 805, 806, 807,
 &end
#
#   51 ILE  HG1-         51 ILE  HB          3.50    (#   1740:25  Unique         2.51, 2.81 A)
 &rst
  ixpk= 1740, nxpk= 25, iat=  -1, 803, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 809, 810,
 &end
#
#   51 ILE  HA           51 ILE  HB          3.50    (#   1741:25  Unique         3.03, 3.04 A)
 &rst
  ixpk= 1741, nxpk= 25, iat= 801, 803, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   48 ASP  HA           51 ILE  HB          3.50    (#   1742:25  Unique         2.29, 2.55 A)
 &rst
  ixpk= 1742, nxpk= 25, iat= 764, 803, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   52 ASN  HN           51 ILE  HB          2.80    (#   1744:25  Unique         2.44, 2.76 A)
 &rst
  ixpk= 1744, nxpk= 25, iat= 818, 803, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   51 ILE  HN           51 ILE  HB          2.80    (#   1745:25  Unique         2.20, 2.32 A)
 &rst
  ixpk= 1745, nxpk= 25, iat= 799, 803, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   51 ILE  HN           51 ILE  HG1-        4.50    (#   1746:25  Unique         2.31, 3.06 A)
 &rst
  ixpk= 1746, nxpk= 25, iat= 799,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 809, 810,
 &end
#
#   51 ILE  HA           51 ILE  HG1-        2.80    (#   1748:25  Unique         2.51, 2.67 A)
 &rst
  ixpk= 1748, nxpk= 25, iat= 801,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 809, 810,
 &end
#
#    0 AMB  25-2:1749    51 ILE  HG1-        2.80    (#   1749:25  Single Ambig)
 &rst
  ixpk= 1749, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 812, 813, 814, 805, 806, 807,
 igr2= 809, 810,
 &end
#
#   51 ILE  HG1-         51 ILE  QD1         2.80    (#   1750:25  Unique         2.36, 2.66 A)
 &rst
  ixpk= 1750, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 809, 810,
 igr2= 812, 813, 814,
 &end
#
#    0 AMB  25-2:1751    51 ILE  QD1         2.80    (#   1751:25  Single Ambig)
 &rst
  ixpk= 1751, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 803, 744, 745,
 igr2= 812, 813, 814,
 &end
#
#   51 ILE  HA           51 ILE  QD1         4.50    (#   1752:25  Unique         4.52, 4.66 A)
 &rst
  ixpk= 1752, nxpk= 25, iat= 801,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 812, 813, 814,
 &end
#
#   48 ASP  HA           51 ILE  QD1         3.50    (#   1753:25  Unique         2.21, 3.48 A)
 &rst
  ixpk= 1753, nxpk= 25, iat= 764,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 812, 813, 814,
 &end
#
#   51 ILE  HN           51 ILE  QD1         4.50    (#   1757:25  Unique         3.41, 4.30 A)
 &rst
  ixpk= 1757, nxpk= 25, iat= 799,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 812, 813, 814,
 &end
#
#   51 ILE  HN           51 ILE  QG2         4.50    (#   1758:25  Unique         4.22, 4.51 A)
 &rst
  ixpk= 1758, nxpk= 25, iat= 799,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 805, 806, 807,
 &end
#
#   52 ASN  HN           51 ILE  QG2         4.50    (#   1759:25  Unique         3.39, 4.27 A)
 &rst
  ixpk= 1759, nxpk= 25, iat= 818,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 805, 806, 807,
 &end
#
#   48 ASP  HA           51 ILE  QG2         4.50    (#   1760:25  Unique         4.11, 4.84 A)
 &rst
  ixpk= 1760, nxpk= 25, iat= 764,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 805, 806, 807,
 &end
#
#   52 ASN  HA           51 ILE  QG2         4.50    (#   1761:25  Unique         3.21, 4.36 A)
 &rst
  ixpk= 1761, nxpk= 25, iat= 820,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 805, 806, 807,
 &end
#
#   51 ILE  HA           51 ILE  QG2         2.80    (#   1762:25  Unique         2.66, 3.33 A)
 &rst
  ixpk= 1762, nxpk= 25, iat= 801,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 805, 806, 807,
 &end
#
#   51 ILE  HB           51 ILE  QG2         2.80    (#   1763:25  Unique         2.44, 2.66 A)
 &rst
  ixpk= 1763, nxpk= 25, iat= 803,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 805, 806, 807,
 &end
#
#   51 ILE  HG1-         51 ILE  QG2         2.80    (#   1764:25  Unique         2.47, 3.50 A)
 &rst
  ixpk= 1764, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 809, 810,
 igr2= 805, 806, 807,
 &end
#
#   51 ILE  QG2          52 ASN  HA          3.50    (#   1765:25  Unique         3.21, 4.36 A)
 &rst
  ixpk= 1765, nxpk= 25, iat=  -1, 820, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 805, 806, 807,
 &end
#
#   52 ASN  HB+          52 ASN  HA          2.80    (#   1766:25  Unique         2.61, 2.87 A)
 &rst
  ixpk= 1766, nxpk= 25, iat=  -1, 820, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 822, 823,
 &end
#
#   52 ASN  HD2-         52 ASN  HA          5.50    (#   1767:25  Unique         3.18, 3.63 A)
 &rst
  ixpk= 1767, nxpk= 25, iat=  -1, 820, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 827, 828,
 &end
#
#   52 ASN  HD2+         52 ASN  HA          5.50    (#   1768:25  Unique         3.18, 3.63 A)
 &rst
  ixpk= 1768, nxpk= 25, iat=  -1, 820, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 827, 828,
 &end
#
#   52 ASN  HN           52 ASN  HA          3.50    (#   1769:25  Unique         2.79, 2.83 A)
 &rst
  ixpk= 1769, nxpk= 25, iat= 818, 820, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   53 ASN  HN           52 ASN  HA          4.50    (#   1770:25  Unique         3.50, 3.54 A)
 &rst
  ixpk= 1770, nxpk= 25, iat= 832, 820, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   53 ASN  HN           52 ASN  HB+         3.50    (#   1771:25  Unique         2.68, 3.06 A)
 &rst
  ixpk= 1771, nxpk= 25, iat= 832,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 822, 823,
 &end
#
#    0 AMB  25-2:1772     0 AMB  25-1:1772   4.50    (#   1772:25  Double Ambig)
 &rst
  ixpk= 1772, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 799, 785,
 igr2= 822, 823, 822, 823,
 &end
#
#   52 ASN  HN           52 ASN  HB+         2.80    (#   1773:25  Unique         2.15, 2.86 A)
 &rst
  ixpk= 1773, nxpk= 25, iat= 818,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 822, 823,
 &end
#
#   52 ASN  HD2+         52 ASN  HB+         3.50    (#   1774:25  Unique         2.39, 3.46 A)
 &rst
  ixpk= 1774, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 827, 828,
 igr2= 822, 823,
 &end
#
#   52 ASN  HD2-         52 ASN  HB+         3.50    (#   1775:25  Unique         2.39, 3.46 A)
 &rst
  ixpk= 1775, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 827, 828,
 igr2= 822, 823,
 &end
#
#   52 ASN  HA           52 ASN  HB+         2.80    (#   1776:25  Unique         2.61, 2.87 A)
 &rst
  ixpk= 1776, nxpk= 25, iat= 820,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 822, 823,
 &end
#
#   49 SER  HA           52 ASN  HB+         2.80    (#   1777:25  Unique         2.07, 3.09 A)
 &rst
  ixpk= 1777, nxpk= 25, iat= 776,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 822, 823,
 &end
#
#   51 ILE  HB           52 ASN  HB+         5.50    (#   1778:25  Unique         4.42, 5.35 A)
 &rst
  ixpk= 1778, nxpk= 25, iat= 803,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 822, 823,
 &end
#
#   51 ILE  QG2          52 ASN  HB+         4.50    (#   1779:25  Unique         4.97, 6.40 A)
 &rst
  ixpk= 1779, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 805, 806, 807,
 igr2= 822, 823,
 &end
#
#   53 ASN  HB+          53 ASN  HA          2.80    (#   1780:25  Unique         2.21, 2.63 A)
 &rst
  ixpk= 1780, nxpk= 25, iat=  -1, 834, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 836, 837,
 &end
#
#   53 ASN  HD2+         53 ASN  HA          5.50    (#   1781:25  Unique         4.13, 4.54 A)
 &rst
  ixpk= 1781, nxpk= 25, iat=  -1, 834, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 841, 842,
 &end
#
#   53 ASN  HD2-         53 ASN  HA          5.50    (#   1782:25  Unique         4.13, 4.54 A)
 &rst
  ixpk= 1782, nxpk= 25, iat=  -1, 834, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 841, 842,
 &end
#
#   54 GLY  HN           53 ASN  HA          4.50    (#   1783:25  Unique         3.44, 3.52 A)
 &rst
  ixpk= 1783, nxpk= 25, iat= 846, 834, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   53 ASN  HN           53 ASN  HA          3.50    (#   1784:25  Unique         2.97, 3.00 A)
 &rst
  ixpk= 1784, nxpk= 25, iat= 832, 834, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   53 ASN  HN           53 ASN  HB+         3.50    (#   1785:25  Unique         2.38, 3.03 A)
 &rst
  ixpk= 1785, nxpk= 25, iat= 832,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 836, 837,
 &end
#
#   53 ASN  HN           53 ASN  HB-         2.80    (#   1786:25  Unique         2.38, 3.03 A)
 &rst
  ixpk= 1786, nxpk= 25, iat= 832,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 836, 837,
 &end
#
#   53 ASN  HD2+         53 ASN  HB+         3.50    (#   1787:25  Unique         2.19, 3.41 A)
 &rst
  ixpk= 1787, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 841, 842,
 igr2= 836, 837,
 &end
#
#   53 ASN  HD2+         53 ASN  HB-         3.50    (#   1788:25  Unique         2.19, 3.41 A)
 &rst
  ixpk= 1788, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 841, 842,
 igr2= 836, 837,
 &end
#
#   53 ASN  HD2-         53 ASN  HB+         4.50    (#   1789:25  Unique         2.19, 3.41 A)
 &rst
  ixpk= 1789, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 841, 842,
 igr2= 836, 837,
 &end
#
#   53 ASN  HD2-         53 ASN  HB-         5.50    (#   1790:25  Unique         2.19, 3.41 A)
 &rst
  ixpk= 1790, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 841, 842,
 igr2= 836, 837,
 &end
#
#   53 ASN  HA           53 ASN  HB+         2.80    (#   1791:25  Unique         2.21, 2.63 A)
 &rst
  ixpk= 1791, nxpk= 25, iat= 834,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 836, 837,
 &end
#
#   53 ASN  HA           53 ASN  HB-         2.80    (#   1792:25  Unique         2.21, 2.63 A)
 &rst
  ixpk= 1792, nxpk= 25, iat= 834,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 836, 837,
 &end
#
#   50 THR  MG2          54 GLY  HA+         5.50    (#   1793:25  Unique         2.17, 4.67 A)
 &rst
  ixpk= 1793, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 791, 792, 793,
 igr2= 848, 849,
 &end
#
#   50 THR  MG2          54 GLY  HA-         4.50    (#   1794:25  Unique         2.17, 4.67 A)
 &rst
  ixpk= 1794, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 791, 792, 793,
 igr2= 848, 849,
 &end
#
#   55 PRO  HB+          54 GLY  HA+         5.50    (#   1795:25  Unique         4.46, 5.59 A)
 &rst
  ixpk= 1795, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 860, 861,
 igr2= 848, 849,
 &end
#
#   91 PRO  HB-          54 GLY  HA+         5.50    (#   1796:25  Unique         4.93, 6.47 A)
 &rst
  ixpk= 1796, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1407,1408,
 igr2= 848, 849,
 &end
#
#   55 PRO  HG-          54 GLY  HA+         5.50    (#   1797:25  Unique         3.94, 4.85 A)
 &rst
  ixpk= 1797, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 857, 858,
 igr2= 848, 849,
 &end
#
#   55 PRO  HG+          54 GLY  HA+         5.50    (#   1798:25  Unique         3.94, 4.85 A)
 &rst
  ixpk= 1798, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 857, 858,
 igr2= 848, 849,
 &end
#
#   55 PRO  HG+          54 GLY  HA-         5.50    (#   1799:25  Unique         3.94, 4.85 A)
 &rst
  ixpk= 1799, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 857, 858,
 igr2= 848, 849,
 &end
#
#   55 PRO  HD+          54 GLY  HA+         3.50    (#   1800:25  Unique         2.02, 2.81 A)
 &rst
  ixpk= 1800, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 854, 855,
 igr2= 848, 849,
 &end
#
#   55 PRO  HD+          54 GLY  HA-         3.50    (#   1801:25  Unique         2.02, 2.81 A)
 &rst
  ixpk= 1801, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 854, 855,
 igr2= 848, 849,
 &end
#
#   55 PRO  HD-          54 GLY  HA+         3.50    (#   1802:25  Unique         2.02, 2.81 A)
 &rst
  ixpk= 1802, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 854, 855,
 igr2= 848, 849,
 &end
#
#   55 PRO  HD-          54 GLY  HA-         3.50    (#   1803:25  Unique         2.02, 2.81 A)
 &rst
  ixpk= 1803, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 854, 855,
 igr2= 848, 849,
 &end
#
#   54 GLY  HN           54 GLY  HA+         3.50    (#   1808:25  Unique         2.33, 2.70 A)
 &rst
  ixpk= 1808, nxpk= 25, iat= 846,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 848, 849,
 &end
#
#   54 GLY  HN           54 GLY  HA-         3.50    (#   1809:25  Unique         2.33, 2.70 A)
 &rst
  ixpk= 1809, nxpk= 25, iat= 846,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 848, 849,
 &end
#
#   56 TYR  HN           55 PRO  HA          2.80    (#   1815:25  Unique         2.00, 2.17 A)
 &rst
  ixpk= 1815, nxpk= 25, iat= 867, 863, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   57 TYR  HN           55 PRO  HA          4.50    (#   1816:25  Unique         3.59, 3.93 A)
 &rst
  ixpk= 1816, nxpk= 25, iat= 888, 863, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   55 PRO  HG+          55 PRO  HA          4.50    (#   1817:25  Unique         2.32, 3.62 A)
 &rst
  ixpk= 1817, nxpk= 25, iat=  -1, 863, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 857, 858,
 &end
#
#   55 PRO  HB+          55 PRO  HA          2.80    (#   1819:25  Unique         2.26, 2.63 A)
 &rst
  ixpk= 1819, nxpk= 25, iat=  -1, 863, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 860, 861,
 &end
#
#   50 THR  MG2          55 PRO  HA          4.50    (#   1820:25  Unique         2.19, 4.42 A)
 &rst
  ixpk= 1820, nxpk= 25, iat=  -1, 863, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 791, 792, 793,
 &end
#
#   58 ILE  QD1          55 PRO  HB+         2.80    (#   1821:25  Unique         2.26, 3.86 A)
 &rst
  ixpk= 1821, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 922, 923, 924,
 igr2= 860, 861,
 &end
#
#   55 PRO  HG-          55 PRO  HB+         2.80    (#   1823:25  Unique         2.26, 2.63 A)
 &rst
  ixpk= 1823, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 857, 858,
 igr2= 860, 861,
 &end
#
#   55 PRO  HD+          55 PRO  HB+         4.50    (#   1824:25  Unique         2.56, 3.70 A)
 &rst
  ixpk= 1824, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 854, 855,
 igr2= 860, 861,
 &end
#
#   55 PRO  HA           55 PRO  HB+         2.80    (#   1826:25  Unique         2.26, 2.63 A)
 &rst
  ixpk= 1826, nxpk= 25, iat= 863,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 860, 861,
 &end
#
#   57 TYR  HN           55 PRO  HB+         5.50    (#   1827:25  Unique         2.78, 4.21 A)
 &rst
  ixpk= 1827, nxpk= 25, iat= 888,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 860, 861,
 &end
#
#   56 TYR  HN           55 PRO  HB+         4.50    (#   1828:25  Unique         2.93, 3.94 A)
 &rst
  ixpk= 1828, nxpk= 25, iat= 867,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 860, 861,
 &end
#
#   90 PHE  HD           55 PRO  HB+         4.50    (#   1829:25  Unique         2.61, 4.71 A)
 &rst
  ixpk= 1829, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1388,1396,
 igr2= 860, 861,
 &end
#
#   55 PRO  HD-          55 PRO  HG+         2.80    (#   1831:25  Unique         2.26, 2.60 A)
 &rst
  ixpk= 1831, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 854, 855,
 igr2= 857, 858,
 &end
#
#   55 PRO  HD-          55 PRO  HG-         3.50    (#   1832:25  Unique         2.26, 2.60 A)
 &rst
  ixpk= 1832, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 854, 855,
 igr2= 857, 858,
 &end
#
#   55 PRO  HD+          55 PRO  HG+         3.50    (#   1833:25  Unique         2.26, 2.60 A)
 &rst
  ixpk= 1833, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 854, 855,
 igr2= 857, 858,
 &end
#
#   55 PRO  HD+          55 PRO  HG-         2.80    (#   1834:25  Unique         2.26, 2.60 A)
 &rst
  ixpk= 1834, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 854, 855,
 igr2= 857, 858,
 &end
#
#    0 AMB  25-2:1835     0 AMB  25-1:1835   2.80    (#   1835:25  Double Ambig)
 &rst
  ixpk= 1835, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1508,1509, 551, 552,
 igr2=1505,1506, 548, 549,
 &end
#
#  100 LEU  MDY          66 PRO  HD-         4.50    (#   1839:25  Unique         2.16, 5.22 A)
 &rst
  ixpk= 1839, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1545,1546,1547,1549,1550,1551,
 igr2=1022,1023,
 &end
#
#    0 AMB  25-2:1840    66 PRO  HD-         4.50    (#   1840:25  Single Ambig)
 &rst
  ixpk= 1840, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 727, 728, 729, 937, 938, 939, 941, 942, 943, 388,
       389, 390,
 igr2=1022,1023,
 &end
#
#   64 ALA  MB           66 PRO  HD-         4.50    (#   1841:25  Unique         2.53, 4.41 A)
 &rst
  ixpk= 1841, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 998, 999,1000,
 igr2=1022,1023,
 &end
#
#  100 LEU  HB-          66 PRO  HD-         4.50    (#   1842:25  Unique         2.26, 3.50 A)
 &rst
  ixpk= 1842, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1540,1541,
 igr2=1022,1023,
 &end
#
#    0 AMB  25-2:1843     0 AMB  25-1:1843   3.50    (#   1843:25  Double Ambig)
 &rst
  ixpk= 1843, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1=1025,1026, 860, 861,
 igr2=1022,1023, 854, 855,
 &end
#
#    0 AMB  25-2:1844     0 AMB  25-1:1844   5.50    (#   1844:25  Double Ambig)
 &rst
  ixpk= 1844, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1=1486,1487,1407,1408,
 igr2= 854, 855, 854, 855,
 &end
#
#    0 AMB  25-2:1845     0 AMB  25-1:1845   3.50    (#   1845:25  Double Ambig)
 &rst
  ixpk= 1845, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 857, 858,1540,1541,1028,1029,
 igr2= 854, 855,1022,1023,
 &end
#
#   55 PRO  HG+          55 PRO  HD+         3.50    (#   1846:25  Unique         2.26, 2.60 A)
 &rst
  ixpk= 1846, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 857, 858,
 igr2= 854, 855,
 &end
#
#    0 AMB  25-2:1847    66 PRO  HD-         5.50    (#   1847:25  Single Ambig)
 &rst
  ixpk= 1847, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1011,1012,1008,1009,
 igr2=1022,1023,
 &end
#
#   54 GLY  HA+          55 PRO  HD+         3.50    (#   1849:25  Unique         2.02, 2.81 A)
 &rst
  ixpk= 1849, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 848, 849,
 igr2= 854, 855,
 &end
#
#   54 GLY  HN           55 PRO  HD+         5.50    (#   1851:25  Unique         4.50, 4.89 A)
 &rst
  ixpk= 1851, nxpk= 25, iat= 846,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 854, 855,
 &end
#
#   56 TYR  HB-          56 TYR  HA          2.80    (#   1858:25  Unique         2.17, 2.59 A)
 &rst
  ixpk= 1858, nxpk= 25, iat=  -1, 869, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 871, 872,
 &end
#
#   57 TYR  HN           56 TYR  HB+         5.50    (#   1865:25  Unique         2.80, 3.89 A)
 &rst
  ixpk= 1865, nxpk= 25, iat= 888,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 871, 872,
 &end
#
#   57 TYR  HN           56 TYR  HB-         5.50    (#   1866:25  Unique         2.80, 3.89 A)
 &rst
  ixpk= 1866, nxpk= 25, iat= 888,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 871, 872,
 &end
#
#   56 TYR  HN           56 TYR  HB+         4.50    (#   1867:25  Unique         2.04, 2.97 A)
 &rst
  ixpk= 1867, nxpk= 25, iat= 867,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 871, 872,
 &end
#
#   56 TYR  HN           56 TYR  HB-         4.50    (#   1869:25  Unique         2.04, 2.97 A)
 &rst
  ixpk= 1869, nxpk= 25, iat= 867,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 871, 872,
 &end
#
#   56 TYR  HD           56 TYR  HB+         3.50    (#   1871:25  Unique         2.28, 3.08 A)
 &rst
  ixpk= 1871, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 875, 884,
 igr2= 871, 872,
 &end
#
#   56 TYR  HD           56 TYR  HB-         3.50    (#   1874:25  Unique         2.28, 3.08 A)
 &rst
  ixpk= 1874, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 875, 884,
 igr2= 871, 872,
 &end
#
#   58 ILE  HN           57 TYR  HA          4.50    (#   1876:25  Unique         2.13, 2.22 A)
 &rst
  ixpk= 1876, nxpk= 25, iat= 909, 890, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   57 TYR  HN           57 TYR  HA          4.50    (#   1878:25  Unique         2.87, 2.92 A)
 &rst
  ixpk= 1878, nxpk= 25, iat= 888, 890, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   57 TYR  HB+          57 TYR  HA          4.50    (#   1879:25  Unique         2.51, 2.83 A)
 &rst
  ixpk= 1879, nxpk= 25, iat=  -1, 890, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 892, 893,
 &end
#
#   57 TYR  HB-          57 TYR  HA          3.50    (#   1880:25  Unique         2.51, 2.83 A)
 &rst
  ixpk= 1880, nxpk= 25, iat=  -1, 890, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 892, 893,
 &end
#
#   59 LEU  MDX          57 TYR  HA          5.50    (#   1881:25  Unique         4.42, 6.40 A)
 &rst
  ixpk= 1881, nxpk= 25, iat=  -1, 890, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 937, 938, 939, 941, 942, 943,
 &end
#
#   64 ALA  MB           57 TYR  HB+         5.50    (#   1882:25  Unique         3.68, 6.14 A)
 &rst
  ixpk= 1882, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 998, 999,1000,
 igr2= 892, 893,
 &end
#
#   65 MET  HB-          57 TYR  HB+         5.50    (#   1883:25  Unique         2.31, 4.91 A)
 &rst
  ixpk= 1883, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1008,1009,
 igr2= 892, 893,
 &end
#
#   65 MET  ME           57 TYR  HB+         5.50    (#   1884:25  Unique         3.29, 6.60 A)
 &rst
  ixpk= 1884, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1015,1016,1017,
 igr2= 892, 893,
 &end
#
#   65 MET  HB+          57 TYR  HB+         4.50    (#   1886:25  Unique         2.31, 4.91 A)
 &rst
  ixpk= 1886, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1008,1009,
 igr2= 892, 893,
 &end
#
#   66 PRO  HA           57 TYR  HB+         5.50    (#   1887:25  Unique         2.40, 3.51 A)
 &rst
  ixpk= 1887, nxpk= 25, iat=1031,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 892, 893,
 &end
#
#   57 TYR  HA           57 TYR  HB+         3.50    (#   1890:25  Unique         2.51, 2.83 A)
 &rst
  ixpk= 1890, nxpk= 25, iat= 890,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 892, 893,
 &end
#
#   64 ALA  HA           57 TYR  HB+         5.50    (#   1891:25  Unique         3.92, 5.46 A)
 &rst
  ixpk= 1891, nxpk= 25, iat= 996,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 892, 893,
 &end
#
#   57 TYR  HN           57 TYR  HB+         5.50    (#   1892:25  Unique         2.66, 3.17 A)
 &rst
  ixpk= 1892, nxpk= 25, iat= 888,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 892, 893,
 &end
#
#   58 ILE  HN           57 TYR  HB+         5.50    (#   1896:25  Unique         2.84, 4.07 A)
 &rst
  ixpk= 1896, nxpk= 25, iat= 909,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 892, 893,
 &end
#
#   65 MET  HN           57 TYR  HB+         4.50    (#   1897:25  Unique         2.37, 3.70 A)
 &rst
  ixpk= 1897, nxpk= 25, iat=1004,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 892, 893,
 &end
#
#   57 TYR  HN           57 TYR  HB-         5.50    (#   1900:25  Unique         2.66, 3.17 A)
 &rst
  ixpk= 1900, nxpk= 25, iat= 888,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 892, 893,
 &end
#
#   57 TYR  HA           57 TYR  HB-         3.50    (#   1902:25  Unique         2.51, 2.83 A)
 &rst
  ixpk= 1902, nxpk= 25, iat= 890,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 892, 893,
 &end
#
#   58 ILE  QD1          58 ILE  HA          3.50    (#   1904:25  Unique         2.19, 3.19 A)
 &rst
  ixpk= 1904, nxpk= 25, iat=  -1, 911, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 922, 923, 924,
 &end
#
#   58 ILE  QG2          58 ILE  HA          2.80    (#   1905:25  Unique         2.54, 3.26 A)
 &rst
  ixpk= 1905, nxpk= 25, iat=  -1, 911, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 915, 916, 917,
 &end
#
#   59 LEU  MDY          58 ILE  HA          3.50    (#   1906:25  Unique         2.63, 4.83 A)
 &rst
  ixpk= 1906, nxpk= 25, iat=  -1, 911, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 937, 938, 939, 941, 942, 943,
 &end
#
#   64 ALA  MB           58 ILE  HA          3.50    (#   1907:25  Unique         2.94, 3.97 A)
 &rst
  ixpk= 1907, nxpk= 25, iat=  -1, 911, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 998, 999,1000,
 &end
#
#   58 ILE  HG1-         58 ILE  HA          4.50    (#   1908:25  Unique         2.99, 3.50 A)
 &rst
  ixpk= 1908, nxpk= 25, iat=  -1, 911, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 919, 920,
 &end
#
#   58 ILE  HB           58 ILE  HA          4.50    (#   1909:25  Unique         3.04, 3.05 A)
 &rst
  ixpk= 1909, nxpk= 25, iat= 913, 911, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   64 ALA  HA           58 ILE  HA          2.80    (#   1910:25  Unique         1.98, 2.09 A)
 &rst
  ixpk= 1910, nxpk= 25, iat= 996, 911, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   65 MET  HN           58 ILE  HA          4.50    (#   1911:25  Unique         3.24, 3.57 A)
 &rst
  ixpk= 1911, nxpk= 25, iat=1004, 911, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   59 LEU  HN           58 ILE  HA          2.80    (#   1912:25  Unique         2.24, 2.30 A)
 &rst
  ixpk= 1912, nxpk= 25, iat= 928, 911, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   58 ILE  HN           58 ILE  HB          2.80    (#   1913:25  Unique         2.69, 2.78 A)
 &rst
  ixpk= 1913, nxpk= 25, iat= 909, 913, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   57 TYR  HN           58 ILE  HB          5.50    (#   1914:25  Unique         4.72, 5.18 A)
 &rst
  ixpk= 1914, nxpk= 25, iat= 888, 913, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   58 ILE  HA           58 ILE  HB          3.50    (#   1915:25  Unique         3.04, 3.05 A)
 &rst
  ixpk= 1915, nxpk= 25, iat= 911, 913, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   58 ILE  HG1-         58 ILE  HB          2.80    (#   1916:25  Unique         2.33, 2.42 A)
 &rst
  ixpk= 1916, nxpk= 25, iat=  -1, 913, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 919, 920,
 &end
#
#   58 ILE  QG2          58 ILE  HB          2.80    (#   1917:25  Unique         2.39, 2.66 A)
 &rst
  ixpk= 1917, nxpk= 25, iat=  -1, 913, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 915, 916, 917,
 &end
#
#    0 AMB  25-2:1918    63 VAL  HB          2.80    (#   1918:25  Single Ambig)
 &rst
  ixpk= 1918, nxpk= 25, iat=  -1, 982, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 984, 985, 986, 988, 989, 990,1942,1943,1944,1946,
      1947,1948,1942,1943,1944,1946,1947,1948,
 &end
#
#   58 ILE  QD1          58 ILE  HB          3.50    (#   1919:25  Unique         3.76, 3.99 A)
 &rst
  ixpk= 1919, nxpk= 25, iat=  -1, 913, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 922, 923, 924,
 &end
#
#  144 ILE  QD1         144 ILE  HG1-        2.80    (#   1920:25  Unique         2.25, 2.64 A)
 &rst
  ixpk= 1920, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=2195,2196,2197,
 igr2=2192,2193,
 &end
#
#   58 ILE  QD1          58 ILE  HG1-        3.50    (#   1921:25  Unique         2.29, 2.66 A)
 &rst
  ixpk= 1921, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 922, 923, 924,
 igr2= 919, 920,
 &end
#
#   58 ILE  HB           58 ILE  HG1-        2.80    (#   1922:25  Unique         2.33, 2.42 A)
 &rst
  ixpk= 1922, nxpk= 25, iat= 913,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 919, 920,
 &end
#
#    0 AMB  25-2:1923   144 ILE  HG1-        3.50    (#   1923:25  Single Ambig)
 &rst
  ixpk= 1923, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=2143,2184,
 igr2=2192,2193,
 &end
#
#   58 ILE  HA           58 ILE  HG1-        4.50    (#   1924:25  Unique         2.99, 3.50 A)
 &rst
  ixpk= 1924, nxpk= 25, iat= 911,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 919, 920,
 &end
#
#  144 ILE  HN          144 ILE  HG1-        3.50    (#   1925:25  Unique         2.21, 3.10 A)
 &rst
  ixpk= 1925, nxpk= 25, iat=2182,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=2192,2193,
 &end
#
#   58 ILE  HN           58 ILE  HG1-        4.50    (#   1926:25  Unique         3.13, 3.94 A)
 &rst
  ixpk= 1926, nxpk= 25, iat= 909,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 919, 920,
 &end
#
#    0 AMB  25-2:1927    58 ILE  QD1         5.50    (#   1927:25  Single Ambig)
 &rst
  ixpk= 1927, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 971, 994,
 igr2= 922, 923, 924,
 &end
#
#   65 MET  HN           58 ILE  QD1         5.50    (#   1928:25  Unique         3.85, 5.21 A)
 &rst
  ixpk= 1928, nxpk= 25, iat=1004,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 922, 923, 924,
 &end
#
#   59 LEU  HN           58 ILE  QD1         4.50    (#   1930:25  Unique         3.86, 4.82 A)
 &rst
  ixpk= 1930, nxpk= 25, iat= 928,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 922, 923, 924,
 &end
#
#   90 PHE  HD           58 ILE  QD1         5.50    (#   1932:25  Unique         2.16, 5.19 A)
 &rst
  ixpk= 1932, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1388,1396,
 igr2= 922, 923, 924,
 &end
#
#   56 TYR  HN           58 ILE  QD1         5.50    (#   1933:25  Unique         4.25, 6.08 A)
 &rst
  ixpk= 1933, nxpk= 25, iat= 867,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 922, 923, 924,
 &end
#
#   57 TYR  HN           58 ILE  QD1         5.50    (#   1934:25  Unique         3.66, 4.81 A)
 &rst
  ixpk= 1934, nxpk= 25, iat= 888,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 922, 923, 924,
 &end
#
#   64 ALA  HA           58 ILE  QD1         4.50    (#   1935:25  Unique         2.53, 3.93 A)
 &rst
  ixpk= 1935, nxpk= 25, iat= 996,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 922, 923, 924,
 &end
#
#   58 ILE  HA           58 ILE  QD1         3.50    (#   1938:25  Unique         2.19, 3.19 A)
 &rst
  ixpk= 1938, nxpk= 25, iat= 911,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 922, 923, 924,
 &end
#
#   55 PRO  HA           58 ILE  QD1         5.50    (#   1939:25  Unique         3.65, 5.38 A)
 &rst
  ixpk= 1939, nxpk= 25, iat= 863,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 922, 923, 924,
 &end
#
#   55 PRO  HD+          58 ILE  QD1         5.50    (#   1940:25  Unique         4.30, 6.77 A)
 &rst
  ixpk= 1940, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 854, 855,
 igr2= 922, 923, 924,
 &end
#
#   90 PHE  HB+          58 ILE  QD1         4.50    (#   1941:25  Unique         3.00, 5.18 A)
 &rst
  ixpk= 1941, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1384,1385,
 igr2= 922, 923, 924,
 &end
#
#   93 ASN  HB-          58 ILE  QD1         4.50    (#   1942:25  Unique         3.37, 5.39 A)
 &rst
  ixpk= 1942, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1425,1426,
 igr2= 922, 923, 924,
 &end
#
#    0 AMB  25-2:1943    58 ILE  QD1         3.50    (#   1943:25  Single Ambig)
 &rst
  ixpk= 1943, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1384,1385,1425,1426,
 igr2= 922, 923, 924,
 &end
#
#   55 PRO  HG+          58 ILE  QD1         4.50    (#   1944:25  Unique         2.82, 5.20 A)
 &rst
  ixpk= 1944, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 857, 858,
 igr2= 922, 923, 924,
 &end
#
#   58 ILE  HB           58 ILE  QD1         3.50    (#   1945:25  Unique         3.76, 3.99 A)
 &rst
  ixpk= 1945, nxpk= 25, iat= 913,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 922, 923, 924,
 &end
#
#   55 PRO  HG-          58 ILE  QD1         4.50    (#   1946:25  Unique         2.82, 5.20 A)
 &rst
  ixpk= 1946, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 857, 858,
 igr2= 922, 923, 924,
 &end
#
#   97 ILE  HG1-         58 ILE  QD1         4.50    (#   1947:25  Unique         2.81, 4.03 A)
 &rst
  ixpk= 1947, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1486,1487,
 igr2= 922, 923, 924,
 &end
#
#   55 PRO  HB+          58 ILE  QD1         3.50    (#   1948:25  Unique         2.26, 3.86 A)
 &rst
  ixpk= 1948, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 860, 861,
 igr2= 922, 923, 924,
 &end
#
#   58 ILE  HG1-         58 ILE  QD1         3.50    (#   1949:25  Unique         2.29, 2.66 A)
 &rst
  ixpk= 1949, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 919, 920,
 igr2= 922, 923, 924,
 &end
#
#   64 ALA  MB           58 ILE  QD1         3.50    (#   1950:25  Unique         2.23, 3.83 A)
 &rst
  ixpk= 1950, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 998, 999,1000,
 igr2= 922, 923, 924,
 &end
#
#   59 LEU  MDY          58 ILE  QD1         4.50    (#   1951:25  Unique         4.50, 7.81 A)
 &rst
  ixpk= 1951, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 937, 938, 939, 941, 942, 943,
 igr2= 922, 923, 924,
 &end
#
#    0 AMB  25-2:1952    58 ILE  QD1         2.80    (#   1952:25  Single Ambig)
 &rst
  ixpk= 1952, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15,
 igr1= 915, 916, 917,1486,1487,
 igr2= 922, 923, 924,
 &end
#
#   97 ILE  QD1          58 ILE  QD1         3.50    (#   1953:25  Unique         2.23, 3.80 A)
 &rst
  ixpk= 1953, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1489,1490,1491,
 igr2= 922, 923, 924,
 &end
#
#   58 ILE  QD1          58 ILE  QG2         2.80    (#   1954:25  Unique         2.25, 3.70 A)
 &rst
  ixpk= 1954, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 922, 923, 924,
 igr2= 915, 916, 917,
 &end
#
#   58 ILE  HG1-         58 ILE  QG2         2.80    (#   1955:25  Unique         2.35, 3.52 A)
 &rst
  ixpk= 1955, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 919, 920,
 igr2= 915, 916, 917,
 &end
#
#   58 ILE  HB           58 ILE  QG2         2.80    (#   1956:25  Unique         2.39, 2.66 A)
 &rst
  ixpk= 1956, nxpk= 25, iat= 913,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 915, 916, 917,
 &end
#
#    0 AMB  25-2:1957    58 ILE  QG2         2.80    (#   1957:25  Single Ambig)
 &rst
  ixpk= 1957, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 911, 967,
 igr2= 915, 916, 917,
 &end
#
#   93 ASN  HD2+         58 ILE  QG2         4.50    (#   1958:25  Unique         2.74, 4.82 A)
 &rst
  ixpk= 1958, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1430,1431,
 igr2= 915, 916, 917,
 &end
#
#   60 ALA  HN           58 ILE  QG2         2.80    (#   1959:25  Unique         2.78, 3.51 A)
 &rst
  ixpk= 1959, nxpk= 25, iat= 947,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 915, 916, 917,
 &end
#
#   63 VAL  HN           58 ILE  QG2         4.50    (#   1960:25  Unique         3.42, 4.56 A)
 &rst
  ixpk= 1960, nxpk= 25, iat= 978,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 915, 916, 917,
 &end
#
#    0 AMB  25-2:1961    59 LEU  HA          2.80    (#   1961:25  Single Ambig)
 &rst
  ixpk= 1961, nxpk= 25, iat=  -1, 930, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 928, 947,
 &end
#
#   59 LEU  MDX          59 LEU  HA          2.80    (#   1962:25  Unique         2.27, 3.68 A)
 &rst
  ixpk= 1962, nxpk= 25, iat=  -1, 930, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 937, 938, 939, 941, 942, 943,
 &end
#
#    0 AMB  25-2:1963     0 AMB  25-1:1963   2.80    (#   1963:25  Double Ambig)
 &rst
  ixpk= 1963, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
 igr1= 937, 938, 939, 941, 942, 943, 984, 985, 986, 988,
       989, 990,
 igr2= 932, 933, 932, 933,
 &end
#
#    0 AMB  25-2:1964     0 AMB  25-1:1964   2.80    (#   1964:25  Double Ambig)
 &rst
  ixpk= 1964, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
 igr1= 937, 938, 939, 941, 942, 943, 984, 985, 986, 988,
       989, 990,
 igr2= 932, 933, 932, 933,
 &end
#
#    0 AMB  25-2:1965    59 LEU  HB-         2.80    (#   1965:25  Single Ambig)
 &rst
  ixpk= 1965, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1= 937, 938, 939, 941, 942, 943, 984, 985, 986, 988,
       989, 990,
 igr2= 932, 933,
 &end
#
#    0 AMB  25-2:1966    59 LEU  HB-         2.80    (#   1966:25  Single Ambig)
 &rst
  ixpk= 1966, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1= 937, 938, 939, 941, 942, 943, 984, 985, 986, 988,
       989, 990,
 igr2= 932, 933,
 &end
#
#   63 VAL  HB           59 LEU  HB+         4.50    (#   1967:25  Unique         2.42, 3.76 A)
 &rst
  ixpk= 1967, nxpk= 25, iat= 982,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 932, 933,
 &end
#
#   63 VAL  HB           59 LEU  HB-         4.50    (#   1968:25  Unique         2.42, 3.76 A)
 &rst
  ixpk= 1968, nxpk= 25, iat= 982,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 932, 933,
 &end
#
#   59 LEU  HA           59 LEU  HB+         3.50    (#   1969:25  Unique         2.42, 2.76 A)
 &rst
  ixpk= 1969, nxpk= 25, iat= 930,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 932, 933,
 &end
#
#   59 LEU  HA           59 LEU  HB-         3.50    (#   1970:25  Unique         2.42, 2.76 A)
 &rst
  ixpk= 1970, nxpk= 25, iat= 930,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 932, 933,
 &end
#
#   64 ALA  HA           59 LEU  HB+         5.50    (#   1971:25  Unique         3.30, 5.07 A)
 &rst
  ixpk= 1971, nxpk= 25, iat= 996,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 932, 933,
 &end
#
#   64 ALA  HA           59 LEU  HB-         5.50    (#   1972:25  Unique         3.30, 5.07 A)
 &rst
  ixpk= 1972, nxpk= 25, iat= 996,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 932, 933,
 &end
#
#    0 AMB  25-2:1973     0 AMB  25-1:1973   3.50    (#   1973:25  Double Ambig)
 &rst
  ixpk= 1973, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 928, 947,
 igr2= 932, 933, 932, 933,
 &end
#
#    0 AMB  25-2:1974    59 LEU  HB-         3.50    (#   1974:25  Single Ambig)
 &rst
  ixpk= 1974, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 928, 947,
 igr2= 932, 933,
 &end
#
#    0 AMB  25-2:1975     0 AMB  25-1:1975   4.50    (#   1975:25  Double Ambig)
 &rst
  ixpk= 1975, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1449, 211,
 igr2=1466,1467,2129,
 &end
#
#  121 LEU  HA          121 LEU  HG          3.50    (#   1976:25  Unique         3.35, 3.40 A)
 &rst
  ixpk= 1976, nxpk= 25, iat=1822,1827, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   59 LEU  HB-          59 LEU  MDX         2.80    (#   1978:25  Unique         2.25, 3.48 A)
 &rst
  ixpk= 1978, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 932, 933,
 igr2= 937, 938, 939, 941, 942, 943,
 &end
#
#   59 LEU  HB+          59 LEU  MDX         2.80    (#   1979:25  Unique         2.25, 3.48 A)
 &rst
  ixpk= 1979, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 932, 933,
 igr2= 937, 938, 939, 941, 942, 943,
 &end
#
#   65 MET  HB-          59 LEU  MDX         2.80    (#   1980:25  Unique         2.08, 3.97 A)
 &rst
  ixpk= 1980, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1008,1009,
 igr2= 937, 938, 939, 941, 942, 943,
 &end
#
#   65 MET  HB+          59 LEU  MDX         4.50    (#   1981:25  Unique         2.08, 3.97 A)
 &rst
  ixpk= 1981, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1008,1009,
 igr2= 937, 938, 939, 941, 942, 943,
 &end
#
#   59 LEU  HA           59 LEU  MDX         2.80    (#   1982:25  Unique         2.27, 3.68 A)
 &rst
  ixpk= 1982, nxpk= 25, iat= 930,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 937, 938, 939, 941, 942, 943,
 &end
#
#   60 ALA  HN           59 LEU  MDY         4.50    (#   1984:25  Unique         4.00, 5.43 A)
 &rst
  ixpk= 1984, nxpk= 25, iat= 947,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 937, 938, 939, 941, 942, 943,
 &end
#
#   59 LEU  HA           59 LEU  MDY         3.50    (#   1985:25  Unique         2.27, 3.68 A)
 &rst
  ixpk= 1985, nxpk= 25, iat= 930,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 937, 938, 939, 941, 942, 943,
 &end
#
#   65 MET  HB+          59 LEU  MDY         3.50    (#   1986:25  Unique         2.08, 3.97 A)
 &rst
  ixpk= 1986, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1008,1009,
 igr2= 937, 938, 939, 941, 942, 943,
 &end
#
#  115 ILE  QD1          59 LEU  MDY         5.50    (#   1987:25  Unique         4.98, 7.34 A)
 &rst
  ixpk= 1987, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=1742,1743,1744,
 igr2= 937, 938, 939, 941, 942, 943,
 &end
#
#   60 ALA  HN           60 ALA  HA          3.50    (#   1988:25  Unique         2.86, 2.88 A)
 &rst
  ixpk= 1988, nxpk= 25, iat= 947, 949, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   61 PRO  HD+          60 ALA  HA          2.80    (#   1989:25  Unique         2.21, 2.60 A)
 &rst
  ixpk= 1989, nxpk= 25, iat=  -1, 949, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 958, 959,
 &end
#
#   61 PRO  HD-          60 ALA  HA          2.80    (#   1990:25  Unique         2.21, 2.60 A)
 &rst
  ixpk= 1990, nxpk= 25, iat=  -1, 949, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 958, 959,
 &end
#
#    0 AMB  25-2:1991    60 ALA  HA          4.50    (#   1991:25  Single Ambig)
 &rst
  ixpk= 1991, nxpk= 25, iat=  -1, 949, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 961, 962, 964, 965,
 &end
#
#    0 AMB  25-2:1992    60 ALA  HA          4.50    (#   1992:25  Single Ambig)
 &rst
  ixpk= 1992, nxpk= 25, iat=  -1, 949, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1= 982, 961, 962, 964, 965,
 &end
#
#   60 ALA  MB           60 ALA  HA          2.80    (#   1993:25  Unique         2.47, 2.69 A)
 &rst
  ixpk= 1993, nxpk= 25, iat=  -1, 949, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 951, 952, 953,
 &end
#
#   58 ILE  QG2          60 ALA  HA          4.50    (#   1995:25  Unique         3.65, 4.72 A)
 &rst
  ixpk= 1995, nxpk= 25, iat=  -1, 949, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 915, 916, 917,
 &end
#
#   63 VAL  HB           60 ALA  MB          2.80    (#   1996:25  Unique         2.18, 3.32 A)
 &rst
  ixpk= 1996, nxpk= 25, iat= 982,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 951, 952, 953,
 &end
#
#   61 PRO  HD-          60 ALA  MB          2.80    (#   1997:25  Unique         2.14, 3.73 A)
 &rst
  ixpk= 1997, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 958, 959,
 igr2= 951, 952, 953,
 &end
#
#   61 PRO  HD+          60 ALA  MB          2.80    (#   1998:25  Unique         2.14, 3.73 A)
 &rst
  ixpk= 1998, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 958, 959,
 igr2= 951, 952, 953,
 &end
#
#   60 ALA  HA           60 ALA  MB          2.80    (#   1999:25  Unique         2.47, 2.69 A)
 &rst
  ixpk= 1999, nxpk= 25, iat= 949,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 951, 952, 953,
 &end
#
#    0 AMB  25-2:2000    60 ALA  MB          4.50    (#   2000:25  Single Ambig)
 &rst
  ixpk= 2000, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 930, 967,
 igr2= 951, 952, 953,
 &end
#
#   60 ALA  HN           60 ALA  MB          3.50    (#   2001:25  Unique         2.91, 3.46 A)
 &rst
  ixpk= 2001, nxpk= 25, iat= 947,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 951, 952, 953,
 &end
#
#   63 VAL  HN           60 ALA  MB          4.50    (#   2002:25  Unique         3.65, 4.69 A)
 &rst
  ixpk= 2002, nxpk= 25, iat= 978,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 951, 952, 953,
 &end
#
#   62 GLY  HN           61 PRO  HA          2.80    (#   2003:25  Unique         2.15, 2.19 A)
 &rst
  ixpk= 2003, nxpk= 25, iat= 971, 967, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   63 VAL  HN           61 PRO  HA          4.50    (#   2004:25  Unique         3.42, 3.65 A)
 &rst
  ixpk= 2004, nxpk= 25, iat= 978, 967, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:2005    61 PRO  HA          5.50    (#   2005:25  Single Ambig)
 &rst
  ixpk= 2005, nxpk= 25, iat=  -1, 967, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1447, 947,
 &end
#
#   61 PRO  HD+          61 PRO  HA          4.50    (#   2006:25  Unique         3.33, 3.74 A)
 &rst
  ixpk= 2006, nxpk= 25, iat=  -1, 967, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 958, 959,
 &end
#
#   61 PRO  HD-          61 PRO  HA          4.50    (#   2007:25  Unique         3.33, 3.74 A)
 &rst
  ixpk= 2007, nxpk= 25, iat=  -1, 967, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 958, 959,
 &end
#
#    0 AMB  25-2:2008    61 PRO  HA          2.80    (#   2008:25  Single Ambig)
 &rst
  ixpk= 2008, nxpk= 25, iat=  -1, 967, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 964, 965, 961, 962,
 &end
#
#    0 AMB  25-2:2009    61 PRO  HA          3.50    (#   2009:25  Single Ambig)
 &rst
  ixpk= 2009, nxpk= 25, iat=  -1, 967, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 964, 965, 961, 962,
 &end
#
#   60 ALA  MB           61 PRO  HA          5.50    (#   2010:25  Unique         5.01, 5.52 A)
 &rst
  ixpk= 2010, nxpk= 25, iat=  -1, 967, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 951, 952, 953,
 &end
#
#   63 VAL  MGX          61 PRO  HA          5.50    (#   2011:25  Unique         4.86, 7.22 A)
 &rst
  ixpk= 2011, nxpk= 25, iat=  -1, 967, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 984, 985, 986, 988, 989, 990,
 &end
#
#   58 ILE  QG2          61 PRO  HA          4.50    (#   2012:25  Unique         3.61, 4.38 A)
 &rst
  ixpk= 2012, nxpk= 25, iat=  -1, 967, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 915, 916, 917,
 &end
#
#   97 ILE  QD1          61 PRO  HA          5.50    (#   2013:25  Unique         3.97, 4.68 A)
 &rst
  ixpk= 2013, nxpk= 25, iat=  -1, 967, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1489,1490,1491,
 &end
#
#   61 PRO  HD-          61 PRO  HB+         4.50    (#   2014:25  Unique         2.80, 3.68 A)
 &rst
  ixpk= 2014, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 958, 959,
 igr2= 964, 965,
 &end
#
#   61 PRO  HD+          61 PRO  HB+         4.50    (#   2015:25  Unique         2.80, 3.68 A)
 &rst
  ixpk= 2015, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 958, 959,
 igr2= 964, 965,
 &end
#
#   61 PRO  HA           61 PRO  HB+         3.50    (#   2016:25  Unique         2.27, 2.63 A)
 &rst
  ixpk= 2016, nxpk= 25, iat= 967,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 964, 965,
 &end
#
#   62 GLY  HN           61 PRO  HB+         4.50    (#   2017:25  Unique         3.58, 3.96 A)
 &rst
  ixpk= 2017, nxpk= 25, iat= 971,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 964, 965,
 &end
#
#   61 PRO  HD-          61 PRO  HG-         3.50    (#   2019:25  Unique         2.33, 2.61 A)
 &rst
  ixpk= 2019, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 958, 959,
 igr2= 961, 962,
 &end
#
#   61 PRO  HA           61 PRO  HG-         4.50    (#   2021:25  Unique         2.81, 3.60 A)
 &rst
  ixpk= 2021, nxpk= 25, iat= 967,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 961, 962,
 &end
#
#   60 ALA  HA           61 PRO  HG-         5.50    (#   2022:25  Unique         4.38, 4.66 A)
 &rst
  ixpk= 2022, nxpk= 25, iat= 949,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 961, 962,
 &end
#
#   60 ALA  HN           61 PRO  HD+         4.50    (#   2023:25  Unique         4.57, 4.85 A)
 &rst
  ixpk= 2023, nxpk= 25, iat= 947,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 958, 959,
 &end
#
#   60 ALA  HN           61 PRO  HD+         5.50    (#   2024:25  Unique         4.57, 4.85 A)
 &rst
  ixpk= 2024, nxpk= 25, iat= 947,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 958, 959,
 &end
#
#   60 ALA  HN           61 PRO  HD+         5.50    (#   2025:25  Unique         4.57, 4.85 A)
 &rst
  ixpk= 2025, nxpk= 25, iat= 947,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 958, 959,
 &end
#
#   60 ALA  HA           61 PRO  HD+         2.80    (#   2026:25  Unique         2.21, 2.60 A)
 &rst
  ixpk= 2026, nxpk= 25, iat= 949,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 958, 959,
 &end
#
#   61 PRO  HA           61 PRO  HD+         3.50    (#   2027:25  Unique         3.33, 3.74 A)
 &rst
  ixpk= 2027, nxpk= 25, iat= 967,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 958, 959,
 &end
#
#    0 AMB  25-2:2029     0 AMB  25-1:2029   2.80    (#   2029:25  Double Ambig)
 &rst
  ixpk= 2029, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 961, 962, 964, 965,
 igr2= 958, 959, 958, 959,
 &end
#
#    0 AMB  25-2:2030     0 AMB  25-1:2030   2.80    (#   2030:25  Double Ambig)
 &rst
  ixpk= 2030, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 961, 962, 964, 965,
 igr2= 958, 959, 958, 959,
 &end
#
#   60 ALA  MB           61 PRO  HD+         3.50    (#   2031:25  Unique         2.14, 3.73 A)
 &rst
  ixpk= 2031, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 951, 952, 953,
 igr2= 958, 959,
 &end
#
#    0 AMB  25-2:2032     0 AMB  25-1:2032   4.50    (#   2032:25  Double Ambig)
 &rst
  ixpk= 2032, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.82, r4=10.57,
 igr1= 984, 985, 986, 988, 989, 990,1942,1943,1944,1946,
      1947,1948,1942,1943,1944,1946,1947,1948,
 igr2= 958, 959, 958, 959, 958, 959,
 &end
#
#    0 AMB  25-2:2033    61 PRO  HD-         4.50    (#   2033:25  Single Ambig)
 &rst
  ixpk= 2033, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1= 984, 985, 986, 988, 989, 990,1942,1943,1944,1946,
      1947,1948,1942,1943,1944,1946,1947,1948,
 igr2= 958, 959,
 &end
#
#   60 ALA  MB           61 PRO  HD-         2.80    (#   2034:25  Unique         2.14, 3.73 A)
 &rst
  ixpk= 2034, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 951, 952, 953,
 igr2= 958, 959,
 &end
#
#    0 AMB  25-2:2035    61 PRO  HD-         2.80    (#   2035:25  Single Ambig)
 &rst
  ixpk= 2035, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 961, 962, 964, 965,
 igr2= 958, 959,
 &end
#
#    0 AMB  25-2:2036    61 PRO  HD-         2.80    (#   2036:25  Single Ambig)
 &rst
  ixpk= 2036, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 961, 962, 964, 965,
 igr2= 958, 959,
 &end
#
#   61 PRO  HA           61 PRO  HD-         4.50    (#   2038:25  Unique         3.33, 3.74 A)
 &rst
  ixpk= 2038, nxpk= 25, iat= 967,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 958, 959,
 &end
#
#   60 ALA  HA           61 PRO  HD-         3.50    (#   2039:25  Unique         2.21, 2.60 A)
 &rst
  ixpk= 2039, nxpk= 25, iat= 949,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 958, 959,
 &end
#
#   60 ALA  HN           61 PRO  HD-         5.50    (#   2040:25  Unique         4.57, 4.85 A)
 &rst
  ixpk= 2040, nxpk= 25, iat= 947,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 958, 959,
 &end
#
#   62 GLY  HN           62 GLY  HA+         2.80    (#   2041:25  Unique         2.27, 2.64 A)
 &rst
  ixpk= 2041, nxpk= 25, iat= 971,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 973, 974,
 &end
#
#   63 VAL  HN           62 GLY  HA+         3.50    (#   2042:25  Unique         3.29, 3.39 A)
 &rst
  ixpk= 2042, nxpk= 25, iat= 978,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 973, 974,
 &end
#
#   98 LYS  HN           62 GLY  HA+         3.50    (#   2043:25  Unique         2.74, 3.33 A)
 &rst
  ixpk= 2043, nxpk= 25, iat=1495,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 973, 974,
 &end
#
#    0 AMB  25-2:2044     0 AMB  25-1:2044   4.50    (#   2044:25  Double Ambig)
 &rst
  ixpk= 2044, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1517,1447,
 igr2= 973, 974, 973, 974,
 &end
#
#   97 ILE  HA           62 GLY  HA+         2.80    (#   2045:25  Unique         2.14, 2.97 A)
 &rst
  ixpk= 2045, nxpk= 25, iat=1478,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 973, 974,
 &end
#
#   95 GLU  HG+          62 GLY  HA+         4.50    (#   2046:25  Unique         2.70, 3.81 A)
 &rst
  ixpk= 2046, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1454,1455,
 igr2= 973, 974,
 &end
#
#    0 AMB  25-2:2047     0 AMB  25-1:2047   4.50    (#   2047:25  Double Ambig)
 &rst
  ixpk= 2047, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1=1451,1452,1451,1452,1499,1500,
 igr2= 973, 974, 973, 974, 973, 974,
 &end
#
#    0 AMB  25-2:2048     0 AMB  25-1:2048   4.50    (#   2048:25  Double Ambig)
 &rst
  ixpk= 2048, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.80, r4= 9.55,
 igr1= 964, 965,1521,1522, 982, 961, 962,
 igr2= 973, 974, 973, 974, 973, 974, 973, 974,
 &end
#
#    0 AMB  25-2:2050     0 AMB  25-1:2050   4.50    (#   2050:25  Double Ambig)
 &rst
  ixpk= 2050, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1=1499,1500,1466,1467,
 igr2= 973, 974, 973, 974,
 &end
#
#   98 LYS  HG+          62 GLY  HA+         5.50    (#   2051:25  Unique         3.36, 5.12 A)
 &rst
  ixpk= 2051, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1502,1503,
 igr2= 973, 974,
 &end
#
#    0 AMB  25-2:2052     0 AMB  25-1:2052   5.50    (#   2052:25  Double Ambig)
 &rst
  ixpk= 2052, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1=1502,1503,1521,1522,
 igr2= 973, 974, 973, 974,
 &end
#
#    0 AMB  25-2:2053     0 AMB  25-1:2053   3.50    (#   2053:25  Double Ambig)
 &rst
  ixpk= 2053, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
 igr1=2012,2013,2014,2016,2017,2018,2012,2013,2014,2016,
      2017,2018,
 igr2= 973, 974, 973, 974,
 &end
#
#   97 ILE  QD1          62 GLY  HA+         3.50    (#   2054:25  Unique         2.19, 3.97 A)
 &rst
  ixpk= 2054, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1489,1490,1491,
 igr2= 973, 974,
 &end
#
#    0 AMB  25-2:2055     0 AMB  25-1:2055   4.50    (#   2055:25  Double Ambig)
 &rst
  ixpk= 2055, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1486,1487, 915, 916, 917,
 igr2= 973, 974, 973, 974,
 &end
#
#   97 ILE  QG2          63 VAL  HA          3.50    (#   2056:25  Unique         2.75, 3.88 A)
 &rst
  ixpk= 2056, nxpk= 25, iat=  -1, 980, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1482,1483,1484,
 &end
#
#    0 AMB  25-2:2057    63 VAL  HA          2.80    (#   2057:25  Single Ambig)
 &rst
  ixpk= 2057, nxpk= 25, iat=  -1, 980, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 984, 985, 986, 988, 989, 990,1526,1527,1528,1530,
      1531,1532,
 &end
#
#    0 AMB  25-2:2058    63 VAL  HA          2.80    (#   2058:25  Single Ambig)
 &rst
  ixpk= 2058, nxpk= 25, iat=  -1, 980, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 984, 985, 986, 988, 989, 990,1526,1527,1528,1530,
      1531,1532,
 &end
#
#   99 LEU  HB-          63 VAL  HA          3.50    (#   2059:25  Unique         2.19, 3.27 A)
 &rst
  ixpk= 2059, nxpk= 25, iat=  -1, 980, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1521,1522,
 &end
#
#    0 AMB  25-2:2060    63 VAL  HA          2.80    (#   2060:25  Single Ambig)
 &rst
  ixpk= 2060, nxpk= 25, iat=  -1, 980, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1521,1522, 982,
 &end
#
#   99 LEU  HN           63 VAL  HA          3.50    (#   2063:25  Unique         2.86, 3.23 A)
 &rst
  ixpk= 2063, nxpk= 25, iat=1517, 980, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   64 ALA  HN           63 VAL  HA          2.80    (#   2065:25  Unique         2.07, 2.15 A)
 &rst
  ixpk= 2065, nxpk= 25, iat= 994, 980, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  25-2:2066    63 VAL  HB          4.50    (#   2066:25  Single Ambig)
 &rst
  ixpk= 2066, nxpk= 25, iat=  -1, 982, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 994, 971,
 &end
#
#   63 VAL  HN           63 VAL  HB          2.80    (#   2067:25  Unique         2.58, 2.66 A)
 &rst
  ixpk= 2067, nxpk= 25, iat= 978, 982, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   60 ALA  HN           63 VAL  HB          3.50    (#   2068:25  Unique         2.33, 2.53 A)
 &rst
  ixpk= 2068, nxpk= 25, iat= 947, 982, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   63 VAL  HA           63 VAL  HB          3.50    (#   2069:25  Unique         3.03, 3.04 A)
 &rst
  ixpk= 2069, nxpk= 25, iat= 980, 982, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   59 LEU  HB-          63 VAL  HB          4.50    (#   2073:25  Unique         2.42, 3.76 A)
 &rst
  ixpk= 2073, nxpk= 25, iat=  -1, 982, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 932, 933,
 &end
#
#   60 ALA  MB           63 VAL  HB          2.80    (#   2074:25  Unique         2.18, 3.32 A)
 &rst
  ixpk= 2074, nxpk= 25, iat=  -1, 982, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 951, 952, 953,
 &end
#
#    0 AMB  25-2:2075    63 VAL  HB          2.80    (#   2075:25  Single Ambig)
 &rst
  ixpk= 2075, nxpk= 25, iat=  -1, 982, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 984, 985, 986, 988, 989, 990,1942,1943,1944,1946,
      1947,1948,
 &end
#
#   64 ALA  HN           64 ALA  HA          3.50    (#   2080:25  Unique         2.97, 2.98 A)
 &rst
  ixpk= 2080, nxpk= 25, iat= 994, 996, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   65 MET  HN           64 ALA  HA          2.80    (#   2081:25  Unique         2.36, 2.42 A)
 &rst
  ixpk= 2081, nxpk= 25, iat=1004, 996, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   59 LEU  HN           64 ALA  HA          3.50    (#   2082:25  Unique         2.56, 3.05 A)
 &rst
  ixpk= 2082, nxpk= 25, iat= 928, 996, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   65 MET  HA           64 ALA  HA          5.50    (#   2083:25  Unique         4.49, 4.54 A)
 &rst
  ixpk= 2083, nxpk= 25, iat=1006, 996, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   58 ILE  HA           64 ALA  HA          2.80    (#   2085:25  Unique         1.98, 2.09 A)
 &rst
  ixpk= 2085, nxpk= 25, iat= 911, 996, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   57 TYR  HB+          64 ALA  HA          5.50    (#   2086:25  Unique         3.92, 5.46 A)
 &rst
  ixpk= 2086, nxpk= 25, iat=  -1, 996, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 892, 893,
 &end
#
#   66 PRO  HD+          64 ALA  HA          5.50    (#   2087:25  Unique         4.20, 5.36 A)
 &rst
  ixpk= 2087, nxpk= 25, iat=  -1, 996, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1022,1023,
 &end
#
#   65 MET  HB+          64 ALA  HA          5.50    (#   2088:25  Unique         4.20, 4.43 A)
 &rst
  ixpk= 2088, nxpk= 25, iat=  -1, 996, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1008,1009,
 &end
#
#   57 TYR  HB-          64 ALA  HA          5.50    (#   2089:25  Unique         3.92, 5.46 A)
 &rst
  ixpk= 2089, nxpk= 25, iat=  -1, 996, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 892, 893,
 &end
#
#    0 AMB  25-2:2090    64 ALA  HA          5.50    (#   2090:25  Single Ambig)
 &rst
  ixpk= 2090, nxpk= 25, iat=  -1, 996, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 982, 913,
 &end
#
#    0 AMB  25-2:2091    64 ALA  HA          4.50    (#   2091:25  Single Ambig)
 &rst
  ixpk= 2091, nxpk= 25, iat=  -1, 996, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1008,1009,1486,1487,
 &end
#
#   59 LEU  HB-          64 ALA  HA          5.50    (#   2092:25  Unique         3.30, 5.07 A)
 &rst
  ixpk= 2092, nxpk= 25, iat=  -1, 996, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 932, 933,
 &end
#
#   58 ILE  HG1-         64 ALA  HA          4.50    (#   2093:25  Unique         4.37, 5.10 A)
 &rst
  ixpk= 2093, nxpk= 25, iat=  -1, 996, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 919, 920,
 &end
#
#   64 ALA  MB           64 ALA  HA          2.80    (#   2094:25  Unique         2.36, 2.66 A)
 &rst
  ixpk= 2094, nxpk= 25, iat=  -1, 996, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 998, 999,1000,
 &end
#
#   59 LEU  MDX          64 ALA  HA          4.50    (#   2095:25  Unique         2.28, 4.68 A)
 &rst
  ixpk= 2095, nxpk= 25, iat=  -1, 996, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 937, 938, 939, 941, 942, 943,
 &end
#
#   59 LEU  MDY          64 ALA  HA          3.50    (#   2096:25  Unique         2.28, 4.68 A)
 &rst
  ixpk= 2096, nxpk= 25, iat=  -1, 996, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 937, 938, 939, 941, 942, 943,
 &end
#
#    0 AMB  25-2:2097    64 ALA  HA          4.50    (#   2097:25  Single Ambig)
 &rst
  ixpk= 2097, nxpk= 25, iat=  -1, 996, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1482,1483,1484,1489,1490,1491,
 &end
#
#   58 ILE  QD1          64 ALA  HA          4.50    (#   2098:25  Unique         2.53, 3.93 A)
 &rst
  ixpk= 2098, nxpk= 25, iat=  -1, 996, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 922, 923, 924,
 &end
#
#   58 ILE  QD1          64 ALA  MB          3.50    (#   2099:25  Unique         2.23, 3.83 A)
 &rst
  ixpk= 2099, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 922, 923, 924,
 igr2= 998, 999,1000,
 &end
#
#   97 ILE  QG2          64 ALA  MB          2.80    (#   2100:25  Unique         2.13, 3.52 A)
 &rst
  ixpk= 2100, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1=1482,1483,1484,
 igr2= 998, 999,1000,
 &end
#
#    0 AMB  25-2:2101     0 AMB  25-1:2101   2.80    (#   2101:25  Double Ambig)
 &rst
  ixpk= 2101, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.85, r4= 5.60,
 igr1=1499,1500,1543,
 igr2=1275,1276,1277,1279,1280,1281, 998, 999,1000,
 &end
#
#   98 LYS  HB+          83 LEU  MDY         2.80    (#   2103:25  Unique         2.29, 4.75 A)
 &rst
  ixpk= 2103, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1499,1500,
 igr2=1275,1276,1277,1279,1280,1281,
 &end
#
#   58 ILE  HA           64 ALA  MB          3.50    (#   2105:25  Unique         2.94, 3.97 A)
 &rst
  ixpk= 2105, nxpk= 25, iat= 911,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 998, 999,1000,
 &end
#
#    0 AMB  25-2:2106     0 AMB  25-1:2106   2.80    (#   2106:25  Double Ambig)
 &rst
  ixpk= 2106, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1268, 996,
 igr2=1275,1276,1277,1279,1280,1281, 998, 999,1000,
 &end
#
#    0 AMB  25-2:2108     0 AMB  25-1:2108   4.50    (#   2108:25  Double Ambig)
 &rst
  ixpk= 2108, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=1517, 928,
 igr2=1275,1276,1277,1279,1280,1281, 998, 999,1000,
 &end
#
#   65 MET  HN           64 ALA  MB          3.50    (#   2109:25  Unique         2.25, 3.21 A)
 &rst
  ixpk= 2109, nxpk= 25, iat=1004,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 998, 999,1000,
 &end
#
#   64 ALA  HN           64 ALA  MB          3.50    (#   2110:25  Unique         2.43, 3.16 A)
 &rst
  ixpk= 2110, nxpk= 25, iat= 994,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 998, 999,1000,
 &end
#
#  101 ILE  HN           65 MET  HA          3.50    (#   2111:25  Unique         2.06, 2.32 A)
 &rst
  ixpk= 2111, nxpk= 25, iat=1555,1006, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   65 MET  HN           65 MET  HA          4.50    (#   2112:25  Unique         2.89, 2.92 A)
 &rst
  ixpk= 2112, nxpk= 25, iat=1004,1006, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   57 TYR  HD           65 MET  HA          5.50    (#   2113:25  Unique         4.65, 6.51 A)
 &rst
  ixpk= 2113, nxpk= 25, iat=  -1,1006, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 896, 905,
 &end
#
#  100 LEU  HA           65 MET  HA          4.50    (#   2115:25  Unique         3.38, 3.71 A)
 &rst
  ixpk= 2115, nxpk= 25, iat=1538,1006, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:2116    65 MET  HA          4.50    (#   2116:25  Single Ambig)
 &rst
  ixpk= 2116, nxpk= 25, iat=  -1,1006, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1557, 996,
 &end
#
#  102 GLY  HA-          65 MET  HA          5.50    (#   2117:25  Unique         4.33, 5.18 A)
 &rst
  ixpk= 2117, nxpk= 25, iat=  -1,1006, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1576,1577,
 &end
#
#   57 TYR  HB+          65 MET  HA          5.50    (#   2118:25  Unique         4.36, 5.56 A)
 &rst
  ixpk= 2118, nxpk= 25, iat=  -1,1006, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 892, 893,
 &end
#
#   66 PRO  HD-          65 MET  HA          3.50    (#   2119:25  Unique         2.16, 2.51 A)
 &rst
  ixpk= 2119, nxpk= 25, iat=  -1,1006, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1022,1023,
 &end
#
#   66 PRO  HD+          65 MET  HA          3.50    (#   2120:25  Unique         2.16, 2.51 A)
 &rst
  ixpk= 2120, nxpk= 25, iat=  -1,1006, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1022,1023,
 &end
#
#    0 AMB  25-2:2121    65 MET  HA          2.80    (#   2121:25  Single Ambig)
 &rst
  ixpk= 2121, nxpk= 25, iat=  -1,1006, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1008,1009,1011,1012,
 &end
#
#   65 MET  HG-          65 MET  HA          4.50    (#   2122:25  Unique         2.44, 2.84 A)
 &rst
  ixpk= 2122, nxpk= 25, iat=  -1,1006, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1011,1012,
 &end
#
#    0 AMB  25-2:2123    65 MET  HA          4.50    (#   2123:25  Single Ambig)
 &rst
  ixpk= 2123, nxpk= 25, iat=  -1,1006, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1=1025,1026, 455, 456, 457,
 &end
#
#    0 AMB  25-2:2124    65 MET  HA          3.50    (#   2124:25  Single Ambig)
 &rst
  ixpk= 2124, nxpk= 25, iat=  -1,1006, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1559,1540,1541,
 &end
#
#   65 MET  HB-          65 MET  HA          3.50    (#   2125:25  Unique         2.34, 2.72 A)
 &rst
  ixpk= 2125, nxpk= 25, iat=  -1,1006, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1008,1009,
 &end
#
#  100 LEU  HB-          65 MET  HA          5.50    (#   2126:25  Unique         3.38, 4.65 A)
 &rst
  ixpk= 2126, nxpk= 25, iat=  -1,1006, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1540,1541,
 &end
#
#    0 AMB  25-2:2127    65 MET  HA          3.50    (#   2127:25  Single Ambig)
 &rst
  ixpk= 2127, nxpk= 25, iat=  -1,1006, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1561,1562,1563, 998, 999,1000,
 &end
#
#    0 AMB  25-2:2128    65 MET  HA          4.50    (#   2128:25  Single Ambig)
 &rst
  ixpk= 2128, nxpk= 25, iat=  -1,1006, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 937, 938, 939, 941, 942, 943,1568,1569,1570,
 &end
#
#    0 AMB  25-2:2129    65 MET  HA          3.50    (#   2129:25  Single Ambig)
 &rst
  ixpk= 2129, nxpk= 25, iat=  -1,1006, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 937, 938, 939, 941, 942, 943,1545,1546,1547,1549,
      1550,1551,
 &end
#
#    0 AMB  25-2:2130     0 AMB  25-1:2130   2.80    (#   2130:25  Double Ambig)
 &rst
  ixpk= 2130, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 937, 938, 939, 941, 942, 943,1927,1928,1929,
 igr2=1008,1009,1876,1877,
 &end
#
#   59 LEU  MDY          65 MET  HB+         2.80    (#   2131:25  Unique         2.08, 3.97 A)
 &rst
  ixpk= 2131, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 937, 938, 939, 941, 942, 943,
 igr2=1008,1009,
 &end
#
#  124 GLU  HA          124 GLU  HG+         3.50    (#   2135:25  Unique         2.54, 3.30 A)
 &rst
  ixpk= 2135, nxpk= 25, iat=1871,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1876,1877,
 &end
#
#   65 MET  HA           65 MET  HB+         4.50    (#   2136:25  Unique         2.34, 2.72 A)
 &rst
  ixpk= 2136, nxpk= 25, iat=1006,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1008,1009,
 &end
#
#    0 AMB  25-2:2137     0 AMB  25-1:2137   3.50    (#   2137:25  Double Ambig)
 &rst
  ixpk= 2137, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1914,1869,
 igr2=1876,1877,1876,1877,
 &end
#
#   65 MET  HN           65 MET  HB-         4.50    (#   2138:25  Unique         2.78, 3.13 A)
 &rst
  ixpk= 2138, nxpk= 25, iat=1004,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1008,1009,
 &end
#
#   71 GLU  HN           71 GLU  HG+         4.50    (#   2140:25  Unique         1.99, 2.79 A)
 &rst
  ixpk= 2140, nxpk= 25, iat=1100,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1107,1108,
 &end
#
#   65 MET  HA           65 MET  HB-         3.50    (#   2141:25  Unique         2.34, 2.72 A)
 &rst
  ixpk= 2141, nxpk= 25, iat=1006,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1008,1009,
 &end
#
#  118 LEU  MDX          65 MET  HG+         3.50    (#   2143:25  Unique         2.20, 4.57 A)
 &rst
  ixpk= 2143, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1784,1785,1786,1788,1789,1790,
 igr2=1011,1012,
 &end
#
#  101 ILE  QG2          65 MET  HG+         4.50    (#   2145:25  Unique         2.20, 4.16 A)
 &rst
  ixpk= 2145, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1561,1562,1563,
 igr2=1011,1012,
 &end
#
#  101 ILE  QG2          65 MET  HG-         4.50    (#   2146:25  Unique         2.20, 4.16 A)
 &rst
  ixpk= 2146, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1561,1562,1563,
 igr2=1011,1012,
 &end
#
#  103 LEU  HB+          65 MET  HG+         4.50    (#   2147:25  Unique         3.74, 4.37 A)
 &rst
  ixpk= 2147, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1585,1586,
 igr2=1011,1012,
 &end
#
#   65 MET  HB-          65 MET  HG+         2.80    (#   2148:25  Unique         2.20, 2.74 A)
 &rst
  ixpk= 2148, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1008,1009,
 igr2=1011,1012,
 &end
#
#   65 MET  HB-          65 MET  HG-         2.80    (#   2149:25  Unique         2.20, 2.74 A)
 &rst
  ixpk= 2149, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1008,1009,
 igr2=1011,1012,
 &end
#
#   65 MET  ME           65 MET  HG+         3.50    (#   2150:25  Unique         2.58, 3.78 A)
 &rst
  ixpk= 2150, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1015,1016,1017,
 igr2=1011,1012,
 &end
#
#  101 ILE  HB           65 MET  HG+         2.80    (#   2151:25  Unique         2.46, 3.57 A)
 &rst
  ixpk= 2151, nxpk= 25, iat=1559,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1011,1012,
 &end
#
#   65 MET  HN           65 MET  HG+         5.50    (#   2152:25  Unique         4.45, 4.75 A)
 &rst
  ixpk= 2152, nxpk= 25, iat=1004,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1011,1012,
 &end
#
#   65 MET  HN           65 MET  HG-         5.50    (#   2153:25  Unique         4.45, 4.75 A)
 &rst
  ixpk= 2153, nxpk= 25, iat=1004,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1011,1012,
 &end
#
#   46 ILE  QD1          66 PRO  HA          5.50    (#   2154:25  Unique         4.27, 5.73 A)
 &rst
  ixpk= 2154, nxpk= 25, iat=  -1,1031, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 734, 735, 736,
 &end
#
#   46 ILE  QG2          66 PRO  HA          4.50    (#   2155:25  Unique         3.01, 4.25 A)
 &rst
  ixpk= 2155, nxpk= 25, iat=  -1,1031, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 727, 728, 729,
 &end
#
#   64 ALA  MB           66 PRO  HA          5.50    (#   2157:25  Unique         4.10, 5.38 A)
 &rst
  ixpk= 2157, nxpk= 25, iat=  -1,1031, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 998, 999,1000,
 &end
#
#   25 ILE  QD1          66 PRO  HA          5.50    (#   2158:25  Unique         4.50, 6.16 A)
 &rst
  ixpk= 2158, nxpk= 25, iat=  -1,1031, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 395, 396, 397,
 &end
#
#   66 PRO  HB-          66 PRO  HA          2.80    (#   2159:25  Unique         2.27, 2.67 A)
 &rst
  ixpk= 2159, nxpk= 25, iat=  -1,1031, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1028,1029,
 &end
#
#   66 PRO  HB+          66 PRO  HA          3.50    (#   2160:25  Unique         2.27, 2.67 A)
 &rst
  ixpk= 2160, nxpk= 25, iat=  -1,1031, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1028,1029,
 &end
#
#   66 PRO  HG+          66 PRO  HA          4.50    (#   2161:25  Unique         2.87, 3.53 A)
 &rst
  ixpk= 2161, nxpk= 25, iat=  -1,1031, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1025,1026,
 &end
#
#   66 PRO  HD+          66 PRO  HA          5.50    (#   2162:25  Unique         3.26, 3.74 A)
 &rst
  ixpk= 2162, nxpk= 25, iat=  -1,1031, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1022,1023,
 &end
#
#   66 PRO  HD-          66 PRO  HA          5.50    (#   2163:25  Unique         3.26, 3.74 A)
 &rst
  ixpk= 2163, nxpk= 25, iat=  -1,1031, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1022,1023,
 &end
#
#   57 TYR  HA           66 PRO  HA          5.50    (#   2165:25  Unique         5.20, 5.57 A)
 &rst
  ixpk= 2165, nxpk= 25, iat= 890,1031, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   65 MET  HA           66 PRO  HA          5.50    (#   2166:25  Unique         4.55, 4.62 A)
 &rst
  ixpk= 2166, nxpk= 25, iat=1006,1031, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   67 HIS  HN           66 PRO  HB+         5.50    (#   2168:25  Unique         1.79, 2.93 A)
 &rst
  ixpk= 2168, nxpk= 25, iat=1035,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1028,1029,
 &end
#
#   67 HIS  HN           66 PRO  HB-         4.50    (#   2169:25  Unique         1.79, 2.93 A)
 &rst
  ixpk= 2169, nxpk= 25, iat=1035,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1028,1029,
 &end
#
#    0 AMB  25-2:2170     0 AMB  25-1:2170   4.50    (#   2170:25  Double Ambig)
 &rst
  ixpk= 2170, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1=1022,1023,1576,1577,
 igr2=1028,1029,1028,1029,
 &end
#
#    0 AMB  25-2:2171    66 PRO  HB-         4.50    (#   2171:25  Single Ambig)
 &rst
  ixpk= 2171, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1022,1023,1576,1577,
 igr2=1028,1029,
 &end
#
#   66 PRO  HD+          66 PRO  HB-         5.50    (#   2172:25  Unique         2.80, 3.70 A)
 &rst
  ixpk= 2172, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1022,1023,
 igr2=1028,1029,
 &end
#
#   66 PRO  HD+          66 PRO  HB+         4.50    (#   2173:25  Unique         2.80, 3.70 A)
 &rst
  ixpk= 2173, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1022,1023,
 igr2=1028,1029,
 &end
#
#   66 PRO  HA           66 PRO  HB+         3.50    (#   2174:25  Unique         2.27, 2.67 A)
 &rst
  ixpk= 2174, nxpk= 25, iat=1031,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1028,1029,
 &end
#
#   66 PRO  HA           66 PRO  HB-         3.50    (#   2175:25  Unique         2.27, 2.67 A)
 &rst
  ixpk= 2175, nxpk= 25, iat=1031,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1028,1029,
 &end
#
#    0 AMB  25-2:2177    66 PRO  HB-         2.80    (#   2177:25  Single Ambig)
 &rst
  ixpk= 2177, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.11, r4= 4.86,
 igr1=1025,1026, 455, 456, 457,
 igr2=1028,1029,
 &end
#
#   25 ILE  QD1          66 PRO  HB-         3.50    (#   2179:25  Unique         2.47, 4.68 A)
 &rst
  ixpk= 2179, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 395, 396, 397,
 igr2=1028,1029,
 &end
#
#   25 ILE  QD1          66 PRO  HB+         4.50    (#   2180:25  Unique         2.47, 4.68 A)
 &rst
  ixpk= 2180, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 395, 396, 397,
 igr2=1028,1029,
 &end
#
#   46 ILE  QG2          66 PRO  HB+         3.50    (#   2182:25  Unique         2.13, 3.10 A)
 &rst
  ixpk= 2182, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 727, 728, 729,
 igr2=1028,1029,
 &end
#
#   46 ILE  QG2          66 PRO  HB-         3.50    (#   2183:25  Unique         2.13, 3.10 A)
 &rst
  ixpk= 2183, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 727, 728, 729,
 igr2=1028,1029,
 &end
#
#   46 ILE  QD1          66 PRO  HB+         4.50    (#   2184:25  Unique         2.25, 4.08 A)
 &rst
  ixpk= 2184, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 734, 735, 736,
 igr2=1028,1029,
 &end
#
#   46 ILE  QD1          66 PRO  HB-         4.50    (#   2185:25  Unique         2.25, 4.08 A)
 &rst
  ixpk= 2185, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 734, 735, 736,
 igr2=1028,1029,
 &end
#
#  100 LEU  MDY          66 PRO  HG+         3.50    (#   2186:25  Unique         2.25, 4.67 A)
 &rst
  ixpk= 2186, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1545,1546,1547,1549,1550,1551,
 igr2=1025,1026,
 &end
#
#   25 ILE  QD1          66 PRO  HG+         4.50    (#   2187:25  Unique         3.95, 5.56 A)
 &rst
  ixpk= 2187, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 395, 396, 397,
 igr2=1025,1026,
 &end
#
#   66 PRO  HA           66 PRO  HG-         4.50    (#   2189:25  Unique         2.87, 3.53 A)
 &rst
  ixpk= 2189, nxpk= 25, iat=1031,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1025,1026,
 &end
#
#   66 PRO  HD+          66 PRO  HG+         3.50    (#   2190:25  Unique         2.24, 2.59 A)
 &rst
  ixpk= 2190, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1022,1023,
 igr2=1025,1026,
 &end
#
#   66 PRO  HD+          66 PRO  HG-         3.50    (#   2191:25  Unique         2.24, 2.59 A)
 &rst
  ixpk= 2191, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1022,1023,
 igr2=1025,1026,
 &end
#
#   66 PRO  HD-          66 PRO  HG-         4.50    (#   2192:25  Unique         2.24, 2.59 A)
 &rst
  ixpk= 2192, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1022,1023,
 igr2=1025,1026,
 &end
#
#   66 PRO  HD-          66 PRO  HG+         3.50    (#   2193:25  Unique         2.24, 2.59 A)
 &rst
  ixpk= 2193, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1022,1023,
 igr2=1025,1026,
 &end
#
#   65 MET  HA           66 PRO  HG+         5.50    (#   2195:25  Unique         4.37, 4.62 A)
 &rst
  ixpk= 2195, nxpk= 25, iat=1006,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1025,1026,
 &end
#
#   65 MET  HA           66 PRO  HG-         5.50    (#   2196:25  Unique         4.37, 4.62 A)
 &rst
  ixpk= 2196, nxpk= 25, iat=1006,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1025,1026,
 &end
#
#   67 HIS  HN           66 PRO  HG-         5.50    (#   2197:25  Unique         1.94, 4.11 A)
 &rst
  ixpk= 2197, nxpk= 25, iat=1035,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1025,1026,
 &end
#
#   67 HIS  HN           66 PRO  HG+         5.50    (#   2198:25  Unique         1.94, 4.11 A)
 &rst
  ixpk= 2198, nxpk= 25, iat=1035,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1025,1026,
 &end
#
#  101 ILE  HN           66 PRO  HD-         4.50    (#   2199:25  Unique         2.62, 3.38 A)
 &rst
  ixpk= 2199, nxpk= 25, iat=1555,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1022,1023,
 &end
#
#  101 ILE  HN           66 PRO  HD+         4.50    (#   2200:25  Unique         2.62, 3.38 A)
 &rst
  ixpk= 2200, nxpk= 25, iat=1555,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1022,1023,
 &end
#
#   65 MET  HN           66 PRO  HD-         5.50    (#   2202:25  Unique         2.85, 3.73 A)
 &rst
  ixpk= 2202, nxpk= 25, iat=1004,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1022,1023,
 &end
#
#   65 MET  HN           66 PRO  HD+         4.50    (#   2203:25  Unique         2.85, 3.73 A)
 &rst
  ixpk= 2203, nxpk= 25, iat=1004,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1022,1023,
 &end
#
#  103 LEU  HN           66 PRO  HD-         5.50    (#   2205:25  Unique         4.50, 6.12 A)
 &rst
  ixpk= 2205, nxpk= 25, iat=1581,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1022,1023,
 &end
#
#   67 HIS  HN           66 PRO  HD-         5.50    (#   2206:25  Unique         2.77, 3.71 A)
 &rst
  ixpk= 2206, nxpk= 25, iat=1035,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1022,1023,
 &end
#
#   67 HIS  HN           66 PRO  HD+         5.50    (#   2207:25  Unique         2.77, 3.71 A)
 &rst
  ixpk= 2207, nxpk= 25, iat=1035,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1022,1023,
 &end
#
#   65 MET  HA           66 PRO  HD-         3.50    (#   2208:25  Unique         2.16, 2.51 A)
 &rst
  ixpk= 2208, nxpk= 25, iat=1006,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1022,1023,
 &end
#
#   65 MET  HA           66 PRO  HD+         3.50    (#   2209:25  Unique         2.16, 2.51 A)
 &rst
  ixpk= 2209, nxpk= 25, iat=1006,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1022,1023,
 &end
#
#    0 AMB  25-2:2210    66 PRO  HD-         5.50    (#   2210:25  Single Ambig)
 &rst
  ixpk= 2210, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1557, 996,
 igr2=1022,1023,
 &end
#
#  100 LEU  HA           66 PRO  HD+         4.50    (#   2211:25  Unique         2.89, 3.79 A)
 &rst
  ixpk= 2211, nxpk= 25, iat=1538,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1022,1023,
 &end
#
#    0 AMB  25-2:2212     0 AMB  25-1:2212   5.50    (#   2212:25  Double Ambig)
 &rst
  ixpk= 2212, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1557, 996,
 igr2=1022,1023,1022,1023,
 &end
#
#  100 LEU  HA           66 PRO  HD-         4.50    (#   2213:25  Unique         2.89, 3.79 A)
 &rst
  ixpk= 2213, nxpk= 25, iat=1538,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1022,1023,
 &end
#
#   66 PRO  HA           66 PRO  HD+         5.50    (#   2218:25  Unique         3.26, 3.74 A)
 &rst
  ixpk= 2218, nxpk= 25, iat=1031,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1022,1023,
 &end
#
#    0 AMB  25-2:2219     0 AMB  25-1:2219   5.50    (#   2219:25  Double Ambig)
 &rst
  ixpk= 2219, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1=1011,1012,1008,1009,
 igr2=1022,1023,1022,1023,
 &end
#
#   66 PRO  HG+          66 PRO  HD+         3.50    (#   2220:25  Unique         2.24, 2.59 A)
 &rst
  ixpk= 2220, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1025,1026,
 igr2=1022,1023,
 &end
#
#    0 AMB  25-2:2221     0 AMB  25-1:2221   4.50    (#   2221:25  Double Ambig)
 &rst
  ixpk= 2221, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1=1540,1541,1028,1029,
 igr2=1022,1023,1022,1023,
 &end
#
#   66 PRO  HG-          66 PRO  HD+         3.50    (#   2222:25  Unique         2.24, 2.59 A)
 &rst
  ixpk= 2222, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1025,1026,
 igr2=1022,1023,
 &end
#
#  100 LEU  HB-          66 PRO  HD+         5.50    (#   2223:25  Unique         2.26, 3.50 A)
 &rst
  ixpk= 2223, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1540,1541,
 igr2=1022,1023,
 &end
#
#   64 ALA  MB           66 PRO  HD+         3.50    (#   2224:25  Unique         2.53, 4.41 A)
 &rst
  ixpk= 2224, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 998, 999,1000,
 igr2=1022,1023,
 &end
#
#  100 LEU  MDY          66 PRO  HD+         3.50    (#   2225:25  Unique         2.16, 5.22 A)
 &rst
  ixpk= 2225, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1545,1546,1547,1549,1550,1551,
 igr2=1022,1023,
 &end
#
#   66 PRO  HG+          66 PRO  HD-         3.50    (#   2226:25  Unique         2.24, 2.59 A)
 &rst
  ixpk= 2226, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1025,1026,
 igr2=1022,1023,
 &end
#
#   68 ALA  HN           67 HIS  HB+         4.50    (#   2235:25  Unique         2.36, 3.71 A)
 &rst
  ixpk= 2235, nxpk= 25, iat=1052,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1039,1040,
 &end
#
#   68 ALA  HN           67 HIS  HB-         3.50    (#   2236:25  Unique         2.36, 3.71 A)
 &rst
  ixpk= 2236, nxpk= 25, iat=1052,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1039,1040,
 &end
#
#  103 LEU  HN           67 HIS  HB+         5.50    (#   2237:25  Unique         2.01, 2.91 A)
 &rst
  ixpk= 2237, nxpk= 25, iat=1581,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1039,1040,
 &end
#
#  103 LEU  HN           67 HIS  HB-         5.50    (#   2238:25  Unique         2.01, 2.91 A)
 &rst
  ixpk= 2238, nxpk= 25, iat=1581,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1039,1040,
 &end
#
#  103 LEU  HB-          67 HIS  HB+         4.50    (#   2247:25  Unique         2.32, 3.49 A)
 &rst
  ixpk= 2247, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1585,1586,
 igr2=1039,1040,
 &end
#
#  103 LEU  HB-          67 HIS  HB-         4.50    (#   2248:25  Unique         2.32, 3.49 A)
 &rst
  ixpk= 2248, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1585,1586,
 igr2=1039,1040,
 &end
#
#  103 LEU  HB+          67 HIS  HB+         4.50    (#   2250:25  Unique         2.32, 3.49 A)
 &rst
  ixpk= 2250, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1585,1586,
 igr2=1039,1040,
 &end
#
#  103 LEU  HG           67 HIS  HB-         5.50    (#   2251:25  Unique         5.33, 5.87 A)
 &rst
  ixpk= 2251, nxpk= 25, iat=1588,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1039,1040,
 &end
#
#  103 LEU  MDY          67 HIS  HB+         5.50    (#   2252:25  Unique         3.95, 5.50 A)
 &rst
  ixpk= 2252, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1590,1591,1592,1594,1595,1596,
 igr2=1039,1040,
 &end
#
#    0 AMB  25-2:2253     0 AMB  25-1:2253   4.50    (#   2253:25  Double Ambig)
 &rst
  ixpk= 2253, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1=1590,1591,1592,1594,1595,1596,1742,1743,1744,
 igr2=1039,1040,1039,1040,
 &end
#
#    0 AMB  25-2:2254    67 HIS  HB-         4.50    (#   2254:25  Single Ambig)
 &rst
  ixpk= 2254, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=1590,1591,1592,1594,1595,1596,1742,1743,1744,
 igr2=1039,1040,
 &end
#
#   68 ALA  MB           68 ALA  HA          2.80    (#   2255:25  Unique         2.34, 2.64 A)
 &rst
  ixpk= 2255, nxpk= 25, iat=  -1,1054, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1056,1057,1058,
 &end
#
#   69 ARG  HB+          68 ALA  HA          4.50    (#   2256:25  Unique         4.69, 5.32 A)
 &rst
  ixpk= 2256, nxpk= 25, iat=  -1,1054, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1066,1067,
 &end
#
#   69 ARG  HN           68 ALA  HA          2.80    (#   2258:25  Unique         2.33, 2.42 A)
 &rst
  ixpk= 2258, nxpk= 25, iat=1062,1054, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   68 ALA  HN           68 ALA  HA          3.50    (#   2259:25  Unique         2.90, 2.96 A)
 &rst
  ixpk= 2259, nxpk= 25, iat=1052,1054, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   68 ALA  HN           68 ALA  MB          3.50    (#   2260:25  Unique         2.36, 3.27 A)
 &rst
  ixpk= 2260, nxpk= 25, iat=1052,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1056,1057,1058,
 &end
#
#   83 LEU  HN           82 THR  MG2         2.80    (#   2261:25  Unique         2.52, 3.38 A)
 &rst
  ixpk= 2261, nxpk= 25, iat=1266,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1258,1259,1260,
 &end
#
#   69 ARG  HN           68 ALA  MB          2.80    (#   2262:25  Unique         2.26, 3.34 A)
 &rst
  ixpk= 2262, nxpk= 25, iat=1062,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1056,1057,1058,
 &end
#
#   46 ILE  HN           68 ALA  MB          4.50    (#   2263:25  Unique         3.64, 4.57 A)
 &rst
  ixpk= 2263, nxpk= 25, iat= 721,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1056,1057,1058,
 &end
#
#   67 HIS  HD2          68 ALA  MB          5.50    (#   2265:25  Unique         5.22, 6.05 A)
 &rst
  ixpk= 2265, nxpk= 25, iat=1048,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1056,1057,1058,
 &end
#
#   67 HIS  HN           68 ALA  MB          5.50    (#   2267:25  Unique         5.86, 6.66 A)
 &rst
  ixpk= 2267, nxpk= 25, iat=1035,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1056,1057,1058,
 &end
#
#    0 AMB  25-2:2268    82 THR  MG2         4.50    (#   2268:25  Single Ambig)
 &rst
  ixpk= 2268, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 211, 200,
 igr2=1258,1259,1260,
 &end
#
#   68 ALA  HA           68 ALA  MB          2.80    (#   2270:25  Unique         2.34, 2.64 A)
 &rst
  ixpk= 2270, nxpk= 25, iat=1054,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1056,1057,1058,
 &end
#
#   13 SER  HB-          82 THR  MG2         4.50    (#   2271:25  Unique         3.15, 5.49 A)
 &rst
  ixpk= 2271, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 202, 203,
 igr2=1258,1259,1260,
 &end
#
#   27 PHE  HB-          82 THR  MG2         3.50    (#   2272:25  Unique         2.58, 4.50 A)
 &rst
  ixpk= 2272, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 417, 418,
 igr2=1258,1259,1260,
 &end
#
#   46 ILE  HG1-         68 ALA  MB          2.80    (#   2274:25  Unique         2.17, 3.32 A)
 &rst
  ixpk= 2274, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 731, 732,
 igr2=1056,1057,1058,
 &end
#
#   15 ILE  HB           82 THR  MG2         3.50    (#   2275:25  Unique         3.71, 4.35 A)
 &rst
  ixpk= 2275, nxpk= 25, iat= 229,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1258,1259,1260,
 &end
#
#   45 ALA  MB           68 ALA  MB          2.80    (#   2276:25  Unique         2.84, 3.99 A)
 &rst
  ixpk= 2276, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 715, 716, 717,
 igr2=1056,1057,1058,
 &end
#
#   74 ALA  MB           70 PRO  HA          2.80    (#   2277:25  Unique         2.22, 2.74 A)
 &rst
  ixpk= 2277, nxpk= 25, iat=  -1,1096, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1137,1138,1139,
 &end
#
#   70 PRO  HB-          70 PRO  HA          3.50    (#   2278:25  Unique         2.41, 2.75 A)
 &rst
  ixpk= 2278, nxpk= 25, iat=  -1,1096, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1093,1094,
 &end
#
#   70 PRO  HG+          70 PRO  HA          4.50    (#   2279:25  Unique         2.74, 3.32 A)
 &rst
  ixpk= 2279, nxpk= 25, iat=  -1,1096, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1090,1091,
 &end
#
#   70 PRO  HB+          70 PRO  HA          2.80    (#   2280:25  Unique         2.41, 2.75 A)
 &rst
  ixpk= 2280, nxpk= 25, iat=  -1,1096, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1093,1094,
 &end
#
#  106 ALA  HA           70 PRO  HA          4.50    (#   2282:25  Unique         4.52, 4.53 A)
 &rst
  ixpk= 2282, nxpk= 25, iat=1623,1096, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   67 HIS  HD2          70 PRO  HA          5.50    (#   2285:25  Unique         5.62, 5.66 A)
 &rst
  ixpk= 2285, nxpk= 25, iat=1048,1096, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  25-2:2287    70 PRO  HA          5.50    (#   2287:25  Single Ambig)
 &rst
  ixpk= 2287, nxpk= 25, iat=  -1,1096, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1126,1621,
 &end
#
#   74 ALA  HN           70 PRO  HA          4.50    (#   2288:25  Unique         3.27, 3.36 A)
 &rst
  ixpk= 2288, nxpk= 25, iat=1133,1096, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   72 CYS  HN           70 PRO  HA          4.50    (#   2289:25  Unique         3.82, 3.89 A)
 &rst
  ixpk= 2289, nxpk= 25, iat=1115,1096, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   71 GLU  HN           70 PRO  HA          5.50    (#   2290:25  Unique         3.53, 3.60 A)
 &rst
  ixpk= 2290, nxpk= 25, iat=1100,1096, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   71 GLU  HN           70 PRO  HB+         4.50    (#   2291:25  Unique         2.30, 3.10 A)
 &rst
  ixpk= 2291, nxpk= 25, iat=1100,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1093,1094,
 &end
#
#   71 GLU  HN           70 PRO  HB-         4.50    (#   2292:25  Unique         2.30, 3.10 A)
 &rst
  ixpk= 2292, nxpk= 25, iat=1100,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1093,1094,
 &end
#
#  107 ASP  HN           70 PRO  HB+         5.50    (#   2293:25  Unique         3.86, 4.66 A)
 &rst
  ixpk= 2293, nxpk= 25, iat=1631,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1093,1094,
 &end
#
#   70 PRO  HA           70 PRO  HB+         2.80    (#   2294:25  Unique         2.41, 2.75 A)
 &rst
  ixpk= 2294, nxpk= 25, iat=1096,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1093,1094,
 &end
#
#   70 PRO  HA           70 PRO  HB-         2.80    (#   2295:25  Unique         2.41, 2.75 A)
 &rst
  ixpk= 2295, nxpk= 25, iat=1096,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1093,1094,
 &end
#
#   70 PRO  HD-          70 PRO  HB-         3.50    (#   2296:25  Unique         2.80, 3.67 A)
 &rst
  ixpk= 2296, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1087,1088,
 igr2=1093,1094,
 &end
#
#   70 PRO  HD+          70 PRO  HB-         3.50    (#   2297:25  Unique         2.80, 3.67 A)
 &rst
  ixpk= 2297, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1087,1088,
 igr2=1093,1094,
 &end
#
#  106 ALA  HA           70 PRO  HB+         3.50    (#   2298:25  Unique         3.27, 4.27 A)
 &rst
  ixpk= 2298, nxpk= 25, iat=1623,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1093,1094,
 &end
#
#   70 PRO  HG+          70 PRO  HB+         2.80    (#   2302:25  Unique         2.37, 2.63 A)
 &rst
  ixpk= 2302, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1090,1091,
 igr2=1093,1094,
 &end
#
#  105 ALA  MB           70 PRO  HB+         5.50    (#   2303:25  Unique         4.08, 5.56 A)
 &rst
  ixpk= 2303, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1615,1616,1617,
 igr2=1093,1094,
 &end
#
#   74 ALA  MB           70 PRO  HB+         3.50    (#   2304:25  Unique         2.97, 4.60 A)
 &rst
  ixpk= 2304, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1137,1138,1139,
 igr2=1093,1094,
 &end
#
#   74 ALA  MB           70 PRO  HG+         4.50    (#   2305:25  Unique         4.24, 5.34 A)
 &rst
  ixpk= 2305, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1137,1138,1139,
 igr2=1090,1091,
 &end
#
#   70 PRO  HB+          70 PRO  HG+         2.80    (#   2306:25  Unique         2.37, 2.63 A)
 &rst
  ixpk= 2306, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1093,1094,
 igr2=1090,1091,
 &end
#
#   70 PRO  HB+          70 PRO  HG-         2.80    (#   2307:25  Unique         2.37, 2.63 A)
 &rst
  ixpk= 2307, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1093,1094,
 igr2=1090,1091,
 &end
#
#   70 PRO  HD+          70 PRO  HG+         2.80    (#   2309:25  Unique         2.31, 2.61 A)
 &rst
  ixpk= 2309, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1087,1088,
 igr2=1090,1091,
 &end
#
#   70 PRO  HD-          70 PRO  HG-         2.80    (#   2310:25  Unique         2.31, 2.61 A)
 &rst
  ixpk= 2310, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1087,1088,
 igr2=1090,1091,
 &end
#
#   70 PRO  HD+          70 PRO  HG-         2.80    (#   2311:25  Unique         2.31, 2.61 A)
 &rst
  ixpk= 2311, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1087,1088,
 igr2=1090,1091,
 &end
#
#   71 GLU  HA           71 GLU  HB+         2.80    (#   2312:25  Unique         2.37, 2.54 A)
 &rst
  ixpk= 2312, nxpk= 25, iat=1102,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1104,1105,
 &end
#
#   70 PRO  HA           70 PRO  HG-         4.50    (#   2314:25  Unique         2.74, 3.32 A)
 &rst
  ixpk= 2314, nxpk= 25, iat=1096,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1090,1091,
 &end
#
#   71 GLU  HN           71 GLU  HB+         3.50    (#   2315:25  Unique         2.28, 2.99 A)
 &rst
  ixpk= 2315, nxpk= 25, iat=1100,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1104,1105,
 &end
#
#   71 GLU  HN           70 PRO  HG-         4.50    (#   2316:25  Unique         4.10, 4.43 A)
 &rst
  ixpk= 2316, nxpk= 25, iat=1100,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1090,1091,
 &end
#
#   71 GLU  HN           70 PRO  HD+         5.50    (#   2317:25  Unique         2.90, 3.66 A)
 &rst
  ixpk= 2317, nxpk= 25, iat=1100,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1087,1088,
 &end
#
#   71 GLU  HN           70 PRO  HD-         4.50    (#   2318:25  Unique         2.90, 3.66 A)
 &rst
  ixpk= 2318, nxpk= 25, iat=1100,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1087,1088,
 &end
#
#   69 ARG  HN           70 PRO  HD+         5.50    (#   2319:25  Unique         4.88, 5.03 A)
 &rst
  ixpk= 2319, nxpk= 25, iat=1062,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1087,1088,
 &end
#
#   69 ARG  HN           70 PRO  HD-         5.50    (#   2320:25  Unique         4.88, 5.03 A)
 &rst
  ixpk= 2320, nxpk= 25, iat=1062,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1087,1088,
 &end
#
#   69 ARG  HA           70 PRO  HD+         2.80    (#   2321:25  Unique         2.12, 2.44 A)
 &rst
  ixpk= 2321, nxpk= 25, iat=1064,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1087,1088,
 &end
#
#   69 ARG  HA           70 PRO  HD-         2.80    (#   2322:25  Unique         2.12, 2.44 A)
 &rst
  ixpk= 2322, nxpk= 25, iat=1064,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1087,1088,
 &end
#
#   70 PRO  HB+          70 PRO  HD+         5.50    (#   2323:25  Unique         2.80, 3.67 A)
 &rst
  ixpk= 2323, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1093,1094,
 igr2=1087,1088,
 &end
#
#   70 PRO  HB+          70 PRO  HD-         4.50    (#   2324:25  Unique         2.80, 3.67 A)
 &rst
  ixpk= 2324, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1093,1094,
 igr2=1087,1088,
 &end
#
#   70 PRO  HG+          70 PRO  HD+         2.80    (#   2325:25  Unique         2.31, 2.61 A)
 &rst
  ixpk= 2325, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1090,1091,
 igr2=1087,1088,
 &end
#
#   70 PRO  HG-          70 PRO  HD+         2.80    (#   2326:25  Unique         2.31, 2.61 A)
 &rst
  ixpk= 2326, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1090,1091,
 igr2=1087,1088,
 &end
#
#   70 PRO  HG-          70 PRO  HD-         2.80    (#   2327:25  Unique         2.31, 2.61 A)
 &rst
  ixpk= 2327, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1090,1091,
 igr2=1087,1088,
 &end
#
#   70 PRO  HG+          70 PRO  HD-         2.80    (#   2328:25  Unique         2.31, 2.61 A)
 &rst
  ixpk= 2328, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1090,1091,
 igr2=1087,1088,
 &end
#
#   69 ARG  HB+          70 PRO  HD+         2.80    (#   2329:25  Unique         2.32, 3.72 A)
 &rst
  ixpk= 2329, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1066,1067,
 igr2=1087,1088,
 &end
#
#   69 ARG  HB+          70 PRO  HD-         2.80    (#   2330:25  Unique         2.32, 3.72 A)
 &rst
  ixpk= 2330, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1066,1067,
 igr2=1087,1088,
 &end
#
#   71 GLU  HB+          71 GLU  HA          2.80    (#   2331:25  Unique         2.37, 2.54 A)
 &rst
  ixpk= 2331, nxpk= 25, iat=  -1,1102, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1104,1105,
 &end
#
#   71 GLU  HG-          71 GLU  HA          3.50    (#   2332:25  Unique         2.48, 3.54 A)
 &rst
  ixpk= 2332, nxpk= 25, iat=  -1,1102, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1107,1108,
 &end
#
#   71 GLU  HG+          71 GLU  HA          3.50    (#   2333:25  Unique         2.48, 3.54 A)
 &rst
  ixpk= 2333, nxpk= 25, iat=  -1,1102, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1107,1108,
 &end
#
#   70 PRO  HB+          71 GLU  HA          5.50    (#   2334:25  Unique         3.88, 4.37 A)
 &rst
  ixpk= 2334, nxpk= 25, iat=  -1,1102, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1093,1094,
 &end
#
#   73 GLY  HN           71 GLU  HA          4.50    (#   2335:25  Unique         3.35, 3.51 A)
 &rst
  ixpk= 2335, nxpk= 25, iat=1126,1102, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   74 ALA  HN           71 GLU  HA          5.50    (#   2336:25  Unique         4.21, 4.47 A)
 &rst
  ixpk= 2336, nxpk= 25, iat=1133,1102, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   72 CYS  HN           71 GLU  HA          3.50    (#   2337:25  Unique         3.38, 3.43 A)
 &rst
  ixpk= 2337, nxpk= 25, iat=1115,1102, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   71 GLU  HN           71 GLU  HA          3.50    (#   2338:25  Unique         2.76, 2.79 A)
 &rst
  ixpk= 2338, nxpk= 25, iat=1100,1102, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   71 GLU  HA           71 GLU  HG-         3.50    (#   2339:25  Unique         2.48, 3.54 A)
 &rst
  ixpk= 2339, nxpk= 25, iat=1102,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1107,1108,
 &end
#
#   72 CYS  HN           71 GLU  HG+         4.50    (#   2340:25  Unique         2.94, 3.84 A)
 &rst
  ixpk= 2340, nxpk= 25, iat=1115,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1107,1108,
 &end
#
#   72 CYS  HN           71 GLU  HG-         4.50    (#   2341:25  Unique         2.94, 3.84 A)
 &rst
  ixpk= 2341, nxpk= 25, iat=1115,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1107,1108,
 &end
#
#   71 GLU  HN           71 GLU  HG-         4.50    (#   2342:25  Unique         1.99, 2.79 A)
 &rst
  ixpk= 2342, nxpk= 25, iat=1100,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1107,1108,
 &end
#
#   72 CYS  HN           72 CYS  HA          3.50    (#   2343:25  Unique         2.93, 2.94 A)
 &rst
  ixpk= 2343, nxpk= 25, iat=1115,1117, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   72 CYS  HB+          72 CYS  HA          2.80    (#   2345:25  Unique         2.44, 2.76 A)
 &rst
  ixpk= 2345, nxpk= 25, iat=  -1,1117, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1119,1120,
 &end
#
#   45 ALA  MB           72 CYS  HA          4.50    (#   2346:25  Unique         4.11, 4.71 A)
 &rst
  ixpk= 2346, nxpk= 25, iat=  -1,1117, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 715, 716, 717,
 &end
#
#   68 ALA  MB           72 CYS  HB+         3.50    (#   2347:25  Unique         2.30, 3.39 A)
 &rst
  ixpk= 2347, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1056,1057,1058,
 igr2=1119,1120,
 &end
#
#   45 ALA  MB           72 CYS  HB+         2.80    (#   2348:25  Unique         2.34, 3.37 A)
 &rst
  ixpk= 2348, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 715, 716, 717,
 igr2=1119,1120,
 &end
#
#   72 CYS  HA           72 CYS  HB+         2.80    (#   2349:25  Unique         2.44, 2.76 A)
 &rst
  ixpk= 2349, nxpk= 25, iat=1117,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1119,1120,
 &end
#
#   72 CYS  HN           72 CYS  HB+         3.50    (#   2350:25  Unique         2.41, 3.04 A)
 &rst
  ixpk= 2350, nxpk= 25, iat=1115,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1119,1120,
 &end
#
#   73 GLY  HN           72 CYS  HB+         4.50    (#   2351:25  Unique         3.46, 3.96 A)
 &rst
  ixpk= 2351, nxpk= 25, iat=1126,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1119,1120,
 &end
#
#   75 LEU  HN           74 ALA  HA          2.80    (#   2360:25  Unique         2.18, 2.23 A)
 &rst
  ixpk= 2360, nxpk= 25, iat=1143,1135, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  25-2:2361    74 ALA  HA          3.50    (#   2361:25  Single Ambig)
 &rst
  ixpk= 2361, nxpk= 25, iat=  -1,1135, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 614,1162,
 &end
#
#   74 ALA  HN           74 ALA  HA          3.50    (#   2362:25  Unique         2.92, 2.93 A)
 &rst
  ixpk= 2362, nxpk= 25, iat=1133,1135, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:2363    74 ALA  HA          5.50    (#   2363:25  Single Ambig)
 &rst
  ixpk= 2363, nxpk= 25, iat=  -1,1135, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1126,1621,
 &end
#
#   38 ILE  HA           74 ALA  HA          3.50    (#   2364:25  Unique         2.27, 2.35 A)
 &rst
  ixpk= 2364, nxpk= 25, iat= 597,1135, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  104 SER  HB+          74 ALA  HA          5.50    (#   2365:25  Unique         3.18, 3.97 A)
 &rst
  ixpk= 2365, nxpk= 25, iat=  -1,1135, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1604,1605,
 &end
#
#    0 AMB  25-2:2366    74 ALA  HA          5.50    (#   2366:25  Single Ambig)
 &rst
  ixpk= 2366, nxpk= 25, iat=  -1,1135, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1604,1605, 658, 659,
 &end
#
#   38 ILE  HB           74 ALA  HA          4.50    (#   2367:25  Unique         3.61, 3.65 A)
 &rst
  ixpk= 2367, nxpk= 25, iat= 599,1135, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:2368    74 ALA  HA          3.50    (#   2368:25  Single Ambig)
 &rst
  ixpk= 2368, nxpk= 25, iat=  -1,1135, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1150,1147,1148,
 &end
#
#   74 ALA  MB           74 ALA  HA          2.80    (#   2369:25  Unique         2.40, 2.65 A)
 &rst
  ixpk= 2369, nxpk= 25, iat=  -1,1135, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1137,1138,1139,
 &end
#
#   75 LEU  MDX          74 ALA  HA          5.50    (#   2370:25  Unique         4.67, 5.71 A)
 &rst
  ixpk= 2370, nxpk= 25, iat=  -1,1135, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1152,1153,1154,1156,1157,1158,
 &end
#
#   38 ILE  QG2          74 ALA  HA          2.80    (#   2371:25  Unique         2.06, 3.32 A)
 &rst
  ixpk= 2371, nxpk= 25, iat=  -1,1135, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 601, 602, 603,
 &end
#
#   38 ILE  QG2          74 ALA  MB          4.50    (#   2372:25  Unique         3.20, 4.87 A)
 &rst
  ixpk= 2372, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 601, 602, 603,
 igr2=1137,1138,1139,
 &end
#
#   74 ALA  HA           74 ALA  MB          2.80    (#   2373:25  Unique         2.40, 2.65 A)
 &rst
  ixpk= 2373, nxpk= 25, iat=1135,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1137,1138,1139,
 &end
#
#  106 ALA  HA           74 ALA  MB          2.80    (#   2374:25  Unique         3.06, 3.68 A)
 &rst
  ixpk= 2374, nxpk= 25, iat=1623,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1137,1138,1139,
 &end
#
#   70 PRO  HA           74 ALA  MB          2.80    (#   2375:25  Unique         2.22, 2.74 A)
 &rst
  ixpk= 2375, nxpk= 25, iat=1096,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1137,1138,1139,
 &end
#
#   67 HIS  HD2          74 ALA  MB          5.50    (#   2376:25  Unique         5.36, 6.28 A)
 &rst
  ixpk= 2376, nxpk= 25, iat=1048,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1137,1138,1139,
 &end
#
#    0 AMB  25-2:2377    74 ALA  MB          4.50    (#   2377:25  Single Ambig)
 &rst
  ixpk= 2377, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1126,1621,
 igr2=1137,1138,1139,
 &end
#
#   74 ALA  HN           74 ALA  MB          3.50    (#   2378:25  Unique         2.45, 2.93 A)
 &rst
  ixpk= 2378, nxpk= 25, iat=1133,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1137,1138,1139,
 &end
#
#  105 ALA  HN           74 ALA  MB          2.80    (#   2379:25  Unique         2.29, 2.89 A)
 &rst
  ixpk= 2379, nxpk= 25, iat=1611,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1137,1138,1139,
 &end
#
#   76 LYS  HN           75 LEU  HA          3.50    (#   2381:25  Unique         3.54, 3.56 A)
 &rst
  ixpk= 2381, nxpk= 25, iat=1162,1145, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:2383    75 LEU  HA          2.80    (#   2383:25  Single Ambig)
 &rst
  ixpk= 2383, nxpk= 25, iat=  -1,1145, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1147,1148,1150,
 &end
#
#   75 LEU  MDX          75 LEU  HB+         2.80    (#   2385:25  Unique         2.42, 3.32 A)
 &rst
  ixpk= 2385, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1152,1153,1154,1156,1157,1158,
 igr2=1147,1148,
 &end
#
#   15 ILE  QG2          15 ILE  HB          2.80    (#   2386:25  Unique         2.32, 2.62 A)
 &rst
  ixpk= 2386, nxpk= 25, iat=  -1, 229, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 231, 232, 233,
 &end
#
#  115 ILE  HA          118 LEU  HB-         5.50    (#   2388:25  Unique         2.48, 4.31 A)
 &rst
  ixpk= 2388, nxpk= 25, iat=1731,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1779,1780,
 &end
#
#    0 AMB  25-2:2389     0 AMB  25-1:2389   2.80    (#   2389:25  Double Ambig)
 &rst
  ixpk= 2389, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1777,2005,
 igr2=1779,1780,2007,2008,
 &end
#
#   75 LEU  HA           75 LEU  HB+         3.50    (#   2390:25  Unique         2.45, 2.75 A)
 &rst
  ixpk= 2390, nxpk= 25, iat=1145,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1147,1148,
 &end
#
#   75 LEU  HA           75 LEU  HB-         2.80    (#   2391:25  Unique         2.45, 2.75 A)
 &rst
  ixpk= 2391, nxpk= 25, iat=1145,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1147,1148,
 &end
#
#  133 THR  HN          132 LEU  HB+         4.50    (#   2392:25  Unique         3.18, 3.78 A)
 &rst
  ixpk= 2392, nxpk= 25, iat=2022,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=2007,2008,
 &end
#
#  132 LEU  HN          132 LEU  HB+         3.50    (#   2393:25  Unique         2.41, 3.03 A)
 &rst
  ixpk= 2393, nxpk= 25, iat=2003,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=2007,2008,
 &end
#
#  118 LEU  HN          118 LEU  HB-         3.50    (#   2394:25  Unique         2.37, 3.08 A)
 &rst
  ixpk= 2394, nxpk= 25, iat=1775,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1779,1780,
 &end
#
#    0 AMB  25-2:2395     0 AMB  25-1:2395   3.50    (#   2395:25  Double Ambig)
 &rst
  ixpk= 2395, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1143,1794,
 igr2=1147,1148,1779,1780,
 &end
#
#    0 AMB  25-2:2396     0 AMB  25-1:2396   2.80    (#   2396:25  Double Ambig)
 &rst
  ixpk= 2396, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 507,1143,
 igr2= 511, 512,1147,1148,
 &end
#
#   76 LYS  HN           75 LEU  HB+         3.50    (#   2397:25  Unique         2.75, 3.35 A)
 &rst
  ixpk= 2397, nxpk= 25, iat=1162,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1147,1148,
 &end
#
#   76 LYS  HN           75 LEU  HB-         3.50    (#   2398:25  Unique         2.75, 3.35 A)
 &rst
  ixpk= 2398, nxpk= 25, iat=1162,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1147,1148,
 &end
#
#   75 LEU  HN           75 LEU  HG          3.50    (#   2399:25  Unique         2.88, 2.97 A)
 &rst
  ixpk= 2399, nxpk= 25, iat=1143,1150, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:2400    75 LEU  HG          3.50    (#   2400:25  Single Ambig)
 &rst
  ixpk= 2400, nxpk= 25, iat=  -1,1150, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 614,1162,
 &end
#
#   38 ILE  HA           75 LEU  HG          2.80    (#   2401:25  Unique         2.49, 2.64 A)
 &rst
  ixpk= 2401, nxpk= 25, iat= 597,1150, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   75 LEU  HA           75 LEU  HG          3.50    (#   2402:25  Unique         3.18, 3.20 A)
 &rst
  ixpk= 2402, nxpk= 25, iat=1145,1150, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   74 ALA  HA           75 LEU  HG          3.50    (#   2403:25  Unique         3.51, 3.53 A)
 &rst
  ixpk= 2403, nxpk= 25, iat=1135,1150, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   75 LEU  MDY          75 LEU  HG          2.80    (#   2404:25  Unique         2.43, 2.66 A)
 &rst
  ixpk= 2404, nxpk= 25, iat=  -1,1150, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1152,1153,1154,1156,1157,1158,
 &end
#
#   75 LEU  HB+          75 LEU  MDY         2.80    (#   2406:25  Unique         2.42, 3.32 A)
 &rst
  ixpk= 2406, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1147,1148,
 igr2=1152,1153,1154,1156,1157,1158,
 &end
#
#    0 AMB  25-2:2407    75 LEU  MDY         2.80    (#   2407:25  Single Ambig)
 &rst
  ixpk= 2407, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1147,1148,1150,
 igr2=1152,1153,1154,1156,1157,1158,
 &end
#
#   75 LEU  HA           75 LEU  MDY         2.80    (#   2408:25  Unique         2.27, 3.91 A)
 &rst
  ixpk= 2408, nxpk= 25, iat=1145,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1152,1153,1154,1156,1157,1158,
 &end
#
#   14 VAL  HA           14 VAL  MGY         2.80    (#   2409:25  Unique         2.47, 3.17 A)
 &rst
  ixpk= 2409, nxpk= 25, iat= 211,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 215, 216, 217, 219, 220, 221,
 &end
#
#   38 ILE  HA           75 LEU  MDY         4.50    (#   2410:25  Unique         3.48, 4.75 A)
 &rst
  ixpk= 2410, nxpk= 25, iat= 597,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1152,1153,1154,1156,1157,1158,
 &end
#
#   75 LEU  HN           75 LEU  MDY         4.50    (#   2411:25  Unique         4.04, 4.87 A)
 &rst
  ixpk= 2411, nxpk= 25, iat=1143,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1152,1153,1154,1156,1157,1158,
 &end
#
#   77 THR  HN           76 LYS  HA          2.80    (#   2413:25  Unique         2.36, 2.43 A)
 &rst
  ixpk= 2413, nxpk= 25, iat=1184,1164, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   76 LYS  HN           76 LYS  HA          2.80    (#   2414:25  Unique         2.91, 2.93 A)
 &rst
  ixpk= 2414, nxpk= 25, iat=1162,1164, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   77 THR  HA           76 LYS  HA          5.50    (#   2415:25  Unique         4.31, 4.37 A)
 &rst
  ixpk= 2415, nxpk= 25, iat=1186,1164, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  25-2:2416    76 LYS  HA          4.50    (#   2416:25  Single Ambig)
 &rst
  ixpk= 2416, nxpk= 25, iat=  -1,1164, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 576,1188,
 &end
#
#   76 LYS  HB+          76 LYS  HA          2.80    (#   2417:25  Unique         2.39, 2.75 A)
 &rst
  ixpk= 2417, nxpk= 25, iat=  -1,1164, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1166,1167,
 &end
#
#    0 AMB  25-2:2418    76 LYS  HA          2.80    (#   2418:25  Single Ambig)
 &rst
  ixpk= 2418, nxpk= 25, iat=  -1,1164, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1166,1167,1169,1170,
 &end
#
#  106 ALA  MB           76 LYS  HA          2.80    (#   2419:25  Unique         2.23, 3.40 A)
 &rst
  ixpk= 2419, nxpk= 25, iat=  -1,1164, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1625,1626,1627,
 &end
#
#   76 LYS  HE-          76 LYS  HB+         5.50    (#   2424:25  Unique         2.14, 3.74 A)
 &rst
  ixpk= 2424, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1175,1176,
 igr2=1166,1167,
 &end
#
#   76 LYS  HE-          76 LYS  HB-         5.50    (#   2425:25  Unique         2.14, 3.74 A)
 &rst
  ixpk= 2425, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1175,1176,
 igr2=1166,1167,
 &end
#
#   76 LYS  HE+          76 LYS  HB+         5.50    (#   2426:25  Unique         2.14, 3.74 A)
 &rst
  ixpk= 2426, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1175,1176,
 igr2=1166,1167,
 &end
#
#   76 LYS  HE+          76 LYS  HB-         5.50    (#   2427:25  Unique         2.14, 3.74 A)
 &rst
  ixpk= 2427, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1175,1176,
 igr2=1166,1167,
 &end
#
#   37 TYR  HB-          76 LYS  HB+         5.50    (#   2428:25  Unique         3.11, 4.65 A)
 &rst
  ixpk= 2428, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 578, 579,
 igr2=1166,1167,
 &end
#
#   37 TYR  HB-          76 LYS  HB-         5.50    (#   2429:25  Unique         3.11, 4.65 A)
 &rst
  ixpk= 2429, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 578, 579,
 igr2=1166,1167,
 &end
#
#   37 TYR  HA           76 LYS  HB+         3.50    (#   2430:25  Unique         2.01, 2.93 A)
 &rst
  ixpk= 2430, nxpk= 25, iat= 576,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1166,1167,
 &end
#
#   76 LYS  HA           76 LYS  HB+         3.50    (#   2431:25  Unique         2.39, 2.75 A)
 &rst
  ixpk= 2431, nxpk= 25, iat=1164,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1166,1167,
 &end
#
#   37 TYR  HA           76 LYS  HB-         3.50    (#   2432:25  Unique         2.01, 2.93 A)
 &rst
  ixpk= 2432, nxpk= 25, iat= 576,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1166,1167,
 &end
#
#   76 LYS  HA           76 LYS  HB-         3.50    (#   2433:25  Unique         2.39, 2.75 A)
 &rst
  ixpk= 2433, nxpk= 25, iat=1164,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1166,1167,
 &end
#
#   37 TYR  HD           76 LYS  HB+         4.50    (#   2435:25  Unique         2.23, 4.17 A)
 &rst
  ixpk= 2435, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 582, 591,
 igr2=1166,1167,
 &end
#
#   37 TYR  HD           76 LYS  HB-         4.50    (#   2437:25  Unique         2.23, 4.17 A)
 &rst
  ixpk= 2437, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 582, 591,
 igr2=1166,1167,
 &end
#
#   76 LYS  HN           76 LYS  HB+         4.50    (#   2440:25  Unique         2.73, 3.34 A)
 &rst
  ixpk= 2440, nxpk= 25, iat=1162,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1166,1167,
 &end
#
#   77 THR  HN           76 LYS  HB+         4.50    (#   2441:25  Unique         2.46, 3.20 A)
 &rst
  ixpk= 2441, nxpk= 25, iat=1184,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1166,1167,
 &end
#
#   76 LYS  HN           76 LYS  HB-         4.50    (#   2442:25  Unique         2.73, 3.34 A)
 &rst
  ixpk= 2442, nxpk= 25, iat=1162,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1166,1167,
 &end
#
#   77 THR  HN           76 LYS  HB-         4.50    (#   2443:25  Unique         2.46, 3.20 A)
 &rst
  ixpk= 2443, nxpk= 25, iat=1184,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1166,1167,
 &end
#
#   75 LEU  HN           76 LYS  HB-         5.50    (#   2444:25  Unique         4.43, 5.15 A)
 &rst
  ixpk= 2444, nxpk= 25, iat=1143,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1166,1167,
 &end
#
#   75 LEU  HN           76 LYS  HB+         5.50    (#   2445:25  Unique         4.43, 5.15 A)
 &rst
  ixpk= 2445, nxpk= 25, iat=1143,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1166,1167,
 &end
#
#   76 LYS  HA           76 LYS  HG-         3.50    (#   2446:25  Unique         2.49, 2.98 A)
 &rst
  ixpk= 2446, nxpk= 25, iat=1164,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1169,1170,
 &end
#
#   37 TYR  HA           76 LYS  HG-         3.50    (#   2447:25  Unique         2.46, 3.59 A)
 &rst
  ixpk= 2447, nxpk= 25, iat= 576,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1169,1170,
 &end
#
#   33 LEU  HA           38 ILE  HG1+        5.50    (#   2448:25  Unique         2.16, 2.37 A)
 &rst
  ixpk= 2448, nxpk= 25, iat= 509,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 605, 606,
 &end
#
#   76 LYS  HA           76 LYS  HG+         4.50    (#   2449:25  Unique         2.49, 2.98 A)
 &rst
  ixpk= 2449, nxpk= 25, iat=1164,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1169,1170,
 &end
#
#   76 LYS  HE+          76 LYS  HG+         5.50    (#   2450:25  Unique         2.37, 3.19 A)
 &rst
  ixpk= 2450, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1175,1176,
 igr2=1169,1170,
 &end
#
#   76 LYS  HE+          76 LYS  HG-         4.50    (#   2451:25  Unique         2.37, 3.19 A)
 &rst
  ixpk= 2451, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1175,1176,
 igr2=1169,1170,
 &end
#
#   76 LYS  HE-          76 LYS  HG+         4.50    (#   2452:25  Unique         2.37, 3.19 A)
 &rst
  ixpk= 2452, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1175,1176,
 igr2=1169,1170,
 &end
#
#   76 LYS  HE-          76 LYS  HG-         4.50    (#   2453:25  Unique         2.37, 3.19 A)
 &rst
  ixpk= 2453, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1175,1176,
 igr2=1169,1170,
 &end
#
#   76 LYS  HE+          76 LYS  HD-         3.50    (#   2454:25  Unique         2.36, 2.73 A)
 &rst
  ixpk= 2454, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1175,1176,
 igr2=1172,1173,
 &end
#
#   76 LYS  HE-          76 LYS  HD-         3.50    (#   2455:25  Unique         2.36, 2.73 A)
 &rst
  ixpk= 2455, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1175,1176,
 igr2=1172,1173,
 &end
#
#   76 LYS  HA           76 LYS  HD-         4.50    (#   2456:25  Unique         4.21, 4.63 A)
 &rst
  ixpk= 2456, nxpk= 25, iat=1164,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1172,1173,
 &end
#
#    0 AMB  25-2:2457    76 LYS  HD-         4.50    (#   2457:25  Single Ambig)
 &rst
  ixpk= 2457, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 569, 570, 582, 591,
 igr2=1172,1173,
 &end
#
#   76 LYS  HN           76 LYS  HD-         5.50    (#   2458:25  Unique         4.61, 5.36 A)
 &rst
  ixpk= 2458, nxpk= 25, iat=1162,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1172,1173,
 &end
#
#    0 AMB  25-2:2459     0 AMB  25-1:2459   5.50    (#   2459:25  Double Ambig)
 &rst
  ixpk= 2459, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1= 569, 570, 582, 591,
 igr2=1175,1176,1175,1176,
 &end
#
#    0 AMB  25-2:2460    76 LYS  HE-         5.50    (#   2460:25  Single Ambig)
 &rst
  ixpk= 2460, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 569, 570, 582, 591,
 igr2=1175,1176,
 &end
#
#    0 AMB  25-2:2464     0 AMB  25-1:2464   5.50    (#   2464:25  Double Ambig)
 &rst
  ixpk= 2464, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 562,1164,
 igr2=1175,1176,1175,1176,
 &end
#
#    0 AMB  25-2:2465    76 LYS  HE-         5.50    (#   2465:25  Single Ambig)
 &rst
  ixpk= 2465, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 562,1164,
 igr2=1175,1176,
 &end
#
#   37 TYR  HA           76 LYS  HE+         4.50    (#   2466:25  Unique         2.31, 3.50 A)
 &rst
  ixpk= 2466, nxpk= 25, iat= 576,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1175,1176,
 &end
#
#   37 TYR  HA           76 LYS  HE-         4.50    (#   2467:25  Unique         2.31, 3.50 A)
 &rst
  ixpk= 2467, nxpk= 25, iat= 576,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1175,1176,
 &end
#
#   76 LYS  HB+          76 LYS  HE+         4.50    (#   2470:25  Unique         2.14, 3.74 A)
 &rst
  ixpk= 2470, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1166,1167,
 igr2=1175,1176,
 &end
#
#    0 AMB  25-2:2471     0 AMB  25-1:2471   2.80    (#   2471:25  Double Ambig)
 &rst
  ixpk= 2471, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=1166,1167,1172,1173,1169,1170,
 igr2=1175,1176,1175,1176,1175,1176,
 &end
#
#   76 LYS  HB+          76 LYS  HE-         4.50    (#   2473:25  Unique         2.14, 3.74 A)
 &rst
  ixpk= 2473, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1166,1167,
 igr2=1175,1176,
 &end
#
#   77 THR  MG2          77 THR  HA          2.80    (#   2474:25  Unique         2.54, 3.16 A)
 &rst
  ixpk= 2474, nxpk= 25, iat=  -1,1186, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1190,1191,1192,
 &end
#
#  104 SER  HB-          77 THR  HA          5.50    (#   2475:25  Unique         4.02, 4.83 A)
 &rst
  ixpk= 2475, nxpk= 25, iat=  -1,1186, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1604,1605,
 &end
#
#  104 SER  HB+          77 THR  HA          4.50    (#   2476:25  Unique         4.02, 4.83 A)
 &rst
  ixpk= 2476, nxpk= 25, iat=  -1,1186, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1604,1605,
 &end
#
#    0 AMB  25-2:2479    77 THR  HA          4.50    (#   2479:25  Single Ambig)
 &rst
  ixpk= 2479, nxpk= 25, iat=  -1,1186, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1164,1602,
 &end
#
#  106 ALA  HN           77 THR  HA          4.50    (#   2482:25  Unique         3.07, 3.19 A)
 &rst
  ixpk= 2482, nxpk= 25, iat=1621,1186, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   77 THR  HN           77 THR  HA          3.50    (#   2483:25  Unique         2.84, 2.87 A)
 &rst
  ixpk= 2483, nxpk= 25, iat=1184,1186, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  104 SER  HN           77 THR  HA          4.50    (#   2484:25  Unique         4.18, 4.23 A)
 &rst
  ixpk= 2484, nxpk= 25, iat=1600,1186, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   78 GLY  HN           77 THR  HA          2.80    (#   2485:25  Unique         2.18, 2.20 A)
 &rst
  ixpk= 2485, nxpk= 25, iat=1198,1186, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   78 GLY  HN           77 THR  HB          5.50    (#   2486:25  Unique         4.28, 4.36 A)
 &rst
  ixpk= 2486, nxpk= 25, iat=1198,1188, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   77 THR  HN           77 THR  HB          3.50    (#   2487:25  Unique         2.23, 2.27 A)
 &rst
  ixpk= 2487, nxpk= 25, iat=1184,1188, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  106 ALA  HN           77 THR  HB          5.50    (#   2488:25  Unique         3.76, 3.84 A)
 &rst
  ixpk= 2488, nxpk= 25, iat=1621,1188, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   77 THR  HA           77 THR  HB          4.50    (#   2489:25  Unique         3.02, 3.03 A)
 &rst
  ixpk= 2489, nxpk= 25, iat=1186,1188, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  105 ALA  HA           77 THR  HB          4.50    (#   2490:25  Unique         3.86, 3.92 A)
 &rst
  ixpk= 2490, nxpk= 25, iat=1613,1188, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:2492    77 THR  HB          5.50    (#   2492:25  Single Ambig)
 &rst
  ixpk= 2492, nxpk= 25, iat=  -1,1188, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1164,1667,
 &end
#
#   77 THR  MG2          77 THR  HB          2.80    (#   2494:25  Unique         2.39, 2.65 A)
 &rst
  ixpk= 2494, nxpk= 25, iat=  -1,1188, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1190,1191,1192,
 &end
#
#    0 AMB  25-2:2495    77 THR  HB          4.50    (#   2495:25  Single Ambig)
 &rst
  ixpk= 2495, nxpk= 25, iat=  -1,1188, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1=1625,1626,1627,1169,1170,
 &end
#
#   78 GLY  HN           77 THR  MG2         3.50    (#   2496:25  Unique         3.05, 3.73 A)
 &rst
  ixpk= 2496, nxpk= 25, iat=1198,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1190,1191,1192,
 &end
#
#   77 THR  HN           77 THR  MG2         4.50    (#   2497:25  Unique         4.19, 4.39 A)
 &rst
  ixpk= 2497, nxpk= 25, iat=1184,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1190,1191,1192,
 &end
#
#    0 AMB  25-2:2498    77 THR  MG2         4.50    (#   2498:25  Single Ambig)
 &rst
  ixpk= 2498, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1621,1719,
 igr2=1190,1191,1192,
 &end
#
#    6 TYR  HD           77 THR  MG2         4.50    (#   2500:25  Unique         2.36, 5.34 A)
 &rst
  ixpk= 2500, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=  95, 104,
 igr2=1190,1191,1192,
 &end
#
#   77 THR  HA           77 THR  MG2         3.50    (#   2505:25  Unique         2.54, 3.16 A)
 &rst
  ixpk= 2505, nxpk= 25, iat=1186,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1190,1191,1192,
 &end
#
#  105 ALA  HA           77 THR  MG2         3.50    (#   2506:25  Unique         2.39, 3.40 A)
 &rst
  ixpk= 2506, nxpk= 25, iat=1613,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1190,1191,1192,
 &end
#
#   78 GLY  HA+          77 THR  MG2         4.50    (#   2508:25  Unique         3.58, 5.18 A)
 &rst
  ixpk= 2508, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1200,1201,
 igr2=1190,1191,1192,
 &end
#
#  110 SER  HA           77 THR  MG2         4.50    (#   2509:25  Unique         3.48, 4.56 A)
 &rst
  ixpk= 2509, nxpk= 25, iat=1667,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1190,1191,1192,
 &end
#
#   77 THR  HB           77 THR  MG2         2.80    (#   2510:25  Unique         2.39, 2.65 A)
 &rst
  ixpk= 2510, nxpk= 25, iat=1188,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1190,1191,1192,
 &end
#
#    0 AMB  25-2:2511    77 THR  MG2         5.50    (#   2511:25  Single Ambig)
 &rst
  ixpk= 2511, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1=1678,1714,1715,
 igr2=1190,1191,1192,
 &end
#
#  110 SER  HB+          77 THR  MG2         3.50    (#   2515:25  Unique         2.10, 3.56 A)
 &rst
  ixpk= 2515, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1669,1670,
 igr2=1190,1191,1192,
 &end
#
#    0 AMB  25-2:2517    77 THR  MG2         5.50    (#   2517:25  Single Ambig)
 &rst
  ixpk= 2517, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1=1721,1604,1605,
 igr2=1190,1191,1192,
 &end
#
#  114 ALA  MB           77 THR  MG2         4.50    (#   2518:25  Unique         3.10, 4.36 A)
 &rst
  ixpk= 2518, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1=1723,1724,1725,
 igr2=1190,1191,1192,
 &end
#
#  103 LEU  MDY          77 THR  MG2         4.50    (#   2519:25  Unique         3.61, 6.33 A)
 &rst
  ixpk= 2519, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=1590,1591,1592,1594,1595,1596,
 igr2=1190,1191,1192,
 &end
#
#   32 LEU  MDY          78 GLY  HA+         4.50    (#   2520:25  Unique         2.79, 5.17 A)
 &rst
  ixpk= 2520, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 497, 498, 499, 501, 502, 503,
 igr2=1200,1201,
 &end
#
#   32 LEU  MDY          78 GLY  HA-         4.50    (#   2521:25  Unique         2.79, 5.17 A)
 &rst
  ixpk= 2521, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 497, 498, 499, 501, 502, 503,
 igr2=1200,1201,
 &end
#
#   79 MET  HB-          79 MET  HA          3.50    (#   2523:25  Unique         2.50, 2.80 A)
 &rst
  ixpk= 2523, nxpk= 25, iat=  -1,1207, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1209,1210,
 &end
#
#   32 LEU  MDX          79 MET  HA          3.50    (#   2524:25  Unique         2.37, 3.89 A)
 &rst
  ixpk= 2524, nxpk= 25, iat=  -1,1207, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 497, 498, 499, 501, 502, 503,
 &end
#
#   79 MET  HG-          79 MET  HA          2.80    (#   2526:25  Unique         2.26, 2.73 A)
 &rst
  ixpk= 2526, nxpk= 25, iat=  -1,1207, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1212,1213,
 &end
#
#   79 MET  HG+          79 MET  HA          3.50    (#   2527:25  Unique         2.26, 2.73 A)
 &rst
  ixpk= 2527, nxpk= 25, iat=  -1,1207, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1212,1213,
 &end
#
#    0 AMB  25-2:2528    79 MET  HA          5.50    (#   2528:25  Single Ambig)
 &rst
  ixpk= 2528, nxpk= 25, iat=  -1,1207, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1226,1227,1604,1605,1039,1040,
 &end
#
#  103 LEU  HA           79 MET  HA          3.50    (#   2529:25  Unique         1.95, 2.08 A)
 &rst
  ixpk= 2529, nxpk= 25, iat=1583,1207, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   79 MET  HN           79 MET  HA          4.50    (#   2530:25  Unique         2.93, 2.95 A)
 &rst
  ixpk= 2530, nxpk= 25, iat=1205,1207, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  102 GLY  HN           79 MET  HA          5.50    (#   2531:25  Unique         4.59, 4.78 A)
 &rst
  ixpk= 2531, nxpk= 25, iat=1574,1207, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   80 SER  HN           79 MET  HA          2.80    (#   2532:25  Unique         2.41, 2.47 A)
 &rst
  ixpk= 2532, nxpk= 25, iat=1222,1207, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  104 SER  HN           79 MET  HA          4.50    (#   2533:25  Unique         3.37, 3.48 A)
 &rst
  ixpk= 2533, nxpk= 25, iat=1600,1207, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   80 SER  HN           79 MET  HB+         4.50    (#   2534:25  Unique         2.27, 3.03 A)
 &rst
  ixpk= 2534, nxpk= 25, iat=1222,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1209,1210,
 &end
#
#   80 SER  HN           79 MET  HB-         4.50    (#   2535:25  Unique         2.27, 3.03 A)
 &rst
  ixpk= 2535, nxpk= 25, iat=1222,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1209,1210,
 &end
#
#   79 MET  HN           79 MET  HB-         4.50    (#   2536:25  Unique         2.64, 3.31 A)
 &rst
  ixpk= 2536, nxpk= 25, iat=1205,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1209,1210,
 &end
#
#   79 MET  HN           79 MET  HB+         4.50    (#   2537:25  Unique         2.64, 3.31 A)
 &rst
  ixpk= 2537, nxpk= 25, iat=1205,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1209,1210,
 &end
#
#    0 AMB  25-2:2542    79 MET  HB-         5.50    (#   2542:25  Single Ambig)
 &rst
  ixpk= 2542, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 116, 124, 108,
 igr2=1209,1210,
 &end
#
#   79 MET  HA           79 MET  HB+         3.50    (#   2545:25  Unique         2.50, 2.80 A)
 &rst
  ixpk= 2545, nxpk= 25, iat=1207,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1209,1210,
 &end
#
#   79 MET  HA           79 MET  HB-         4.50    (#   2546:25  Unique         2.50, 2.80 A)
 &rst
  ixpk= 2546, nxpk= 25, iat=1207,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1209,1210,
 &end
#
#  103 LEU  HA           79 MET  HB-         5.50    (#   2547:25  Unique         3.60, 4.13 A)
 &rst
  ixpk= 2547, nxpk= 25, iat=1583,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1209,1210,
 &end
#
#  103 LEU  HA           79 MET  HB+         5.50    (#   2548:25  Unique         3.60, 4.13 A)
 &rst
  ixpk= 2548, nxpk= 25, iat=1583,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1209,1210,
 &end
#
#    6 TYR  HB+          79 MET  HB-         5.50    (#   2549:25  Unique         2.29, 3.36 A)
 &rst
  ixpk= 2549, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=  91,  92,
 igr2=1209,1210,
 &end
#
#   79 MET  HG+          79 MET  HB+         3.50    (#   2551:25  Unique         2.28, 2.75 A)
 &rst
  ixpk= 2551, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1212,1213,
 igr2=1209,1210,
 &end
#
#   79 MET  HG+          79 MET  HB-         3.50    (#   2552:25  Unique         2.28, 2.75 A)
 &rst
  ixpk= 2552, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1212,1213,
 igr2=1209,1210,
 &end
#
#   79 MET  HG-          79 MET  HB-         3.50    (#   2553:25  Unique         2.28, 2.75 A)
 &rst
  ixpk= 2553, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1212,1213,
 igr2=1209,1210,
 &end
#
#  103 LEU  HG           79 MET  HB+         4.50    (#   2557:25  Unique         4.34, 4.72 A)
 &rst
  ixpk= 2557, nxpk= 25, iat=1588,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1209,1210,
 &end
#
#    0 AMB  25-2:2558     0 AMB  25-1:2558   4.50    (#   2558:25  Double Ambig)
 &rst
  ixpk= 2558, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1=1561,1562,1563,  54,  55,  56,  58,  59,  60,
 igr2=1209,1210,1209,1210,
 &end
#
#  103 LEU  MDY          79 MET  HB+         5.50    (#   2559:25  Unique         5.37, 6.80 A)
 &rst
  ixpk= 2559, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1590,1591,1592,1594,1595,1596,
 igr2=1209,1210,
 &end
#
#  103 LEU  HG           79 MET  HB-         4.50    (#   2560:25  Unique         4.34, 4.72 A)
 &rst
  ixpk= 2560, nxpk= 25, iat=1588,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1209,1210,
 &end
#
#    0 AMB  25-2:2561    79 MET  HB-         4.50    (#   2561:25  Single Ambig)
 &rst
  ixpk= 2561, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=1561,1562,1563,  54,  55,  56,  58,  59,  60,
 igr2=1209,1210,
 &end
#
#    0 AMB  25-2:2562    79 MET  HB-         5.50    (#   2562:25  Single Ambig)
 &rst
  ixpk= 2562, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1=1784,1785,1786,1788,1789,1790,1242,1243,1244,1246,
      1247,1248,
 igr2=1209,1210,
 &end
#
#  103 LEU  MDY          79 MET  HB-         5.50    (#   2563:25  Unique         5.37, 6.80 A)
 &rst
  ixpk= 2563, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1590,1591,1592,1594,1595,1596,
 igr2=1209,1210,
 &end
#
#   79 MET  HB-          79 MET  HG+         4.50    (#   2566:25  Unique         2.28, 2.75 A)
 &rst
  ixpk= 2566, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1209,1210,
 igr2=1212,1213,
 &end
#
#   79 MET  HB-          79 MET  HG-         3.50    (#   2567:25  Unique         2.28, 2.75 A)
 &rst
  ixpk= 2567, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1209,1210,
 igr2=1212,1213,
 &end
#
#  103 LEU  MDY          79 MET  HG+         3.50    (#   2568:25  Unique         3.22, 4.62 A)
 &rst
  ixpk= 2568, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1590,1591,1592,1594,1595,1596,
 igr2=1212,1213,
 &end
#
#  103 LEU  MDY          79 MET  HG-         3.50    (#   2569:25  Unique         3.22, 4.62 A)
 &rst
  ixpk= 2569, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1590,1591,1592,1594,1595,1596,
 igr2=1212,1213,
 &end
#
#    0 AMB  25-2:2570    79 MET  HG-         4.50    (#   2570:25  Single Ambig)
 &rst
  ixpk= 2570, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=1561,1562,1563,  54,  55,  56,  58,  59,  60,
 igr2=1212,1213,
 &end
#
#    0 AMB  25-2:2571     0 AMB  25-1:2571   4.50    (#   2571:25  Double Ambig)
 &rst
  ixpk= 2571, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1=1561,1562,1563,  54,  55,  56,  58,  59,  60,
 igr2=1212,1213,1212,1213,
 &end
#
#  103 LEU  HG           79 MET  HG+         3.50    (#   2572:25  Unique         2.06, 2.45 A)
 &rst
  ixpk= 2572, nxpk= 25, iat=1588,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1212,1213,
 &end
#
#  103 LEU  HG           79 MET  HG-         3.50    (#   2573:25  Unique         2.06, 2.45 A)
 &rst
  ixpk= 2573, nxpk= 25, iat=1588,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1212,1213,
 &end
#
#    0 AMB  25-2:2575     0 AMB  25-1:2575   2.80    (#   2575:25  Double Ambig)
 &rst
  ixpk= 2575, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1209,1210,1585,1586,
 igr2=1212,1213,1212,1213,
 &end
#
#    0 AMB  25-2:2576    79 MET  HG-         3.50    (#   2576:25  Single Ambig)
 &rst
  ixpk= 2576, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1209,1210,1585,1586,
 igr2=1212,1213,
 &end
#
#    6 TYR  HB+          79 MET  HG-         5.50    (#   2579:25  Unique         2.01, 3.52 A)
 &rst
  ixpk= 2579, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=  91,  92,
 igr2=1212,1213,
 &end
#
#  103 LEU  HA           79 MET  HG-         4.50    (#   2580:25  Unique         1.94, 2.69 A)
 &rst
  ixpk= 2580, nxpk= 25, iat=1583,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1212,1213,
 &end
#
#   79 MET  HA           79 MET  HG-         4.50    (#   2581:25  Unique         2.26, 2.73 A)
 &rst
  ixpk= 2581, nxpk= 25, iat=1207,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1212,1213,
 &end
#
#  103 LEU  HA           79 MET  HG+         4.50    (#   2582:25  Unique         1.94, 2.69 A)
 &rst
  ixpk= 2582, nxpk= 25, iat=1583,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1212,1213,
 &end
#
#   79 MET  HA           79 MET  HG+         3.50    (#   2583:25  Unique         2.26, 2.73 A)
 &rst
  ixpk= 2583, nxpk= 25, iat=1207,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1212,1213,
 &end
#
#   79 MET  HN           79 MET  HG+         5.50    (#   2584:25  Unique         3.42, 3.94 A)
 &rst
  ixpk= 2584, nxpk= 25, iat=1205,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1212,1213,
 &end
#
#   79 MET  HN           79 MET  HG-         4.50    (#   2585:25  Unique         3.42, 3.94 A)
 &rst
  ixpk= 2585, nxpk= 25, iat=1205,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1212,1213,
 &end
#
#   80 SER  HN           79 MET  HG-         5.50    (#   2586:25  Unique         3.64, 4.29 A)
 &rst
  ixpk= 2586, nxpk= 25, iat=1222,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1212,1213,
 &end
#
#   80 SER  HN           79 MET  HG+         4.50    (#   2587:25  Unique         3.64, 4.29 A)
 &rst
  ixpk= 2587, nxpk= 25, iat=1222,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1212,1213,
 &end
#
#  104 SER  HN           79 MET  HG+         5.50    (#   2588:25  Unique         3.29, 3.87 A)
 &rst
  ixpk= 2588, nxpk= 25, iat=1600,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1212,1213,
 &end
#
#  104 SER  HN           79 MET  HG-         5.50    (#   2589:25  Unique         3.29, 3.87 A)
 &rst
  ixpk= 2589, nxpk= 25, iat=1600,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1212,1213,
 &end
#
#   81 LEU  HN           80 SER  HA          2.80    (#   2590:25  Unique         2.29, 2.42 A)
 &rst
  ixpk= 2590, nxpk= 25, iat=1233,1224, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   80 SER  HN           80 SER  HA          4.50    (#   2591:25  Unique         2.87, 2.92 A)
 &rst
  ixpk= 2591, nxpk= 25, iat=1222,1224, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    7 PHE  HD           80 SER  HA          3.50    (#   2593:25  Unique         2.04, 4.36 A)
 &rst
  ixpk= 2593, nxpk= 25, iat=  -1,1224, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 116, 124,
 &end
#
#    0 AMB  25-2:2597    80 SER  HA          5.50    (#   2597:25  Single Ambig)
 &rst
  ixpk= 2597, nxpk= 25, iat=  -1,1224, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1235,1207,
 &end
#
#   80 SER  HB+          80 SER  HA          2.80    (#   2598:25  Unique         2.35, 2.66 A)
 &rst
  ixpk= 2598, nxpk= 25, iat=  -1,1224, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1226,1227,
 &end
#
#   11 SER  HB+          80 SER  HA          3.50    (#   2599:25  Unique         2.07, 3.18 A)
 &rst
  ixpk= 2599, nxpk= 25, iat=  -1,1224, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 172, 173,
 &end
#
#   80 SER  HB-          80 SER  HA          3.50    (#   2600:25  Unique         2.35, 2.66 A)
 &rst
  ixpk= 2600, nxpk= 25, iat=  -1,1224, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1226,1227,
 &end
#
#    7 PHE  HB+          80 SER  HA          4.50    (#   2601:25  Unique         2.61, 4.82 A)
 &rst
  ixpk= 2601, nxpk= 25, iat=  -1,1224, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 112, 113,
 &end
#
#   81 LEU  HB-          80 SER  HA          4.50    (#   2602:25  Unique         3.79, 4.72 A)
 &rst
  ixpk= 2602, nxpk= 25, iat=  -1,1224, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1237,1238,
 &end
#
#    0 AMB  25-2:2603    80 SER  HA          4.50    (#   2603:25  Single Ambig)
 &rst
  ixpk= 2603, nxpk= 25, iat=  -1,1224, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1237,1238,1209,1210,
 &end
#
#    0 AMB  25-2:2605    80 SER  HA          5.50    (#   2605:25  Single Ambig)
 &rst
  ixpk= 2605, nxpk= 25, iat=  -1,1224, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 189, 190, 497, 498, 499, 501, 502, 503,1240,
 &end
#
#   32 LEU  MDY          80 SER  HA          5.50    (#   2606:25  Unique         4.60, 5.89 A)
 &rst
  ixpk= 2606, nxpk= 25, iat=  -1,1224, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 497, 498, 499, 501, 502, 503,
 &end
#
#   32 LEU  MDY          80 SER  HB+         5.50    (#   2607:25  Unique         3.20, 5.11 A)
 &rst
  ixpk= 2607, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 497, 498, 499, 501, 502, 503,
 igr2=1226,1227,
 &end
#
#   32 LEU  MDY          80 SER  HB-         5.50    (#   2608:25  Unique         3.20, 5.11 A)
 &rst
  ixpk= 2608, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 497, 498, 499, 501, 502, 503,
 igr2=1226,1227,
 &end
#
#    0 AMB  25-2:2609     0 AMB  25-1:2609   5.50    (#   2609:25  Double Ambig)
 &rst
  ixpk= 2609, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.80, r4=10.55,
 igr1= 497, 498, 499, 501, 502, 503, 189, 190,
 igr2=1226,1227,1226,1227,
 &end
#
#    0 AMB  25-2:2610    80 SER  HB-         4.50    (#   2610:25  Single Ambig)
 &rst
  ixpk= 2610, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 497, 498, 499, 501, 502, 503, 189, 190,
 igr2=1226,1227,
 &end
#
#   32 LEU  HG           80 SER  HB+         5.50    (#   2611:25  Unique         2.33, 3.50 A)
 &rst
  ixpk= 2611, nxpk= 25, iat= 495,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1226,1227,
 &end
#
#   32 LEU  HG           80 SER  HB-         4.50    (#   2612:25  Unique         2.33, 3.50 A)
 &rst
  ixpk= 2612, nxpk= 25, iat= 495,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1226,1227,
 &end
#
#    0 AMB  25-2:2615     0 AMB  25-1:2615   4.50    (#   2615:25  Double Ambig)
 &rst
  ixpk= 2615, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 172, 173, 129, 130,
 igr2=1226,1227,1226,1227,
 &end
#
#    0 AMB  25-2:2617    80 SER  HB-         4.50    (#   2617:25  Single Ambig)
 &rst
  ixpk= 2617, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 172, 173, 129, 130,
 igr2=1226,1227,
 &end
#
#   80 SER  HA           80 SER  HB+         3.50    (#   2620:25  Unique         2.35, 2.66 A)
 &rst
  ixpk= 2620, nxpk= 25, iat=1224,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1226,1227,
 &end
#
#   80 SER  HA           80 SER  HB-         3.50    (#   2622:25  Unique         2.35, 2.66 A)
 &rst
  ixpk= 2622, nxpk= 25, iat=1224,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1226,1227,
 &end
#
#   80 SER  HN           80 SER  HB+         5.50    (#   2625:25  Unique         2.83, 3.54 A)
 &rst
  ixpk= 2625, nxpk= 25, iat=1222,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1226,1227,
 &end
#
#   80 SER  HN           80 SER  HB-         5.50    (#   2626:25  Unique         2.83, 3.54 A)
 &rst
  ixpk= 2626, nxpk= 25, iat=1222,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1226,1227,
 &end
#
#   81 LEU  HN           80 SER  HB+         4.50    (#   2627:25  Unique         2.33, 3.16 A)
 &rst
  ixpk= 2627, nxpk= 25, iat=1233,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1226,1227,
 &end
#
#   81 LEU  HN           80 SER  HB-         4.50    (#   2628:25  Unique         2.33, 3.16 A)
 &rst
  ixpk= 2628, nxpk= 25, iat=1233,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1226,1227,
 &end
#
#    0 AMB  25-2:2629    81 LEU  HA          2.80    (#   2629:25  Single Ambig)
 &rst
  ixpk= 2629, nxpk= 25, iat=  -1,1235, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1252,1233,
 &end
#
#  100 LEU  HN           81 LEU  HA          5.50    (#   2630:25  Unique         4.51, 4.67 A)
 &rst
  ixpk= 2630, nxpk= 25, iat=1536,1235, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  102 GLY  HN           81 LEU  HA          5.50    (#   2631:25  Unique         3.27, 3.46 A)
 &rst
  ixpk= 2631, nxpk= 25, iat=1574,1235, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  25-2:2636    81 LEU  HA          5.50    (#   2636:25  Single Ambig)
 &rst
  ixpk= 2636, nxpk= 25, iat=  -1,1235, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1256, 437, 438,
 &end
#
#   81 LEU  HB-          81 LEU  HA          3.50    (#   2637:25  Unique         2.67, 2.88 A)
 &rst
  ixpk= 2637, nxpk= 25, iat=  -1,1235, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1237,1238,
 &end
#
#   81 LEU  HB+          81 LEU  HA          2.80    (#   2638:25  Unique         2.67, 2.88 A)
 &rst
  ixpk= 2638, nxpk= 25, iat=  -1,1235, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1237,1238,
 &end
#
#  101 ILE  QG2          81 LEU  HA          4.50    (#   2639:25  Unique         3.81, 5.12 A)
 &rst
  ixpk= 2639, nxpk= 25, iat=  -1,1235, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1561,1562,1563,
 &end
#
#    0 AMB  25-2:2640    81 LEU  HA          2.80    (#   2640:25  Single Ambig)
 &rst
  ixpk= 2640, nxpk= 25, iat=  -1,1235, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1=1242,1243,1244,1246,1247,1248,1568,1569,1570,
 &end
#
#   12 ILE  QD1          81 LEU  HB-         4.50    (#   2641:25  Unique         2.68, 4.31 A)
 &rst
  ixpk= 2641, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 192, 193, 194,
 igr2=1237,1238,
 &end
#
#   12 ILE  QD1          81 LEU  HB+         4.50    (#   2642:25  Unique         2.68, 4.31 A)
 &rst
  ixpk= 2642, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 192, 193, 194,
 igr2=1237,1238,
 &end
#
#    0 AMB  25-2:2643    81 LEU  HB-         2.80    (#   2643:25  Single Ambig)
 &rst
  ixpk= 2643, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1242,1243,1244,1246,1247,1248, 185, 186, 187,
 igr2=1237,1238,
 &end
#
#    0 AMB  25-2:2644     0 AMB  25-1:2644   2.80    (#   2644:25  Double Ambig)
 &rst
  ixpk= 2644, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=1242,1243,1244,1246,1247,1248, 185, 186, 187,
 igr2=1237,1238,1237,1238,
 &end
#
#   81 LEU  HA           81 LEU  HB-         3.50    (#   2649:25  Unique         2.67, 2.88 A)
 &rst
  ixpk= 2649, nxpk= 25, iat=1235,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1237,1238,
 &end
#
#   81 LEU  HA           81 LEU  HB+         3.50    (#   2650:25  Unique         2.67, 2.88 A)
 &rst
  ixpk= 2650, nxpk= 25, iat=1235,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1237,1238,
 &end
#
#    7 PHE  HD           81 LEU  HB+         5.50    (#   2657:25  Unique         2.70, 6.19 A)
 &rst
  ixpk= 2657, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 116, 124,
 igr2=1237,1238,
 &end
#
#    7 PHE  HD           81 LEU  HB-         5.50    (#   2658:25  Unique         2.70, 6.19 A)
 &rst
  ixpk= 2658, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 116, 124,
 igr2=1237,1238,
 &end
#
#    0 AMB  25-2:2659    81 LEU  HB-         3.50    (#   2659:25  Single Ambig)
 &rst
  ixpk= 2659, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1233,1252,
 igr2=1237,1238,
 &end
#
#    0 AMB  25-2:2660     0 AMB  25-1:2660   3.50    (#   2660:25  Double Ambig)
 &rst
  ixpk= 2660, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1233,1252,
 igr2=1237,1238,1237,1238,
 &end
#
#  101 ILE  HG1+         81 LEU  HG          4.50    (#   2661:25  Unique         2.15, 3.08 A)
 &rst
  ixpk= 2661, nxpk= 25, iat=  -1,1240, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1565,1566,
 &end
#
#  140 LEU  HG            0 AMB  25-1:2662   4.50    (#   2662:25  Single Ambig)
 &rst
  ixpk= 2662, nxpk= 25, iat=2129,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 189, 190,1240,
 &end
#
#    0 AMB  25-2:2663    81 LEU  MDX         4.50    (#   2663:25  Single Ambig)
 &rst
  ixpk= 2663, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1252,1233,
 igr2=1242,1243,1244,1246,1247,1248,
 &end
#
#   81 LEU  HA           81 LEU  MDX         3.50    (#   2666:25  Unique         2.04, 3.91 A)
 &rst
  ixpk= 2666, nxpk= 25, iat=1235,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1242,1243,1244,1246,1247,1248,
 &end
#
#  101 ILE  HA           81 LEU  MDX         3.50    (#   2667:25  Unique         2.55, 5.26 A)
 &rst
  ixpk= 2667, nxpk= 25, iat=1557,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1242,1243,1244,1246,1247,1248,
 &end
#
#   12 ILE  QD1          81 LEU  MDX         3.50    (#   2668:25  Unique         2.41, 5.62 A)
 &rst
  ixpk= 2668, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 192, 193, 194,
 igr2=1242,1243,1244,1246,1247,1248,
 &end
#
#   82 THR  MG2          82 THR  HA          2.80    (#   2670:25  Unique         2.44, 3.17 A)
 &rst
  ixpk= 2670, nxpk= 25, iat=  -1,1254, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1258,1259,1260,
 &end
#
#   83 LEU  HB+          82 THR  HA          4.50    (#   2671:25  Unique         4.24, 4.63 A)
 &rst
  ixpk= 2671, nxpk= 25, iat=  -1,1254, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1270,1271,
 &end
#
#   13 SER  HB-          82 THR  HA          4.50    (#   2672:25  Unique         3.43, 4.73 A)
 &rst
  ixpk= 2672, nxpk= 25, iat=  -1,1254, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 202, 203,
 &end
#
#   13 SER  HB+          82 THR  HA          5.50    (#   2673:25  Unique         3.43, 4.73 A)
 &rst
  ixpk= 2673, nxpk= 25, iat=  -1,1254, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 202, 203,
 &end
#
#   82 THR  HB           82 THR  HA          4.50    (#   2674:25  Unique         3.04, 3.06 A)
 &rst
  ixpk= 2674, nxpk= 25, iat=1256,1254, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   83 LEU  HN           82 THR  HA          2.80    (#   2678:25  Unique         2.16, 2.23 A)
 &rst
  ixpk= 2678, nxpk= 25, iat=1266,1254, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  25-2:2679    82 THR  HA          2.80    (#   2679:25  Single Ambig)
 &rst
  ixpk= 2679, nxpk= 25, iat=  -1,1254, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 198,1252,
 &end
#
#  100 LEU  HN           82 THR  HB          4.50    (#   2680:25  Unique         2.94, 3.23 A)
 &rst
  ixpk= 2680, nxpk= 25, iat=1536,1256, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   82 THR  HN           82 THR  HB          3.50    (#   2681:25  Unique         2.53, 2.70 A)
 &rst
  ixpk= 2681, nxpk= 25, iat=1252,1256, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   83 LEU  HN           82 THR  HB          5.50    (#   2682:25  Unique         3.91, 4.12 A)
 &rst
  ixpk= 2682, nxpk= 25, iat=1266,1256, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  25-2:2684    82 THR  HB          4.50    (#   2684:25  Single Ambig)
 &rst
  ixpk= 2684, nxpk= 25, iat=  -1,1256, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1235,1519,1538,
 &end
#
#    0 AMB  25-2:2685    82 THR  HB          4.50    (#   2685:25  Single Ambig)
 &rst
  ixpk= 2685, nxpk= 25, iat=  -1,1256, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1254,1268,
 &end
#
#   28 SER  HA           82 THR  HB          5.50    (#   2687:25  Unique         2.88, 3.34 A)
 &rst
  ixpk= 2687, nxpk= 25, iat= 435,1256, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  100 LEU  HB+          82 THR  HB          3.50    (#   2689:25  Unique         2.07, 3.07 A)
 &rst
  ixpk= 2689, nxpk= 25, iat=  -1,1256, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1540,1541,
 &end
#
#  100 LEU  HG           82 THR  HB          4.50    (#   2690:25  Unique         4.31, 4.54 A)
 &rst
  ixpk= 2690, nxpk= 25, iat=1543,1256, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  100 LEU  HB-          82 THR  HB          4.50    (#   2691:25  Unique         2.07, 3.07 A)
 &rst
  ixpk= 2691, nxpk= 25, iat=  -1,1256, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1540,1541,
 &end
#
#    0 AMB  25-2:2692    82 THR  HB          2.80    (#   2692:25  Single Ambig)
 &rst
  ixpk= 2692, nxpk= 25, iat=  -1,1256, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1=1258,1259,1260,1545,1546,1547,1549,1550,1551,
 &end
#
#    0 AMB  25-2:2693     0 AMB  25-1:2693   2.80    (#   2693:25  Double Ambig)
 &rst
  ixpk= 2693, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
 igr1= 731, 732, 238, 239, 240,
 igr2=1056,1057,1058,1258,1259,1260,
 &end
#
#    0 AMB  25-2:2695    82 THR  MG2         2.80    (#   2695:25  Single Ambig)
 &rst
  ixpk= 2695, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1254,1268,
 igr2=1258,1259,1260,
 &end
#
#    0 AMB  25-2:2696    82 THR  MG2         4.50    (#   2696:25  Single Ambig)
 &rst
  ixpk= 2696, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 198,1252,
 igr2=1258,1259,1260,
 &end
#
#   15 ILE  HN           82 THR  MG2         4.50    (#   2697:25  Unique         4.67, 5.47 A)
 &rst
  ixpk= 2697, nxpk= 25, iat= 225,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1258,1259,1260,
 &end
#
#   84 LEU  HN           83 LEU  HA          2.80    (#   2698:25  Unique         2.14, 2.19 A)
 &rst
  ixpk= 2698, nxpk= 25, iat=1285,1268, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   15 ILE  HN           84 LEU  HA          3.50    (#   2699:25  Unique         3.01, 3.28 A)
 &rst
  ixpk= 2699, nxpk= 25, iat= 225,1287, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   83 LEU  HN           83 LEU  HA          3.50    (#   2700:25  Unique         2.93, 2.97 A)
 &rst
  ixpk= 2700, nxpk= 25, iat=1266,1268, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   83 LEU  HB+          83 LEU  HA          3.50    (#   2701:25  Unique         2.46, 2.79 A)
 &rst
  ixpk= 2701, nxpk= 25, iat=  -1,1268, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1270,1271,
 &end
#
#   83 LEU  HB-          83 LEU  HA          2.80    (#   2702:25  Unique         2.46, 2.79 A)
 &rst
  ixpk= 2702, nxpk= 25, iat=  -1,1268, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1270,1271,
 &end
#
#   83 LEU  MDY          83 LEU  HA          2.80    (#   2704:25  Unique         2.09, 4.00 A)
 &rst
  ixpk= 2704, nxpk= 25, iat=  -1,1268, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1275,1276,1277,1279,1280,1281,
 &end
#
#  100 LEU  MDX          83 LEU  HA          3.50    (#   2705:25  Unique         3.40, 6.06 A)
 &rst
  ixpk= 2705, nxpk= 25, iat=  -1,1268, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1545,1546,1547,1549,1550,1551,
 &end
#
#   83 LEU  MDX          83 LEU  HB+         2.80    (#   2706:25  Unique         2.38, 3.31 A)
 &rst
  ixpk= 2706, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1275,1276,1277,1279,1280,1281,
 igr2=1270,1271,
 &end
#
#    0 AMB  25-2:2708     0 AMB  25-1:2708   2.80    (#   2708:25  Double Ambig)
 &rst
  ixpk= 2708, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
 igr1=2131,2132,2133,2135,2136,2137, 215, 216, 217, 219,
       220, 221,
 igr2=1270,1271,1270,1271,
 &end
#
#   83 LEU  HG           83 LEU  HB+         2.80    (#   2709:25  Unique         2.50, 2.81 A)
 &rst
  ixpk= 2709, nxpk= 25, iat=1273,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1270,1271,
 &end
#
#   14 VAL  HA           83 LEU  HB+         4.50    (#   2711:25  Unique         2.28, 3.21 A)
 &rst
  ixpk= 2711, nxpk= 25, iat= 211,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1270,1271,
 &end
#
#   83 LEU  HA           83 LEU  HB+         3.50    (#   2712:25  Unique         2.46, 2.79 A)
 &rst
  ixpk= 2712, nxpk= 25, iat=1268,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1270,1271,
 &end
#
#   83 LEU  HN           83 LEU  HB+         3.50    (#   2714:25  Unique         2.68, 2.91 A)
 &rst
  ixpk= 2714, nxpk= 25, iat=1266,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1270,1271,
 &end
#
#   15 ILE  HN           83 LEU  HB+         5.50    (#   2715:25  Unique         3.03, 4.28 A)
 &rst
  ixpk= 2715, nxpk= 25, iat= 225,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1270,1271,
 &end
#
#    0 AMB  25-2:2717    83 LEU  HB-         4.50    (#   2717:25  Single Ambig)
 &rst
  ixpk= 2717, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1285,1536,
 igr2=1270,1271,
 &end
#
#   83 LEU  HN           83 LEU  HB-         4.50    (#   2718:25  Unique         2.68, 2.91 A)
 &rst
  ixpk= 2718, nxpk= 25, iat=1266,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1270,1271,
 &end
#
#   83 LEU  HA           83 LEU  HB-         3.50    (#   2719:25  Unique         2.46, 2.79 A)
 &rst
  ixpk= 2719, nxpk= 25, iat=1268,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1270,1271,
 &end
#
#    0 AMB  25-2:2721     0 AMB  25-1:2721   2.80    (#   2721:25  Double Ambig)
 &rst
  ixpk= 2721, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.71, r4= 6.46,
 igr1=2131,2132,2133,2135,2136,2137,1590,1591,1592,1594,
      1595,1596, 215, 216, 217, 219, 220, 221,
 igr2=1270,1271,1585,1586,
 &end
#
#    0 AMB  25-2:2722     0 AMB  25-1:2722   2.80    (#   2722:25  Double Ambig)
 &rst
  ixpk= 2722, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=1275,1276,1277,1279,1280,1281,1561,1562,1563,
 igr2=1270,1271,1585,1586,
 &end
#
#   83 LEU  HA           83 LEU  HG          2.80    (#   2724:25  Unique         2.17, 2.57 A)
 &rst
  ixpk= 2724, nxpk= 25, iat=1268,1273, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   83 LEU  HN           83 LEU  HG          5.50    (#   2725:25  Unique         4.53, 4.63 A)
 &rst
  ixpk= 2725, nxpk= 25, iat=1266,1273, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   84 LEU  HN           83 LEU  HG          4.50    (#   2726:25  Unique         2.26, 2.89 A)
 &rst
  ixpk= 2726, nxpk= 25, iat=1285,1273, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:2727     0 AMB  25-1:2727   3.50    (#   2727:25  Double Ambig)
 &rst
  ixpk= 2727, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.43, r4= 6.18,
 igr1=1268,1287,
 igr2=1275,1276,1277,1279,1280,1281,1292,
 &end
#
#    0 AMB  25-2:2728     0 AMB  25-1:2728   3.50    (#   2728:25  Double Ambig)
 &rst
  ixpk= 2728, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.81, r4= 6.56,
 igr1= 263,1497,2048,
 igr2=1292,1275,1276,1277,1279,1280,1281,
 &end
#
#   83 LEU  HB+          83 LEU  MDX         2.80    (#   2729:25  Unique         2.38, 3.31 A)
 &rst
  ixpk= 2729, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1270,1271,
 igr2=1275,1276,1277,1279,1280,1281,
 &end
#
#   83 LEU  HB+          83 LEU  MDY         2.80    (#   2730:25  Unique         2.38, 3.31 A)
 &rst
  ixpk= 2730, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1270,1271,
 igr2=1275,1276,1277,1279,1280,1281,
 &end
#
#  132 LEU  HA           83 LEU  MDY         2.80    (#   2731:25  Unique         2.11, 4.04 A)
 &rst
  ixpk= 2731, nxpk= 25, iat=2005,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1275,1276,1277,1279,1280,1281,
 &end
#
#    0 AMB  25-2:2732    83 LEU  MDY         5.50    (#   2732:25  Single Ambig)
 &rst
  ixpk= 2732, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1497,2048,
 igr2=1275,1276,1277,1279,1280,1281,
 &end
#
#   14 VAL  HA           83 LEU  MDY         5.50    (#   2734:25  Unique         3.99, 5.53 A)
 &rst
  ixpk= 2734, nxpk= 25, iat= 211,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1275,1276,1277,1279,1280,1281,
 &end
#
#   83 LEU  HN           83 LEU  MDY         4.50    (#   2737:25  Unique         4.77, 5.51 A)
 &rst
  ixpk= 2737, nxpk= 25, iat=1266,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1275,1276,1277,1279,1280,1281,
 &end
#
#  101 ILE  HN           64 ALA  MB          4.50    (#   2738:25  Unique         4.12, 5.18 A)
 &rst
  ixpk= 2738, nxpk= 25, iat=1555,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 998, 999,1000,
 &end
#
#   84 LEU  HN           83 LEU  MDY         2.80    (#   2739:25  Unique         2.30, 4.50 A)
 &rst
  ixpk= 2739, nxpk= 25, iat=1285,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1275,1276,1277,1279,1280,1281,
 &end
#
#   85 GLU  HN           84 LEU  HA          2.80    (#   2741:25  Unique         2.10, 2.18 A)
 &rst
  ixpk= 2741, nxpk= 25, iat=1304,1287, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   86 GLN  HN           84 LEU  HA          4.50    (#   2742:25  Unique         3.55, 3.71 A)
 &rst
  ixpk= 2742, nxpk= 25, iat=1319,1287, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:2745    84 LEU  HA          4.50    (#   2745:25  Single Ambig)
 &rst
  ixpk= 2745, nxpk= 25, iat=  -1,1287, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 246, 227,
 &end
#
#    0 AMB  25-2:2746    84 LEU  HA          4.50    (#   2746:25  Single Ambig)
 &rst
  ixpk= 2746, nxpk= 25, iat=  -1,1287, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1306,1256,
 &end
#
#   85 GLU  HB+          84 LEU  HA          5.50    (#   2747:25  Unique         4.34, 5.12 A)
 &rst
  ixpk= 2747, nxpk= 25, iat=  -1,1287, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1308,1309,
 &end
#
#   85 GLU  HG+          84 LEU  HA          4.50    (#   2748:25  Unique         3.87, 4.65 A)
 &rst
  ixpk= 2748, nxpk= 25, iat=  -1,1287, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1311,1312,
 &end
#
#    0 AMB  25-2:2749    84 LEU  HA          4.50    (#   2749:25  Single Ambig)
 &rst
  ixpk= 2749, nxpk= 25, iat=  -1,1287, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1311,1312,1308,1309,
 &end
#
#   84 LEU  HB-          84 LEU  HA          2.80    (#   2750:25  Unique         2.42, 2.85 A)
 &rst
  ixpk= 2750, nxpk= 25, iat=  -1,1287, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1289,1290,
 &end
#
#   84 LEU  HB+          84 LEU  HA          2.80    (#   2751:25  Unique         2.42, 2.85 A)
 &rst
  ixpk= 2751, nxpk= 25, iat=  -1,1287, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1289,1290,
 &end
#
#   84 LEU  MDX          84 LEU  HA          2.80    (#   2752:25  Unique         2.04, 3.56 A)
 &rst
  ixpk= 2752, nxpk= 25, iat=  -1,1287, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1294,1295,1296,1298,1299,1300,
 &end
#
#   15 ILE  QD1          84 LEU  HA          5.50    (#   2753:25  Unique         5.22, 6.22 A)
 &rst
  ixpk= 2753, nxpk= 25, iat=  -1,1287, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 238, 239, 240,
 &end
#
#    0 AMB  25-2:2757     0 AMB  25-1:2757   2.80    (#   2757:25  Double Ambig)
 &rst
  ixpk= 2757, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.88, r4= 5.63,
 igr1=1292,1545,1546,1547,1549,1550,1551,
 igr2=1289,1290,1289,1290,
 &end
#
#    0 AMB  25-2:2758     0 AMB  25-1:2758   2.80    (#   2758:25  Double Ambig)
 &rst
  ixpk= 2758, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.11, r4= 6.86,
 igr1=1784,1785,1786,1788,1789,1790,2012,2013,2014,2016,
      2017,2018,2012,2013,2014,2016,2017,2018,
 igr2=1779,1780,2007,2008,2007,2008,
 &end
#
#   84 LEU  MDX          84 LEU  HB+         3.50    (#   2759:25  Unique         2.25, 3.41 A)
 &rst
  ixpk= 2759, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1294,1295,1296,1298,1299,1300,
 igr2=1289,1290,
 &end
#
#   98 LYS  HA           84 LEU  HB-         3.50    (#   2760:25  Unique         2.09, 3.05 A)
 &rst
  ixpk= 2760, nxpk= 25, iat=1497,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1289,1290,
 &end
#
#    0 AMB  25-2:2761     0 AMB  25-1:2761   4.50    (#   2761:25  Double Ambig)
 &rst
  ixpk= 2761, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1497, 263,
 igr2=1289,1290,1289,1290,
 &end
#
#   84 LEU  HA           84 LEU  HB-         3.50    (#   2762:25  Unique         2.42, 2.85 A)
 &rst
  ixpk= 2762, nxpk= 25, iat=1287,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1289,1290,
 &end
#
#   84 LEU  HA           84 LEU  HB+         3.50    (#   2763:25  Unique         2.42, 2.85 A)
 &rst
  ixpk= 2763, nxpk= 25, iat=1287,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1289,1290,
 &end
#
#   86 GLN  HN           84 LEU  HB-         4.50    (#   2764:25  Unique         3.07, 4.26 A)
 &rst
  ixpk= 2764, nxpk= 25, iat=1319,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1289,1290,
 &end
#
#   86 GLN  HN           84 LEU  HB+         4.50    (#   2765:25  Unique         3.07, 4.26 A)
 &rst
  ixpk= 2765, nxpk= 25, iat=1319,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1289,1290,
 &end
#
#   85 GLU  HN           84 LEU  HB-         4.50    (#   2766:25  Unique         3.64, 4.30 A)
 &rst
  ixpk= 2766, nxpk= 25, iat=1304,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1289,1290,
 &end
#
#   85 GLU  HN           84 LEU  HB+         4.50    (#   2767:25  Unique         3.64, 4.30 A)
 &rst
  ixpk= 2767, nxpk= 25, iat=1304,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1289,1290,
 &end
#
#   84 LEU  HN           84 LEU  HB-         3.50    (#   2768:25  Unique         2.42, 3.05 A)
 &rst
  ixpk= 2768, nxpk= 25, iat=1285,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1289,1290,
 &end
#
#   84 LEU  HN           84 LEU  HB+         4.50    (#   2769:25  Unique         2.42, 3.05 A)
 &rst
  ixpk= 2769, nxpk= 25, iat=1285,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1289,1290,
 &end
#
#  100 LEU  HN          100 LEU  MDX         2.80    (#   2770:25  Unique         2.36, 4.49 A)
 &rst
  ixpk= 2770, nxpk= 25, iat=1536,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1545,1546,1547,1549,1550,1551,
 &end
#
#   88 VAL  HN            0 AMB  25-1:2771   4.50    (#   2771:25  Single Ambig)
 &rst
  ixpk= 2771, nxpk= 25, iat=1343,  -1, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
 igr2=1292,1545,1546,1547,1549,1550,1551,
 &end
#
#   83 LEU  HN            0 AMB  25-1:2772   4.50    (#   2772:25  Single Ambig)
 &rst
  ixpk= 2772, nxpk= 25, iat=1266,  -1, r1= 0.00, r2= 1.80, r3= 6.90, r4= 7.65,
 igr2=1275,1276,1277,1279,1280,1281,1545,1546,1547,1549,
      1550,1551,1292,
 &end
#
#   15 ILE  QD1          84 LEU  MDX         3.50    (#   2775:25  Unique         2.62, 5.48 A)
 &rst
  ixpk= 2775, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 238, 239, 240,
 igr2=1294,1295,1296,1298,1299,1300,
 &end
#
#   37 TYR  HB-          32 LEU  MDX         5.50    (#   2776:25  Unique         2.55, 4.36 A)
 &rst
  ixpk= 2776, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 578, 579,
 igr2= 497, 498, 499, 501, 502, 503,
 &end
#
#   17 SER  HA           84 LEU  MDX         3.50    (#   2779:25  Unique         2.19, 4.60 A)
 &rst
  ixpk= 2779, nxpk= 25, iat= 263,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1294,1295,1296,1298,1299,1300,
 &end
#
#   84 LEU  HA           84 LEU  MDX         2.80    (#   2781:25  Unique         2.04, 3.56 A)
 &rst
  ixpk= 2781, nxpk= 25, iat=1287,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1294,1295,1296,1298,1299,1300,
 &end
#
#   85 GLU  HN           84 LEU  MDX         4.50    (#   2783:25  Unique         3.11, 5.38 A)
 &rst
  ixpk= 2783, nxpk= 25, iat=1304,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1294,1295,1296,1298,1299,1300,
 &end
#
#   15 ILE  HN           84 LEU  MDX         4.50    (#   2784:25  Unique         3.24, 5.50 A)
 &rst
  ixpk= 2784, nxpk= 25, iat= 225,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1294,1295,1296,1298,1299,1300,
 &end
#
#    0 AMB  25-2:2785    84 LEU  MDX         3.50    (#   2785:25  Single Ambig)
 &rst
  ixpk= 2785, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 272,1285,
 igr2=1294,1295,1296,1298,1299,1300,
 &end
#
#   85 GLU  HN           85 GLU  HA          2.80    (#   2786:25  Unique         2.76, 2.80 A)
 &rst
  ixpk= 2786, nxpk= 25, iat=1304,1306, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   86 GLN  HN           85 GLU  HA          3.50    (#   2787:25  Unique         3.43, 3.49 A)
 &rst
  ixpk= 2787, nxpk= 25, iat=1319,1306, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:2788    85 GLU  HA          4.50    (#   2788:25  Single Ambig)
 &rst
  ixpk= 2788, nxpk= 25, iat=  -1,1306, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1287,1268,
 &end
#
#   84 LEU  HA           85 GLU  HB+         5.50    (#   2789:25  Unique         4.34, 5.12 A)
 &rst
  ixpk= 2789, nxpk= 25, iat=1287,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1308,1309,
 &end
#
#   16 HIS  HA           85 GLU  HB+         3.50    (#   2792:25  Unique         2.08, 3.09 A)
 &rst
  ixpk= 2792, nxpk= 25, iat= 246,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1308,1309,
 &end
#
#    0 AMB  25-2:2793     0 AMB  25-1:2793   3.50    (#   2793:25  Double Ambig)
 &rst
  ixpk= 2793, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 627,1306,
 igr2= 629, 630,1308,1309,
 &end
#
#   14 VAL  MGX          85 GLU  HG+         3.50    (#   2794:25  Unique         2.62, 5.34 A)
 &rst
  ixpk= 2794, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 215, 216, 217, 219, 220, 221,
 igr2=1311,1312,
 &end
#
#   85 GLU  HA           85 GLU  HG+         2.80    (#   2795:25  Unique         2.48, 2.92 A)
 &rst
  ixpk= 2795, nxpk= 25, iat=1306,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1311,1312,
 &end
#
#   16 HIS  HA           85 GLU  HG+         3.50    (#   2797:25  Unique         2.83, 3.84 A)
 &rst
  ixpk= 2797, nxpk= 25, iat= 246,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1311,1312,
 &end
#
#    0 AMB  25-2:2798     0 AMB  25-1:2798   5.50    (#   2798:25  Double Ambig)
 &rst
  ixpk= 2798, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1287,1268,
 igr2=1311,1312,1311,1312,
 &end
#
#   85 GLU  HN           85 GLU  HG+         3.50    (#   2799:25  Unique         2.07, 2.78 A)
 &rst
  ixpk= 2799, nxpk= 25, iat=1304,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1311,1312,
 &end
#
#  126 GLU  HN          126 GLU  HG+         2.80    (#   2800:25  Unique         2.10, 2.76 A)
 &rst
  ixpk= 2800, nxpk= 25, iat=1899,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1906,1907,
 &end
#
#   85 GLU  HN           85 GLU  HG-         3.50    (#   2801:25  Unique         2.07, 2.78 A)
 &rst
  ixpk= 2801, nxpk= 25, iat=1304,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1311,1312,
 &end
#
#   86 GLN  HN           85 GLU  HG-         4.50    (#   2802:25  Unique         4.31, 4.87 A)
 &rst
  ixpk= 2802, nxpk= 25, iat=1319,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1311,1312,
 &end
#
#    0 AMB  25-2:2803    85 GLU  HG-         5.50    (#   2803:25  Single Ambig)
 &rst
  ixpk= 2803, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1287,1268,
 igr2=1311,1312,
 &end
#
#   16 HIS  HA           85 GLU  HG-         3.50    (#   2804:25  Unique         2.83, 3.84 A)
 &rst
  ixpk= 2804, nxpk= 25, iat= 246,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1311,1312,
 &end
#
#   98 LYS  HG-          86 GLN  HA          5.50    (#   2806:25  Unique         3.33, 5.11 A)
 &rst
  ixpk= 2806, nxpk= 25, iat=  -1,1321, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1502,1503,
 &end
#
#   86 GLN  HB+          86 GLN  HA          2.80    (#   2807:25  Unique         2.38, 2.73 A)
 &rst
  ixpk= 2807, nxpk= 25, iat=  -1,1321, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1323,1324,
 &end
#
#   86 GLN  HB-          86 GLN  HA          2.80    (#   2808:25  Unique         2.38, 2.73 A)
 &rst
  ixpk= 2808, nxpk= 25, iat=  -1,1321, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1323,1324,
 &end
#
#   86 GLN  HG+          86 GLN  HA          2.80    (#   2809:25  Unique         2.46, 3.08 A)
 &rst
  ixpk= 2809, nxpk= 25, iat=  -1,1321, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1326,1327,
 &end
#
#    0 AMB  25-2:2810    86 GLN  HA          4.50    (#   2810:25  Single Ambig)
 &rst
  ixpk= 2810, nxpk= 25, iat=  -1,1321, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1338,1339,1508,1509,
 &end
#
#   87 GLY  HA+          86 GLN  HA          5.50    (#   2812:25  Unique         4.19, 4.62 A)
 &rst
  ixpk= 2812, nxpk= 25, iat=  -1,1321, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1338,1339,
 &end
#
#   86 GLN  HN           86 GLN  HA          3.50    (#   2813:25  Unique         2.95, 2.98 A)
 &rst
  ixpk= 2813, nxpk= 25, iat=1319,1321, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   87 GLY  HN           86 GLN  HA          3.50    (#   2814:25  Unique         2.18, 2.67 A)
 &rst
  ixpk= 2814, nxpk= 25, iat=1336,1321, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   18 ALA  HN           86 GLN  HB-         5.50    (#   2815:25  Unique         4.29, 5.58 A)
 &rst
  ixpk= 2815, nxpk= 25, iat= 272,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1323,1324,
 &end
#
#   18 ALA  HN           86 GLN  HB+         5.50    (#   2816:25  Unique         4.29, 5.58 A)
 &rst
  ixpk= 2816, nxpk= 25, iat= 272,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1323,1324,
 &end
#
#   87 GLY  HN           86 GLN  HB-         4.50    (#   2817:25  Unique         3.32, 4.17 A)
 &rst
  ixpk= 2817, nxpk= 25, iat=1336,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1323,1324,
 &end
#
#   87 GLY  HN           86 GLN  HB+         4.50    (#   2818:25  Unique         3.32, 4.17 A)
 &rst
  ixpk= 2818, nxpk= 25, iat=1336,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1323,1324,
 &end
#
#   86 GLN  HN           86 GLN  HB-         2.80    (#   2819:25  Unique         2.43, 3.27 A)
 &rst
  ixpk= 2819, nxpk= 25, iat=1319,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1323,1324,
 &end
#
#   86 GLN  HN           86 GLN  HB+         2.80    (#   2820:25  Unique         2.43, 3.27 A)
 &rst
  ixpk= 2820, nxpk= 25, iat=1319,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1323,1324,
 &end
#
#   86 GLN  HA           86 GLN  HB-         2.80    (#   2821:25  Unique         2.38, 2.73 A)
 &rst
  ixpk= 2821, nxpk= 25, iat=1321,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1323,1324,
 &end
#
#   86 GLN  HA           86 GLN  HB+         2.80    (#   2822:25  Unique         2.38, 2.73 A)
 &rst
  ixpk= 2822, nxpk= 25, iat=1321,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1323,1324,
 &end
#
#   17 SER  HB-          86 GLN  HB+         3.50    (#   2824:25  Unique         2.06, 3.99 A)
 &rst
  ixpk= 2824, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 265, 266,
 igr2=1323,1324,
 &end
#
#   86 GLN  HB+          86 GLN  HG+         2.80    (#   2825:25  Unique         2.31, 2.72 A)
 &rst
  ixpk= 2825, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1323,1324,
 igr2=1326,1327,
 &end
#
#   86 GLN  HB-          86 GLN  HG+         2.80    (#   2826:25  Unique         2.31, 2.72 A)
 &rst
  ixpk= 2826, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1323,1324,
 igr2=1326,1327,
 &end
#
#   17 SER  HB-          86 GLN  HG+         4.50    (#   2827:25  Unique         3.25, 5.32 A)
 &rst
  ixpk= 2827, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 265, 266,
 igr2=1326,1327,
 &end
#
#   17 SER  HB+          86 GLN  HG+         4.50    (#   2828:25  Unique         3.25, 5.32 A)
 &rst
  ixpk= 2828, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 265, 266,
 igr2=1326,1327,
 &end
#
#   86 GLN  HA           86 GLN  HG+         3.50    (#   2829:25  Unique         2.46, 3.08 A)
 &rst
  ixpk= 2829, nxpk= 25, iat=1321,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1326,1327,
 &end
#
#   17 SER  HA           86 GLN  HG+         4.50    (#   2830:25  Unique         4.26, 5.13 A)
 &rst
  ixpk= 2830, nxpk= 25, iat= 263,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1326,1327,
 &end
#
#   86 GLN  HN           86 GLN  HG+         3.50    (#   2833:25  Unique         2.61, 3.40 A)
 &rst
  ixpk= 2833, nxpk= 25, iat=1319,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1326,1327,
 &end
#
#   87 GLY  HN           86 GLN  HG+         4.50    (#   2834:25  Unique         4.57, 5.05 A)
 &rst
  ixpk= 2834, nxpk= 25, iat=1336,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1326,1327,
 &end
#
#   97 ILE  HN           87 GLY  HA+         4.50    (#   2835:25  Unique         2.16, 3.31 A)
 &rst
  ixpk= 2835, nxpk= 25, iat=1476,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1338,1339,
 &end
#
#   97 ILE  HN           87 GLY  HA-         5.50    (#   2836:25  Unique         2.16, 3.31 A)
 &rst
  ixpk= 2836, nxpk= 25, iat=1476,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1338,1339,
 &end
#
#    0 AMB  25-2:2837    87 GLY  HA-         2.80    (#   2837:25  Single Ambig)
 &rst
  ixpk= 2837, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1343,1336,
 igr2=1338,1339,
 &end
#
#   88 VAL  HN           87 GLY  HA+         2.80    (#   2838:25  Unique         2.04, 2.58 A)
 &rst
  ixpk= 2838, nxpk= 25, iat=1343,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1338,1339,
 &end
#
#   98 LYS  HA           87 GLY  HA+         4.50    (#   2839:25  Unique         2.47, 3.94 A)
 &rst
  ixpk= 2839, nxpk= 25, iat=1497,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1338,1339,
 &end
#
#    0 AMB  25-2:2842     0 AMB  25-1:2842   4.50    (#   2842:25  Double Ambig)
 &rst
  ixpk= 2842, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1347,1499,1500,
 igr2=1338,1339,1338,1339,
 &end
#
#   84 LEU  HB-          87 GLY  HA+         4.50    (#   2843:25  Unique         1.96, 3.56 A)
 &rst
  ixpk= 2843, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1289,1290,
 igr2=1338,1339,
 &end
#
#    0 AMB  25-2:2844     0 AMB  25-1:2844   4.50    (#   2844:25  Double Ambig)
 &rst
  ixpk= 2844, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1=1289,1290,1502,1503,
 igr2=1338,1339,1338,1339,
 &end
#
#   96 PRO  HB-          87 GLY  HA+         4.50    (#   2845:25  Unique         2.06, 3.46 A)
 &rst
  ixpk= 2845, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1469,1470,
 igr2=1338,1339,
 &end
#
#    0 AMB  25-2:2846     0 AMB  25-1:2846   3.50    (#   2846:25  Double Ambig)
 &rst
  ixpk= 2846, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1469,1470,1292,
 igr2=1338,1339,1338,1339,
 &end
#
#    0 AMB  25-2:2847    87 GLY  HA-         3.50    (#   2847:25  Single Ambig)
 &rst
  ixpk= 2847, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1469,1470,1292,
 igr2=1338,1339,
 &end
#
#   96 PRO  HB-          87 GLY  HA-         3.50    (#   2848:25  Unique         2.06, 3.46 A)
 &rst
  ixpk= 2848, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1469,1470,
 igr2=1338,1339,
 &end
#
#    0 AMB  25-2:2849    87 GLY  HA-         4.50    (#   2849:25  Single Ambig)
 &rst
  ixpk= 2849, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1289,1290,1502,1503,
 igr2=1338,1339,
 &end
#
#   96 PRO  HG-          87 GLY  HA-         4.50    (#   2850:25  Unique         2.26, 5.11 A)
 &rst
  ixpk= 2850, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1466,1467,
 igr2=1338,1339,
 &end
#
#   84 LEU  HB-          87 GLY  HA-         4.50    (#   2851:25  Unique         1.96, 3.56 A)
 &rst
  ixpk= 2851, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1289,1290,
 igr2=1338,1339,
 &end
#
#    0 AMB  25-2:2852    87 GLY  HA-         5.50    (#   2852:25  Single Ambig)
 &rst
  ixpk= 2852, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1347,1499,1500,
 igr2=1338,1339,
 &end
#
#   97 ILE  HB           87 GLY  HA-         5.50    (#   2853:25  Unique         3.46, 4.59 A)
 &rst
  ixpk= 2853, nxpk= 25, iat=1480,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1338,1339,
 &end
#
#   86 GLN  HA           87 GLY  HA-         4.50    (#   2856:25  Unique         4.19, 4.62 A)
 &rst
  ixpk= 2856, nxpk= 25, iat=1321,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1338,1339,
 &end
#
#   98 LYS  HA           87 GLY  HA-         4.50    (#   2857:25  Unique         2.47, 3.94 A)
 &rst
  ixpk= 2857, nxpk= 25, iat=1497,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1338,1339,
 &end
#
#   84 LEU  MDX          88 VAL  HB          4.50    (#   2864:25  Unique         2.25, 5.26 A)
 &rst
  ixpk= 2864, nxpk= 25, iat=  -1,1347, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1294,1295,1296,1298,1299,1300,
 &end
#
#   88 VAL  MGY          88 VAL  HB          2.80    (#   2865:25  Unique         2.24, 2.63 A)
 &rst
  ixpk= 2865, nxpk= 25, iat=  -1,1347, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1349,1350,1351,1353,1354,1355,
 &end
#
#   88 VAL  MGX          88 VAL  HB          2.80    (#   2866:25  Unique         2.24, 2.63 A)
 &rst
  ixpk= 2866, nxpk= 25, iat=  -1,1347, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1349,1350,1351,1353,1354,1355,
 &end
#
#   18 ALA  MB           88 VAL  HB          3.50    (#   2867:25  Unique         2.19, 3.83 A)
 &rst
  ixpk= 2867, nxpk= 25, iat=  -1,1347, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 276, 277, 278,
 &end
#
#   21 TRP  HA           88 VAL  HB          5.50    (#   2869:25  Unique         2.78, 4.04 A)
 &rst
  ixpk= 2869, nxpk= 25, iat= 318,1347, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   20 ASP  HA           88 VAL  HB          5.50    (#   2871:25  Unique         3.58, 4.88 A)
 &rst
  ixpk= 2871, nxpk= 25, iat= 306,1347, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   21 TRP  HN           88 VAL  HB          5.50    (#   2874:25  Unique         3.55, 5.26 A)
 &rst
  ixpk= 2874, nxpk= 25, iat= 316,1347, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   88 VAL  HN           88 VAL  HB          3.50    (#   2875:25  Unique         2.53, 3.15 A)
 &rst
  ixpk= 2875, nxpk= 25, iat=1343,1347, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   89 TYR  HN           88 VAL  HB          4.50    (#   2876:25  Unique         2.04, 3.43 A)
 &rst
  ixpk= 2876, nxpk= 25, iat=1359,1347, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   18 ALA  HN           88 VAL  HB          4.50    (#   2877:25  Unique         2.59, 3.59 A)
 &rst
  ixpk= 2877, nxpk= 25, iat= 272,1347, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   97 ILE  HN           88 VAL  MGX         5.50    (#   2878:25  Unique         5.44, 6.91 A)
 &rst
  ixpk= 2878, nxpk= 25, iat=1476,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1349,1350,1351,1353,1354,1355,
 &end
#
#   88 VAL  HN           88 VAL  MGX         2.80    (#   2880:25  Unique         2.63, 4.25 A)
 &rst
  ixpk= 2880, nxpk= 25, iat=1343,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1349,1350,1351,1353,1354,1355,
 &end
#
#   20 ASP  HN           88 VAL  MGX         4.50    (#   2884:25  Unique         3.17, 5.08 A)
 &rst
  ixpk= 2884, nxpk= 25, iat= 304,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1349,1350,1351,1353,1354,1355,
 &end
#
#   21 TRP  HA           88 VAL  MGX         4.50    (#   2889:25  Unique         2.15, 4.63 A)
 &rst
  ixpk= 2889, nxpk= 25, iat= 318,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1349,1350,1351,1353,1354,1355,
 &end
#
#   21 TRP  HB+          88 VAL  MGX         5.50    (#   2890:25  Unique         2.50, 5.97 A)
 &rst
  ixpk= 2890, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 320, 321,
 igr2=1349,1350,1351,1353,1354,1355,
 &end
#
#   88 VAL  HB           88 VAL  MGX         2.80    (#   2891:25  Unique         2.24, 2.63 A)
 &rst
  ixpk= 2891, nxpk= 25, iat=1347,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1349,1350,1351,1353,1354,1355,
 &end
#
#   86 GLN  HB-          88 VAL  MGX         4.50    (#   2892:25  Unique         3.76, 6.77 A)
 &rst
  ixpk= 2892, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1323,1324,
 igr2=1349,1350,1351,1353,1354,1355,
 &end
#
#   24 ALA  MB           88 VAL  MGX         2.80    (#   2893:25  Unique         2.22, 4.83 A)
 &rst
  ixpk= 2893, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 376, 377, 378,
 igr2=1349,1350,1351,1353,1354,1355,
 &end
#
#   18 ALA  MB           88 VAL  MGY         2.80    (#   2894:25  Unique         2.10, 4.45 A)
 &rst
  ixpk= 2894, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 276, 277, 278,
 igr2=1349,1350,1351,1353,1354,1355,
 &end
#
#   24 ALA  MB           88 VAL  MGY         2.80    (#   2895:25  Unique         2.22, 4.83 A)
 &rst
  ixpk= 2895, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 376, 377, 378,
 igr2=1349,1350,1351,1353,1354,1355,
 &end
#
#   88 VAL  HB           88 VAL  MGY         2.80    (#   2896:25  Unique         2.24, 2.63 A)
 &rst
  ixpk= 2896, nxpk= 25, iat=1347,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1349,1350,1351,1353,1354,1355,
 &end
#
#   21 TRP  HB+          88 VAL  MGY         4.50    (#   2897:25  Unique         2.50, 5.97 A)
 &rst
  ixpk= 2897, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 320, 321,
 igr2=1349,1350,1351,1353,1354,1355,
 &end
#
#    0 AMB  25-2:2898    88 VAL  MGY         4.50    (#   2898:25  Single Ambig)
 &rst
  ixpk= 2898, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1=1363,1364, 308, 309,
 igr2=1349,1350,1351,1353,1354,1355,
 &end
#
#    0 AMB  25-2:2899    88 VAL  MGY         5.50    (#   2899:25  Single Ambig)
 &rst
  ixpk= 2899, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1=1338,1339, 308, 309,
 igr2=1349,1350,1351,1353,1354,1355,
 &end
#
#   21 TRP  HA           88 VAL  MGY         4.50    (#   2900:25  Unique         2.15, 4.63 A)
 &rst
  ixpk= 2900, nxpk= 25, iat= 318,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1349,1350,1351,1353,1354,1355,
 &end
#
#   20 ASP  HA           88 VAL  MGY         3.50    (#   2901:25  Unique         2.51, 4.36 A)
 &rst
  ixpk= 2901, nxpk= 25, iat= 306,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1349,1350,1351,1353,1354,1355,
 &end
#
#   20 ASP  HN           88 VAL  MGY         4.50    (#   2904:25  Unique         3.17, 5.08 A)
 &rst
  ixpk= 2904, nxpk= 25, iat= 304,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1349,1350,1351,1353,1354,1355,
 &end
#
#   21 TRP  HN           88 VAL  MGY         4.50    (#   2905:25  Unique         3.00, 5.12 A)
 &rst
  ixpk= 2905, nxpk= 25, iat= 316,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1349,1350,1351,1353,1354,1355,
 &end
#
#   88 VAL  HN           88 VAL  MGY         4.50    (#   2906:25  Unique         2.63, 4.25 A)
 &rst
  ixpk= 2906, nxpk= 25, iat=1343,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1349,1350,1351,1353,1354,1355,
 &end
#
#   89 TYR  HN           88 VAL  MGY         3.50    (#   2907:25  Unique         1.89, 4.35 A)
 &rst
  ixpk= 2907, nxpk= 25, iat=1359,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1349,1350,1351,1353,1354,1355,
 &end
#
#   89 TYR  HN           89 TYR  HA          3.50    (#   2910:25  Unique         2.20, 2.71 A)
 &rst
  ixpk= 2910, nxpk= 25, iat=1359,1361, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   89 TYR  HB+          89 TYR  HA          3.50    (#   2915:25  Unique         2.30, 2.76 A)
 &rst
  ixpk= 2915, nxpk= 25, iat=  -1,1361, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1363,1364,
 &end
#
#   89 TYR  HB-          89 TYR  HA          4.50    (#   2917:25  Unique         2.30, 2.76 A)
 &rst
  ixpk= 2917, nxpk= 25, iat=  -1,1361, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1363,1364,
 &end
#
#   89 TYR  HA           89 TYR  HB+         3.50    (#   2920:25  Unique         2.30, 2.76 A)
 &rst
  ixpk= 2920, nxpk= 25, iat=1361,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1363,1364,
 &end
#
#   89 TYR  HA           89 TYR  HB-         3.50    (#   2921:25  Unique         2.30, 2.76 A)
 &rst
  ixpk= 2921, nxpk= 25, iat=1361,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1363,1364,
 &end
#
#   89 TYR  HD           89 TYR  HB+         4.50    (#   2922:25  Unique         2.30, 3.09 A)
 &rst
  ixpk= 2922, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1367,1376,
 igr2=1363,1364,
 &end
#
#   89 TYR  HD           89 TYR  HB-         4.50    (#   2924:25  Unique         2.30, 3.09 A)
 &rst
  ixpk= 2924, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1367,1376,
 igr2=1363,1364,
 &end
#
#   89 TYR  HN           89 TYR  HB+         3.50    (#   2926:25  Unique         2.09, 2.91 A)
 &rst
  ixpk= 2926, nxpk= 25, iat=1359,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1363,1364,
 &end
#
#   89 TYR  HN           89 TYR  HB-         3.50    (#   2927:25  Unique         2.09, 2.91 A)
 &rst
  ixpk= 2927, nxpk= 25, iat=1359,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1363,1364,
 &end
#
#   90 PHE  HN           89 TYR  HB+         4.50    (#   2928:25  Unique         2.15, 3.22 A)
 &rst
  ixpk= 2928, nxpk= 25, iat=1380,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1363,1364,
 &end
#
#   90 PHE  HN           89 TYR  HB-         4.50    (#   2929:25  Unique         2.15, 3.22 A)
 &rst
  ixpk= 2929, nxpk= 25, iat=1380,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1363,1364,
 &end
#
#   90 PHE  HN           90 PHE  HA          4.50    (#   2930:25  Unique         2.14, 2.84 A)
 &rst
  ixpk= 2930, nxpk= 25, iat=1380,1382, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   55 PRO  HD-          90 PHE  HA          4.50    (#   2931:25  Unique         2.33, 4.53 A)
 &rst
  ixpk= 2931, nxpk= 25, iat=  -1,1382, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 854, 855,
 &end
#
#   21 TRP  HB+          90 PHE  HA          4.50    (#   2932:25  Unique         2.41, 4.10 A)
 &rst
  ixpk= 2932, nxpk= 25, iat=  -1,1382, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 320, 321,
 &end
#
#   50 THR  MG2          90 PHE  HA          5.50    (#   2933:25  Unique         2.42, 3.46 A)
 &rst
  ixpk= 2933, nxpk= 25, iat=  -1,1382, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 791, 792, 793,
 &end
#
#   58 ILE  QD1          90 PHE  HB-         4.50    (#   2934:25  Unique         3.00, 5.18 A)
 &rst
  ixpk= 2934, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 922, 923, 924,
 igr2=1384,1385,
 &end
#
#   97 ILE  QD1          90 PHE  HB-         5.50    (#   2935:25  Unique         3.00, 5.68 A)
 &rst
  ixpk= 2935, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1489,1490,1491,
 igr2=1384,1385,
 &end
#
#   58 ILE  QD1          90 PHE  HB+         5.50    (#   2936:25  Unique         3.00, 5.18 A)
 &rst
  ixpk= 2936, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 922, 923, 924,
 igr2=1384,1385,
 &end
#
#   97 ILE  HG1+         90 PHE  HB-         5.50    (#   2937:25  Unique         2.29, 4.17 A)
 &rst
  ixpk= 2937, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1486,1487,
 igr2=1384,1385,
 &end
#
#   55 PRO  HB+          90 PHE  HB-         5.50    (#   2938:25  Unique         2.13, 4.19 A)
 &rst
  ixpk= 2938, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 860, 861,
 igr2=1384,1385,
 &end
#
#   97 ILE  HG1-         90 PHE  HB-         5.50    (#   2939:25  Unique         2.29, 4.17 A)
 &rst
  ixpk= 2939, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1486,1487,
 igr2=1384,1385,
 &end
#
#   55 PRO  HG-          90 PHE  HB-         5.50    (#   2940:25  Unique         2.16, 4.08 A)
 &rst
  ixpk= 2940, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 857, 858,
 igr2=1384,1385,
 &end
#
#   23 GLU  HG-          26 ASP  HB-         3.50    (#   2941:25  Unique         3.39, 5.14 A)
 &rst
  ixpk= 2941, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 364, 365,
 igr2= 405, 406,
 &end
#
#   90 PHE  HA           90 PHE  HB-         4.50    (#   2945:25  Unique         2.24, 2.70 A)
 &rst
  ixpk= 2945, nxpk= 25, iat=1382,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1384,1385,
 &end
#
#   90 PHE  HA           90 PHE  HB+         3.50    (#   2946:25  Unique         2.24, 2.70 A)
 &rst
  ixpk= 2946, nxpk= 25, iat=1382,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1384,1385,
 &end
#
#   90 PHE  HD           90 PHE  HB-         4.50    (#   2948:25  Unique         2.11, 3.09 A)
 &rst
  ixpk= 2948, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1388,1396,
 igr2=1384,1385,
 &end
#
#   89 TYR  HD           90 PHE  HB-         3.50    (#   2949:25  Unique         2.02, 5.41 A)
 &rst
  ixpk= 2949, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1367,1376,
 igr2=1384,1385,
 &end
#
#   90 PHE  HN           90 PHE  HB+         3.50    (#   2950:25  Unique         2.14, 3.10 A)
 &rst
  ixpk= 2950, nxpk= 25, iat=1380,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1384,1385,
 &end
#
#   90 PHE  HN           90 PHE  HB-         4.50    (#   2951:25  Unique         2.14, 3.10 A)
 &rst
  ixpk= 2951, nxpk= 25, iat=1380,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1384,1385,
 &end
#
#   91 PRO  HG+          91 PRO  HA          4.50    (#   2952:25  Unique         2.92, 3.93 A)
 &rst
  ixpk= 2952, nxpk= 25, iat=  -1,1410, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1404,1405,
 &end
#
#   91 PRO  HG-          91 PRO  HA          3.50    (#   2953:25  Unique         2.92, 3.93 A)
 &rst
  ixpk= 2953, nxpk= 25, iat=  -1,1410, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1404,1405,
 &end
#
#   91 PRO  HB-          91 PRO  HA          3.50    (#   2954:25  Unique         2.25, 2.55 A)
 &rst
  ixpk= 2954, nxpk= 25, iat=  -1,1410, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1407,1408,
 &end
#
#   91 PRO  HD+          91 PRO  HA          3.50    (#   2956:25  Unique         3.16, 3.74 A)
 &rst
  ixpk= 2956, nxpk= 25, iat=  -1,1410, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1401,1402,
 &end
#
#   93 ASN  HN           91 PRO  HA          4.50    (#   2959:25  Unique         3.38, 4.13 A)
 &rst
  ixpk= 2959, nxpk= 25, iat=1421,1410, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   92 GLY  HN           91 PRO  HB+         4.50    (#   2961:25  Unique         3.00, 4.00 A)
 &rst
  ixpk= 2961, nxpk= 25, iat=1414,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1407,1408,
 &end
#
#   92 GLY  HN           91 PRO  HB-         5.50    (#   2962:25  Unique         3.00, 4.00 A)
 &rst
  ixpk= 2962, nxpk= 25, iat=1414,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1407,1408,
 &end
#
#   91 PRO  HA           91 PRO  HB+         2.80    (#   2963:25  Unique         2.25, 2.55 A)
 &rst
  ixpk= 2963, nxpk= 25, iat=1410,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1407,1408,
 &end
#
#   91 PRO  HA           91 PRO  HB-         3.50    (#   2964:25  Unique         2.25, 2.55 A)
 &rst
  ixpk= 2964, nxpk= 25, iat=1410,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1407,1408,
 &end
#
#   54 GLY  HA-          91 PRO  HB-         5.50    (#   2965:25  Unique         4.93, 6.47 A)
 &rst
  ixpk= 2965, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 848, 849,
 igr2=1407,1408,
 &end
#
#    0 AMB  25-2:2966    91 PRO  HB-         5.50    (#   2966:25  Single Ambig)
 &rst
  ixpk= 2966, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 854, 855, 318,
 igr2=1407,1408,
 &end
#
#   55 PRO  HD+          91 PRO  HB-         5.50    (#   2967:25  Unique         5.18, 6.79 A)
 &rst
  ixpk= 2967, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 854, 855,
 igr2=1407,1408,
 &end
#
#   55 PRO  HD+          91 PRO  HB+         5.50    (#   2968:25  Unique         5.18, 6.79 A)
 &rst
  ixpk= 2968, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 854, 855,
 igr2=1407,1408,
 &end
#
#   91 PRO  HG-          91 PRO  HB+         3.50    (#   2971:25  Unique         2.35, 2.64 A)
 &rst
  ixpk= 2971, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1404,1405,
 igr2=1407,1408,
 &end
#
#   91 PRO  HG+          91 PRO  HB+         3.50    (#   2972:25  Unique         2.35, 2.64 A)
 &rst
  ixpk= 2972, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1404,1405,
 igr2=1407,1408,
 &end
#
#   91 PRO  HG+          91 PRO  HB-         3.50    (#   2973:25  Unique         2.35, 2.64 A)
 &rst
  ixpk= 2973, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1404,1405,
 igr2=1407,1408,
 &end
#
#   50 THR  MG2          91 PRO  HB+         5.50    (#   2974:25  Unique         4.64, 6.30 A)
 &rst
  ixpk= 2974, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 791, 792, 793,
 igr2=1407,1408,
 &end
#
#   50 THR  MG2          91 PRO  HB-         5.50    (#   2975:25  Unique         4.64, 6.30 A)
 &rst
  ixpk= 2975, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 791, 792, 793,
 igr2=1407,1408,
 &end
#
#   91 PRO  HB+          91 PRO  HG-         2.80    (#   2976:25  Unique         2.35, 2.64 A)
 &rst
  ixpk= 2976, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1407,1408,
 igr2=1404,1405,
 &end
#
#   91 PRO  HD+          91 PRO  HG-         2.80    (#   2977:25  Unique         2.31, 2.62 A)
 &rst
  ixpk= 2977, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1401,1402,
 igr2=1404,1405,
 &end
#
#   91 PRO  HB+          91 PRO  HG+         2.80    (#   2978:25  Unique         2.35, 2.64 A)
 &rst
  ixpk= 2978, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1407,1408,
 igr2=1404,1405,
 &end
#
#   91 PRO  HD+          91 PRO  HG+         2.80    (#   2979:25  Unique         2.31, 2.62 A)
 &rst
  ixpk= 2979, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1401,1402,
 igr2=1404,1405,
 &end
#
#   55 PRO  HD+          91 PRO  HG+         5.50    (#   2980:25  Unique         3.74, 5.60 A)
 &rst
  ixpk= 2980, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 854, 855,
 igr2=1404,1405,
 &end
#
#   67 HIS  HB-         103 LEU  HG          5.50    (#   2981:25  Unique         5.33, 5.87 A)
 &rst
  ixpk= 2981, nxpk= 25, iat=  -1,1588, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1039,1040,
 &end
#
#   91 PRO  HA           91 PRO  HG+         4.50    (#   2983:25  Unique         2.92, 3.93 A)
 &rst
  ixpk= 2983, nxpk= 25, iat=1410,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1404,1405,
 &end
#
#   90 PHE  HA           91 PRO  HG-         4.50    (#   2984:25  Unique         3.80, 4.39 A)
 &rst
  ixpk= 2984, nxpk= 25, iat=1382,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1404,1405,
 &end
#
#   90 PHE  HA           91 PRO  HG+         4.50    (#   2985:25  Unique         3.80, 4.39 A)
 &rst
  ixpk= 2985, nxpk= 25, iat=1382,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1404,1405,
 &end
#
#    0 AMB  25-2:2986     0 AMB  25-1:2986   2.80    (#   2986:25  Double Ambig)
 &rst
  ixpk= 2986, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1235,1538,
 igr2=1565,1566,1543,
 &end
#
#    0 AMB  25-2:2987     0 AMB  25-1:2987   5.50    (#   2987:25  Double Ambig)
 &rst
  ixpk= 2987, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1252,1233,
 igr2=1565,1566,1565,1566,
 &end
#
#  104 SER  HN          103 LEU  HG          4.50    (#   2988:25  Unique         3.22, 3.53 A)
 &rst
  ixpk= 2988, nxpk= 25, iat=1600,1588, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  101 ILE  HN            0 AMB  25-1:2989   3.50    (#   2989:25  Single Ambig)
 &rst
  ixpk= 2989, nxpk= 25, iat=1555,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1565,1566,1543,
 &end
#
#   21 TRP  HE1          91 PRO  HG-         4.50    (#   2990:25  Unique         3.71, 4.91 A)
 &rst
  ixpk= 2990, nxpk= 25, iat= 326,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1404,1405,
 &end
#
#   21 TRP  HE1          91 PRO  HG+         4.50    (#   2991:25  Unique         3.71, 4.91 A)
 &rst
  ixpk= 2991, nxpk= 25, iat= 326,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1404,1405,
 &end
#
#   21 TRP  HE1          91 PRO  HD+         5.50    (#   2992:25  Unique         3.96, 5.56 A)
 &rst
  ixpk= 2992, nxpk= 25, iat= 326,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1401,1402,
 &end
#
#   90 PHE  HN           91 PRO  HD+         5.50    (#   2993:25  Unique         2.88, 4.27 A)
 &rst
  ixpk= 2993, nxpk= 25, iat=1380,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1401,1402,
 &end
#
#   21 TRP  HD1          91 PRO  HD+         4.50    (#   2994:25  Unique         3.29, 4.40 A)
 &rst
  ixpk= 2994, nxpk= 25, iat= 324,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1401,1402,
 &end
#
#   90 PHE  HD           91 PRO  HD+         4.50    (#   2995:25  Unique         3.07, 5.32 A)
 &rst
  ixpk= 2995, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1388,1396,
 igr2=1401,1402,
 &end
#
#   89 TYR  HD           91 PRO  HD+         5.50    (#   2998:25  Unique         4.88, 6.58 A)
 &rst
  ixpk= 2998, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1367,1376,
 igr2=1401,1402,
 &end
#
#   90 PHE  HA           91 PRO  HD+         2.80    (#   2999:25  Unique         1.91, 2.44 A)
 &rst
  ixpk= 2999, nxpk= 25, iat=1382,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1401,1402,
 &end
#
#   91 PRO  HA           91 PRO  HD+         5.50    (#   3000:25  Unique         3.16, 3.74 A)
 &rst
  ixpk= 3000, nxpk= 25, iat=1410,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1401,1402,
 &end
#
#   55 PRO  HD+          91 PRO  HD+         5.50    (#   3001:25  Unique         2.34, 5.20 A)
 &rst
  ixpk= 3001, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 854, 855,
 igr2=1401,1402,
 &end
#
#   90 PHE  HB+          91 PRO  HD+         4.50    (#   3002:25  Unique         2.21, 4.44 A)
 &rst
  ixpk= 3002, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1384,1385,
 igr2=1401,1402,
 &end
#
#   21 TRP  HB+          91 PRO  HD+         3.50    (#   3003:25  Unique         2.13, 3.47 A)
 &rst
  ixpk= 3003, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 320, 321,
 igr2=1401,1402,
 &end
#
#   91 PRO  HG-          91 PRO  HD+         2.80    (#   3004:25  Unique         2.31, 2.62 A)
 &rst
  ixpk= 3004, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1404,1405,
 igr2=1401,1402,
 &end
#
#   91 PRO  HB-          91 PRO  HD+         3.50    (#   3005:25  Unique         2.67, 3.65 A)
 &rst
  ixpk= 3005, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1407,1408,
 igr2=1401,1402,
 &end
#
#   91 PRO  HG+          91 PRO  HD+         3.50    (#   3006:25  Unique         2.31, 2.62 A)
 &rst
  ixpk= 3006, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1404,1405,
 igr2=1401,1402,
 &end
#
#   50 THR  MG2          91 PRO  HD+         3.50    (#   3007:25  Unique         2.18, 3.46 A)
 &rst
  ixpk= 3007, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 791, 792, 793,
 igr2=1401,1402,
 &end
#
#   92 GLY  HN           92 GLY  HA-         3.50    (#   3008:25  Unique         2.26, 2.69 A)
 &rst
  ixpk= 3008, nxpk= 25, iat=1414,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1416,1417,
 &end
#
#   92 GLY  HN           92 GLY  HA+         3.50    (#   3009:25  Unique         2.26, 2.69 A)
 &rst
  ixpk= 3009, nxpk= 25, iat=1414,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1416,1417,
 &end
#
#   93 ASN  HN           92 GLY  HA-         4.50    (#   3010:25  Unique         2.75, 3.34 A)
 &rst
  ixpk= 3010, nxpk= 25, iat=1421,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1416,1417,
 &end
#
#   93 ASN  HN           92 GLY  HA+         4.50    (#   3011:25  Unique         2.75, 3.34 A)
 &rst
  ixpk= 3011, nxpk= 25, iat=1421,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1416,1417,
 &end
#
#   93 ASN  HB+          93 ASN  HA          3.50    (#   3014:25  Unique         2.41, 2.82 A)
 &rst
  ixpk= 3014, nxpk= 25, iat=  -1,1423, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1425,1426,
 &end
#
#   93 ASN  HB-          93 ASN  HA          2.80    (#   3015:25  Unique         2.41, 2.82 A)
 &rst
  ixpk= 3015, nxpk= 25, iat=  -1,1423, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1425,1426,
 &end
#
#   94 ASP  HA           93 ASN  HA          4.50    (#   3016:25  Unique         4.15, 4.35 A)
 &rst
  ixpk= 3016, nxpk= 25, iat=1437,1423, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   93 ASN  HD2+         93 ASN  HA          4.50    (#   3018:25  Unique         2.26, 3.39 A)
 &rst
  ixpk= 3018, nxpk= 25, iat=  -1,1423, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1430,1431,
 &end
#
#   93 ASN  HN           93 ASN  HA          3.50    (#   3019:25  Unique         2.86, 2.94 A)
 &rst
  ixpk= 3019, nxpk= 25, iat=1421,1423, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   95 GLU  HN           93 ASN  HA          4.50    (#   3020:25  Unique         3.80, 4.36 A)
 &rst
  ixpk= 3020, nxpk= 25, iat=1447,1423, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   94 ASP  HN           93 ASN  HA          3.50    (#   3021:25  Unique         2.23, 2.48 A)
 &rst
  ixpk= 3021, nxpk= 25, iat=1435,1423, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   90 PHE  HN           93 ASN  HB-         5.50    (#   3022:25  Unique         3.53, 5.25 A)
 &rst
  ixpk= 3022, nxpk= 25, iat=1380,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1425,1426,
 &end
#
#   90 PHE  HN           93 ASN  HB+         5.50    (#   3023:25  Unique         3.53, 5.25 A)
 &rst
  ixpk= 3023, nxpk= 25, iat=1380,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1425,1426,
 &end
#
#   94 ASP  HN           93 ASN  HB+         5.50    (#   3024:25  Unique         2.73, 3.67 A)
 &rst
  ixpk= 3024, nxpk= 25, iat=1435,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1425,1426,
 &end
#
#   95 GLU  HN           93 ASN  HB+         5.50    (#   3025:25  Unique         2.56, 3.82 A)
 &rst
  ixpk= 3025, nxpk= 25, iat=1447,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1425,1426,
 &end
#
#   93 ASN  HN           93 ASN  HB-         3.50    (#   3027:25  Unique         2.38, 2.73 A)
 &rst
  ixpk= 3027, nxpk= 25, iat=1421,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1425,1426,
 &end
#
#   93 ASN  HN           93 ASN  HB+         3.50    (#   3028:25  Unique         2.38, 2.73 A)
 &rst
  ixpk= 3028, nxpk= 25, iat=1421,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1425,1426,
 &end
#
#   93 ASN  HD2+         93 ASN  HB+         3.50    (#   3029:25  Unique         2.20, 3.41 A)
 &rst
  ixpk= 3029, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1430,1431,
 igr2=1425,1426,
 &end
#
#   93 ASN  HD2+         93 ASN  HB-         3.50    (#   3030:25  Unique         2.20, 3.41 A)
 &rst
  ixpk= 3030, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1430,1431,
 igr2=1425,1426,
 &end
#
#   93 ASN  HA           93 ASN  HB-         3.50    (#   3031:25  Unique         2.41, 2.82 A)
 &rst
  ixpk= 3031, nxpk= 25, iat=1423,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1425,1426,
 &end
#
#   93 ASN  HA           93 ASN  HB+         3.50    (#   3032:25  Unique         2.41, 2.82 A)
 &rst
  ixpk= 3032, nxpk= 25, iat=1423,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1425,1426,
 &end
#
#   55 PRO  HG-          93 ASN  HB+         5.50    (#   3038:25  Unique         2.14, 4.46 A)
 &rst
  ixpk= 3038, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 857, 858,
 igr2=1425,1426,
 &end
#
#   97 ILE  QD1          93 ASN  HB-         5.50    (#   3040:25  Unique         2.97, 4.97 A)
 &rst
  ixpk= 3040, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1489,1490,1491,
 igr2=1425,1426,
 &end
#
#   58 ILE  QD1          93 ASN  HB-         4.50    (#   3041:25  Unique         3.37, 5.39 A)
 &rst
  ixpk= 3041, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 922, 923, 924,
 igr2=1425,1426,
 &end
#
#   58 ILE  QD1          93 ASN  HB+         4.50    (#   3042:25  Unique         3.37, 5.39 A)
 &rst
  ixpk= 3042, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 922, 923, 924,
 igr2=1425,1426,
 &end
#
#   97 ILE  QD1          93 ASN  HB+         5.50    (#   3043:25  Unique         2.97, 4.97 A)
 &rst
  ixpk= 3043, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1489,1490,1491,
 igr2=1425,1426,
 &end
#
#   94 ASP  HB+          94 ASP  HA          3.50    (#   3045:25  Unique         2.42, 2.75 A)
 &rst
  ixpk= 3045, nxpk= 25, iat=  -1,1437, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1439,1440,
 &end
#
#   95 GLU  HN           94 ASP  HA          3.50    (#   3049:25  Unique         3.51, 3.54 A)
 &rst
  ixpk= 3049, nxpk= 25, iat=1447,1437, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   94 ASP  HN           94 ASP  HA          4.50    (#   3051:25  Unique         2.12, 2.82 A)
 &rst
  ixpk= 3051, nxpk= 25, iat=1435,1437, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   94 ASP  HN           94 ASP  HB-         3.50    (#   3052:25  Unique         2.39, 2.56 A)
 &rst
  ixpk= 3052, nxpk= 25, iat=1435,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1439,1440,
 &end
#
#   34 ASP  HN           34 ASP  HB+         2.80    (#   3053:25  Unique         2.31, 2.44 A)
 &rst
  ixpk= 3053, nxpk= 25, iat= 526,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 530, 531,
 &end
#
#   95 GLU  HN           94 ASP  HB-         3.50    (#   3054:25  Unique         2.73, 3.49 A)
 &rst
  ixpk= 3054, nxpk= 25, iat=1447,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1439,1440,
 &end
#
#   95 GLU  HN           94 ASP  HB+         3.50    (#   3055:25  Unique         2.73, 3.49 A)
 &rst
  ixpk= 3055, nxpk= 25, iat=1447,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1439,1440,
 &end
#
#   94 ASP  HA           94 ASP  HB-         2.80    (#   3056:25  Unique         2.42, 2.75 A)
 &rst
  ixpk= 3056, nxpk= 25, iat=1437,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1439,1440,
 &end
#
#   94 ASP  HA           94 ASP  HB+         2.80    (#   3057:25  Unique         2.42, 2.75 A)
 &rst
  ixpk= 3057, nxpk= 25, iat=1437,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1439,1440,
 &end
#
#   97 ILE  HN           96 PRO  HA          2.80    (#   3058:25  Unique         2.24, 2.33 A)
 &rst
  ixpk= 3058, nxpk= 25, iat=1476,1472, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  25-2:3061     0 AMB  25-1:3061   3.50    (#   3061:25  Double Ambig)
 &rst
  ixpk= 3061, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1924,1925,1466,1467,1486,1487,
 igr2=1916,1472,
 &end
#
#   96 PRO  HB-          96 PRO  HA          2.80    (#   3062:25  Unique         2.29, 2.56 A)
 &rst
  ixpk= 3062, nxpk= 25, iat=  -1,1472, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1469,1470,
 &end
#
#   96 PRO  HB+          96 PRO  HA          2.80    (#   3063:25  Unique         2.29, 2.56 A)
 &rst
  ixpk= 3063, nxpk= 25, iat=  -1,1472, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1469,1470,
 &end
#
#   96 PRO  HG-          96 PRO  HB-         3.50    (#   3066:25  Unique         2.32, 2.62 A)
 &rst
  ixpk= 3066, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1466,1467,
 igr2=1469,1470,
 &end
#
#   96 PRO  HG+          96 PRO  HB-         3.50    (#   3067:25  Unique         2.32, 2.62 A)
 &rst
  ixpk= 3067, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1466,1467,
 igr2=1469,1470,
 &end
#
#   96 PRO  HG-          96 PRO  HB+         3.50    (#   3068:25  Unique         2.32, 2.62 A)
 &rst
  ixpk= 3068, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1466,1467,
 igr2=1469,1470,
 &end
#
#   96 PRO  HG+          96 PRO  HB+         3.50    (#   3069:25  Unique         2.32, 2.62 A)
 &rst
  ixpk= 3069, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1466,1467,
 igr2=1469,1470,
 &end
#
#   87 GLY  HA-          96 PRO  HB-         3.50    (#   3070:25  Unique         2.06, 3.46 A)
 &rst
  ixpk= 3070, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1338,1339,
 igr2=1469,1470,
 &end
#
#   87 GLY  HA-          96 PRO  HB+         4.50    (#   3071:25  Unique         2.06, 3.46 A)
 &rst
  ixpk= 3071, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1338,1339,
 igr2=1469,1470,
 &end
#
#   96 PRO  HD+          96 PRO  HB-         3.50    (#   3072:25  Unique         2.75, 3.69 A)
 &rst
  ixpk= 3072, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1463,1464,
 igr2=1469,1470,
 &end
#
#   96 PRO  HD+          96 PRO  HB+         4.50    (#   3073:25  Unique         2.75, 3.69 A)
 &rst
  ixpk= 3073, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1463,1464,
 igr2=1469,1470,
 &end
#
#   96 PRO  HA           96 PRO  HB-         2.80    (#   3074:25  Unique         2.29, 2.56 A)
 &rst
  ixpk= 3074, nxpk= 25, iat=1472,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1469,1470,
 &end
#
#   96 PRO  HA           96 PRO  HB+         2.80    (#   3075:25  Unique         2.29, 2.56 A)
 &rst
  ixpk= 3075, nxpk= 25, iat=1472,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1469,1470,
 &end
#
#   87 GLY  HA+          96 PRO  HB-         5.50    (#   3076:25  Unique         2.06, 3.46 A)
 &rst
  ixpk= 3076, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1338,1339,
 igr2=1469,1470,
 &end
#
#   87 GLY  HA+          96 PRO  HB+         5.50    (#   3077:25  Unique         2.06, 3.46 A)
 &rst
  ixpk= 3077, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1338,1339,
 igr2=1469,1470,
 &end
#
#   95 GLU  HA           96 PRO  HB+         5.50    (#   3081:25  Unique         4.68, 5.31 A)
 &rst
  ixpk= 3081, nxpk= 25, iat=1449,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1469,1470,
 &end
#
#   95 GLU  HA           96 PRO  HB-         5.50    (#   3082:25  Unique         4.68, 5.31 A)
 &rst
  ixpk= 3082, nxpk= 25, iat=1449,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1469,1470,
 &end
#
#   88 VAL  HN           96 PRO  HB-         4.50    (#   3083:25  Unique         3.25, 4.84 A)
 &rst
  ixpk= 3083, nxpk= 25, iat=1343,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1469,1470,
 &end
#
#   88 VAL  HN           96 PRO  HB+         4.50    (#   3084:25  Unique         3.25, 4.84 A)
 &rst
  ixpk= 3084, nxpk= 25, iat=1343,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1469,1470,
 &end
#
#   97 ILE  HN           96 PRO  HB-         4.50    (#   3085:25  Unique         2.30, 3.55 A)
 &rst
  ixpk= 3085, nxpk= 25, iat=1476,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1469,1470,
 &end
#
#   97 ILE  HN           96 PRO  HB+         4.50    (#   3086:25  Unique         2.30, 3.55 A)
 &rst
  ixpk= 3086, nxpk= 25, iat=1476,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1469,1470,
 &end
#
#   97 ILE  HN           96 PRO  HG+         5.50    (#   3087:25  Unique         4.00, 5.20 A)
 &rst
  ixpk= 3087, nxpk= 25, iat=1476,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1466,1467,
 &end
#
#   97 ILE  HN           96 PRO  HG-         5.50    (#   3088:25  Unique         4.00, 5.20 A)
 &rst
  ixpk= 3088, nxpk= 25, iat=1476,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1466,1467,
 &end
#
#    0 AMB  25-2:3090     0 AMB  25-1:3090   2.80    (#   3090:25  Double Ambig)
 &rst
  ixpk= 3090, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1=1463,1464,1986,
 igr2=1466,1467,1991,
 &end
#
#   96 PRO  HD+          96 PRO  HG+         2.80    (#   3091:25  Unique         2.29, 2.60 A)
 &rst
  ixpk= 3091, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1463,1464,
 igr2=1466,1467,
 &end
#
#   95 GLU  HA           96 PRO  HG+         4.50    (#   3092:25  Unique         4.11, 4.58 A)
 &rst
  ixpk= 3092, nxpk= 25, iat=1449,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1466,1467,
 &end
#
#  140 LEU  HN          140 LEU  HG          2.80    (#   3095:25  Unique         2.27, 2.58 A)
 &rst
  ixpk= 3095, nxpk= 25, iat=2122,2129, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   96 PRO  HB-          96 PRO  HG+         2.80    (#   3096:25  Unique         2.32, 2.62 A)
 &rst
  ixpk= 3096, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1469,1470,
 igr2=1466,1467,
 &end
#
#   96 PRO  HB-          96 PRO  HG-         2.80    (#   3097:25  Unique         2.32, 2.62 A)
 &rst
  ixpk= 3097, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1469,1470,
 igr2=1466,1467,
 &end
#
#   96 PRO  HB+          96 PRO  HG+         2.80    (#   3098:25  Unique         2.32, 2.62 A)
 &rst
  ixpk= 3098, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1469,1470,
 igr2=1466,1467,
 &end
#
#   96 PRO  HB+          96 PRO  HD-         5.50    (#   3099:25  Unique         2.75, 3.69 A)
 &rst
  ixpk= 3099, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1469,1470,
 igr2=1463,1464,
 &end
#
#   96 PRO  HB+          96 PRO  HD+         4.50    (#   3100:25  Unique         2.75, 3.69 A)
 &rst
  ixpk= 3100, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1469,1470,
 igr2=1463,1464,
 &end
#
#   96 PRO  HB-          96 PRO  HD-         4.50    (#   3101:25  Unique         2.75, 3.69 A)
 &rst
  ixpk= 3101, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1469,1470,
 igr2=1463,1464,
 &end
#
#   96 PRO  HG-          96 PRO  HD-         3.50    (#   3103:25  Unique         2.29, 2.60 A)
 &rst
  ixpk= 3103, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1466,1467,
 igr2=1463,1464,
 &end
#
#   96 PRO  HG-          96 PRO  HD+         3.50    (#   3104:25  Unique         2.29, 2.60 A)
 &rst
  ixpk= 3104, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1466,1467,
 igr2=1463,1464,
 &end
#
#   96 PRO  HG+          96 PRO  HD-         2.80    (#   3105:25  Unique         2.29, 2.60 A)
 &rst
  ixpk= 3105, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1466,1467,
 igr2=1463,1464,
 &end
#
#   96 PRO  HG+          96 PRO  HD+         2.80    (#   3106:25  Unique         2.29, 2.60 A)
 &rst
  ixpk= 3106, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1466,1467,
 igr2=1463,1464,
 &end
#
#    0 AMB  25-2:3109     0 AMB  25-1:3109   2.80    (#   3109:25  Double Ambig)
 &rst
  ixpk= 3109, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1451,1452,1451,1452,
 igr2=1463,1464,1463,1464,
 &end
#
#   95 GLU  HG+          96 PRO  HD+         2.80    (#   3110:25  Unique         2.28, 4.13 A)
 &rst
  ixpk= 3110, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1454,1455,
 igr2=1463,1464,
 &end
#
#   95 GLU  HA           96 PRO  HD-         2.80    (#   3111:25  Unique         2.06, 2.47 A)
 &rst
  ixpk= 3111, nxpk= 25, iat=1449,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1463,1464,
 &end
#
#   95 GLU  HA           96 PRO  HD+         2.80    (#   3112:25  Unique         2.06, 2.47 A)
 &rst
  ixpk= 3112, nxpk= 25, iat=1449,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1463,1464,
 &end
#
#   95 GLU  HN           96 PRO  HD-         5.50    (#   3115:25  Unique         4.25, 4.85 A)
 &rst
  ixpk= 3115, nxpk= 25, iat=1447,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1463,1464,
 &end
#
#    0 AMB  25-2:3116    97 ILE  HA          3.50    (#   3116:25  Single Ambig)
 &rst
  ixpk= 3116, nxpk= 25, iat=  -1,1478, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1476, 971,
 &end
#
#   98 LYS  HN           97 ILE  HA          2.80    (#   3117:25  Unique         1.91, 2.17 A)
 &rst
  ixpk= 3117, nxpk= 25, iat=1495,1478, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   62 GLY  HA+          97 ILE  HA          2.80    (#   3118:25  Unique         2.14, 2.97 A)
 &rst
  ixpk= 3118, nxpk= 25, iat=  -1,1478, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 973, 974,
 &end
#
#   97 ILE  QD1          97 ILE  HA          2.80    (#   3119:25  Unique         2.19, 3.04 A)
 &rst
  ixpk= 3119, nxpk= 25, iat=  -1,1478, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1489,1490,1491,
 &end
#
#   97 ILE  QG2          97 ILE  HB          2.80    (#   3120:25  Unique         2.38, 2.66 A)
 &rst
  ixpk= 3120, nxpk= 25, iat=  -1,1480, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1482,1483,1484,
 &end
#
#  100 LEU  MDX          97 ILE  HB          3.50    (#   3121:25  Unique         3.09, 4.71 A)
 &rst
  ixpk= 3121, nxpk= 25, iat=  -1,1480, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1545,1546,1547,1549,1550,1551,
 &end
#
#   97 ILE  HG1-         97 ILE  HB          2.80    (#   3122:25  Unique         2.33, 2.42 A)
 &rst
  ixpk= 3122, nxpk= 25, iat=  -1,1480, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1486,1487,
 &end
#
#   90 PHE  HD           97 ILE  HB          4.50    (#   3124:25  Unique         3.60, 5.92 A)
 &rst
  ixpk= 3124, nxpk= 25, iat=  -1,1480, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1388,1396,
 &end
#
#   98 LYS  HN           97 ILE  HB          5.50    (#   3125:25  Unique         4.09, 4.45 A)
 &rst
  ixpk= 3125, nxpk= 25, iat=1495,1480, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   88 VAL  HN           97 ILE  HB          4.50    (#   3126:25  Unique         3.47, 4.01 A)
 &rst
  ixpk= 3126, nxpk= 25, iat=1343,1480, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   97 ILE  HN           97 ILE  HB          2.80    (#   3127:25  Unique         2.39, 2.56 A)
 &rst
  ixpk= 3127, nxpk= 25, iat=1476,1480, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   97 ILE  HN           97 ILE  HG1-        3.50    (#   3128:25  Unique         2.17, 3.21 A)
 &rst
  ixpk= 3128, nxpk= 25, iat=1476,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1486,1487,
 &end
#
#   90 PHE  HD           97 ILE  HG1-        4.50    (#   3129:25  Unique         2.13, 4.66 A)
 &rst
  ixpk= 3129, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1388,1396,
 igr2=1486,1487,
 &end
#
#   97 ILE  QD1          97 ILE  HG1-        2.80    (#   3130:25  Unique         2.39, 2.66 A)
 &rst
  ixpk= 3130, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1489,1490,1491,
 igr2=1486,1487,
 &end
#
#   97 ILE  HB           97 ILE  HG1+        3.50    (#   3132:25  Unique         2.33, 2.42 A)
 &rst
  ixpk= 3132, nxpk= 25, iat=1480,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1486,1487,
 &end
#
#   90 PHE  HD           97 ILE  HG1+        4.50    (#   3135:25  Unique         2.13, 4.66 A)
 &rst
  ixpk= 3135, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1388,1396,
 igr2=1486,1487,
 &end
#
#    7 PHE  HD            0 AMB  25-1:3136   4.50    (#   3136:25  Single Ambig)
 &rst
  ixpk= 3136, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 116, 124,
 igr2= 189, 190,1240,
 &end
#
#   97 ILE  HN           97 ILE  HG1+        4.50    (#   3137:25  Unique         2.17, 3.21 A)
 &rst
  ixpk= 3137, nxpk= 25, iat=1476,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1486,1487,
 &end
#
#    0 AMB  25-2:3138    97 ILE  QD1         3.50    (#   3138:25  Single Ambig)
 &rst
  ixpk= 3138, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 971,1476,
 igr2=1489,1490,1491,
 &end
#
#   63 VAL  HN           97 ILE  QD1         4.50    (#   3139:25  Unique         2.66, 3.86 A)
 &rst
  ixpk= 3139, nxpk= 25, iat= 978,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1489,1490,1491,
 &end
#
#   98 LYS  HN           97 ILE  QD1         4.50    (#   3140:25  Unique         3.97, 5.05 A)
 &rst
  ixpk= 3140, nxpk= 25, iat=1495,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1489,1490,1491,
 &end
#
#    0 AMB  25-2:3141    97 ILE  QD1         4.50    (#   3141:25  Single Ambig)
 &rst
  ixpk= 3141, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1=1447,1517, 947,
 igr2=1489,1490,1491,
 &end
#
#   93 ASN  HD2+         97 ILE  QD1         4.50    (#   3142:25  Unique         2.19, 5.22 A)
 &rst
  ixpk= 3142, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1430,1431,
 igr2=1489,1490,1491,
 &end
#
#   90 PHE  HD           97 ILE  QD1         4.50    (#   3143:25  Unique         2.67, 6.08 A)
 &rst
  ixpk= 3143, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1388,1396,
 igr2=1489,1490,1491,
 &end
#
#   64 ALA  HA           97 ILE  QD1         5.50    (#   3144:25  Unique         4.37, 5.58 A)
 &rst
  ixpk= 3144, nxpk= 25, iat= 996,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1489,1490,1491,
 &end
#
#   63 VAL  HA           97 ILE  QD1         5.50    (#   3145:25  Unique         3.78, 5.19 A)
 &rst
  ixpk= 3145, nxpk= 25, iat= 980,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1489,1490,1491,
 &end
#
#   62 GLY  HA+          97 ILE  QD1         3.50    (#   3148:25  Unique         2.19, 3.97 A)
 &rst
  ixpk= 3148, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 973, 974,
 igr2=1489,1490,1491,
 &end
#
#   97 ILE  HA           97 ILE  QD1         3.50    (#   3149:25  Unique         2.19, 3.04 A)
 &rst
  ixpk= 3149, nxpk= 25, iat=1478,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1489,1490,1491,
 &end
#
#   90 PHE  HB+          97 ILE  QD1         5.50    (#   3150:25  Unique         3.00, 5.68 A)
 &rst
  ixpk= 3150, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1384,1385,
 igr2=1489,1490,1491,
 &end
#
#    0 AMB  25-2:3152    97 ILE  QD1         4.50    (#   3152:25  Single Ambig)
 &rst
  ixpk= 3152, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1425,1426,1384,1385,
 igr2=1489,1490,1491,
 &end
#
#   97 ILE  HB           97 ILE  QD1         3.50    (#   3153:25  Unique         3.79, 3.99 A)
 &rst
  ixpk= 3153, nxpk= 25, iat=1480,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1489,1490,1491,
 &end
#
#    0 AMB  25-2:3154    97 ILE  QD1         5.50    (#   3154:25  Single Ambig)
 &rst
  ixpk= 3154, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 982, 964, 965, 913,
 igr2=1489,1490,1491,
 &end
#
#   64 ALA  MB           97 ILE  QD1         3.50    (#   3160:25  Unique         2.54, 4.90 A)
 &rst
  ixpk= 3160, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 998, 999,1000,
 igr2=1489,1490,1491,
 &end
#
#   58 ILE  QD1          97 ILE  QD1         2.80    (#   3162:25  Unique         2.23, 3.80 A)
 &rst
  ixpk= 3162, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 922, 923, 924,
 igr2=1489,1490,1491,
 &end
#
#  100 LEU  HG           97 ILE  QG2         2.80    (#   3163:25  Unique         2.21, 2.82 A)
 &rst
  ixpk= 3163, nxpk= 25, iat=1543,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1482,1483,1484,
 &end
#
#   97 ILE  HB           97 ILE  QG2         2.80    (#   3164:25  Unique         2.38, 2.66 A)
 &rst
  ixpk= 3164, nxpk= 25, iat=1480,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1482,1483,1484,
 &end
#
#   97 ILE  HA           97 ILE  QG2         3.50    (#   3165:25  Unique         2.33, 3.11 A)
 &rst
  ixpk= 3165, nxpk= 25, iat=1478,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1482,1483,1484,
 &end
#
#   99 LEU  HN           97 ILE  QG2         3.50    (#   3168:25  Unique         2.03, 3.27 A)
 &rst
  ixpk= 3168, nxpk= 25, iat=1517,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1482,1483,1484,
 &end
#
#   98 LYS  HN           97 ILE  QG2         3.50    (#   3169:25  Unique         3.06, 4.27 A)
 &rst
  ixpk= 3169, nxpk= 25, iat=1495,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1482,1483,1484,
 &end
#
#   64 ALA  HN           97 ILE  QG2         3.50    (#   3170:25  Unique         2.80, 3.44 A)
 &rst
  ixpk= 3170, nxpk= 25, iat= 994,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1482,1483,1484,
 &end
#
#   84 LEU  HN           98 LYS  HA          3.50    (#   3171:25  Unique         1.94, 2.31 A)
 &rst
  ixpk= 3171, nxpk= 25, iat=1285,1497, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   98 LYS  HN           98 LYS  HA          4.50    (#   3172:25  Unique         2.77, 2.81 A)
 &rst
  ixpk= 3172, nxpk= 25, iat=1495,1497, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   95 GLU  HN           94 ASP  HA          3.50    (#   3173:25  Unique         3.51, 3.54 A)
 &rst
  ixpk= 3173, nxpk= 25, iat=1447,1437, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:3174    98 LYS  HA          4.50    (#   3174:25  Single Ambig)
 &rst
  ixpk= 3174, nxpk= 25, iat=  -1,1497, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1268,1287,
 &end
#
#   87 GLY  HA+          98 LYS  HA          5.50    (#   3175:25  Unique         2.47, 3.94 A)
 &rst
  ixpk= 3175, nxpk= 25, iat=  -1,1497, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1338,1339,
 &end
#
#   98 LYS  HB+          98 LYS  HA          3.50    (#   3176:25  Unique         2.36, 2.74 A)
 &rst
  ixpk= 3176, nxpk= 25, iat=  -1,1497, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1499,1500,
 &end
#
#   84 LEU  HB-          98 LYS  HA          3.50    (#   3177:25  Unique         2.09, 3.05 A)
 &rst
  ixpk= 3177, nxpk= 25, iat=  -1,1497, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1289,1290,
 &end
#
#   98 LYS  HB-          98 LYS  HA          3.50    (#   3178:25  Unique         2.36, 2.74 A)
 &rst
  ixpk= 3178, nxpk= 25, iat=  -1,1497, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1499,1500,
 &end
#
#    0 AMB  25-2:3179    98 LYS  HA          3.50    (#   3179:25  Single Ambig)
 &rst
  ixpk= 3179, nxpk= 25, iat=  -1,1497, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1289,1290,1502,1503,
 &end
#
#   98 LYS  HG-          98 LYS  HA          3.50    (#   3180:25  Unique         2.37, 3.06 A)
 &rst
  ixpk= 3180, nxpk= 25, iat=  -1,1497, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1502,1503,
 &end
#
#    0 AMB  25-2:3181    98 LYS  HA          3.50    (#   3181:25  Single Ambig)
 &rst
  ixpk= 3181, nxpk= 25, iat=  -1,1497, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,
 igr1=1275,1276,1277,1279,1280,1281,1545,1546,1547,1549,
      1550,1551,1292,1469,1470,
 &end
#
#   97 ILE  QG2          98 LYS  HA          4.50    (#   3182:25  Unique         3.83, 5.23 A)
 &rst
  ixpk= 3182, nxpk= 25, iat=  -1,1497, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1482,1483,1484,
 &end
#
#   98 LYS  HG-          98 LYS  HB+         2.80    (#   3183:25  Unique         2.25, 2.76 A)
 &rst
  ixpk= 3183, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1502,1503,
 igr2=1499,1500,
 &end
#
#   98 LYS  HG+          98 LYS  HB+         2.80    (#   3184:25  Unique         2.25, 2.76 A)
 &rst
  ixpk= 3184, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1502,1503,
 igr2=1499,1500,
 &end
#
#   98 LYS  HE-          98 LYS  HB+         3.50    (#   3186:25  Unique         1.99, 3.60 A)
 &rst
  ixpk= 3186, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1508,1509,
 igr2=1499,1500,
 &end
#
#   83 LEU  MDY          98 LYS  HB-         3.50    (#   3188:25  Unique         2.29, 4.75 A)
 &rst
  ixpk= 3188, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1275,1276,1277,1279,1280,1281,
 igr2=1499,1500,
 &end
#
#   98 LYS  HG-          98 LYS  HB-         3.50    (#   3189:25  Unique         2.25, 2.76 A)
 &rst
  ixpk= 3189, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1502,1503,
 igr2=1499,1500,
 &end
#
#   98 LYS  HE-          98 LYS  HB-         4.50    (#   3191:25  Unique         1.99, 3.60 A)
 &rst
  ixpk= 3191, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1508,1509,
 igr2=1499,1500,
 &end
#
#   98 LYS  HE-          98 LYS  HB-         4.50    (#   3192:25  Unique         1.99, 3.60 A)
 &rst
  ixpk= 3192, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1508,1509,
 igr2=1499,1500,
 &end
#
#   98 LYS  HA           98 LYS  HB-         4.50    (#   3193:25  Unique         2.36, 2.74 A)
 &rst
  ixpk= 3193, nxpk= 25, iat=1497,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1499,1500,
 &end
#
#   98 LYS  HA           98 LYS  HB+         2.80    (#   3194:25  Unique         2.36, 2.74 A)
 &rst
  ixpk= 3194, nxpk= 25, iat=1497,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1499,1500,
 &end
#
#   99 LEU  HN           98 LYS  HB+         4.50    (#   3196:25  Unique         2.38, 3.51 A)
 &rst
  ixpk= 3196, nxpk= 25, iat=1517,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1499,1500,
 &end
#
#   98 LYS  HN           98 LYS  HB+         3.50    (#   3197:25  Unique         2.27, 3.08 A)
 &rst
  ixpk= 3197, nxpk= 25, iat=1495,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1499,1500,
 &end
#
#   98 LYS  HN           98 LYS  HB-         3.50    (#   3198:25  Unique         2.27, 3.08 A)
 &rst
  ixpk= 3198, nxpk= 25, iat=1495,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1499,1500,
 &end
#
#   84 LEU  HN           98 LYS  HB-         5.50    (#   3199:25  Unique         2.41, 3.77 A)
 &rst
  ixpk= 3199, nxpk= 25, iat=1285,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1499,1500,
 &end
#
#   84 LEU  HN           98 LYS  HB+         4.50    (#   3200:25  Unique         2.41, 3.77 A)
 &rst
  ixpk= 3200, nxpk= 25, iat=1285,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1499,1500,
 &end
#
#   87 GLY  HN           98 LYS  HG-         4.50    (#   3201:25  Unique         2.31, 3.91 A)
 &rst
  ixpk= 3201, nxpk= 25, iat=1336,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1502,1503,
 &end
#
#   87 GLY  HN           98 LYS  HG+         4.50    (#   3202:25  Unique         2.31, 3.91 A)
 &rst
  ixpk= 3202, nxpk= 25, iat=1336,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1502,1503,
 &end
#
#   98 LYS  HA           98 LYS  HG+         4.50    (#   3203:25  Unique         2.37, 3.06 A)
 &rst
  ixpk= 3203, nxpk= 25, iat=1497,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1502,1503,
 &end
#
#   98 LYS  HA           98 LYS  HG-         3.50    (#   3204:25  Unique         2.37, 3.06 A)
 &rst
  ixpk= 3204, nxpk= 25, iat=1497,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1502,1503,
 &end
#
#    0 AMB  25-2:3205     0 AMB  25-1:3205   5.50    (#   3205:25  Double Ambig)
 &rst
  ixpk= 3205, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1382,1321,
 igr2= 320, 321,1502,1503,
 &end
#
#   87 GLY  HA+          98 LYS  HG-         4.50    (#   3206:25  Unique         2.55, 4.64 A)
 &rst
  ixpk= 3206, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1338,1339,
 igr2=1502,1503,
 &end
#
#   98 LYS  HB+          98 LYS  HG-         3.50    (#   3208:25  Unique         2.25, 2.76 A)
 &rst
  ixpk= 3208, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1499,1500,
 igr2=1502,1503,
 &end
#
#    0 AMB  25-2:3209     0 AMB  25-1:3209   2.80    (#   3209:25  Double Ambig)
 &rst
  ixpk= 3209, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.11, r4= 6.86,
 igr1=1526,1527,1528,1530,1531,1532,2012,2013,2014,2016,
      2017,2018,2012,2013,2014,2016,2017,2018,
 igr2=1521,1522,1521,1522,1521,1522,
 &end
#
#    0 AMB  25-2:3210    99 LEU  HB-         2.80    (#   3210:25  Single Ambig)
 &rst
  ixpk= 3210, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=1526,1527,1528,1530,1531,1532,2012,2013,2014,2016,
      2017,2018,2012,2013,2014,2016,2017,2018,
 igr2=1521,1522,
 &end
#
#   99 LEU  HG           99 LEU  HB-         2.80    (#   3212:25  Unique         2.23, 2.59 A)
 &rst
  ixpk= 3212, nxpk= 25, iat=1524,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1521,1522,
 &end
#
#   63 VAL  HA           99 LEU  HB-         3.50    (#   3215:25  Unique         2.19, 3.27 A)
 &rst
  ixpk= 3215, nxpk= 25, iat= 980,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1521,1522,
 &end
#
#   99 LEU  HA           99 LEU  HB-         3.50    (#   3216:25  Unique         2.42, 2.79 A)
 &rst
  ixpk= 3216, nxpk= 25, iat=1519,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1521,1522,
 &end
#
#   63 VAL  HA           99 LEU  HB+         3.50    (#   3217:25  Unique         2.19, 3.27 A)
 &rst
  ixpk= 3217, nxpk= 25, iat= 980,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1521,1522,
 &end
#
#   99 LEU  HA           99 LEU  HB+         3.50    (#   3218:25  Unique         2.42, 2.79 A)
 &rst
  ixpk= 3218, nxpk= 25, iat=1519,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1521,1522,
 &end
#
#   99 LEU  HN           99 LEU  HB+         3.50    (#   3219:25  Unique         2.31, 2.85 A)
 &rst
  ixpk= 3219, nxpk= 25, iat=1517,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1521,1522,
 &end
#
#   99 LEU  HN           99 LEU  HB-         3.50    (#   3220:25  Unique         2.31, 2.85 A)
 &rst
  ixpk= 3220, nxpk= 25, iat=1517,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1521,1522,
 &end
#
#   64 ALA  HN           99 LEU  HB+         4.50    (#   3221:25  Unique         3.26, 4.47 A)
 &rst
  ixpk= 3221, nxpk= 25, iat= 994,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1521,1522,
 &end
#
#  100 LEU  HN           99 LEU  HB+         5.50    (#   3222:25  Unique         3.03, 4.13 A)
 &rst
  ixpk= 3222, nxpk= 25, iat=1536,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1521,1522,
 &end
#
#   64 ALA  HN           99 LEU  HB-         5.50    (#   3223:25  Unique         3.26, 4.47 A)
 &rst
  ixpk= 3223, nxpk= 25, iat= 994,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1521,1522,
 &end
#
#  100 LEU  HN           99 LEU  HB-         4.50    (#   3224:25  Unique         3.03, 4.13 A)
 &rst
  ixpk= 3224, nxpk= 25, iat=1536,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1521,1522,
 &end
#
#  100 LEU  HN           99 LEU  HA          2.80    (#   3225:25  Unique         2.00, 2.10 A)
 &rst
  ixpk= 3225, nxpk= 25, iat=1536,1519, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   82 THR  HN           99 LEU  HA          5.50    (#   3226:25  Unique         4.10, 4.42 A)
 &rst
  ixpk= 3226, nxpk= 25, iat=1252,1519, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   83 LEU  HN           99 LEU  HA          5.50    (#   3227:25  Unique         4.85, 5.03 A)
 &rst
  ixpk= 3227, nxpk= 25, iat=1266,1519, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   98 LYS  HN           99 LEU  HA          5.50    (#   3228:25  Unique         4.99, 5.30 A)
 &rst
  ixpk= 3228, nxpk= 25, iat=1495,1519, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   99 LEU  HN           99 LEU  HA          4.50    (#   3229:25  Unique         2.93, 2.97 A)
 &rst
  ixpk= 3229, nxpk= 25, iat=1517,1519, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:3230   100 LEU  HA          4.50    (#   3230:25  Single Ambig)
 &rst
  ixpk= 3230, nxpk= 25, iat=  -1,1538, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 437, 438,1256,
 &end
#
#   99 LEU  HB+          99 LEU  HA          3.50    (#   3231:25  Unique         2.42, 2.79 A)
 &rst
  ixpk= 3231, nxpk= 25, iat=  -1,1519, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1521,1522,
 &end
#
#   99 LEU  HG           99 LEU  HA          3.50    (#   3232:25  Unique         2.73, 3.40 A)
 &rst
  ixpk= 3232, nxpk= 25, iat=1524,1519, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   99 LEU  HB-          99 LEU  HA          2.80    (#   3233:25  Unique         2.42, 2.79 A)
 &rst
  ixpk= 3233, nxpk= 25, iat=  -1,1519, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1521,1522,
 &end
#
#    0 AMB  25-2:3234    99 LEU  HA          2.80    (#   3234:25  Single Ambig)
 &rst
  ixpk= 3234, nxpk= 25, iat=  -1,1519, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1526,1527,1528,1530,1531,1532,1545,1546,1547,1549,
      1550,1551,
 &end
#
#    0 AMB  25-2:3235    99 LEU  HA          3.50    (#   3235:25  Single Ambig)
 &rst
  ixpk= 3235, nxpk= 25, iat=  -1,1519, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1482,1483,1484,2131,2132,2133,2135,2136,2137,
 &end
#
#    0 AMB  25-2:3237     0 AMB  25-1:3237   3.50    (#   3237:25  Double Ambig)
 &rst
  ixpk= 3237, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
 igr1=2012,2013,2014,2016,2017,2018,2012,2013,2014,2016,
      2017,2018,
 igr2=1508,1509,1508,1509,
 &end
#
#   83 LEU  MDY          98 LYS  HE+         5.50    (#   3238:25  Unique         2.89, 6.17 A)
 &rst
  ixpk= 3238, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1275,1276,1277,1279,1280,1281,
 igr2=1508,1509,
 &end
#
#    0 AMB  25-2:3239    98 LYS  HE-         4.50    (#   3239:25  Single Ambig)
 &rst
  ixpk= 3239, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1=2012,2013,2014,2016,2017,2018,2012,2013,2014,2016,
      2017,2018,
 igr2=1508,1509,
 &end
#
#   83 LEU  MDY          98 LYS  HE-         5.50    (#   3240:25  Unique         2.89, 6.17 A)
 &rst
  ixpk= 3240, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1275,1276,1277,1279,1280,1281,
 igr2=1508,1509,
 &end
#
#   98 LYS  HG-          98 LYS  HE+         4.50    (#   3241:25  Unique         2.16, 3.21 A)
 &rst
  ixpk= 3241, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1502,1503,
 igr2=1508,1509,
 &end
#
#   98 LYS  HG-          98 LYS  HE-         4.50    (#   3242:25  Unique         2.16, 3.21 A)
 &rst
  ixpk= 3242, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1502,1503,
 igr2=1508,1509,
 &end
#
#    0 AMB  25-2:3243     0 AMB  25-1:3243   2.80    (#   3243:25  Double Ambig)
 &rst
  ixpk= 3243, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1502,1503,2007,2008,
 igr2=1508,1509,1508,1509,
 &end
#
#   98 LYS  HB-          98 LYS  HE+         3.50    (#   3244:25  Unique         1.99, 3.60 A)
 &rst
  ixpk= 3244, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1499,1500,
 igr2=1508,1509,
 &end
#
#   19 LYS  HG-          19 LYS  HE+         3.50    (#   3245:25  Unique         2.37, 3.13 A)
 &rst
  ixpk= 3245, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 289, 290,
 igr2= 295, 296,
 &end
#
#   98 LYS  HB+          98 LYS  HE+         3.50    (#   3248:25  Unique         1.99, 3.60 A)
 &rst
  ixpk= 3248, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1499,1500,
 igr2=1508,1509,
 &end
#
#   98 LYS  HB+          98 LYS  HE-         4.50    (#   3249:25  Unique         1.99, 3.60 A)
 &rst
  ixpk= 3249, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1499,1500,
 igr2=1508,1509,
 &end
#
#   85 GLU  HA           98 LYS  HE+         5.50    (#   3250:25  Unique         1.98, 3.83 A)
 &rst
  ixpk= 3250, nxpk= 25, iat=1306,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1508,1509,
 &end
#
#  132 LEU  HA           98 LYS  HE+         5.50    (#   3251:25  Unique         3.03, 5.29 A)
 &rst
  ixpk= 3251, nxpk= 25, iat=2005,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1508,1509,
 &end
#
#   87 GLY  HN           98 LYS  HE+         5.50    (#   3256:25  Unique         4.07, 5.74 A)
 &rst
  ixpk= 3256, nxpk= 25, iat=1336,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1508,1509,
 &end
#
#   87 GLY  HN           98 LYS  HE-         5.50    (#   3257:25  Unique         4.07, 5.74 A)
 &rst
  ixpk= 3257, nxpk= 25, iat=1336,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1508,1509,
 &end
#
#   83 LEU  HA           99 LEU  MDX         3.50    (#   3260:25  Unique         2.25, 5.03 A)
 &rst
  ixpk= 3260, nxpk= 25, iat=1268,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1526,1527,1528,1530,1531,1532,
 &end
#
#   99 LEU  HA           99 LEU  MDX         2.80    (#   3261:25  Unique         2.14, 3.69 A)
 &rst
  ixpk= 3261, nxpk= 25, iat=1519,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1526,1527,1528,1530,1531,1532,
 &end
#
#   82 THR  HN           99 LEU  MDX         4.50    (#   3262:25  Unique         2.74, 5.18 A)
 &rst
  ixpk= 3262, nxpk= 25, iat=1252,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1526,1527,1528,1530,1531,1532,
 &end
#
#  100 LEU  HN           99 LEU  MDX         2.80    (#   3263:25  Unique         2.09, 4.15 A)
 &rst
  ixpk= 3263, nxpk= 25, iat=1536,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1526,1527,1528,1530,1531,1532,
 &end
#
#  101 ILE  HN          100 LEU  HA          2.80    (#   3264:25  Unique         2.14, 2.23 A)
 &rst
  ixpk= 3264, nxpk= 25, iat=1555,1538, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   64 ALA  HN          100 LEU  HA          3.50    (#   3265:25  Unique         2.64, 2.83 A)
 &rst
  ixpk= 3265, nxpk= 25, iat= 994,1538, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   65 MET  HA          100 LEU  HA          4.50    (#   3266:25  Unique         3.38, 3.71 A)
 &rst
  ixpk= 3266, nxpk= 25, iat=1006,1538, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   66 PRO  HD-         100 LEU  HA          4.50    (#   3267:25  Unique         2.89, 3.79 A)
 &rst
  ixpk= 3267, nxpk= 25, iat=  -1,1538, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1022,1023,
 &end
#
#   66 PRO  HD+         100 LEU  HA          5.50    (#   3268:25  Unique         2.89, 3.79 A)
 &rst
  ixpk= 3268, nxpk= 25, iat=  -1,1538, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1022,1023,
 &end
#
#  100 LEU  HB+         100 LEU  HA          2.80    (#   3269:25  Unique         2.31, 2.70 A)
 &rst
  ixpk= 3269, nxpk= 25, iat=  -1,1538, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1540,1541,
 &end
#
#  100 LEU  HG          100 LEU  HA          2.80    (#   3270:25  Unique         2.46, 2.60 A)
 &rst
  ixpk= 3270, nxpk= 25, iat=1543,1538, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  100 LEU  HB-         100 LEU  HA          2.80    (#   3271:25  Unique         2.31, 2.70 A)
 &rst
  ixpk= 3271, nxpk= 25, iat=  -1,1538, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1540,1541,
 &end
#
#   83 LEU  MDY          99 LEU  HA          4.50    (#   3272:25  Unique         2.30, 5.20 A)
 &rst
  ixpk= 3272, nxpk= 25, iat=  -1,1519, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1275,1276,1277,1279,1280,1281,
 &end
#
#    0 AMB  25-2:3273   100 LEU  HA          3.50    (#   3273:25  Single Ambig)
 &rst
  ixpk= 3273, nxpk= 25, iat=  -1,1538, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1526,1527,1528,1530,1531,1532,1545,1546,1547,1549,
      1550,1551,
 &end
#
#  101 ILE  HN          100 LEU  HB+         5.50    (#   3274:25  Unique         2.62, 3.51 A)
 &rst
  ixpk= 3274, nxpk= 25, iat=1555,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1540,1541,
 &end
#
#  100 LEU  HN          100 LEU  HB+         3.50    (#   3275:25  Unique         2.70, 3.43 A)
 &rst
  ixpk= 3275, nxpk= 25, iat=1536,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1540,1541,
 &end
#
#  100 LEU  HN          100 LEU  HB-         4.50    (#   3276:25  Unique         2.70, 3.43 A)
 &rst
  ixpk= 3276, nxpk= 25, iat=1536,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1540,1541,
 &end
#
#  101 ILE  HN          100 LEU  HB-         4.50    (#   3277:25  Unique         2.62, 3.51 A)
 &rst
  ixpk= 3277, nxpk= 25, iat=1555,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1540,1541,
 &end
#
#   82 THR  HN          100 LEU  HB+         5.50    (#   3278:25  Unique         3.37, 4.31 A)
 &rst
  ixpk= 3278, nxpk= 25, iat=1252,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1540,1541,
 &end
#
#   82 THR  HN          100 LEU  HB-         5.50    (#   3279:25  Unique         3.37, 4.31 A)
 &rst
  ixpk= 3279, nxpk= 25, iat=1252,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1540,1541,
 &end
#
#  100 LEU  HA          100 LEU  HB+         3.50    (#   3282:25  Unique         2.31, 2.70 A)
 &rst
  ixpk= 3282, nxpk= 25, iat=1538,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1540,1541,
 &end
#
#  100 LEU  HA          100 LEU  HB-         3.50    (#   3283:25  Unique         2.31, 2.70 A)
 &rst
  ixpk= 3283, nxpk= 25, iat=1538,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1540,1541,
 &end
#
#    0 AMB  25-2:3286     0 AMB  25-1:3286   3.50    (#   3286:25  Double Ambig)
 &rst
  ixpk= 3286, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1256, 437, 438,
 igr2=1540,1541,1540,1541,
 &end
#
#    0 AMB  25-2:3287   100 LEU  HB-         3.50    (#   3287:25  Single Ambig)
 &rst
  ixpk= 3287, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1256, 437, 438,
 igr2=1540,1541,
 &end
#
#   66 PRO  HD+         100 LEU  HB-         5.50    (#   3288:25  Unique         2.26, 3.50 A)
 &rst
  ixpk= 3288, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1022,1023,
 igr2=1540,1541,
 &end
#
#  100 LEU  HG          100 LEU  HB+         3.50    (#   3291:25  Unique         2.64, 2.86 A)
 &rst
  ixpk= 3291, nxpk= 25, iat=1543,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1540,1541,
 &end
#
#  100 LEU  HG          100 LEU  HB-         3.50    (#   3292:25  Unique         2.64, 2.86 A)
 &rst
  ixpk= 3292, nxpk= 25, iat=1543,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1540,1541,
 &end
#
#  100 LEU  MDY         100 LEU  HB-         2.80    (#   3294:25  Unique         2.31, 3.30 A)
 &rst
  ixpk= 3294, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1545,1546,1547,1549,1550,1551,
 igr2=1540,1541,
 &end
#
#  100 LEU  MDX         100 LEU  HB+         2.80    (#   3295:25  Unique         2.31, 3.30 A)
 &rst
  ixpk= 3295, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1545,1546,1547,1549,1550,1551,
 igr2=1540,1541,
 &end
#
#  134 ALA  HN           83 LEU  MDX         4.50    (#   3298:25  Unique         2.48, 4.58 A)
 &rst
  ixpk= 3298, nxpk= 25, iat=2036,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1275,1276,1277,1279,1280,1281,
 &end
#
#    0 AMB  25-2:3302   101 ILE  HA          3.50    (#   3302:25  Single Ambig)
 &rst
  ixpk= 3302, nxpk= 25, iat=  -1,1557, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1568,1569,1570,1242,1243,1244,1246,1247,1248,
 &end
#
#  101 ILE  QG2         101 ILE  HA          2.80    (#   3303:25  Unique         2.64, 3.33 A)
 &rst
  ixpk= 3303, nxpk= 25, iat=  -1,1557, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1561,1562,1563,
 &end
#
#  101 ILE  HG1+        101 ILE  HA          3.50    (#   3304:25  Unique         2.07, 2.69 A)
 &rst
  ixpk= 3304, nxpk= 25, iat=  -1,1557, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1565,1566,
 &end
#
#    0 AMB  25-2:3305   101 ILE  HA          3.50    (#   3305:25  Single Ambig)
 &rst
  ixpk= 3305, nxpk= 25, iat=  -1,1557, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1559,1540,1541,
 &end
#
#    0 AMB  25-2:3306   101 ILE  HA          5.50    (#   3306:25  Single Ambig)
 &rst
  ixpk= 3306, nxpk= 25, iat=  -1,1557, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1011,1012,1008,1009,1212,1213,
 &end
#
#    0 AMB  25-2:3307   101 ILE  HA          4.50    (#   3307:25  Single Ambig)
 &rst
  ixpk= 3307, nxpk= 25, iat=  -1,1557, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1022,1023,1576,1577,
 &end
#
#   65 MET  HA          101 ILE  HA          5.50    (#   3311:25  Unique         4.43, 4.66 A)
 &rst
  ixpk= 3311, nxpk= 25, iat=1006,1557, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  102 GLY  HN          101 ILE  HA          2.80    (#   3312:25  Unique         2.03, 2.09 A)
 &rst
  ixpk= 3312, nxpk= 25, iat=1574,1557, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   80 SER  HN          101 ILE  HA          4.50    (#   3313:25  Unique         4.15, 4.28 A)
 &rst
  ixpk= 3313, nxpk= 25, iat=1222,1557, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:3314   101 ILE  HA          4.50    (#   3314:25  Single Ambig)
 &rst
  ixpk= 3314, nxpk= 25, iat=  -1,1557, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1252,1233,
 &end
#
#  101 ILE  HN          101 ILE  HA          4.50    (#   3315:25  Unique         2.95, 2.97 A)
 &rst
  ixpk= 3315, nxpk= 25, iat=1555,1557, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  101 ILE  HN          101 ILE  HB          3.50    (#   3316:25  Unique         2.30, 2.57 A)
 &rst
  ixpk= 3316, nxpk= 25, iat=1555,1559, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   65 MET  HA          101 ILE  HB          3.50    (#   3317:25  Unique         3.23, 3.47 A)
 &rst
  ixpk= 3317, nxpk= 25, iat=1006,1559, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  101 ILE  HA          101 ILE  HB          3.50    (#   3318:25  Unique         3.04, 3.05 A)
 &rst
  ixpk= 3318, nxpk= 25, iat=1557,1559, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:3320   101 ILE  HB          3.50    (#   3320:25  Single Ambig)
 &rst
  ixpk= 3320, nxpk= 25, iat=  -1,1559, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1011,1012,1008,1009,
 &end
#
#    0 AMB  25-2:3321     0 AMB  25-1:3321   3.50    (#   3321:25  Double Ambig)
 &rst
  ixpk= 3321, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1011,1012,2075,2076,
 igr2=1559, 183,
 &end
#
#  101 ILE  QG2         101 ILE  HB          2.80    (#   3322:25  Unique         2.31, 2.63 A)
 &rst
  ixpk= 3322, nxpk= 25, iat=  -1,1559, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1561,1562,1563,
 &end
#
#  101 ILE  HA          101 ILE  HG1+        3.50    (#   3323:25  Unique         2.07, 2.69 A)
 &rst
  ixpk= 3323, nxpk= 25, iat=1557,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1565,1566,
 &end
#
#  101 ILE  HA          101 ILE  HG1-        3.50    (#   3324:25  Unique         2.07, 2.69 A)
 &rst
  ixpk= 3324, nxpk= 25, iat=1557,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1565,1566,
 &end
#
#  101 ILE  HN          101 ILE  HG1-        4.50    (#   3325:25  Unique         3.21, 3.73 A)
 &rst
  ixpk= 3325, nxpk= 25, iat=1555,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1565,1566,
 &end
#
#  101 ILE  HN          101 ILE  QD1         4.50    (#   3326:25  Unique         2.63, 5.06 A)
 &rst
  ixpk= 3326, nxpk= 25, iat=1555,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1568,1569,1570,
 &end
#
#  101 ILE  HA          101 ILE  QD1         4.50    (#   3327:25  Unique         2.50, 4.10 A)
 &rst
  ixpk= 3327, nxpk= 25, iat=1557,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1568,1569,1570,
 &end
#
#    0 AMB  25-2:3328   101 ILE  QD1         4.50    (#   3328:25  Single Ambig)
 &rst
  ixpk= 3328, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1235,1538,
 igr2=1568,1569,1570,
 &end
#
#  101 ILE  HB          101 ILE  QD1         2.80    (#   3329:25  Unique         2.52, 3.44 A)
 &rst
  ixpk= 3329, nxpk= 25, iat=1559,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1568,1569,1570,
 &end
#
#   79 MET  HB-         101 ILE  QG2         4.50    (#   3330:25  Unique         2.97, 4.87 A)
 &rst
  ixpk= 3330, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1209,1210,
 igr2=1561,1562,1563,
 &end
#
#  101 ILE  HB          101 ILE  QG2         2.80    (#   3331:25  Unique         2.31, 2.63 A)
 &rst
  ixpk= 3331, nxpk= 25, iat=1559,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1561,1562,1563,
 &end
#
#  101 ILE  HG1+        101 ILE  QG2         3.50    (#   3332:25  Unique         2.33, 3.56 A)
 &rst
  ixpk= 3332, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1565,1566,
 igr2=1561,1562,1563,
 &end
#
#   65 MET  HG-         101 ILE  QG2         4.50    (#   3333:25  Unique         2.20, 4.16 A)
 &rst
  ixpk= 3333, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1011,1012,
 igr2=1561,1562,1563,
 &end
#
#   65 MET  HG+         101 ILE  QG2         3.50    (#   3334:25  Unique         2.20, 4.16 A)
 &rst
  ixpk= 3334, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1011,1012,
 igr2=1561,1562,1563,
 &end
#
#    0 AMB  25-2:3335   101 ILE  QG2         5.50    (#   3335:25  Single Ambig)
 &rst
  ixpk= 3335, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1576,1577,1022,1023,
 igr2=1561,1562,1563,
 &end
#
#  103 LEU  HA          101 ILE  QG2         5.50    (#   3336:25  Unique         4.75, 5.46 A)
 &rst
  ixpk= 3336, nxpk= 25, iat=1583,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1561,1562,1563,
 &end
#
#  101 ILE  HA          101 ILE  QG2         3.50    (#   3337:25  Unique         2.64, 3.33 A)
 &rst
  ixpk= 3337, nxpk= 25, iat=1557,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1561,1562,1563,
 &end
#
#   81 LEU  HA          101 ILE  QG2         4.50    (#   3338:25  Unique         3.81, 5.12 A)
 &rst
  ixpk= 3338, nxpk= 25, iat=1235,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1561,1562,1563,
 &end
#
#   65 MET  HA          101 ILE  QG2         5.50    (#   3339:25  Unique         3.99, 5.12 A)
 &rst
  ixpk= 3339, nxpk= 25, iat=1006,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1561,1562,1563,
 &end
#
#  102 GLY  HN          101 ILE  QG2         4.50    (#   3344:25  Unique         2.63, 3.73 A)
 &rst
  ixpk= 3344, nxpk= 25, iat=1574,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1561,1562,1563,
 &end
#
#   80 SER  HN          101 ILE  QG2         4.50    (#   3345:25  Unique         3.11, 4.33 A)
 &rst
  ixpk= 3345, nxpk= 25, iat=1222,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1561,1562,1563,
 &end
#
#  101 ILE  HN          101 ILE  QG2         4.50    (#   3346:25  Unique         3.92, 4.55 A)
 &rst
  ixpk= 3346, nxpk= 25, iat=1555,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1561,1562,1563,
 &end
#
#   80 SER  HN          102 GLY  HA+         4.50    (#   3347:25  Unique         3.32, 3.98 A)
 &rst
  ixpk= 3347, nxpk= 25, iat=1222,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1576,1577,
 &end
#
#  103 LEU  HN          102 GLY  HA-         2.80    (#   3348:25  Unique         2.25, 2.61 A)
 &rst
  ixpk= 3348, nxpk= 25, iat=1581,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1576,1577,
 &end
#
#  102 GLY  HN          102 GLY  HA+         2.80    (#   3349:25  Unique         2.33, 2.68 A)
 &rst
  ixpk= 3349, nxpk= 25, iat=1574,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1576,1577,
 &end
#
#  101 ILE  HA          102 GLY  HA+         5.50    (#   3353:25  Unique         4.31, 4.39 A)
 &rst
  ixpk= 3353, nxpk= 25, iat=1557,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1576,1577,
 &end
#
#    0 AMB  25-2:3354     0 AMB  25-1:3354   5.50    (#   3354:25  Double Ambig)
 &rst
  ixpk= 3354, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1207,1235,
 igr2=1576,1577,1576,1577,
 &end
#
#  103 LEU  HA          102 GLY  HA+         5.50    (#   3355:25  Unique         4.40, 4.53 A)
 &rst
  ixpk= 3355, nxpk= 25, iat=1583,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1576,1577,
 &end
#
#   66 PRO  HD+         102 GLY  HA+         5.50    (#   3361:25  Unique         2.56, 4.73 A)
 &rst
  ixpk= 3361, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1022,1023,
 igr2=1576,1577,
 &end
#
#   29 MET  ME          102 GLY  HA+         3.50    (#   3362:25  Unique         2.12, 3.03 A)
 &rst
  ixpk= 3362, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 455, 456, 457,
 igr2=1576,1577,
 &end
#
#   29 MET  ME          102 GLY  HA-         3.50    (#   3363:25  Unique         2.12, 3.03 A)
 &rst
  ixpk= 3363, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 455, 456, 457,
 igr2=1576,1577,
 &end
#
#    0 AMB  25-2:3364     0 AMB  25-1:3364   5.50    (#   3364:25  Double Ambig)
 &rst
  ixpk= 3364, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1=1585,1586,1209,1210,
 igr2=1576,1577,1576,1577,
 &end
#
#   32 LEU  HG          102 GLY  HA+         5.50    (#   3365:25  Unique         4.35, 5.40 A)
 &rst
  ixpk= 3365, nxpk= 25, iat= 495,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1576,1577,
 &end
#
#    0 AMB  25-2:3366     0 AMB  25-1:3366   5.50    (#   3366:25  Double Ambig)
 &rst
  ixpk= 3366, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1=1585,1586,1540,1541, 492, 493,
 igr2=1576,1577,1576,1577,1576,1577,
 &end
#
#  101 ILE  QG2         102 GLY  HA+         5.50    (#   3367:25  Unique         3.78, 5.18 A)
 &rst
  ixpk= 3367, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1561,1562,1563,
 igr2=1576,1577,
 &end
#
#   32 LEU  MDX         102 GLY  HA+         4.50    (#   3368:25  Unique         3.04, 5.60 A)
 &rst
  ixpk= 3368, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 497, 498, 499, 501, 502, 503,
 igr2=1576,1577,
 &end
#
#  118 LEU  MDX         102 GLY  HA+         5.50    (#   3369:25  Unique         5.28, 7.73 A)
 &rst
  ixpk= 3369, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1784,1785,1786,1788,1789,1790,
 igr2=1576,1577,
 &end
#
#   32 LEU  MDX         102 GLY  HA-         5.50    (#   3370:25  Unique         3.04, 5.60 A)
 &rst
  ixpk= 3370, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 497, 498, 499, 501, 502, 503,
 igr2=1576,1577,
 &end
#
#    0 AMB  25-2:3375     0 AMB  25-1:3375   5.50    (#   3375:25  Double Ambig)
 &rst
  ixpk= 3375, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1=1028,1029,1540,1541,
 igr2=1576,1577,1576,1577,
 &end
#
#   66 PRO  HD+         102 GLY  HA-         5.50    (#   3376:25  Unique         2.56, 4.73 A)
 &rst
  ixpk= 3376, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1022,1023,
 igr2=1576,1577,
 &end
#
#   32 LEU  MDY         103 LEU  HA          5.50    (#   3377:25  Unique         3.05, 4.58 A)
 &rst
  ixpk= 3377, nxpk= 25, iat=  -1,1583, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 497, 498, 499, 501, 502, 503,
 &end
#
#  103 LEU  MDX         103 LEU  HA          4.50    (#   3378:25  Unique         2.82, 4.22 A)
 &rst
  ixpk= 3378, nxpk= 25, iat=  -1,1583, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1590,1591,1592,1594,1595,1596,
 &end
#
#  103 LEU  MDY         103 LEU  HA          2.80    (#   3379:25  Unique         2.82, 4.22 A)
 &rst
  ixpk= 3379, nxpk= 25, iat=  -1,1583, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1590,1591,1592,1594,1595,1596,
 &end
#
#    0 AMB  25-2:3380   103 LEU  HA          2.80    (#   3380:25  Single Ambig)
 &rst
  ixpk= 3380, nxpk= 25, iat=  -1,1583, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1588,1585,1586,
 &end
#
#    0 AMB  25-2:3381   103 LEU  HA          3.50    (#   3381:25  Single Ambig)
 &rst
  ixpk= 3381, nxpk= 25, iat=  -1,1583, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1585,1586,1209,1210,
 &end
#
#   79 MET  HG-         103 LEU  HA          4.50    (#   3382:25  Unique         1.94, 2.69 A)
 &rst
  ixpk= 3382, nxpk= 25, iat=  -1,1583, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1212,1213,
 &end
#
#   79 MET  HG+         103 LEU  HA          3.50    (#   3384:25  Unique         1.94, 2.69 A)
 &rst
  ixpk= 3384, nxpk= 25, iat=  -1,1583, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1212,1213,
 &end
#
#  104 SER  HB-         103 LEU  HA          5.50    (#   3385:25  Unique         4.62, 5.26 A)
 &rst
  ixpk= 3385, nxpk= 25, iat=  -1,1583, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1604,1605,
 &end
#
#    0 AMB  25-2:3386   103 LEU  HA          5.50    (#   3386:25  Single Ambig)
 &rst
  ixpk= 3386, nxpk= 25, iat=  -1,1583, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1604,1605,1226,1227,
 &end
#
#   79 MET  HA          103 LEU  HA          3.50    (#   3390:25  Unique         1.95, 2.08 A)
 &rst
  ixpk= 3390, nxpk= 25, iat=1207,1583, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  103 LEU  HN          103 LEU  HA          4.50    (#   3391:25  Unique         2.88, 2.90 A)
 &rst
  ixpk= 3391, nxpk= 25, iat=1581,1583, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   80 SER  HN          103 LEU  HA          4.50    (#   3392:25  Unique         3.77, 3.87 A)
 &rst
  ixpk= 3392, nxpk= 25, iat=1222,1583, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  104 SER  HN          103 LEU  HA          2.80    (#   3393:25  Unique         2.20, 2.26 A)
 &rst
  ixpk= 3393, nxpk= 25, iat=1600,1583, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   78 GLY  HN          103 LEU  HA          5.50    (#   3394:25  Unique         4.41, 4.47 A)
 &rst
  ixpk= 3394, nxpk= 25, iat=1198,1583, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  104 SER  HN          103 LEU  HB+         5.50    (#   3396:25  Unique         3.75, 4.16 A)
 &rst
  ixpk= 3396, nxpk= 25, iat=1600,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1585,1586,
 &end
#
#  103 LEU  HN          103 LEU  HB+         4.50    (#   3397:25  Unique         2.83, 3.11 A)
 &rst
  ixpk= 3397, nxpk= 25, iat=1581,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1585,1586,
 &end
#
#  103 LEU  HN          103 LEU  HB-         4.50    (#   3398:25  Unique         2.83, 3.11 A)
 &rst
  ixpk= 3398, nxpk= 25, iat=1581,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1585,1586,
 &end
#
#  103 LEU  HA          103 LEU  HB-         4.50    (#   3399:25  Unique         2.51, 2.81 A)
 &rst
  ixpk= 3399, nxpk= 25, iat=1583,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1585,1586,
 &end
#
#   67 HIS  HB+         103 LEU  HB+         4.50    (#   3402:25  Unique         2.32, 3.49 A)
 &rst
  ixpk= 3402, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1039,1040,
 igr2=1585,1586,
 &end
#
#   67 HIS  HB+         103 LEU  HB-         4.50    (#   3403:25  Unique         2.32, 3.49 A)
 &rst
  ixpk= 3403, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1039,1040,
 igr2=1585,1586,
 &end
#
#   67 HIS  HB-         103 LEU  HB-         4.50    (#   3404:25  Unique         2.32, 3.49 A)
 &rst
  ixpk= 3404, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1039,1040,
 igr2=1585,1586,
 &end
#
#   67 HIS  HB-         103 LEU  HB+         5.50    (#   3405:25  Unique         2.32, 3.49 A)
 &rst
  ixpk= 3405, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1039,1040,
 igr2=1585,1586,
 &end
#
#   79 MET  HG+         103 LEU  HB-         5.50    (#   3406:25  Unique         2.45, 4.05 A)
 &rst
  ixpk= 3406, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1212,1213,
 igr2=1585,1586,
 &end
#
#   65 MET  HG-         103 LEU  HB-         5.50    (#   3407:25  Unique         3.74, 4.37 A)
 &rst
  ixpk= 3407, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1011,1012,
 igr2=1585,1586,
 &end
#
#   65 MET  HG-         103 LEU  HB+         5.50    (#   3408:25  Unique         3.74, 4.37 A)
 &rst
  ixpk= 3408, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1011,1012,
 igr2=1585,1586,
 &end
#
#   79 MET  HG+         103 LEU  HB+         4.50    (#   3409:25  Unique         2.45, 4.05 A)
 &rst
  ixpk= 3409, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1212,1213,
 igr2=1585,1586,
 &end
#
#  103 LEU  MDY         103 LEU  HB-         3.50    (#   3413:25  Unique         2.26, 3.30 A)
 &rst
  ixpk= 3413, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1590,1591,1592,1594,1595,1596,
 igr2=1585,1586,
 &end
#
#  103 LEU  MDX         103 LEU  HB-         3.50    (#   3415:25  Unique         2.26, 3.30 A)
 &rst
  ixpk= 3415, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1590,1591,1592,1594,1595,1596,
 igr2=1585,1586,
 &end
#
#  103 LEU  MDX         103 LEU  HB+         3.50    (#   3416:25  Unique         2.26, 3.30 A)
 &rst
  ixpk= 3416, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1590,1591,1592,1594,1595,1596,
 igr2=1585,1586,
 &end
#
#   50 THR  MG2          91 PRO  HG+         4.50    (#   3417:25  Unique         2.48, 4.43 A)
 &rst
  ixpk= 3417, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 791, 792, 793,
 igr2=1404,1405,
 &end
#
#  103 LEU  MDX         103 LEU  HG          2.80    (#   3418:25  Unique         2.21, 2.66 A)
 &rst
  ixpk= 3418, nxpk= 25, iat=  -1,1588, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1590,1591,1592,1594,1595,1596,
 &end
#
#  103 LEU  MDY         103 LEU  HG          2.80    (#   3419:25  Unique         2.21, 2.66 A)
 &rst
  ixpk= 3419, nxpk= 25, iat=  -1,1588, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1590,1591,1592,1594,1595,1596,
 &end
#
#    0 AMB  25-2:3420     0 AMB  25-1:3420   3.50    (#   3420:25  Double Ambig)
 &rst
  ixpk= 3420, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.98, r4= 6.73,
 igr1= 854, 855, 318,1039,1040,
 igr2=1404,1405,1404,1405,1588,
 &end
#
#  103 LEU  HA          103 LEU  HG          4.50    (#   3421:25  Unique         2.51, 2.78 A)
 &rst
  ixpk= 3421, nxpk= 25, iat=1583,1588, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:3422   103 LEU  HG          5.50    (#   3422:25  Single Ambig)
 &rst
  ixpk= 3422, nxpk= 25, iat=  -1,1588, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1581,1765,
 &end
#
#   92 GLY  HN           91 PRO  HG+         5.50    (#   3423:25  Unique         2.44, 4.58 A)
 &rst
  ixpk= 3423, nxpk= 25, iat=1414,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1404,1405,
 &end
#
#  104 SER  HN          103 LEU  MDX         5.50    (#   3424:25  Unique         1.87, 4.20 A)
 &rst
  ixpk= 3424, nxpk= 25, iat=1600,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1590,1591,1592,1594,1595,1596,
 &end
#
#   68 ALA  HN          103 LEU  MDX         5.50    (#   3425:25  Unique         5.23, 7.21 A)
 &rst
  ixpk= 3425, nxpk= 25, iat=1052,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1590,1591,1592,1594,1595,1596,
 &end
#
#  105 ALA  HN          103 LEU  MDX         5.50    (#   3426:25  Unique         3.91, 5.86 A)
 &rst
  ixpk= 3426, nxpk= 25, iat=1611,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1590,1591,1592,1594,1595,1596,
 &end
#
#    0 AMB  25-2:3427   103 LEU  MDX         4.50    (#   3427:25  Single Ambig)
 &rst
  ixpk= 3427, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1581,1765,
 igr2=1590,1591,1592,1594,1595,1596,
 &end
#
#   67 HIS  HD2         103 LEU  MDX         5.50    (#   3431:25  Unique         2.39, 4.26 A)
 &rst
  ixpk= 3431, nxpk= 25, iat=1048,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1590,1591,1592,1594,1595,1596,
 &end
#
#  103 LEU  HA          103 LEU  MDX         4.50    (#   3432:25  Unique         2.82, 4.22 A)
 &rst
  ixpk= 3432, nxpk= 25, iat=1583,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1590,1591,1592,1594,1595,1596,
 &end
#
#  105 ALA  HA          103 LEU  MDX         5.50    (#   3433:25  Unique         4.07, 6.02 A)
 &rst
  ixpk= 3433, nxpk= 25, iat=1613,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1590,1591,1592,1594,1595,1596,
 &end
#
#  104 SER  HA          103 LEU  MDX         5.50    (#   3435:25  Unique         2.99, 5.07 A)
 &rst
  ixpk= 3435, nxpk= 25, iat=1602,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1590,1591,1592,1594,1595,1596,
 &end
#
#  110 SER  HB+         103 LEU  MDX         5.50    (#   3436:25  Unique         5.69, 7.56 A)
 &rst
  ixpk= 3436, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1669,1670,
 igr2=1590,1591,1592,1594,1595,1596,
 &end
#
#  111 HIS  HA          103 LEU  MDX         4.50    (#   3437:25  Unique         2.23, 3.88 A)
 &rst
  ixpk= 3437, nxpk= 25, iat=1678,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1590,1591,1592,1594,1595,1596,
 &end
#
#   67 HIS  HB+         103 LEU  MDX         4.50    (#   3438:25  Unique         3.95, 5.50 A)
 &rst
  ixpk= 3438, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1039,1040,
 igr2=1590,1591,1592,1594,1595,1596,
 &end
#
#   67 HIS  HB-         103 LEU  MDX         4.50    (#   3439:25  Unique         3.95, 5.50 A)
 &rst
  ixpk= 3439, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1039,1040,
 igr2=1590,1591,1592,1594,1595,1596,
 &end
#
#    0 AMB  25-2:3440   103 LEU  MDX         4.50    (#   3440:25  Single Ambig)
 &rst
  ixpk= 3440, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1=1212,1213,1011,1012,
 igr2=1590,1591,1592,1594,1595,1596,
 &end
#
#   65 MET  HG-         103 LEU  MDX         5.50    (#   3441:25  Unique         4.21, 6.51 A)
 &rst
  ixpk= 3441, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1011,1012,
 igr2=1590,1591,1592,1594,1595,1596,
 &end
#
#   65 MET  ME          103 LEU  MDX         4.50    (#   3444:25  Unique         4.28, 7.68 A)
 &rst
  ixpk= 3444, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=1015,1016,1017,
 igr2=1590,1591,1592,1594,1595,1596,
 &end
#
#    0 AMB  25-2:3445   103 LEU  MDX         3.50    (#   3445:25  Single Ambig)
 &rst
  ixpk= 3445, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1585,1586,1782,
 igr2=1590,1591,1592,1594,1595,1596,
 &end
#
#  105 ALA  MB          103 LEU  MDX         3.50    (#   3446:25  Unique         2.50, 5.08 A)
 &rst
  ixpk= 3446, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1615,1616,1617,
 igr2=1590,1591,1592,1594,1595,1596,
 &end
#
#  103 LEU  HG          103 LEU  MDX         2.80    (#   3447:25  Unique         2.21, 2.66 A)
 &rst
  ixpk= 3447, nxpk= 25, iat=1588,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1590,1591,1592,1594,1595,1596,
 &end
#
#  114 ALA  MB          103 LEU  MDX         3.50    (#   3448:25  Unique         2.14, 3.66 A)
 &rst
  ixpk= 3448, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1723,1724,1725,
 igr2=1590,1591,1592,1594,1595,1596,
 &end
#
#  114 ALA  MB          103 LEU  MDY         2.80    (#   3450:25  Unique         2.14, 3.66 A)
 &rst
  ixpk= 3450, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1723,1724,1725,
 igr2=1590,1591,1592,1594,1595,1596,
 &end
#
#  103 LEU  HG          103 LEU  MDY         2.80    (#   3451:25  Unique         2.21, 2.66 A)
 &rst
  ixpk= 3451, nxpk= 25, iat=1588,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1590,1591,1592,1594,1595,1596,
 &end
#
#  105 ALA  MB          103 LEU  MDY         2.80    (#   3452:25  Unique         2.50, 5.08 A)
 &rst
  ixpk= 3452, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1615,1616,1617,
 igr2=1590,1591,1592,1594,1595,1596,
 &end
#
#    0 AMB  25-2:3453   103 LEU  MDY         3.50    (#   3453:25  Single Ambig)
 &rst
  ixpk= 3453, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1585,1586,1782,
 igr2=1590,1591,1592,1594,1595,1596,
 &end
#
#   79 MET  HG-         103 LEU  MDY         2.80    (#   3454:25  Unique         3.22, 4.62 A)
 &rst
  ixpk= 3454, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1212,1213,
 igr2=1590,1591,1592,1594,1595,1596,
 &end
#
#    0 AMB  25-2:3455   103 LEU  MDY         3.50    (#   3455:25  Single Ambig)
 &rst
  ixpk= 3455, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1=1212,1213,1011,1012,
 igr2=1590,1591,1592,1594,1595,1596,
 &end
#
#    0 AMB  25-2:3456   103 LEU  MDY         4.50    (#   3456:25  Single Ambig)
 &rst
  ixpk= 3456, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1=1721,1604,1605,1695,
 igr2=1590,1591,1592,1594,1595,1596,
 &end
#
#  111 HIS  HA          103 LEU  MDY         5.50    (#   3457:25  Unique         2.23, 3.88 A)
 &rst
  ixpk= 3457, nxpk= 25, iat=1678,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1590,1591,1592,1594,1595,1596,
 &end
#
#  103 LEU  HA          103 LEU  MDY         3.50    (#   3458:25  Unique         2.82, 4.22 A)
 &rst
  ixpk= 3458, nxpk= 25, iat=1583,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1590,1591,1592,1594,1595,1596,
 &end
#
#    0 AMB  25-2:3459   103 LEU  MDY         4.50    (#   3459:25  Single Ambig)
 &rst
  ixpk= 3459, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1581,1765,
 igr2=1590,1591,1592,1594,1595,1596,
 &end
#
#  104 SER  HN          103 LEU  MDY         3.50    (#   3460:25  Unique         1.87, 4.20 A)
 &rst
  ixpk= 3460, nxpk= 25, iat=1600,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1590,1591,1592,1594,1595,1596,
 &end
#
#  104 SER  HN          104 SER  HA          4.50    (#   3462:25  Unique         2.91, 2.93 A)
 &rst
  ixpk= 3462, nxpk= 25, iat=1600,1602, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  105 ALA  HN          104 SER  HA          2.80    (#   3463:25  Unique         2.32, 2.35 A)
 &rst
  ixpk= 3463, nxpk= 25, iat=1611,1602, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   67 HIS  HD2         104 SER  HA          4.50    (#   3465:25  Unique         2.37, 2.96 A)
 &rst
  ixpk= 3465, nxpk= 25, iat=1048,1602, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  104 SER  HB+         104 SER  HA          3.50    (#   3466:25  Unique         2.36, 2.50 A)
 &rst
  ixpk= 3466, nxpk= 25, iat=  -1,1602, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1604,1605,
 &end
#
#  104 SER  HB-         104 SER  HA          3.50    (#   3467:25  Unique         2.36, 2.50 A)
 &rst
  ixpk= 3467, nxpk= 25, iat=  -1,1602, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1604,1605,
 &end
#
#    0 AMB  25-2:3468   121 LEU  HA          3.50    (#   3468:25  Single Ambig)
 &rst
  ixpk= 3468, nxpk= 25, iat=  -1,1822, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1873,1874,1809,1810,
 &end
#
#    0 AMB  25-2:3469   104 SER  HA          3.50    (#   3469:25  Single Ambig)
 &rst
  ixpk= 3469, nxpk= 25, iat=  -1,1602, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1137,1138,1139,1588,
 &end
#
#    0 AMB  25-2:3470   104 SER  HA          4.50    (#   3470:25  Single Ambig)
 &rst
  ixpk= 3470, nxpk= 25, iat=  -1,1602, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1=1590,1591,1592,1594,1595,1596, 601, 602, 603,
 &end
#
#  103 LEU  MDY         104 SER  HA          3.50    (#   3471:25  Unique         2.99, 5.07 A)
 &rst
  ixpk= 3471, nxpk= 25, iat=  -1,1602, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1590,1591,1592,1594,1595,1596,
 &end
#
#    0 AMB  25-2:3472   121 LEU  HA          3.50    (#   3472:25  Single Ambig)
 &rst
  ixpk= 3472, nxpk= 25, iat=  -1,1822, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1920,1921,1922,1829,1830,1831,1833,1834,1835,
 &end
#
#  121 LEU  MDY         121 LEU  HA          2.80    (#   3473:25  Unique         2.30, 3.86 A)
 &rst
  ixpk= 3473, nxpk= 25, iat=  -1,1822, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1829,1830,1831,1833,1834,1835,
 &end
#
#  121 LEU  HB+         121 LEU  HA          3.50    (#   3475:25  Unique         2.40, 2.73 A)
 &rst
  ixpk= 3475, nxpk= 25, iat=  -1,1822, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1824,1825,
 &end
#
#   32 LEU  MDY         104 SER  HB+         5.50    (#   3476:25  Unique         2.16, 4.66 A)
 &rst
  ixpk= 3476, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 497, 498, 499, 501, 502, 503,
 igr2=1604,1605,
 &end
#
#   32 LEU  MDY         104 SER  HB-         5.50    (#   3477:25  Unique         2.16, 4.66 A)
 &rst
  ixpk= 3477, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 497, 498, 499, 501, 502, 503,
 igr2=1604,1605,
 &end
#
#   38 ILE  QG2         104 SER  HB+         3.50    (#   3478:25  Unique         2.30, 2.73 A)
 &rst
  ixpk= 3478, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 601, 602, 603,
 igr2=1604,1605,
 &end
#
#   38 ILE  QG2         104 SER  HB-         3.50    (#   3479:25  Unique         2.30, 2.73 A)
 &rst
  ixpk= 3479, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 601, 602, 603,
 igr2=1604,1605,
 &end
#
#   32 LEU  MDX         104 SER  HB-         4.50    (#   3480:25  Unique         2.16, 4.66 A)
 &rst
  ixpk= 3480, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 497, 498, 499, 501, 502, 503,
 igr2=1604,1605,
 &end
#
#   32 LEU  MDX         104 SER  HB+         2.80    (#   3481:25  Unique         2.16, 4.66 A)
 &rst
  ixpk= 3481, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 497, 498, 499, 501, 502, 503,
 igr2=1604,1605,
 &end
#
#   38 ILE  QD1         104 SER  HB-         4.50    (#   3482:25  Unique         3.92, 5.54 A)
 &rst
  ixpk= 3482, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 608, 609, 610,
 igr2=1604,1605,
 &end
#
#    0 AMB  25-2:3483   104 SER  HB-         4.50    (#   3483:25  Single Ambig)
 &rst
  ixpk= 3483, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1137,1138,1139, 492, 493,
 igr2=1604,1605,
 &end
#
#    0 AMB  25-2:3484   104 SER  HB-         5.50    (#   3484:25  Single Ambig)
 &rst
  ixpk= 3484, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 495,1147,1148,1190,1191,1192,
 igr2=1604,1605,
 &end
#
#    0 AMB  25-2:3485   104 SER  HB-         4.50    (#   3485:25  Single Ambig)
 &rst
  ixpk= 3485, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 492, 493, 455, 456, 457,
 igr2=1604,1605,
 &end
#
#   37 TYR  HB-         104 SER  HB-         5.50    (#   3486:25  Unique         2.79, 4.25 A)
 &rst
  ixpk= 3486, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 578, 579,
 igr2=1604,1605,
 &end
#
#   74 ALA  HA          104 SER  HB-         3.50    (#   3490:25  Unique         3.18, 3.97 A)
 &rst
  ixpk= 3490, nxpk= 25, iat=1135,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1604,1605,
 &end
#
#  104 SER  HA          104 SER  HB-         4.50    (#   3491:25  Unique         2.36, 2.50 A)
 &rst
  ixpk= 3491, nxpk= 25, iat=1602,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1604,1605,
 &end
#
#   74 ALA  HA          104 SER  HB+         3.50    (#   3492:25  Unique         3.18, 3.97 A)
 &rst
  ixpk= 3492, nxpk= 25, iat=1135,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1604,1605,
 &end
#
#  104 SER  HA          104 SER  HB+         3.50    (#   3493:25  Unique         2.36, 2.50 A)
 &rst
  ixpk= 3493, nxpk= 25, iat=1602,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1604,1605,
 &end
#
#   77 THR  HA          104 SER  HB-         5.50    (#   3494:25  Unique         4.02, 4.83 A)
 &rst
  ixpk= 3494, nxpk= 25, iat=1186,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1604,1605,
 &end
#
#   77 THR  HA          104 SER  HB+         4.50    (#   3495:25  Unique         4.02, 4.83 A)
 &rst
  ixpk= 3495, nxpk= 25, iat=1186,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1604,1605,
 &end
#
#   67 HIS  HD2         104 SER  HB-         5.50    (#   3496:25  Unique         4.61, 5.23 A)
 &rst
  ixpk= 3496, nxpk= 25, iat=1048,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1604,1605,
 &end
#
#   37 TYR  HD          104 SER  HB-         5.50    (#   3497:25  Unique         4.03, 6.13 A)
 &rst
  ixpk= 3497, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 582, 591,
 igr2=1604,1605,
 &end
#
#   37 TYR  HD          104 SER  HB+         5.50    (#   3499:25  Unique         4.03, 6.13 A)
 &rst
  ixpk= 3499, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 582, 591,
 igr2=1604,1605,
 &end
#
#  105 ALA  HN          104 SER  HB-         4.50    (#   3500:25  Unique         2.87, 3.49 A)
 &rst
  ixpk= 3500, nxpk= 25, iat=1611,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1604,1605,
 &end
#
#  105 ALA  HN          104 SER  HB+         5.50    (#   3501:25  Unique         2.87, 3.49 A)
 &rst
  ixpk= 3501, nxpk= 25, iat=1611,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1604,1605,
 &end
#
#  104 SER  HN          104 SER  HB+         4.50    (#   3502:25  Unique         2.92, 3.60 A)
 &rst
  ixpk= 3502, nxpk= 25, iat=1600,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1604,1605,
 &end
#
#  104 SER  HN          104 SER  HB-         4.50    (#   3503:25  Unique         2.92, 3.60 A)
 &rst
  ixpk= 3503, nxpk= 25, iat=1600,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1604,1605,
 &end
#
#   78 GLY  HN          104 SER  HB+         4.50    (#   3504:25  Unique         3.62, 4.51 A)
 &rst
  ixpk= 3504, nxpk= 25, iat=1198,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1604,1605,
 &end
#
#   78 GLY  HN          104 SER  HB-         5.50    (#   3505:25  Unique         3.62, 4.51 A)
 &rst
  ixpk= 3505, nxpk= 25, iat=1198,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1604,1605,
 &end
#
#  105 ALA  HN          105 ALA  HA          5.50    (#   3507:25  Unique         2.91, 2.93 A)
 &rst
  ixpk= 3507, nxpk= 25, iat=1611,1613, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  106 ALA  HN          105 ALA  HA          3.50    (#   3508:25  Unique         2.18, 2.20 A)
 &rst
  ixpk= 3508, nxpk= 25, iat=1621,1613, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  107 ASP  HN          105 ALA  HA          5.50    (#   3509:25  Unique         3.70, 3.78 A)
 &rst
  ixpk= 3509, nxpk= 25, iat=1631,1613, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  105 ALA  MB          105 ALA  HA          2.80    (#   3511:25  Unique         2.38, 2.65 A)
 &rst
  ixpk= 3511, nxpk= 25, iat=  -1,1613, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1615,1616,1617,
 &end
#
#  103 LEU  MDX         105 ALA  MB          3.50    (#   3513:25  Unique         2.50, 5.08 A)
 &rst
  ixpk= 3513, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1590,1591,1592,1594,1595,1596,
 igr2=1615,1616,1617,
 &end
#
#    0 AMB  25-2:3514     0 AMB  25-1:3514   3.50    (#   3514:25  Double Ambig)
 &rst
  ixpk= 3514, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1=1590,1591,1592,1594,1595,1596,2131,2132,2133,2135,
      2136,2137, 215, 216, 217, 219, 220, 221,
 igr2=1615,1616,1617,2040,2041,2042,
 &end
#
#  139 GLN  HB+         134 ALA  MB          3.50    (#   3515:25  Unique         2.15, 3.12 A)
 &rst
  ixpk= 3515, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=2109,2110,
 igr2=2040,2041,2042,
 &end
#
#  139 GLN  HB-         134 ALA  MB          2.80    (#   3516:25  Unique         2.15, 3.12 A)
 &rst
  ixpk= 3516, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=2109,2110,
 igr2=2040,2041,2042,
 &end
#
#  139 GLN  HG+         134 ALA  MB          3.50    (#   3517:25  Unique         2.94, 4.93 A)
 &rst
  ixpk= 3517, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=2112,2113,
 igr2=2040,2041,2042,
 &end
#
#  111 HIS  HB-         105 ALA  MB          3.50    (#   3518:25  Unique         2.21, 3.32 A)
 &rst
  ixpk= 3518, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1680,1681,
 igr2=1615,1616,1617,
 &end
#
#  111 HIS  HB+         105 ALA  MB          4.50    (#   3519:25  Unique         2.21, 3.32 A)
 &rst
  ixpk= 3519, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1680,1681,
 igr2=1615,1616,1617,
 &end
#
#  111 HIS  HA          105 ALA  MB          2.80    (#   3520:25  Unique         2.27, 2.82 A)
 &rst
  ixpk= 3520, nxpk= 25, iat=1678,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1615,1616,1617,
 &end
#
#  134 ALA  HA          134 ALA  MB          2.80    (#   3521:25  Unique         2.36, 2.63 A)
 &rst
  ixpk= 3521, nxpk= 25, iat=2038,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=2040,2041,2042,
 &end
#
#    0 AMB  25-2:3522   105 ALA  MB          4.50    (#   3522:25  Single Ambig)
 &rst
  ixpk= 3522, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1602,1667,
 igr2=1615,1616,1617,
 &end
#
#    0 AMB  25-2:3523     0 AMB  25-1:3523   5.50    (#   3523:25  Double Ambig)
 &rst
  ixpk= 3523, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1096,2024,
 igr2=1615,1616,1617,2040,2041,2042,
 &end
#
#  135 SER  HA          134 ALA  MB          4.50    (#   3524:25  Unique         4.49, 5.37 A)
 &rst
  ixpk= 3524, nxpk= 25, iat=2048,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=2040,2041,2042,
 &end
#
#  105 ALA  HA          105 ALA  MB          2.80    (#   3525:25  Unique         2.38, 2.65 A)
 &rst
  ixpk= 3525, nxpk= 25, iat=1613,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1615,1616,1617,
 &end
#
#   77 THR  HA          105 ALA  MB          4.50    (#   3527:25  Unique         3.81, 4.35 A)
 &rst
  ixpk= 3527, nxpk= 25, iat=1186,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1615,1616,1617,
 &end
#
#  134 ALA  HN          134 ALA  MB          2.80    (#   3528:25  Unique         2.37, 2.87 A)
 &rst
  ixpk= 3528, nxpk= 25, iat=2036,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=2040,2041,2042,
 &end
#
#  136 SER  HN          134 ALA  MB          3.50    (#   3529:25  Unique         2.57, 3.99 A)
 &rst
  ixpk= 3529, nxpk= 25, iat=2057,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=2040,2041,2042,
 &end
#
#  133 THR  HN          134 ALA  MB          4.50    (#   3530:25  Unique         4.07, 4.75 A)
 &rst
  ixpk= 3530, nxpk= 25, iat=2022,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=2040,2041,2042,
 &end
#
#  140 LEU  HN          134 ALA  MB          4.50    (#   3531:25  Unique         2.97, 4.14 A)
 &rst
  ixpk= 3531, nxpk= 25, iat=2122,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=2040,2041,2042,
 &end
#
#    0 AMB  25-2:3532     0 AMB  25-1:3532   5.50    (#   3532:25  Double Ambig)
 &rst
  ixpk= 3532, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1693,2163,
 igr2=1615,1616,1617,2040,2041,2042,
 &end
#
#  106 ALA  HN          105 ALA  MB          3.50    (#   3533:25  Unique         3.04, 3.82 A)
 &rst
  ixpk= 3533, nxpk= 25, iat=1621,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1615,1616,1617,
 &end
#
#  111 HIS  HN          105 ALA  MB          4.50    (#   3534:25  Unique         2.51, 3.16 A)
 &rst
  ixpk= 3534, nxpk= 25, iat=1676,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1615,1616,1617,
 &end
#
#  105 ALA  HN          105 ALA  MB          3.50    (#   3535:25  Unique         2.74, 3.36 A)
 &rst
  ixpk= 3535, nxpk= 25, iat=1611,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1615,1616,1617,
 &end
#
#  135 SER  HN          134 ALA  MB          3.50    (#   3536:25  Unique         2.85, 4.05 A)
 &rst
  ixpk= 3536, nxpk= 25, iat=2046,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=2040,2041,2042,
 &end
#
#  106 ALA  HN          106 ALA  HA          3.50    (#   3537:25  Unique         2.87, 2.89 A)
 &rst
  ixpk= 3537, nxpk= 25, iat=1621,1623, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  107 ASP  HN          106 ALA  HA          4.50    (#   3538:25  Unique         3.45, 3.48 A)
 &rst
  ixpk= 3538, nxpk= 25, iat=1631,1623, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  105 ALA  HA          106 ALA  HA          4.50    (#   3539:25  Unique         4.29, 4.33 A)
 &rst
  ixpk= 3539, nxpk= 25, iat=1613,1623, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   70 PRO  HA          106 ALA  HA          4.50    (#   3540:25  Unique         4.52, 4.53 A)
 &rst
  ixpk= 3540, nxpk= 25, iat=1096,1623, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:3541   106 ALA  HA          4.50    (#   3541:25  Single Ambig)
 &rst
  ixpk= 3541, nxpk= 25, iat=  -1,1623, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1164,1102,
 &end
#
#   70 PRO  HB+         106 ALA  HA          3.50    (#   3542:25  Unique         3.27, 4.27 A)
 &rst
  ixpk= 3542, nxpk= 25, iat=  -1,1623, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1093,1094,
 &end
#
#   70 PRO  HG+         106 ALA  HA          5.50    (#   3543:25  Unique         4.73, 5.30 A)
 &rst
  ixpk= 3543, nxpk= 25, iat=  -1,1623, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1090,1091,
 &end
#
#   70 PRO  HB-         106 ALA  HA          4.50    (#   3544:25  Unique         3.27, 4.27 A)
 &rst
  ixpk= 3544, nxpk= 25, iat=  -1,1623, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1093,1094,
 &end
#
#    0 AMB  25-2:3545   106 ALA  HA          4.50    (#   3545:25  Single Ambig)
 &rst
  ixpk= 3545, nxpk= 25, iat=  -1,1623, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1615,1616,1617,1147,1148,1150,
 &end
#
#  106 ALA  MB          106 ALA  HA          2.80    (#   3546:25  Unique         2.47, 2.67 A)
 &rst
  ixpk= 3546, nxpk= 25, iat=  -1,1623, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1625,1626,1627,
 &end
#
#  106 ALA  HA          106 ALA  MB          2.80    (#   3547:25  Unique         2.47, 2.67 A)
 &rst
  ixpk= 3547, nxpk= 25, iat=1623,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1625,1626,1627,
 &end
#
#   76 LYS  HA          106 ALA  MB          3.50    (#   3548:25  Unique         2.23, 3.40 A)
 &rst
  ixpk= 3548, nxpk= 25, iat=1164,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1625,1626,1627,
 &end
#
#  105 ALA  HA          106 ALA  MB          4.50    (#   3550:25  Unique         4.42, 4.95 A)
 &rst
  ixpk= 3550, nxpk= 25, iat=1613,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1625,1626,1627,
 &end
#
#   77 THR  HA          106 ALA  MB          4.50    (#   3551:25  Unique         4.57, 5.42 A)
 &rst
  ixpk= 3551, nxpk= 25, iat=1186,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1625,1626,1627,
 &end
#
#  107 ASP  HN          106 ALA  MB          4.50    (#   3552:25  Unique         3.10, 3.88 A)
 &rst
  ixpk= 3552, nxpk= 25, iat=1631,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1625,1626,1627,
 &end
#
#  106 ALA  HN          106 ALA  MB          2.80    (#   3553:25  Unique         2.47, 2.91 A)
 &rst
  ixpk= 3553, nxpk= 25, iat=1621,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1625,1626,1627,
 &end
#
#   76 LYS  HN          106 ALA  MB          4.50    (#   3554:25  Unique         3.78, 5.01 A)
 &rst
  ixpk= 3554, nxpk= 25, iat=1162,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1625,1626,1627,
 &end
#
#   77 THR  HN          106 ALA  MB          4.50    (#   3555:25  Unique         3.45, 4.33 A)
 &rst
  ixpk= 3555, nxpk= 25, iat=1184,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1625,1626,1627,
 &end
#
#  106 ALA  MB          107 ASP  HA          5.50    (#   3556:25  Unique         4.95, 5.36 A)
 &rst
  ixpk= 3556, nxpk= 25, iat=  -1,1633, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1625,1626,1627,
 &end
#
#  105 ALA  MB          107 ASP  HA          5.50    (#   3557:25  Unique         5.01, 5.84 A)
 &rst
  ixpk= 3557, nxpk= 25, iat=  -1,1633, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1615,1616,1617,
 &end
#
#  108 ALA  MB          107 ASP  HA          4.50    (#   3558:25  Unique         4.53, 5.08 A)
 &rst
  ixpk= 3558, nxpk= 25, iat=  -1,1633, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1647,1648,1649,
 &end
#
#   70 PRO  HB-         107 ASP  HA          3.50    (#   3559:25  Unique         3.43, 3.84 A)
 &rst
  ixpk= 3559, nxpk= 25, iat=  -1,1633, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1093,1094,
 &end
#
#   70 PRO  HG+         107 ASP  HA          4.50    (#   3560:25  Unique         3.34, 4.17 A)
 &rst
  ixpk= 3560, nxpk= 25, iat=  -1,1633, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1090,1091,
 &end
#
#   70 PRO  HB+         107 ASP  HA          4.50    (#   3561:25  Unique         3.43, 3.84 A)
 &rst
  ixpk= 3561, nxpk= 25, iat=  -1,1633, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1093,1094,
 &end
#
#  107 ASP  HB-         107 ASP  HA          2.80    (#   3562:25  Unique         2.46, 2.76 A)
 &rst
  ixpk= 3562, nxpk= 25, iat=  -1,1633, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1635,1636,
 &end
#
#  107 ASP  HB+         107 ASP  HA          2.80    (#   3563:25  Unique         2.46, 2.76 A)
 &rst
  ixpk= 3563, nxpk= 25, iat=  -1,1633, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1635,1636,
 &end
#
#  106 ALA  HA          107 ASP  HA          5.50    (#   3564:25  Unique         4.56, 4.60 A)
 &rst
  ixpk= 3564, nxpk= 25, iat=1623,1633, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  110 SER  HB+         107 ASP  HA          5.50    (#   3565:25  Unique         4.53, 5.51 A)
 &rst
  ixpk= 3565, nxpk= 25, iat=  -1,1633, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1669,1670,
 &end
#
#  108 ALA  HA          107 ASP  HA          5.50    (#   3566:25  Unique         4.28, 4.30 A)
 &rst
  ixpk= 3566, nxpk= 25, iat=1645,1633, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  107 ASP  HN          107 ASP  HA          3.50    (#   3568:25  Unique         2.96, 2.97 A)
 &rst
  ixpk= 3568, nxpk= 25, iat=1631,1633, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  106 ALA  HN          107 ASP  HA          5.50    (#   3569:25  Unique         5.17, 5.23 A)
 &rst
  ixpk= 3569, nxpk= 25, iat=1621,1633, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  109 ASP  HN          107 ASP  HA          5.50    (#   3570:25  Unique         4.30, 4.36 A)
 &rst
  ixpk= 3570, nxpk= 25, iat=1653,1633, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  108 ALA  HN          107 ASP  HA          3.50    (#   3571:25  Unique         2.30, 2.35 A)
 &rst
  ixpk= 3571, nxpk= 25, iat=1643,1633, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  107 ASP  HA          107 ASP  HB+         2.80    (#   3572:25  Unique         2.46, 2.76 A)
 &rst
  ixpk= 3572, nxpk= 25, iat=1633,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1635,1636,
 &end
#
#  107 ASP  HA          107 ASP  HB-         2.80    (#   3573:25  Unique         2.46, 2.76 A)
 &rst
  ixpk= 3573, nxpk= 25, iat=1633,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1635,1636,
 &end
#
#  107 ASP  HN          107 ASP  HB+         4.50    (#   3574:25  Unique         2.76, 3.05 A)
 &rst
  ixpk= 3574, nxpk= 25, iat=1631,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1635,1636,
 &end
#
#  107 ASP  HN          107 ASP  HB-         4.50    (#   3575:25  Unique         2.76, 3.05 A)
 &rst
  ixpk= 3575, nxpk= 25, iat=1631,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1635,1636,
 &end
#
#  108 ALA  HN          107 ASP  HB+         4.50    (#   3576:25  Unique         3.82, 3.92 A)
 &rst
  ixpk= 3576, nxpk= 25, iat=1643,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1635,1636,
 &end
#
#  108 ALA  HN          107 ASP  HB-         3.50    (#   3577:25  Unique         3.82, 3.92 A)
 &rst
  ixpk= 3577, nxpk= 25, iat=1643,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1635,1636,
 &end
#
#  108 ALA  HN          108 ALA  HA          3.50    (#   3578:25  Unique         2.79, 2.80 A)
 &rst
  ixpk= 3578, nxpk= 25, iat=1643,1645, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  112 ILE  HN          108 ALA  HA          5.50    (#   3580:25  Unique         4.02, 4.12 A)
 &rst
  ixpk= 3580, nxpk= 25, iat=1693,1645, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  111 HIS  HB+         108 ALA  HA          3.50    (#   3581:25  Unique         2.19, 2.88 A)
 &rst
  ixpk= 3581, nxpk= 25, iat=  -1,1645, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1680,1681,
 &end
#
#  111 HIS  HB-         108 ALA  HA          3.50    (#   3582:25  Unique         2.19, 2.88 A)
 &rst
  ixpk= 3582, nxpk= 25, iat=  -1,1645, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1680,1681,
 &end
#
#   70 PRO  HG-         108 ALA  HA          4.50    (#   3583:25  Unique         2.24, 3.11 A)
 &rst
  ixpk= 3583, nxpk= 25, iat=  -1,1645, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1090,1091,
 &end
#
#  109 ASP  HN          108 ALA  HA          3.50    (#   3584:25  Unique         3.57, 3.58 A)
 &rst
  ixpk= 3584, nxpk= 25, iat=1653,1645, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  108 ALA  HN          108 ALA  MB          3.50    (#   3585:25  Unique         2.49, 2.87 A)
 &rst
  ixpk= 3585, nxpk= 25, iat=1643,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1647,1648,1649,
 &end
#
#  109 ASP  HN          108 ALA  MB          3.50    (#   3586:25  Unique         2.88, 3.67 A)
 &rst
  ixpk= 3586, nxpk= 25, iat=1653,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1647,1648,1649,
 &end
#
#    0 AMB  25-2:3588   108 ALA  MB          4.50    (#   3588:25  Single Ambig)
 &rst
  ixpk= 3588, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1655,1633,
 igr2=1647,1648,1649,
 &end
#
#  108 ALA  HA          108 ALA  MB          2.80    (#   3589:25  Unique         2.45, 2.66 A)
 &rst
  ixpk= 3589, nxpk= 25, iat=1645,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1647,1648,1649,
 &end
#
#    0 AMB  25-2:3590   108 ALA  MB          4.50    (#   3590:25  Single Ambig)
 &rst
  ixpk= 3590, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1657,1658,1093,1094,
 igr2=1647,1648,1649,
 &end
#
#   70 PRO  HG+         108 ALA  MB          4.50    (#   3591:25  Unique         3.28, 5.09 A)
 &rst
  ixpk= 3591, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1090,1091,
 igr2=1647,1648,1649,
 &end
#
#   70 PRO  HG-         108 ALA  MB          4.50    (#   3592:25  Unique         3.28, 5.09 A)
 &rst
  ixpk= 3592, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1090,1091,
 igr2=1647,1648,1649,
 &end
#
#    0 AMB  25-2:3593   109 ASP  HA          3.50    (#   3593:25  Single Ambig)
 &rst
  ixpk= 3593, nxpk= 25, iat=  -1,1655, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1699,1700,1701,1706,1707,1708,
 &end
#
#  112 ILE  HG1+        109 ASP  HA          4.50    (#   3594:25  Unique         2.84, 3.04 A)
 &rst
  ixpk= 3594, nxpk= 25, iat=  -1,1655, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1703,1704,
 &end
#
#  108 ALA  MB          109 ASP  HA          4.50    (#   3595:25  Unique         4.46, 4.93 A)
 &rst
  ixpk= 3595, nxpk= 25, iat=  -1,1655, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1647,1648,1649,
 &end
#
#  112 ILE  HG1-        109 ASP  HA          4.50    (#   3596:25  Unique         2.84, 3.04 A)
 &rst
  ixpk= 3596, nxpk= 25, iat=  -1,1655, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1703,1704,
 &end
#
#  112 ILE  HB          109 ASP  HA          3.50    (#   3597:25  Unique         2.08, 2.26 A)
 &rst
  ixpk= 3597, nxpk= 25, iat=1697,1655, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  109 ASP  HB+         109 ASP  HA          2.80    (#   3598:25  Unique         2.37, 2.70 A)
 &rst
  ixpk= 3598, nxpk= 25, iat=  -1,1655, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1657,1658,
 &end
#
#  112 ILE  HN          109 ASP  HA          3.50    (#   3599:25  Unique         2.87, 2.97 A)
 &rst
  ixpk= 3599, nxpk= 25, iat=1693,1655, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:3600   109 ASP  HA          4.50    (#   3600:25  Single Ambig)
 &rst
  ixpk= 3600, nxpk= 25, iat=  -1,1655, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1712,1676,
 &end
#
#  109 ASP  HN          109 ASP  HA          3.50    (#   3601:25  Unique         2.92, 2.94 A)
 &rst
  ixpk= 3601, nxpk= 25, iat=1653,1655, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  110 SER  HN          109 ASP  HA          4.50    (#   3602:25  Unique         3.53, 3.55 A)
 &rst
  ixpk= 3602, nxpk= 25, iat=1665,1655, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  110 SER  HN          109 ASP  HB+         2.80    (#   3603:25  Unique         2.87, 3.50 A)
 &rst
  ixpk= 3603, nxpk= 25, iat=1665,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1657,1658,
 &end
#
#  109 ASP  HN          109 ASP  HB+         2.80    (#   3604:25  Unique         2.41, 2.59 A)
 &rst
  ixpk= 3604, nxpk= 25, iat=1653,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1657,1658,
 &end
#
#  109 ASP  HA          109 ASP  HB+         2.80    (#   3605:25  Unique         2.37, 2.70 A)
 &rst
  ixpk= 3605, nxpk= 25, iat=1655,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1657,1658,
 &end
#
#  110 SER  HN          110 SER  HB+         3.50    (#   3606:25  Unique         2.46, 3.10 A)
 &rst
  ixpk= 3606, nxpk= 25, iat=1665,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1669,1670,
 &end
#
#  119 SER  HN          119 SER  HA          2.80    (#   3607:25  Unique         2.74, 2.82 A)
 &rst
  ixpk= 3607, nxpk= 25, iat=1794,1796, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  25-2:3608     0 AMB  25-1:3608   2.80    (#   3608:25  Double Ambig)
 &rst
  ixpk= 3608, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1839,1621,
 igr2=1796,1669,1670,
 &end
#
#  120 GLU  HN          119 SER  HA          3.50    (#   3609:25  Unique         3.49, 3.53 A)
 &rst
  ixpk= 3609, nxpk= 25, iat=1805,1796, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:3610     0 AMB  25-1:3610   3.50    (#   3610:25  Double Ambig)
 &rst
  ixpk= 3610, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1631,1858,
 igr2=1669,1670,1796,
 &end
#
#   10 SER  HA           10 SER  HB+         2.80    (#   3612:25  Unique         2.36, 2.71 A)
 &rst
  ixpk= 3612, nxpk= 25, iat= 159,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 161, 162,
 &end
#
#  122 LEU  HB+         119 SER  HA          4.50    (#   3613:25  Unique         2.36, 4.00 A)
 &rst
  ixpk= 3613, nxpk= 25, iat=  -1,1796, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1843,1844,
 &end
#
#   77 THR  MG2         110 SER  HB+         2.80    (#   3614:25  Unique         2.10, 3.56 A)
 &rst
  ixpk= 3614, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1190,1191,1192,
 igr2=1669,1670,
 &end
#
#    0 AMB  25-2:3615   119 SER  HA          4.50    (#   3615:25  Single Ambig)
 &rst
  ixpk= 3615, nxpk= 25, iat=  -1,1796, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1846,1735,1736,1737,
 &end
#
#  118 LEU  MDX         119 SER  HA          5.50    (#   3616:25  Unique         2.79, 5.61 A)
 &rst
  ixpk= 3616, nxpk= 25, iat=  -1,1796, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1784,1785,1786,1788,1789,1790,
 &end
#
#  103 LEU  MDX         111 HIS  HA          4.50    (#   3617:25  Unique         2.23, 3.88 A)
 &rst
  ixpk= 3617, nxpk= 25, iat=  -1,1678, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1590,1591,1592,1594,1595,1596,
 &end
#
#  105 ALA  MB          111 HIS  HA          2.80    (#   3618:25  Unique         2.27, 2.82 A)
 &rst
  ixpk= 3618, nxpk= 25, iat=  -1,1678, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1615,1616,1617,
 &end
#
#  111 HIS  HB-         111 HIS  HA          3.50    (#   3619:25  Unique         2.25, 2.63 A)
 &rst
  ixpk= 3619, nxpk= 25, iat=  -1,1678, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1680,1681,
 &end
#
#  111 HIS  HB+         111 HIS  HA          3.50    (#   3621:25  Unique         2.25, 2.63 A)
 &rst
  ixpk= 3621, nxpk= 25, iat=  -1,1678, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1680,1681,
 &end
#
#   67 HIS  HD2         111 HIS  HA          5.50    (#   3623:25  Unique         5.32, 5.48 A)
 &rst
  ixpk= 3623, nxpk= 25, iat=1048,1678, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  112 ILE  HN          111 HIS  HA          4.50    (#   3624:25  Unique         3.59, 3.61 A)
 &rst
  ixpk= 3624, nxpk= 25, iat=1693,1678, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  114 ALA  HN          111 HIS  HA          4.50    (#   3625:25  Unique         3.41, 3.57 A)
 &rst
  ixpk= 3625, nxpk= 25, iat=1719,1678, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  111 HIS  HN          111 HIS  HA          3.50    (#   3626:25  Unique         2.83, 2.85 A)
 &rst
  ixpk= 3626, nxpk= 25, iat=1676,1678, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  111 HIS  HN          111 HIS  HB+         4.50    (#   3627:25  Unique         2.04, 2.54 A)
 &rst
  ixpk= 3627, nxpk= 25, iat=1676,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1680,1681,
 &end
#
#  112 ILE  HN          111 HIS  HB+         3.50    (#   3628:25  Unique         2.58, 3.44 A)
 &rst
  ixpk= 3628, nxpk= 25, iat=1693,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1680,1681,
 &end
#
#  112 ILE  HN          111 HIS  HB-         4.50    (#   3629:25  Unique         2.58, 3.44 A)
 &rst
  ixpk= 3629, nxpk= 25, iat=1693,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1680,1681,
 &end
#
#  111 HIS  HN          111 HIS  HB-         4.50    (#   3630:25  Unique         2.04, 2.54 A)
 &rst
  ixpk= 3630, nxpk= 25, iat=1676,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1680,1681,
 &end
#
#   67 HIS  HD2         111 HIS  HB+         5.50    (#   3631:25  Unique         4.47, 5.76 A)
 &rst
  ixpk= 3631, nxpk= 25, iat=1048,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1680,1681,
 &end
#
#   67 HIS  HD2         111 HIS  HB-         5.50    (#   3632:25  Unique         4.47, 5.76 A)
 &rst
  ixpk= 3632, nxpk= 25, iat=1048,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1680,1681,
 &end
#
#  108 ALA  HA          111 HIS  HB+         3.50    (#   3635:25  Unique         2.19, 2.88 A)
 &rst
  ixpk= 3635, nxpk= 25, iat=1645,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1680,1681,
 &end
#
#    0 AMB  25-2:3636     0 AMB  25-1:3636   3.50    (#   3636:25  Double Ambig)
 &rst
  ixpk= 3636, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1678,1087,1088,
 igr2=1680,1681,1680,1681,
 &end
#
#    0 AMB  25-2:3637   111 HIS  HB-         3.50    (#   3637:25  Single Ambig)
 &rst
  ixpk= 3637, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1678,1087,1088,
 igr2=1680,1681,
 &end
#
#  108 ALA  HA          111 HIS  HB-         4.50    (#   3638:25  Unique         2.19, 2.88 A)
 &rst
  ixpk= 3638, nxpk= 25, iat=1645,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1680,1681,
 &end
#
#    0 AMB  25-2:3643     0 AMB  25-1:3643   5.50    (#   3643:25  Double Ambig)
 &rst
  ixpk= 3643, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1093,1094,1697,
 igr2=1680,1681,1680,1681,
 &end
#
#  112 ILE  HG1-        111 HIS  HB+         5.50    (#   3644:25  Unique         3.64, 5.49 A)
 &rst
  ixpk= 3644, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1703,1704,
 igr2=1680,1681,
 &end
#
#  112 ILE  HG1-        111 HIS  HB-         5.50    (#   3645:25  Unique         3.64, 5.49 A)
 &rst
  ixpk= 3645, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1703,1704,
 igr2=1680,1681,
 &end
#
#    0 AMB  25-2:3646   111 HIS  HB-         5.50    (#   3646:25  Single Ambig)
 &rst
  ixpk= 3646, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1093,1094,1697,
 igr2=1680,1681,
 &end
#
#  108 ALA  MB          111 HIS  HB-         4.50    (#   3647:25  Unique         3.99, 5.30 A)
 &rst
  ixpk= 3647, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1647,1648,1649,
 igr2=1680,1681,
 &end
#
#  105 ALA  MB          111 HIS  HB-         3.50    (#   3648:25  Unique         2.21, 3.32 A)
 &rst
  ixpk= 3648, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1615,1616,1617,
 igr2=1680,1681,
 &end
#
#  105 ALA  MB          111 HIS  HB+         4.50    (#   3649:25  Unique         2.21, 3.32 A)
 &rst
  ixpk= 3649, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1615,1616,1617,
 igr2=1680,1681,
 &end
#
#  108 ALA  MB          111 HIS  HB+         4.50    (#   3650:25  Unique         3.99, 5.30 A)
 &rst
  ixpk= 3650, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1647,1648,1649,
 igr2=1680,1681,
 &end
#
#    0 AMB  25-2:3651     0 AMB  25-1:3651   5.50    (#   3651:25  Double Ambig)
 &rst
  ixpk= 3651, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1=1706,1707,1708,1699,1700,1701,
 igr2=1680,1681,1680,1681,
 &end
#
#  114 ALA  MB          111 HIS  HB-         5.50    (#   3652:25  Unique         4.63, 6.15 A)
 &rst
  ixpk= 3652, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1723,1724,1725,
 igr2=1680,1681,
 &end
#
#  112 ILE  QG2         111 HIS  HB-         5.50    (#   3653:25  Unique         6.86, 7.72 A)
 &rst
  ixpk= 3653, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1699,1700,1701,
 igr2=1680,1681,
 &end
#
#  114 ALA  MB          111 HIS  HB+         5.50    (#   3654:25  Unique         4.63, 6.15 A)
 &rst
  ixpk= 3654, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1723,1724,1725,
 igr2=1680,1681,
 &end
#
#  103 LEU  MDX         111 HIS  HB+         5.50    (#   3655:25  Unique         3.34, 5.65 A)
 &rst
  ixpk= 3655, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1590,1591,1592,1594,1595,1596,
 igr2=1680,1681,
 &end
#
#  103 LEU  MDX         111 HIS  HB-         5.50    (#   3656:25  Unique         3.34, 5.65 A)
 &rst
  ixpk= 3656, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1590,1591,1592,1594,1595,1596,
 igr2=1680,1681,
 &end
#
#    0 AMB  25-2:3657   112 ILE  HA          4.50    (#   3657:25  Single Ambig)
 &rst
  ixpk= 3657, nxpk= 25, iat=  -1,1695, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1=1590,1591,1592,1594,1595,1596,1742,1743,1744,
 &end
#
#  115 ILE  QG2         112 ILE  HA          3.50    (#   3658:25  Unique         3.90, 4.41 A)
 &rst
  ixpk= 3658, nxpk= 25, iat=  -1,1695, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1735,1736,1737,
 &end
#
#  112 ILE  QG2         112 ILE  HA          2.80    (#   3659:25  Unique         2.66, 3.34 A)
 &rst
  ixpk= 3659, nxpk= 25, iat=  -1,1695, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1699,1700,1701,
 &end
#
#    0 AMB  25-2:3660   112 ILE  HA          2.80    (#   3660:25  Single Ambig)
 &rst
  ixpk= 3660, nxpk= 25, iat=  -1,1695, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1703,1704,1739,1740,
 &end
#
#  115 ILE  HB          112 ILE  HA          2.80    (#   3661:25  Unique         2.48, 2.62 A)
 &rst
  ixpk= 3661, nxpk= 25, iat=1733,1695, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  112 ILE  HB          112 ILE  HA          3.50    (#   3662:25  Unique         3.01, 3.04 A)
 &rst
  ixpk= 3662, nxpk= 25, iat=1697,1695, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   17 SER  HA           17 SER  HB-         2.80    (#   3663:25  Unique         2.22, 2.60 A)
 &rst
  ixpk= 3663, nxpk= 25, iat= 263,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 265, 266,
 &end
#
#  112 ILE  HN          112 ILE  HA          3.50    (#   3664:25  Unique         2.80, 2.82 A)
 &rst
  ixpk= 3664, nxpk= 25, iat=1693,1695, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  115 ILE  HN          112 ILE  HA          4.50    (#   3665:25  Unique         3.52, 3.66 A)
 &rst
  ixpk= 3665, nxpk= 25, iat=1729,1695, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  113 GLY  HN          112 ILE  HA          4.50    (#   3666:25  Unique         3.63, 3.64 A)
 &rst
  ixpk= 3666, nxpk= 25, iat=1712,1695, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  116 GLN  HN          112 ILE  HA          4.50    (#   3667:25  Unique         3.85, 3.94 A)
 &rst
  ixpk= 3667, nxpk= 25, iat=1748,1695, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  113 GLY  HN          112 ILE  HB          2.80    (#   3668:25  Unique         2.46, 2.60 A)
 &rst
  ixpk= 3668, nxpk= 25, iat=1712,1697, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  25-2:3669     0 AMB  25-1:3669   5.50    (#   3669:25  Double Ambig)
 &rst
  ixpk= 3669, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1719, 401,
 igr2=1697, 679,
 &end
#
#  112 ILE  HN          112 ILE  HB          2.80    (#   3670:25  Unique         2.18, 2.34 A)
 &rst
  ixpk= 3670, nxpk= 25, iat=1693,1697, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  112 ILE  QG2         112 ILE  HB          2.80    (#   3671:25  Unique         2.31, 2.62 A)
 &rst
  ixpk= 3671, nxpk= 25, iat=  -1,1697, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1699,1700,1701,
 &end
#
#    0 AMB  25-2:3673     0 AMB  25-1:3673   2.80    (#   3673:25  Double Ambig)
 &rst
  ixpk= 3673, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1=1706,1707,1708,1699,1700,1701,
 igr2=1703,1704,1703,1704,
 &end
#
#  112 ILE  HA            0 AMB  25-1:3675   2.80    (#   3675:25  Single Ambig)
 &rst
  ixpk= 3675, nxpk= 25, iat=1695,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2=1703,1704,1739,1740,
 &end
#
#  112 ILE  HA          112 ILE  HG1-        3.50    (#   3676:25  Unique         2.72, 3.32 A)
 &rst
  ixpk= 3676, nxpk= 25, iat=1695,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1703,1704,
 &end
#
#  109 ASP  HA          112 ILE  HG1+        5.50    (#   3677:25  Unique         2.84, 3.04 A)
 &rst
  ixpk= 3677, nxpk= 25, iat=1655,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1703,1704,
 &end
#
#   67 HIS  HD2         115 ILE  HG1-        5.50    (#   3678:25  Unique         5.30, 6.22 A)
 &rst
  ixpk= 3678, nxpk= 25, iat=1048,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1739,1740,
 &end
#
#  112 ILE  HN          112 ILE  HG1-        3.50    (#   3679:25  Unique         2.25, 2.94 A)
 &rst
  ixpk= 3679, nxpk= 25, iat=1693,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1703,1704,
 &end
#
#  112 ILE  HN          112 ILE  HG1+        3.50    (#   3680:25  Unique         2.25, 2.94 A)
 &rst
  ixpk= 3680, nxpk= 25, iat=1693,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1703,1704,
 &end
#
#  138 LYS  HN          138 LYS  HD-         4.50    (#   3681:25  Unique         1.73, 4.33 A)
 &rst
  ixpk= 3681, nxpk= 25, iat=2083,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=2093,2094,
 &end
#
#    0 AMB  25-2:3682     0 AMB  25-1:3682   5.50    (#   3682:25  Double Ambig)
 &rst
  ixpk= 3682, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1712,1676,
 igr2=1703,1704,1703,1704,
 &end
#
#   87 GLY  HN           98 LYS  HD+         5.50    (#   3683:25  Unique         3.30, 5.42 A)
 &rst
  ixpk= 3683, nxpk= 25, iat=1336,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1505,1506,
 &end
#
#  112 ILE  HN          112 ILE  QD1         4.50    (#   3684:25  Unique         3.91, 4.50 A)
 &rst
  ixpk= 3684, nxpk= 25, iat=1693,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1706,1707,1708,
 &end
#
#  109 ASP  HA          112 ILE  QD1         4.50    (#   3685:25  Unique         5.06, 5.24 A)
 &rst
  ixpk= 3685, nxpk= 25, iat=1655,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1706,1707,1708,
 &end
#
#  112 ILE  HA          112 ILE  QD1         4.50    (#   3686:25  Unique         2.20, 3.14 A)
 &rst
  ixpk= 3686, nxpk= 25, iat=1695,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1706,1707,1708,
 &end
#
#  109 ASP  HB+         112 ILE  QD1         5.50    (#   3687:25  Unique         6.86, 7.67 A)
 &rst
  ixpk= 3687, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1657,1658,
 igr2=1706,1707,1708,
 &end
#
#  112 ILE  HB          112 ILE  QD1         3.50    (#   3688:25  Unique         3.75, 3.95 A)
 &rst
  ixpk= 3688, nxpk= 25, iat=1697,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1706,1707,1708,
 &end
#
#  112 ILE  HG1-        112 ILE  QD1         2.80    (#   3689:25  Unique         2.36, 2.64 A)
 &rst
  ixpk= 3689, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1703,1704,
 igr2=1706,1707,1708,
 &end
#
#  108 ALA  MB          112 ILE  QD1         4.50    (#   3690:25  Unique         5.20, 6.99 A)
 &rst
  ixpk= 3690, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1=1647,1648,1649,
 igr2=1706,1707,1708,
 &end
#
#  112 ILE  HG1+        112 ILE  QD1         2.80    (#   3691:25  Unique         2.36, 2.64 A)
 &rst
  ixpk= 3691, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1703,1704,
 igr2=1706,1707,1708,
 &end
#
#  112 ILE  HG1-        112 ILE  QG2         3.50    (#   3694:25  Unique         2.46, 3.55 A)
 &rst
  ixpk= 3694, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1703,1704,
 igr2=1699,1700,1701,
 &end
#
#  112 ILE  HB          112 ILE  QG2         2.80    (#   3695:25  Unique         2.31, 2.62 A)
 &rst
  ixpk= 3695, nxpk= 25, iat=1697,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1699,1700,1701,
 &end
#
#  116 GLN  HG+         112 ILE  QG2         4.50    (#   3696:25  Unique         2.92, 3.98 A)
 &rst
  ixpk= 3696, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1755,1756,
 igr2=1699,1700,1701,
 &end
#
#  112 ILE  HA          112 ILE  QG2         2.80    (#   3697:25  Unique         2.66, 3.34 A)
 &rst
  ixpk= 3697, nxpk= 25, iat=1695,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1699,1700,1701,
 &end
#
#  113 GLY  HA+         112 ILE  QG2         3.50    (#   3698:25  Unique         3.13, 4.79 A)
 &rst
  ixpk= 3698, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1714,1715,
 igr2=1699,1700,1701,
 &end
#
#  109 ASP  HA          112 ILE  QG2         4.50    (#   3699:25  Unique         3.77, 4.53 A)
 &rst
  ixpk= 3699, nxpk= 25, iat=1655,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1699,1700,1701,
 &end
#
#  112 ILE  HN          112 ILE  QG2         4.50    (#   3700:25  Unique         4.16, 4.48 A)
 &rst
  ixpk= 3700, nxpk= 25, iat=1693,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1699,1700,1701,
 &end
#
#  113 GLY  HN          112 ILE  QG2         4.50    (#   3701:25  Unique         3.02, 3.95 A)
 &rst
  ixpk= 3701, nxpk= 25, iat=1712,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1699,1700,1701,
 &end
#
#  116 GLN  HN          112 ILE  QG2         4.50    (#   3702:25  Unique         4.47, 5.18 A)
 &rst
  ixpk= 3702, nxpk= 25, iat=1748,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1699,1700,1701,
 &end
#
#  113 GLY  HN          113 GLY  HA+         2.80    (#   3703:25  Unique         2.29, 2.56 A)
 &rst
  ixpk= 3703, nxpk= 25, iat=1712,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1714,1715,
 &end
#
#  113 GLY  HN          113 GLY  HA-         2.80    (#   3704:25  Unique         2.29, 2.56 A)
 &rst
  ixpk= 3704, nxpk= 25, iat=1712,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1714,1715,
 &end
#
#  116 GLN  HN          113 GLY  HA+         4.50    (#   3705:25  Unique         3.32, 4.15 A)
 &rst
  ixpk= 3705, nxpk= 25, iat=1748,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1714,1715,
 &end
#
#  116 GLN  HN          113 GLY  HA-         4.50    (#   3706:25  Unique         3.32, 4.15 A)
 &rst
  ixpk= 3706, nxpk= 25, iat=1748,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1714,1715,
 &end
#
#  114 ALA  HN          113 GLY  HA+         2.80    (#   3707:25  Unique         2.83, 3.23 A)
 &rst
  ixpk= 3707, nxpk= 25, iat=1719,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1714,1715,
 &end
#
#  114 ALA  HN          113 GLY  HA-         2.80    (#   3708:25  Unique         2.83, 3.23 A)
 &rst
  ixpk= 3708, nxpk= 25, iat=1719,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1714,1715,
 &end
#
#  116 GLN  HB+         113 GLY  HA+         4.50    (#   3709:25  Unique         2.29, 4.18 A)
 &rst
  ixpk= 3709, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1752,1753,
 igr2=1714,1715,
 &end
#
#  116 GLN  HB+         113 GLY  HA-         3.50    (#   3710:25  Unique         2.29, 4.18 A)
 &rst
  ixpk= 3710, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1752,1753,
 igr2=1714,1715,
 &end
#
#  116 GLN  HB-         113 GLY  HA+         3.50    (#   3711:25  Unique         2.29, 4.18 A)
 &rst
  ixpk= 3711, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1752,1753,
 igr2=1714,1715,
 &end
#
#  116 GLN  HB-         113 GLY  HA-         3.50    (#   3712:25  Unique         2.29, 4.18 A)
 &rst
  ixpk= 3712, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1752,1753,
 igr2=1714,1715,
 &end
#
#  112 ILE  QG2         113 GLY  HA+         3.50    (#   3713:25  Unique         3.13, 4.79 A)
 &rst
  ixpk= 3713, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1699,1700,1701,
 igr2=1714,1715,
 &end
#
#  112 ILE  QG2         113 GLY  HA-         4.50    (#   3714:25  Unique         3.13, 4.79 A)
 &rst
  ixpk= 3714, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1699,1700,1701,
 igr2=1714,1715,
 &end
#
#  114 ALA  MB          113 GLY  HA-         5.50    (#   3716:25  Unique         4.71, 5.75 A)
 &rst
  ixpk= 3716, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1723,1724,1725,
 igr2=1714,1715,
 &end
#
#  114 ALA  MB          114 ALA  HA          2.80    (#   3717:25  Unique         2.42, 2.66 A)
 &rst
  ixpk= 3717, nxpk= 25, iat=  -1,1721, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1723,1724,1725,
 &end
#
#  103 LEU  HG          114 ALA  HA          4.50    (#   3718:25  Unique         4.40, 4.47 A)
 &rst
  ixpk= 3718, nxpk= 25, iat=1588,1721, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  117 ALA  MB          114 ALA  HA          2.80    (#   3719:25  Unique         2.76, 3.61 A)
 &rst
  ixpk= 3719, nxpk= 25, iat=  -1,1721, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1769,1770,1771,
 &end
#
#    0 AMB  25-2:3724   114 ALA  HA          2.80    (#   3724:25  Single Ambig)
 &rst
  ixpk= 3724, nxpk= 25, iat=  -1,1721, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1719,1765,
 &end
#
#  116 GLN  HN          114 ALA  HA          4.50    (#   3725:25  Unique         4.39, 4.46 A)
 &rst
  ixpk= 3725, nxpk= 25, iat=1748,1721, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:3737   115 ILE  HA          3.50    (#   3737:25  Single Ambig)
 &rst
  ixpk= 3737, nxpk= 25, iat=  -1,1731, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1742,1743,1744,1590,1591,1592,1594,1595,1596,
 &end
#
#  115 ILE  QG2         115 ILE  HA          3.50    (#   3738:25  Unique         2.74, 3.44 A)
 &rst
  ixpk= 3738, nxpk= 25, iat=  -1,1731, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1735,1736,1737,
 &end
#
#  115 ILE  HG1+        115 ILE  HA          2.80    (#   3739:25  Unique         2.70, 3.25 A)
 &rst
  ixpk= 3739, nxpk= 25, iat=  -1,1731, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1739,1740,
 &end
#
#  115 ILE  HG1-        115 ILE  HA          3.50    (#   3740:25  Unique         2.70, 3.25 A)
 &rst
  ixpk= 3740, nxpk= 25, iat=  -1,1731, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1739,1740,
 &end
#
#  118 LEU  HB-         115 ILE  HA          4.50    (#   3741:25  Unique         2.48, 4.31 A)
 &rst
  ixpk= 3741, nxpk= 25, iat=  -1,1731, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1779,1780,
 &end
#
#  118 LEU  HB+         115 ILE  HA          4.50    (#   3742:25  Unique         2.48, 4.31 A)
 &rst
  ixpk= 3742, nxpk= 25, iat=  -1,1731, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1779,1780,
 &end
#
#  115 ILE  HB          115 ILE  HA          2.80    (#   3743:25  Unique         2.92, 2.94 A)
 &rst
  ixpk= 3743, nxpk= 25, iat=1733,1731, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  115 ILE  HN          115 ILE  HA          2.80    (#   3744:25  Unique         2.72, 2.75 A)
 &rst
  ixpk= 3744, nxpk= 25, iat=1729,1731, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  25-2:3745   115 ILE  HA          3.50    (#   3745:25  Single Ambig)
 &rst
  ixpk= 3745, nxpk= 25, iat=  -1,1731, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1775,1748,
 &end
#
#  119 SER  HN          115 ILE  HA          4.50    (#   3746:25  Unique         3.90, 4.02 A)
 &rst
  ixpk= 3746, nxpk= 25, iat=1794,1731, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  116 GLN  HN          115 ILE  HB          3.50    (#   3747:25  Unique         2.54, 2.63 A)
 &rst
  ixpk= 3747, nxpk= 25, iat=1748,1733, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  115 ILE  HN          115 ILE  HB          2.80    (#   3748:25  Unique         2.04, 2.10 A)
 &rst
  ixpk= 3748, nxpk= 25, iat=1729,1733, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  144 ILE  HN          144 ILE  HB          2.80    (#   3749:25  Unique         2.15, 2.41 A)
 &rst
  ixpk= 3749, nxpk= 25, iat=2182,2186, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  25-2:3750     0 AMB  25-1:3750   4.50    (#   3750:25  Double Ambig)
 &rst
  ixpk= 3750, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=2163,1693,
 igr2=2186,1733,
 &end
#
#  146 ARG  HN          144 ILE  HB          5.50    (#   3751:25  Unique         4.87, 5.05 A)
 &rst
  ixpk= 3751, nxpk= 25, iat=2212,2186, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  25-2:3752   144 ILE  HB          5.50    (#   3752:25  Single Ambig)
 &rst
  ixpk= 3752, nxpk= 25, iat=  -1,2186, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2203,2153,
 &end
#
#    0 AMB  25-2:3753     0 AMB  25-1:3753   4.50    (#   3753:25  Double Ambig)
 &rst
  ixpk= 3753, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=  66,1750,2205,2206,
 igr2=2186,1733,
 &end
#
#    0 AMB  25-2:3754   144 ILE  HB          2.80    (#   3754:25  Single Ambig)
 &rst
  ixpk= 3754, nxpk= 25, iat=  -1,2186, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=2143,2184,
 &end
#
#  115 ILE  HA          115 ILE  HB          2.80    (#   3755:25  Unique         2.92, 2.94 A)
 &rst
  ixpk= 3755, nxpk= 25, iat=1731,1733, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  25-2:3757     0 AMB  25-1:3757   4.50    (#   3757:25  Double Ambig)
 &rst
  ixpk= 3757, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=2145,2146,2147,1779,1780,
 igr2=2186,1733,
 &end
#
#  115 ILE  HG1-        115 ILE  HB          3.50    (#   3758:25  Unique         2.35, 2.42 A)
 &rst
  ixpk= 3758, nxpk= 25, iat=  -1,1733, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1739,1740,
 &end
#
#  144 ILE  HG1-        144 ILE  HB          2.80    (#   3759:25  Unique         2.23, 2.43 A)
 &rst
  ixpk= 3759, nxpk= 25, iat=  -1,2186, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=2192,2193,
 &end
#
#    0 AMB  25-2:3760     0 AMB  25-1:3760   2.80    (#   3760:25  Double Ambig)
 &rst
  ixpk= 3760, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=2192,2193,1739,1740,
 igr2=2186,1733,
 &end
#
#  115 ILE  QG2         115 ILE  HB          2.80    (#   3761:25  Unique         2.27, 2.60 A)
 &rst
  ixpk= 3761, nxpk= 25, iat=  -1,1733, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1735,1736,1737,
 &end
#
#  144 ILE  QG2         144 ILE  HB          2.80    (#   3763:25  Unique         2.23, 2.63 A)
 &rst
  ixpk= 3763, nxpk= 25, iat=  -1,2186, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=2188,2189,2190,
 &end
#
#  144 ILE  QD1         144 ILE  HB          3.50    (#   3764:25  Unique         3.64, 3.90 A)
 &rst
  ixpk= 3764, nxpk= 25, iat=  -1,2186, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=2195,2196,2197,
 &end
#
#    0 AMB  25-2:3765   115 ILE  HG1-        2.80    (#   3765:25  Single Ambig)
 &rst
  ixpk= 3765, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1590,1591,1592,1594,1595,1596,1742,1743,1744,
 igr2=1739,1740,
 &end
#
#    0 AMB  25-2:3766     0 AMB  25-1:3766   2.80    (#   3766:25  Double Ambig)
 &rst
  ixpk= 3766, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=1590,1591,1592,1594,1595,1596,1742,1743,1744,
 igr2=1739,1740,1739,1740,
 &end
#
#  115 ILE  HA          115 ILE  HG1-        3.50    (#   3768:25  Unique         2.70, 3.25 A)
 &rst
  ixpk= 3768, nxpk= 25, iat=1731,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1739,1740,
 &end
#
#  115 ILE  HA          115 ILE  HG1+        3.50    (#   3770:25  Unique         2.70, 3.25 A)
 &rst
  ixpk= 3770, nxpk= 25, iat=1731,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1739,1740,
 &end
#
#  112 ILE  HA          115 ILE  HG1+        4.50    (#   3771:25  Unique         3.46, 3.96 A)
 &rst
  ixpk= 3771, nxpk= 25, iat=1695,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1739,1740,
 &end
#
#  115 ILE  HN          115 ILE  HG1-        3.50    (#   3772:25  Unique         2.48, 3.14 A)
 &rst
  ixpk= 3772, nxpk= 25, iat=1729,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1739,1740,
 &end
#
#  115 ILE  HN          115 ILE  HG1+        3.50    (#   3773:25  Unique         2.48, 3.14 A)
 &rst
  ixpk= 3773, nxpk= 25, iat=1729,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1739,1740,
 &end
#
#  116 GLN  HN          115 ILE  HG1+        4.50    (#   3775:25  Unique         4.62, 4.83 A)
 &rst
  ixpk= 3775, nxpk= 25, iat=1748,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1739,1740,
 &end
#
#  115 ILE  HN          115 ILE  QD1         4.50    (#   3776:25  Unique         4.01, 4.64 A)
 &rst
  ixpk= 3776, nxpk= 25, iat=1729,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1742,1743,1744,
 &end
#
#   67 HIS  HD2         115 ILE  QD1         5.50    (#   3779:25  Unique         5.29, 6.46 A)
 &rst
  ixpk= 3779, nxpk= 25, iat=1048,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1742,1743,1744,
 &end
#
#    0 AMB  25-2:3782   115 ILE  QD1         5.50    (#   3782:25  Single Ambig)
 &rst
  ixpk= 3782, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1777,1796,
 igr2=1742,1743,1744,
 &end
#
#  111 HIS  HA          115 ILE  QD1         5.50    (#   3783:25  Unique         5.86, 6.48 A)
 &rst
  ixpk= 3783, nxpk= 25, iat=1678,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1742,1743,1744,
 &end
#
#    0 AMB  25-2:3784   115 ILE  QD1         5.50    (#   3784:25  Single Ambig)
 &rst
  ixpk= 3784, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1695,1721,
 igr2=1742,1743,1744,
 &end
#
#  115 ILE  HA          115 ILE  QD1         3.50    (#   3785:25  Unique         2.13, 3.07 A)
 &rst
  ixpk= 3785, nxpk= 25, iat=1731,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1742,1743,1744,
 &end
#
#    0 AMB  25-2:3786   115 ILE  QD1         5.50    (#   3786:25  Single Ambig)
 &rst
  ixpk= 3786, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1011,1012,1008,1009,
 igr2=1742,1743,1744,
 &end
#
#  115 ILE  HB          115 ILE  QD1         3.50    (#   3788:25  Unique         3.75, 3.96 A)
 &rst
  ixpk= 3788, nxpk= 25, iat=1733,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1742,1743,1744,
 &end
#
#    0 AMB  25-2:3789   115 ILE  QD1         5.50    (#   3789:25  Single Ambig)
 &rst
  ixpk= 3789, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1=1782,1585,1586,
 igr2=1742,1743,1744,
 &end
#
#  118 LEU  HB-         115 ILE  QD1         5.50    (#   3790:25  Unique         3.24, 6.04 A)
 &rst
  ixpk= 3790, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1779,1780,
 igr2=1742,1743,1744,
 &end
#
#  115 ILE  HG1-        115 ILE  QD1         2.80    (#   3791:25  Unique         2.39, 2.65 A)
 &rst
  ixpk= 3791, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1739,1740,
 igr2=1742,1743,1744,
 &end
#
#  103 LEU  HB+         115 ILE  QD1         4.50    (#   3792:25  Unique         4.32, 5.22 A)
 &rst
  ixpk= 3792, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1585,1586,
 igr2=1742,1743,1744,
 &end
#
#  115 ILE  HG1+        115 ILE  QD1         3.50    (#   3793:25  Unique         2.39, 2.65 A)
 &rst
  ixpk= 3793, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1739,1740,
 igr2=1742,1743,1744,
 &end
#
#  115 ILE  QG2         115 ILE  QD1         2.80    (#   3794:25  Unique         2.35, 3.71 A)
 &rst
  ixpk= 3794, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1=1735,1736,1737,
 igr2=1742,1743,1744,
 &end
#
#  115 ILE  HA          115 ILE  QG2         3.50    (#   3795:25  Unique         2.74, 3.44 A)
 &rst
  ixpk= 3795, nxpk= 25, iat=1731,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1735,1736,1737,
 &end
#
#  115 ILE  HN          115 ILE  QG2         3.50    (#   3797:25  Unique         3.94, 4.32 A)
 &rst
  ixpk= 3797, nxpk= 25, iat=1729,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1735,1736,1737,
 &end
#
#  132 LEU  HN          129 GLU  HA          3.50    (#   3799:25  Unique         3.31, 3.38 A)
 &rst
  ixpk= 3799, nxpk= 25, iat=2003,1954, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  129 GLU  HN          129 GLU  HA          2.80    (#   3800:25  Unique         2.85, 2.86 A)
 &rst
  ixpk= 3800, nxpk= 25, iat=1952,1954, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  25-2:3801     0 AMB  25-1:3801   2.80    (#   3801:25  Double Ambig)
 &rst
  ixpk= 3801, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1748,2141,2151,
 igr2=1750,2085,
 &end
#
#  119 SER  HN          116 GLN  HA          4.50    (#   3802:25  Unique         3.15, 3.61 A)
 &rst
  ixpk= 3802, nxpk= 25, iat=1794,1750, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  116 GLN  HN          116 GLN  HB+         2.80    (#   3803:25  Unique         2.28, 2.94 A)
 &rst
  ixpk= 3803, nxpk= 25, iat=1748,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1752,1753,
 &end
#
#    0 AMB  25-2:3805     0 AMB  25-1:3805   3.50    (#   3805:25  Double Ambig)
 &rst
  ixpk= 3805, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1765,1719,
 igr2=1752,1753,1752,1753,
 &end
#
#    0 AMB  25-2:3806   116 GLN  HB-         3.50    (#   3806:25  Single Ambig)
 &rst
  ixpk= 3806, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1765,1719,
 igr2=1752,1753,
 &end
#
#  116 GLN  HA          116 GLN  HB+         2.80    (#   3807:25  Unique         2.57, 2.81 A)
 &rst
  ixpk= 3807, nxpk= 25, iat=1750,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1752,1753,
 &end
#
#  116 GLN  HA          116 GLN  HB-         2.80    (#   3808:25  Unique         2.57, 2.81 A)
 &rst
  ixpk= 3808, nxpk= 25, iat=1750,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1752,1753,
 &end
#
#  112 ILE  QG2         116 GLN  HB+         5.50    (#   3809:25  Unique         4.13, 5.45 A)
 &rst
  ixpk= 3809, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1699,1700,1701,
 igr2=1752,1753,
 &end
#
#  112 ILE  QG2         116 GLN  HG-         4.50    (#   3811:25  Unique         2.92, 3.98 A)
 &rst
  ixpk= 3811, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1699,1700,1701,
 igr2=1755,1756,
 &end
#
#  116 GLN  HA          116 GLN  HG-         2.80    (#   3813:25  Unique         2.41, 3.09 A)
 &rst
  ixpk= 3813, nxpk= 25, iat=1750,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1755,1756,
 &end
#
#  116 GLN  HE2-        116 GLN  HG+         4.50    (#   3814:25  Unique         2.25, 3.29 A)
 &rst
  ixpk= 3814, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1760,1761,
 igr2=1755,1756,
 &end
#
#  116 GLN  HE2-        116 GLN  HG-         4.50    (#   3815:25  Unique         2.25, 3.29 A)
 &rst
  ixpk= 3815, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1760,1761,
 igr2=1755,1756,
 &end
#
#  116 GLN  HE2+        116 GLN  HG+         3.50    (#   3816:25  Unique         2.25, 3.29 A)
 &rst
  ixpk= 3816, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1760,1761,
 igr2=1755,1756,
 &end
#
#  116 GLN  HE2+        116 GLN  HG-         3.50    (#   3817:25  Unique         2.25, 3.29 A)
 &rst
  ixpk= 3817, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1760,1761,
 igr2=1755,1756,
 &end
#
#    0 AMB  25-2:3818   116 GLN  HG-         4.50    (#   3818:25  Single Ambig)
 &rst
  ixpk= 3818, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1765,1719,
 igr2=1755,1756,
 &end
#
#  116 GLN  HN          116 GLN  HG-         3.50    (#   3819:25  Unique         2.34, 3.00 A)
 &rst
  ixpk= 3819, nxpk= 25, iat=1748,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1755,1756,
 &end
#
#  117 ALA  HN          117 ALA  HA          2.80    (#   3820:25  Unique         2.92, 2.93 A)
 &rst
  ixpk= 3820, nxpk= 25, iat=1765,1767, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  118 LEU  HN          117 ALA  HA          3.50    (#   3821:25  Unique         3.55, 3.60 A)
 &rst
  ixpk= 3821, nxpk= 25, iat=1775,1767, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  120 GLU  HN          117 ALA  HA          4.50    (#   3822:25  Unique         3.51, 3.61 A)
 &rst
  ixpk= 3822, nxpk= 25, iat=1805,1767, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  121 LEU  HN          117 ALA  HA          5.50    (#   3823:25  Unique         5.58, 5.64 A)
 &rst
  ixpk= 3823, nxpk= 25, iat=1820,1767, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  120 GLU  HG+         117 ALA  HA          4.50    (#   3824:25  Unique         2.51, 3.08 A)
 &rst
  ixpk= 3824, nxpk= 25, iat=  -1,1767, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1812,1813,
 &end
#
#    0 AMB  25-2:3825   117 ALA  HA          4.50    (#   3825:25  Single Ambig)
 &rst
  ixpk= 3825, nxpk= 25, iat=  -1,1767, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1812,1813,  11,  12,
 &end
#
#  120 GLU  HB+         117 ALA  HA          4.50    (#   3826:25  Unique         3.90, 4.62 A)
 &rst
  ixpk= 3826, nxpk= 25, iat=  -1,1767, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1809,1810,
 &end
#
#  117 ALA  MB          117 ALA  HA          2.80    (#   3827:25  Unique         2.38, 2.67 A)
 &rst
  ixpk= 3827, nxpk= 25, iat=  -1,1767, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1769,1770,1771,
 &end
#
#  117 ALA  HA          117 ALA  MB          2.80    (#   3829:25  Unique         2.38, 2.67 A)
 &rst
  ixpk= 3829, nxpk= 25, iat=1767,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1769,1770,1771,
 &end
#
#  117 ALA  HN          117 ALA  MB          2.80    (#   3831:25  Unique         2.50, 3.05 A)
 &rst
  ixpk= 3831, nxpk= 25, iat=1765,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1769,1770,1771,
 &end
#
#  119 SER  HN          118 LEU  HA          4.50    (#   3832:25  Unique         3.40, 3.46 A)
 &rst
  ixpk= 3832, nxpk= 25, iat=1794,1777, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  118 LEU  HN          118 LEU  HA          3.50    (#   3833:25  Unique         2.84, 2.85 A)
 &rst
  ixpk= 3833, nxpk= 25, iat=1775,1777, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  132 LEU  HN          132 LEU  HA          3.50    (#   3834:25  Unique         2.78, 2.82 A)
 &rst
  ixpk= 3834, nxpk= 25, iat=2003,2005, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  120 GLU  HN          118 LEU  HA          5.50    (#   3835:25  Unique         3.40, 3.60 A)
 &rst
  ixpk= 3835, nxpk= 25, iat=1805,1777, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  121 LEU  HN          118 LEU  HA          3.50    (#   3836:25  Unique         3.06, 3.36 A)
 &rst
  ixpk= 3836, nxpk= 25, iat=1820,1777, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  115 ILE  HA          118 LEU  HA          5.50    (#   3837:25  Unique         5.28, 5.56 A)
 &rst
  ixpk= 3837, nxpk= 25, iat=1731,1777, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  25-2:3839   118 LEU  HA          2.80    (#   3839:25  Single Ambig)
 &rst
  ixpk= 3839, nxpk= 25, iat=  -1,1777, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1779,1780,1824,1825,
 &end
#
#    0 AMB  25-2:3840     0 AMB  25-1:3840   4.50    (#   3840:25  Double Ambig)
 &rst
  ixpk= 3840, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1779,1780,2007,2008,
 igr2=1777,2005,
 &end
#
#   83 LEU  MDY         132 LEU  HA          2.80    (#   3841:25  Unique         2.11, 4.04 A)
 &rst
  ixpk= 3841, nxpk= 25, iat=  -1,2005, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1275,1276,1277,1279,1280,1281,
 &end
#
#    0 AMB  25-2:3842   132 LEU  HA          4.50    (#   3842:25  Single Ambig)
 &rst
  ixpk= 3842, nxpk= 25, iat=  -1,2005, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1521,1522,1988,1989,1502,1503,
 &end
#
#    0 AMB  25-2:3843     0 AMB  25-1:3843   2.80    (#   3843:25  Double Ambig)
 &rst
  ixpk= 3843, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=2012,2013,2014,2016,2017,2018,2012,2013,2014,2016,
      2017,2018,1784,1785,1786,1788,1789,1790,
 igr2=2005,1777,
 &end
#
#  118 LEU  MDX           0 AMB  25-1:3844   2.80    (#   3844:25  Single Ambig)
 &rst
  ixpk= 3844, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1=1784,1785,1786,1788,1789,1790,
 igr2=1779,1780,1824,1825,
 &end
#
#    0 AMB  25-2:3848     0 AMB  25-1:3848   4.50    (#   3848:25  Double Ambig)
 &rst
  ixpk= 3848, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1588,1988,1989,
 igr2=1779,1780,1824,1825,
 &end
#
#    0 AMB  25-2:3849     0 AMB  25-1:3849   3.50    (#   3849:25  Double Ambig)
 &rst
  ixpk= 3849, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,
 igr1=2028,2029,2030,1988,1989,1502,1503,1588,
 igr2=2007,2008,2007,2008,2007,2008,1779,1780,
 &end
#
#  115 ILE  HA          118 LEU  HB+         4.50    (#   3850:25  Unique         2.48, 4.31 A)
 &rst
  ixpk= 3850, nxpk= 25, iat=1731,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1779,1780,
 &end
#
#  118 LEU  HA            0 AMB  25-1:3851   2.80    (#   3851:25  Single Ambig)
 &rst
  ixpk= 3851, nxpk= 25, iat=1777,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2=1779,1780,1824,1825,
 &end
#
#  121 LEU  HA          121 LEU  HB-         3.50    (#   3852:25  Unique         2.40, 2.73 A)
 &rst
  ixpk= 3852, nxpk= 25, iat=1822,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1824,1825,
 &end
#
#  118 LEU  HN          118 LEU  HB+         2.80    (#   3853:25  Unique         2.37, 3.08 A)
 &rst
  ixpk= 3853, nxpk= 25, iat=1775,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1779,1780,
 &end
#
#  119 SER  HN          118 LEU  HB+         3.50    (#   3854:25  Unique         2.74, 3.86 A)
 &rst
  ixpk= 3854, nxpk= 25, iat=1794,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1779,1780,
 &end
#
#  118 LEU  HN          118 LEU  HG          2.80    (#   3855:25  Unique         2.01, 2.12 A)
 &rst
  ixpk= 3855, nxpk= 25, iat=1775,1782, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  118 LEU  HA            0 AMB  25-1:3856   2.80    (#   3856:25  Single Ambig)
 &rst
  ixpk= 3856, nxpk= 25, iat=1777,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1827,1782,
 &end
#
#   98 LYS  HE-         132 LEU  MDY         4.50    (#   3858:25  Unique         2.48, 5.90 A)
 &rst
  ixpk= 3858, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1508,1509,
 igr2=2012,2013,2014,2016,2017,2018,
 &end
#
#    0 AMB  25-2:3859     0 AMB  25-1:3859   2.80    (#   3859:25  Double Ambig)
 &rst
  ixpk= 3859, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=2005,1777,1796,
 igr2=2012,2013,2014,2016,2017,2018,1784,1785,1786,1788,
      1789,1790,
 &end
#
#   62 GLY  HA+         132 LEU  MDY         3.50    (#   3860:25  Unique         3.08, 5.44 A)
 &rst
  ixpk= 3860, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 973, 974,
 igr2=2012,2013,2014,2016,2017,2018,
 &end
#
#    0 AMB  25-2:3862     0 AMB  25-1:3862   3.50    (#   3862:25  Double Ambig)
 &rst
  ixpk= 3862, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=2003,1839,1729,
 igr2=2012,2013,2014,2016,2017,2018,1784,1785,1786,1788,
      1789,1790,
 &end
#
#  120 GLU  HN          120 GLU  HA          2.80    (#   3863:25  Unique         2.86, 2.87 A)
 &rst
  ixpk= 3863, nxpk= 25, iat=1805,1807, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  121 LEU  HN          120 GLU  HA          3.50    (#   3864:25  Unique         3.38, 3.43 A)
 &rst
  ixpk= 3864, nxpk= 25, iat=1820,1807, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  123 CYS  HB+         120 GLU  HA          4.50    (#   3865:25  Unique         4.32, 5.41 A)
 &rst
  ixpk= 3865, nxpk= 25, iat=  -1,1807, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1862,1863,
 &end
#
#  120 GLU  HN          120 GLU  HB+         2.80    (#   3866:25  Unique         2.47, 3.07 A)
 &rst
  ixpk= 3866, nxpk= 25, iat=1805,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1809,1810,
 &end
#
#  120 GLU  HB+         120 GLU  HG+         2.80    (#   3868:25  Unique         2.37, 2.64 A)
 &rst
  ixpk= 3868, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1809,1810,
 igr2=1812,1813,
 &end
#
#  120 GLU  HA          120 GLU  HG+         3.50    (#   3870:25  Unique         2.51, 3.38 A)
 &rst
  ixpk= 3870, nxpk= 25, iat=1807,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1812,1813,
 &end
#
#  120 GLU  HN          120 GLU  HG+         3.50    (#   3871:25  Unique         2.20, 2.89 A)
 &rst
  ixpk= 3871, nxpk= 25, iat=1805,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1812,1813,
 &end
#
#  120 GLU  HN          120 GLU  HG-         3.50    (#   3872:25  Unique         2.20, 2.89 A)
 &rst
  ixpk= 3872, nxpk= 25, iat=1805,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1812,1813,
 &end
#
#  121 LEU  HN          120 GLU  HG+         5.50    (#   3873:25  Unique         4.32, 4.79 A)
 &rst
  ixpk= 3873, nxpk= 25, iat=1820,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1812,1813,
 &end
#
#    0 AMB  25-2:3874     0 AMB  25-1:3874   3.50    (#   3874:25  Double Ambig)
 &rst
  ixpk= 3874, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1914,1820,
 igr2=1906,1907,1812,1813,
 &end
#
#    0 AMB  25-2:3875     0 AMB  25-1:3875   3.50    (#   3875:25  Double Ambig)
 &rst
  ixpk= 3875, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1839,1581,
 igr2=1822,1602,
 &end
#
#    0 AMB  25-2:3876   121 LEU  HA          3.50    (#   3876:25  Single Ambig)
 &rst
  ixpk= 3876, nxpk= 25, iat=  -1,1822, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1820,1869,
 &end
#
#    0 AMB  25-2:3878     0 AMB  25-1:3878   2.80    (#   3878:25  Double Ambig)
 &rst
  ixpk= 3878, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1839,2003,
 igr2=1824,1825,2007,2008,
 &end
#
#  122 LEU  HN          121 LEU  HB-         3.50    (#   3879:25  Unique         2.11, 2.82 A)
 &rst
  ixpk= 3879, nxpk= 25, iat=1839,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1824,1825,
 &end
#
#  120 GLU  HN          121 LEU  HB-         5.50    (#   3880:25  Unique         4.73, 5.40 A)
 &rst
  ixpk= 3880, nxpk= 25, iat=1805,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1824,1825,
 &end
#
#  121 LEU  HN          121 LEU  HB-         3.50    (#   3881:25  Unique         2.54, 3.18 A)
 &rst
  ixpk= 3881, nxpk= 25, iat=1820,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1824,1825,
 &end
#
#  121 LEU  HN          121 LEU  HB+         2.80    (#   3882:25  Unique         2.54, 3.18 A)
 &rst
  ixpk= 3882, nxpk= 25, iat=1820,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1824,1825,
 &end
#
#  121 LEU  HA          121 LEU  HB+         3.50    (#   3883:25  Unique         2.40, 2.73 A)
 &rst
  ixpk= 3883, nxpk= 25, iat=1822,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1824,1825,
 &end
#
#    0 AMB  25-2:3886   121 LEU  MDX         4.50    (#   3886:25  Single Ambig)
 &rst
  ixpk= 3886, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=2236,1839,
 igr2=1829,1830,1831,1833,1834,1835,
 &end
#
#  121 LEU  HN          121 LEU  MDX         5.50    (#   3887:25  Unique         3.20, 4.60 A)
 &rst
  ixpk= 3887, nxpk= 25, iat=1820,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1829,1830,1831,1833,1834,1835,
 &end
#
#  121 LEU  HA          121 LEU  MDX         4.50    (#   3888:25  Unique         2.30, 3.86 A)
 &rst
  ixpk= 3888, nxpk= 25, iat=1822,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1829,1830,1831,1833,1834,1835,
 &end
#
#  118 LEU  HA          121 LEU  MDX         4.50    (#   3889:25  Unique         3.07, 4.96 A)
 &rst
  ixpk= 3889, nxpk= 25, iat=1777,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1829,1830,1831,1833,1834,1835,
 &end
#
#  144 ILE  HA          121 LEU  MDX         4.50    (#   3890:25  Unique         2.31, 4.09 A)
 &rst
  ixpk= 3890, nxpk= 25, iat=2184,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1829,1830,1831,1833,1834,1835,
 &end
#
#  146 ARG  HD+         121 LEU  MDX         5.50    (#   3891:25  Unique         3.55, 7.44 A)
 &rst
  ixpk= 3891, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=2222,2223,
 igr2=1829,1830,1831,1833,1834,1835,
 &end
#
#  121 LEU  HB+         121 LEU  MDX         2.80    (#   3892:25  Unique         2.33, 3.37 A)
 &rst
  ixpk= 3892, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1824,1825,
 igr2=1829,1830,1831,1833,1834,1835,
 &end
#
#    0 AMB  25-2:3893   121 LEU  MDX         2.80    (#   3893:25  Single Ambig)
 &rst
  ixpk= 3893, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1=1824,1825,2219,2220,
 igr2=1829,1830,1831,1833,1834,1835,
 &end
#
#    0 AMB  25-2:3894   121 LEU  MDX         2.80    (#   3894:25  Single Ambig)
 &rst
  ixpk= 3894, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1924,1925,1827,
 igr2=1829,1830,1831,1833,1834,1835,
 &end
#
#  144 ILE  QD1         121 LEU  MDX         3.50    (#   3895:25  Unique         2.16, 4.60 A)
 &rst
  ixpk= 3895, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=2195,2196,2197,
 igr2=1829,1830,1831,1833,1834,1835,
 &end
#
#  144 ILE  QD1         121 LEU  MDY         4.50    (#   3896:25  Unique         2.16, 4.60 A)
 &rst
  ixpk= 3896, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=2195,2196,2197,
 igr2=1829,1830,1831,1833,1834,1835,
 &end
#
#  146 ARG  HD+         121 LEU  MDY         5.50    (#   3897:25  Unique         3.55, 7.44 A)
 &rst
  ixpk= 3897, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=2222,2223,
 igr2=1829,1830,1831,1833,1834,1835,
 &end
#
#  121 LEU  HA          121 LEU  MDY         2.80    (#   3898:25  Unique         2.30, 3.86 A)
 &rst
  ixpk= 3898, nxpk= 25, iat=1822,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1829,1830,1831,1833,1834,1835,
 &end
#
#  121 LEU  HN          121 LEU  MDY         4.50    (#   3899:25  Unique         3.20, 4.60 A)
 &rst
  ixpk= 3899, nxpk= 25, iat=1820,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1829,1830,1831,1833,1834,1835,
 &end
#
#  122 LEU  HN          122 LEU  HA          3.50    (#   3901:25  Unique         2.80, 2.87 A)
 &rst
  ixpk= 3901, nxpk= 25, iat=1839,1841, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  123 CYS  HN          122 LEU  HA          4.50    (#   3902:25  Unique         3.28, 3.43 A)
 &rst
  ixpk= 3902, nxpk= 25, iat=1858,1841, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:3903   122 LEU  HA          3.50    (#   3903:25  Single Ambig)
 &rst
  ixpk= 3903, nxpk= 25, iat=  -1,1841, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1869,1820,
 &end
#
#  127 ILE  HB          122 LEU  HA          5.50    (#   3904:25  Unique         5.15, 5.46 A)
 &rst
  ixpk= 3904, nxpk= 25, iat=1918,1841, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  25-2:3905   122 LEU  HA          5.50    (#   3905:25  Single Ambig)
 &rst
  ixpk= 3905, nxpk= 25, iat=  -1,1841, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1873,1874,1988,1989,
 &end
#
#  122 LEU  HB+         122 LEU  HA          2.80    (#   3906:25  Unique         2.36, 2.73 A)
 &rst
  ixpk= 3906, nxpk= 25, iat=  -1,1841, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1843,1844,
 &end
#
#  122 LEU  HB-         122 LEU  HA          2.80    (#   3907:25  Unique         2.36, 2.73 A)
 &rst
  ixpk= 3907, nxpk= 25, iat=  -1,1841, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1843,1844,
 &end
#
#    0 AMB  25-2:3908   122 LEU  HA          2.80    (#   3908:25  Single Ambig)
 &rst
  ixpk= 3908, nxpk= 25, iat=  -1,1841, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1942,1943,1944,1946,1947,1948,1942,1943,1944,1946,
      1947,1948,
 &end
#
#    0 AMB  25-2:3909   122 LEU  HA          2.80    (#   3909:25  Single Ambig)
 &rst
  ixpk= 3909, nxpk= 25, iat=  -1,1841, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15,
 igr1= 984, 985, 986, 988, 989, 990,1920,1921,1922, 937,
       938, 939, 941, 942, 943,
 &end
#
#  122 LEU  MDX         122 LEU  HA          2.80    (#   3910:25  Unique         2.14, 3.62 A)
 &rst
  ixpk= 3910, nxpk= 25, iat=  -1,1841, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1848,1849,1850,1852,1853,1854,
 &end
#
#  122 LEU  MDX         122 LEU  HB+         2.80    (#   3911:25  Unique         2.24, 3.38 A)
 &rst
  ixpk= 3911, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1848,1849,1850,1852,1853,1854,
 igr2=1843,1844,
 &end
#
#  122 LEU  HG          122 LEU  HB-         2.80    (#   3912:25  Unique         2.33, 2.68 A)
 &rst
  ixpk= 3912, nxpk= 25, iat=1846,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1843,1844,
 &end
#
#  122 LEU  MDX         122 LEU  HB-         2.80    (#   3913:25  Unique         2.24, 3.38 A)
 &rst
  ixpk= 3913, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1848,1849,1850,1852,1853,1854,
 igr2=1843,1844,
 &end
#
#  122 LEU  HG          122 LEU  HB+         2.80    (#   3914:25  Unique         2.33, 2.68 A)
 &rst
  ixpk= 3914, nxpk= 25, iat=1846,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1843,1844,
 &end
#
#  122 LEU  HA          122 LEU  HB-         2.80    (#   3915:25  Unique         2.36, 2.73 A)
 &rst
  ixpk= 3915, nxpk= 25, iat=1841,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1843,1844,
 &end
#
#    0 AMB  25-2:3916   122 LEU  HB-         5.50    (#   3916:25  Single Ambig)
 &rst
  ixpk= 3916, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1820,1869,
 igr2=1843,1844,
 &end
#
#  123 CYS  HN          122 LEU  HB-         5.50    (#   3917:25  Unique         2.99, 3.81 A)
 &rst
  ixpk= 3917, nxpk= 25, iat=1858,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1843,1844,
 &end
#
#  123 CYS  HN          122 LEU  HB+         4.50    (#   3918:25  Unique         2.99, 3.81 A)
 &rst
  ixpk= 3918, nxpk= 25, iat=1858,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1843,1844,
 &end
#
#  122 LEU  HN          122 LEU  HB+         3.50    (#   3920:25  Unique         2.26, 3.04 A)
 &rst
  ixpk= 3920, nxpk= 25, iat=1839,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1843,1844,
 &end
#
#  122 LEU  HN          122 LEU  HB-         3.50    (#   3921:25  Unique         2.26, 3.04 A)
 &rst
  ixpk= 3921, nxpk= 25, iat=1839,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1843,1844,
 &end
#
#  122 LEU  HN          122 LEU  HG          5.50    (#   3922:25  Unique         2.20, 2.55 A)
 &rst
  ixpk= 3922, nxpk= 25, iat=1839,1846, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  25-2:3924   122 LEU  HG          2.80    (#   3924:25  Single Ambig)
 &rst
  ixpk= 3924, nxpk= 25, iat=  -1,1846, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1565,1566,1843,1844,
 &end
#
#  101 ILE  HB          122 LEU  MDX         3.50    (#   3925:25  Unique         2.06, 3.58 A)
 &rst
  ixpk= 3925, nxpk= 25, iat=1559,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1848,1849,1850,1852,1853,1854,
 &end
#
#  122 LEU  HB-         122 LEU  MDX         2.80    (#   3926:25  Unique         2.24, 3.38 A)
 &rst
  ixpk= 3926, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1843,1844,
 igr2=1848,1849,1850,1852,1853,1854,
 &end
#
#    0 AMB  25-2:3927     0 AMB  25-1:3927   2.80    (#   3927:25  Double Ambig)
 &rst
  ixpk= 3927, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=1841, 618, 619,
 igr2=1848,1849,1850,1852,1853,1854,1152,1153,1154,1156,
      1157,1158,
 &end
#
#  122 LEU  HN          122 LEU  MDX         3.50    (#   3928:25  Unique         2.07, 4.20 A)
 &rst
  ixpk= 3928, nxpk= 25, iat=1839,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1848,1849,1850,1852,1853,1854,
 &end
#
#  123 CYS  HN          123 CYS  HA          3.50    (#   3929:25  Unique         2.97, 2.97 A)
 &rst
  ixpk= 3929, nxpk= 25, iat=1858,1860, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  124 GLU  HN          123 CYS  HA          2.80    (#   3930:25  Unique         2.89, 2.92 A)
 &rst
  ixpk= 3930, nxpk= 25, iat=1869,1860, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   85 GLU  HA           16 HIS  HA          5.50    (#   3932:25  Unique         4.81, 5.07 A)
 &rst
  ixpk= 3932, nxpk= 25, iat=1306, 246, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  123 CYS  HB+         123 CYS  HA          2.80    (#   3933:25  Unique         2.41, 2.73 A)
 &rst
  ixpk= 3933, nxpk= 25, iat=  -1,1860, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1862,1863,
 &end
#
#    0 AMB  25-2:3935   123 CYS  HA          4.50    (#   3935:25  Single Ambig)
 &rst
  ixpk= 3935, nxpk= 25, iat=  -1,1860, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=1942,1943,1944,1946,1947,1948,1942,1943,1944,1946,
      1947,1948, 937, 938, 939, 941, 942, 943,
 &end
#
#    0 AMB  25-2:3936    16 HIS  HA          4.50    (#   3936:25  Single Ambig)
 &rst
  ixpk= 3936, nxpk= 25, iat=  -1, 246, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 215, 216, 217, 219, 220, 221,1294,1295,1296,1298,
      1299,1300,
 &end
#
#  123 CYS  HN          123 CYS  HB+         2.80    (#   3937:25  Unique         2.59, 3.26 A)
 &rst
  ixpk= 3937, nxpk= 25, iat=1858,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1862,1863,
 &end
#
#    0 AMB  25-2:3938     0 AMB  25-1:3938   4.50    (#   3938:25  Double Ambig)
 &rst
  ixpk= 3938, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1869,1820,
 igr2=1862,1863,1862,1863,
 &end
#
#  123 CYS  HA          123 CYS  HB+         2.80    (#   3940:25  Unique         2.41, 2.73 A)
 &rst
  ixpk= 3940, nxpk= 25, iat=1860,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1862,1863,
 &end
#
#  120 GLU  HA          123 CYS  HB+         4.50    (#   3941:25  Unique         4.32, 5.41 A)
 &rst
  ixpk= 3941, nxpk= 25, iat=1807,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1862,1863,
 &end
#
#   42 TYR  HA           72 CYS  HB+         3.50    (#   3942:25  Unique         2.51, 3.11 A)
 &rst
  ixpk= 3942, nxpk= 25, iat= 656,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1119,1120,
 &end
#
#   70 PRO  HD-          69 ARG  HA          2.80    (#   3943:25  Unique         2.12, 2.44 A)
 &rst
  ixpk= 3943, nxpk= 25, iat=  -1,1064, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1087,1088,
 &end
#
#   70 PRO  HD+          69 ARG  HA          2.80    (#   3944:25  Unique         2.12, 2.44 A)
 &rst
  ixpk= 3944, nxpk= 25, iat=  -1,1064, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1087,1088,
 &end
#
#   69 ARG  HN           69 ARG  HA          3.50    (#   3945:25  Unique         2.82, 2.86 A)
 &rst
  ixpk= 3945, nxpk= 25, iat=1062,1064, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:3946     0 AMB  25-1:3946   3.50    (#   3946:25  Double Ambig)
 &rst
  ixpk= 3946, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 560,   2,
 igr2= 540,  23,
 &end
#
#  124 GLU  HA          124 GLU  HB+         2.80    (#   3947:25  Unique         2.53, 2.80 A)
 &rst
  ixpk= 3947, nxpk= 25, iat=1871,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1873,1874,
 &end
#
#    0 AMB  25-2:3948     0 AMB  25-1:3948   3.50    (#   3948:25  Double Ambig)
 &rst
  ixpk= 3948, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1=1924,1925,1502,1503,
 igr2=1873,1874,1308,1309,
 &end
#
#    0 AMB  25-2:3949     0 AMB  25-1:3949   2.80    (#   3949:25  Double Ambig)
 &rst
  ixpk= 3949, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1827,1924,1925,
 igr2=1809,1810,1873,1874,
 &end
#
#    0 AMB  25-2:3950     0 AMB  25-1:3950   2.80    (#   3950:25  Double Ambig)
 &rst
  ixpk= 3950, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=1927,1928,1929,1829,1830,1831,1833,1834,1835,
 igr2=1873,1874,1809,1810,
 &end
#
#  127 ILE  QD1         124 GLU  HG-         3.50    (#   3951:25  Unique         2.31, 4.44 A)
 &rst
  ixpk= 3951, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1927,1928,1929,
 igr2=1876,1877,
 &end
#
#  121 LEU  MDY         124 GLU  HG-         4.50    (#   3952:25  Unique         4.94, 7.81 A)
 &rst
  ixpk= 3952, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1829,1830,1831,1833,1834,1835,
 igr2=1876,1877,
 &end
#
#  127 ILE  HG1+        124 GLU  HG+         4.50    (#   3953:25  Unique         3.62, 5.25 A)
 &rst
  ixpk= 3953, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1924,1925,
 igr2=1876,1877,
 &end
#
#  127 ILE  HG1+        124 GLU  HG-         5.50    (#   3954:25  Unique         3.62, 5.25 A)
 &rst
  ixpk= 3954, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1924,1925,
 igr2=1876,1877,
 &end
#
#    0 AMB  25-2:3955   124 GLU  HG-         3.50    (#   3955:25  Single Ambig)
 &rst
  ixpk= 3955, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1914,1869,
 igr2=1876,1877,
 &end
#
#  125 GLU  HN          124 GLU  HG+         4.50    (#   3956:25  Unique         3.92, 5.01 A)
 &rst
  ixpk= 3956, nxpk= 25, iat=1884,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1876,1877,
 &end
#
#  126 GLU  HN          125 GLU  HA          3.50    (#   3958:25  Unique         3.49, 3.50 A)
 &rst
  ixpk= 3958, nxpk= 25, iat=1899,1886, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  125 GLU  HN          125 GLU  HA          3.50    (#   3959:25  Unique         2.75, 2.79 A)
 &rst
  ixpk= 3959, nxpk= 25, iat=1884,1886, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  125 GLU  HN          125 GLU  HB+         2.80    (#   3960:25  Unique         2.42, 3.05 A)
 &rst
  ixpk= 3960, nxpk= 25, iat=1884,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1888,1889,
 &end
#
#  126 GLU  HN          125 GLU  HG+         3.50    (#   3962:25  Unique         2.50, 2.95 A)
 &rst
  ixpk= 3962, nxpk= 25, iat=1899,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1891,1892,
 &end
#
#  125 GLU  HN          125 GLU  HG+         2.80    (#   3965:25  Unique         2.21, 2.93 A)
 &rst
  ixpk= 3965, nxpk= 25, iat=1884,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1891,1892,
 &end
#
#    0 AMB  25-2:3967     0 AMB  25-1:3967   2.80    (#   3967:25  Double Ambig)
 &rst
  ixpk= 3967, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1906,1907, 386,
 igr2=1901, 403,
 &end
#
#  126 GLU  HB+         126 GLU  HA          2.80    (#   3968:25  Unique         2.44, 2.77 A)
 &rst
  ixpk= 3968, nxpk= 25, iat=  -1,1901, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1903,1904,
 &end
#
#   26 ASP  HB+          26 ASP  HA          2.80    (#   3969:25  Unique         2.43, 2.74 A)
 &rst
  ixpk= 3969, nxpk= 25, iat=  -1, 403, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 405, 406,
 &end
#
#  127 ILE  HN          126 GLU  HA          3.50    (#   3970:25  Unique         3.54, 3.55 A)
 &rst
  ixpk= 3970, nxpk= 25, iat=1914,1901, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  126 GLU  HN          126 GLU  HB+         2.80    (#   3971:25  Unique         2.44, 3.07 A)
 &rst
  ixpk= 3971, nxpk= 25, iat=1899,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1903,1904,
 &end
#
#    0 AMB  25-2:3972     0 AMB  25-1:3972   2.80    (#   3972:25  Double Ambig)
 &rst
  ixpk= 3972, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1901,1767,
 igr2=1906,1907,1812,1813,
 &end
#
#  130 GLN  HE2+        126 GLU  HG+         4.50    (#   3973:25  Unique         5.13, 5.76 A)
 &rst
  ixpk= 3973, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1979,1980,
 igr2=1906,1907,
 &end
#
#  127 ILE  HG1+        127 ILE  HA          2.80    (#   3974:25  Unique         2.45, 3.09 A)
 &rst
  ixpk= 3974, nxpk= 25, iat=  -1,1916, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1924,1925,
 &end
#
#    0 AMB  25-2:3975   127 ILE  HA          2.80    (#   3975:25  Single Ambig)
 &rst
  ixpk= 3975, nxpk= 25, iat=  -1,1916, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1927,1928,1929,1920,1921,1922,
 &end
#
#  127 ILE  HB          127 ILE  HA          2.80    (#   3977:25  Unique         2.98, 2.99 A)
 &rst
  ixpk= 3977, nxpk= 25, iat=1918,1916, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  130 GLN  HG+         127 ILE  HA          4.50    (#   3978:25  Unique         3.45, 4.43 A)
 &rst
  ixpk= 3978, nxpk= 25, iat=  -1,1916, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1974,1975,
 &end
#
#  127 ILE  HN          127 ILE  HA          3.50    (#   3979:25  Unique         2.89, 2.89 A)
 &rst
  ixpk= 3979, nxpk= 25, iat=1914,1916, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  130 GLN  HN          127 ILE  HA          3.50    (#   3980:25  Unique         3.09, 3.27 A)
 &rst
  ixpk= 3980, nxpk= 25, iat=1967,1916, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   62 GLY  HN           95 GLU  HG+         3.50    (#   3981:25  Unique         2.44, 3.32 A)
 &rst
  ixpk= 3981, nxpk= 25, iat= 971,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1454,1455,
 &end
#
#   95 GLU  HN           95 GLU  HG+         3.50    (#   3982:25  Unique         2.82, 3.64 A)
 &rst
  ixpk= 3982, nxpk= 25, iat=1447,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1454,1455,
 &end
#
#  128 LEU  HN          127 ILE  HB          2.80    (#   3983:25  Unique         2.67, 2.79 A)
 &rst
  ixpk= 3983, nxpk= 25, iat=1933,1918, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  127 ILE  HN          127 ILE  HB          2.80    (#   3984:25  Unique         2.18, 2.23 A)
 &rst
  ixpk= 3984, nxpk= 25, iat=1914,1918, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   95 GLU  HA           95 GLU  HG+         3.50    (#   3985:25  Unique         2.44, 3.61 A)
 &rst
  ixpk= 3985, nxpk= 25, iat=1449,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1454,1455,
 &end
#
#   62 GLY  HA+          95 GLU  HG+         3.50    (#   3986:25  Unique         2.70, 3.81 A)
 &rst
  ixpk= 3986, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 973, 974,
 igr2=1454,1455,
 &end
#
#   61 PRO  HA           95 GLU  HG+         3.50    (#   3987:25  Unique         2.52, 4.06 A)
 &rst
  ixpk= 3987, nxpk= 25, iat= 967,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1454,1455,
 &end
#
#    0 AMB  25-2:3988     0 AMB  25-1:3988   2.80    (#   3988:25  Double Ambig)
 &rst
  ixpk= 3988, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.61, r4= 5.36,
 igr1=1463,1464,1916,1969,
 igr2=1454,1455,1918,1959,1960,
 &end
#
#   96 PRO  HD+          95 GLU  HG+         2.80    (#   3989:25  Unique         2.28, 4.13 A)
 &rst
  ixpk= 3989, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1463,1464,
 igr2=1454,1455,
 &end
#
#  127 ILE  HG1-        127 ILE  HB          2.80    (#   3990:25  Unique         2.39, 2.73 A)
 &rst
  ixpk= 3990, nxpk= 25, iat=  -1,1918, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1924,1925,
 &end
#
#  127 ILE  HG1+        127 ILE  HB          2.80    (#   3991:25  Unique         2.39, 2.73 A)
 &rst
  ixpk= 3991, nxpk= 25, iat=  -1,1918, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1924,1925,
 &end
#
#  129 GLU  HA          129 GLU  HG+         3.50    (#   3992:25  Unique         2.31, 2.57 A)
 &rst
  ixpk= 3992, nxpk= 25, iat=1954,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1959,1960,
 &end
#
#    0 AMB  25-2:3993   127 ILE  HG1-        2.80    (#   3993:25  Single Ambig)
 &rst
  ixpk= 3993, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
 igr1=1920,1921,1922,1927,1928,1929,1829,1830,1831,1833,
      1834,1835,2169,2170,2171,
 igr2=1924,1925,
 &end
#
#    0 AMB  25-2:3994     0 AMB  25-1:3994   2.80    (#   3994:25  Double Ambig)
 &rst
  ixpk= 3994, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
 igr1=1920,1921,1922,1927,1928,1929,1829,1830,1831,1833,
      1834,1835,2169,2170,2171,
 igr2=1924,1925,1924,1925,1924,1925,1924,1925,
 &end
#
#  127 ILE  HB          127 ILE  HG1+        2.80    (#   3997:25  Unique         2.39, 2.73 A)
 &rst
  ixpk= 3997, nxpk= 25, iat=1918,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1924,1925,
 &end
#
#   79 MET  HG+         103 LEU  HG          3.50    (#   3998:25  Unique         2.06, 2.45 A)
 &rst
  ixpk= 3998, nxpk= 25, iat=  -1,1588, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1212,1213,
 &end
#
#  127 ILE  HA          127 ILE  HG1-        3.50    (#   4000:25  Unique         2.45, 3.09 A)
 &rst
  ixpk= 4000, nxpk= 25, iat=1916,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1924,1925,
 &end
#
#  127 ILE  HA          127 ILE  HG1+        3.50    (#   4001:25  Unique         2.45, 3.09 A)
 &rst
  ixpk= 4001, nxpk= 25, iat=1916,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1924,1925,
 &end
#
#  127 ILE  HN          127 ILE  QD1         4.50    (#   4004:25  Unique         2.37, 3.11 A)
 &rst
  ixpk= 4004, nxpk= 25, iat=1914,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1927,1928,1929,
 &end
#
#  127 ILE  HA          127 ILE  QD1         2.80    (#   4005:25  Unique         2.56, 3.42 A)
 &rst
  ixpk= 4005, nxpk= 25, iat=1916,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1927,1928,1929,
 &end
#
#  146 ARG  HD+         127 ILE  QD1         5.50    (#   4006:25  Unique         2.32, 4.95 A)
 &rst
  ixpk= 4006, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=2222,2223,
 igr2=1927,1928,1929,
 &end
#
#  124 GLU  HG+         127 ILE  QD1         4.50    (#   4007:25  Unique         2.31, 4.44 A)
 &rst
  ixpk= 4007, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1876,1877,
 igr2=1927,1928,1929,
 &end
#
#  127 ILE  HB          127 ILE  QD1         2.80    (#   4008:25  Unique         2.63, 3.31 A)
 &rst
  ixpk= 4008, nxpk= 25, iat=1918,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1927,1928,1929,
 &end
#
#  124 GLU  HB+         127 ILE  QD1         2.80    (#   4009:25  Unique         2.27, 4.08 A)
 &rst
  ixpk= 4009, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1873,1874,
 igr2=1927,1928,1929,
 &end
#
#    0 AMB  25-2:4010   127 ILE  QD1         4.50    (#   4010:25  Single Ambig)
 &rst
  ixpk= 4010, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=2173,2174,1824,1825,
 igr2=1927,1928,1929,
 &end
#
#  127 ILE  HG1-        127 ILE  QD1         2.80    (#   4011:25  Unique         2.34, 2.64 A)
 &rst
  ixpk= 4011, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1924,1925,
 igr2=1927,1928,1929,
 &end
#
#  127 ILE  HG1+        127 ILE  QD1         2.80    (#   4012:25  Unique         2.34, 2.64 A)
 &rst
  ixpk= 4012, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1924,1925,
 igr2=1927,1928,1929,
 &end
#
#   46 ILE  HG1+         46 ILE  QG2         2.80    (#   4013:25  Unique         2.36, 3.52 A)
 &rst
  ixpk= 4013, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 731, 732,
 igr2= 727, 728, 729,
 &end
#
#  127 ILE  HG1-        127 ILE  QG2         2.80    (#   4014:25  Unique         2.30, 3.05 A)
 &rst
  ixpk= 4014, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1924,1925,
 igr2=1920,1921,1922,
 &end
#
#  127 ILE  HG1+        127 ILE  QG2         2.80    (#   4015:25  Unique         2.30, 3.05 A)
 &rst
  ixpk= 4015, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1924,1925,
 igr2=1920,1921,1922,
 &end
#
#  127 ILE  HB          127 ILE  QG2         2.80    (#   4016:25  Unique         2.33, 2.65 A)
 &rst
  ixpk= 4016, nxpk= 25, iat=1918,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1920,1921,1922,
 &end
#
#  121 LEU  HA          127 ILE  QG2         4.50    (#   4018:25  Unique         2.15, 3.07 A)
 &rst
  ixpk= 4018, nxpk= 25, iat=1822,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1920,1921,1922,
 &end
#
#    0 AMB  25-2:4019   127 ILE  QG2         3.50    (#   4019:25  Single Ambig)
 &rst
  ixpk= 4019, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1914,1869,1820,
 igr2=1920,1921,1922,
 &end
#
#  128 LEU  HN          127 ILE  QG2         3.50    (#   4024:25  Unique         3.14, 4.05 A)
 &rst
  ixpk= 4024, nxpk= 25, iat=1933,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1920,1921,1922,
 &end
#
#  128 LEU  HN          128 LEU  HA          2.80    (#   4025:25  Unique         2.74, 2.77 A)
 &rst
  ixpk= 4025, nxpk= 25, iat=1933,1935, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  129 GLU  HN          128 LEU  HA          3.50    (#   4027:25  Unique         3.55, 3.57 A)
 &rst
  ixpk= 4027, nxpk= 25, iat=1952,1935, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:4029     0 AMB  25-1:4029   2.80    (#   4029:25  Double Ambig)
 &rst
  ixpk= 4029, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 286, 287,1937,1938,
 igr2= 284,1935,
 &end
#
#    0 AMB  25-2:4030   128 LEU  HA          2.80    (#   4030:25  Single Ambig)
 &rst
  ixpk= 4030, nxpk= 25, iat=  -1,1935, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1940,1937,1938,
 &end
#
#    0 AMB  25-2:4031   128 LEU  HA          2.80    (#   4031:25  Single Ambig)
 &rst
  ixpk= 4031, nxpk= 25, iat=  -1,1935, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1942,1943,1944,1946,1947,1948,1942,1943,1944,1946,
      1947,1948,
 &end
#
#  131 LEU  MDX         128 LEU  HA          2.80    (#   4032:25  Unique         2.07, 4.59 A)
 &rst
  ixpk= 4032, nxpk= 25, iat=  -1,1935, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1993,1994,1995,1997,1998,1999,
 &end
#
#    0 AMB  25-2:4033   128 LEU  HB-         2.80    (#   4033:25  Single Ambig)
 &rst
  ixpk= 4033, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=1942,1943,1944,1946,1947,1948,1942,1943,1944,1946,
      1947,1948, 984, 985, 986, 988, 989, 990,
 igr2=1937,1938,
 &end
#
#    0 AMB  25-2:4034     0 AMB  25-1:4034   2.80    (#   4034:25  Double Ambig)
 &rst
  ixpk= 4034, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.11, r4= 6.86,
 igr1=1942,1943,1944,1946,1947,1948,1942,1943,1944,1946,
      1947,1948, 984, 985, 986, 988, 989, 990,
 igr2=1937,1938,1937,1938,1937,1938,
 &end
#
#    0 AMB  25-2:4035   128 LEU  HB-         2.80    (#   4035:25  Single Ambig)
 &rst
  ixpk= 4035, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1886,1935,
 igr2=1937,1938,
 &end
#
#    0 AMB  25-2:4036     0 AMB  25-1:4036   2.80    (#   4036:25  Double Ambig)
 &rst
  ixpk= 4036, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1886,1935,
 igr2=1937,1938,1937,1938,
 &end
#
#    0 AMB  25-2:4037   128 LEU  HB-         4.50    (#   4037:25  Single Ambig)
 &rst
  ixpk= 4037, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1914,1869,
 igr2=1937,1938,
 &end
#
#    0 AMB  25-2:4038     0 AMB  25-1:4038   4.50    (#   4038:25  Double Ambig)
 &rst
  ixpk= 4038, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1914,1869,
 igr2=1937,1938,1937,1938,
 &end
#
#  129 GLU  HN          128 LEU  HB-         2.80    (#   4039:25  Unique         2.63, 3.13 A)
 &rst
  ixpk= 4039, nxpk= 25, iat=1952,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1937,1938,
 &end
#
#  128 LEU  HN          128 LEU  HB-         2.80    (#   4040:25  Unique         2.40, 3.11 A)
 &rst
  ixpk= 4040, nxpk= 25, iat=1933,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1937,1938,
 &end
#
#  129 GLU  HN          128 LEU  HB+         3.50    (#   4041:25  Unique         2.63, 3.13 A)
 &rst
  ixpk= 4041, nxpk= 25, iat=1952,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1937,1938,
 &end
#
#  128 LEU  HN          128 LEU  HB+         2.80    (#   4042:25  Unique         2.40, 3.11 A)
 &rst
  ixpk= 4042, nxpk= 25, iat=1933,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1937,1938,
 &end
#
#  128 LEU  HN          128 LEU  HG          3.50    (#   4043:25  Unique         2.25, 2.67 A)
 &rst
  ixpk= 4043, nxpk= 25, iat=1933,1940, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:4044   128 LEU  HG          2.80    (#   4044:25  Single Ambig)
 &rst
  ixpk= 4044, nxpk= 25, iat=  -1,1940, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1935,1886,
 &end
#
#    0 AMB  25-2:4045   128 LEU  MDX         2.80    (#   4045:25  Single Ambig)
 &rst
  ixpk= 4045, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1935,1886,
 igr2=1942,1943,1944,1946,1947,1948,
 &end
#
#  128 LEU  HN          128 LEU  MDX         4.50    (#   4046:25  Unique         2.18, 4.30 A)
 &rst
  ixpk= 4046, nxpk= 25, iat=1933,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1942,1943,1944,1946,1947,1948,
 &end
#
#  128 LEU  HN          128 LEU  MDY         4.50    (#   4047:25  Unique         2.18, 4.30 A)
 &rst
  ixpk= 4047, nxpk= 25, iat=1933,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1942,1943,1944,1946,1947,1948,
 &end
#
#    0 AMB  25-2:4048     0 AMB  25-1:4048   2.80    (#   4048:25  Double Ambig)
 &rst
  ixpk= 4048, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
 igr1=1841,1935,1886,2238,2239,
 igr2=1942,1943,1944,1946,1947,1948,1829,1830,1831,1833,
      1834,1835,
 &end
#
#    0 AMB  25-2:4049     0 AMB  25-1:4049   3.50    (#   4049:25  Double Ambig)
 &rst
  ixpk= 4049, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1760,1761,1967,
 igr2=1750,1954,
 &end
#
#  133 THR  HN          129 GLU  HA          4.50    (#   4050:25  Unique         3.89, 4.26 A)
 &rst
  ixpk= 4050, nxpk= 25, iat=2022,1954, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:4051   138 LYS  HA          2.80    (#   4051:25  Single Ambig)
 &rst
  ixpk= 4051, nxpk= 25, iat=  -1,2085, r1= 0.00, r2= 1.80, r3= 3.66, r4= 4.41,
 igr1=2090,2091,2145,2146,2147,
 &end
#
#  138 LYS  HB-         138 LYS  HA          2.80    (#   4052:25  Unique         2.43, 2.77 A)
 &rst
  ixpk= 4052, nxpk= 25, iat=  -1,2085, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=2087,2088,
 &end
#
#    0 AMB  25-2:4053   138 LYS  HA          2.80    (#   4053:25  Single Ambig)
 &rst
  ixpk= 4053, nxpk= 25, iat=  -1,2085, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=2093,2094,2087,2088,
 &end
#
#    0 AMB  25-2:4055     0 AMB  25-1:4055   2.80    (#   4055:25  Double Ambig)
 &rst
  ixpk= 4055, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1959,1960,1752,1753,
 igr2=1954,1750,
 &end
#
#  129 GLU  HN          129 GLU  HB-         2.80    (#   4058:25  Unique         2.10, 2.85 A)
 &rst
  ixpk= 4058, nxpk= 25, iat=1952,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1956,1957,
 &end
#
#  130 GLN  HN          130 GLN  HA          2.80    (#   4059:25  Unique         2.87, 2.88 A)
 &rst
  ixpk= 4059, nxpk= 25, iat=1967,1969, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  130 GLN  HE2+        130 GLN  HA          5.50    (#   4060:25  Unique         4.70, 5.40 A)
 &rst
  ixpk= 4060, nxpk= 25, iat=  -1,1969, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1979,1980,
 &end
#
#  130 GLN  HG+         130 GLN  HA          3.50    (#   4062:25  Unique         2.41, 2.65 A)
 &rst
  ixpk= 4062, nxpk= 25, iat=  -1,1969, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1974,1975,
 &end
#
#  130 GLN  HB+         130 GLN  HA          2.80    (#   4063:25  Unique         2.52, 2.80 A)
 &rst
  ixpk= 4063, nxpk= 25, iat=  -1,1969, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1971,1972,
 &end
#
#    0 AMB  25-2:4064   130 GLN  HA          2.80    (#   4064:25  Single Ambig)
 &rst
  ixpk= 4064, nxpk= 25, iat=  -1,1969, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1974,1975,1971,1972,
 &end
#
#    0 AMB  25-2:4065   130 GLN  HB-         3.50    (#   4065:25  Single Ambig)
 &rst
  ixpk= 4065, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=2176,2177,2178,2169,2170,2171,
 igr2=1971,1972,
 &end
#
#    0 AMB  25-2:4066     0 AMB  25-1:4066   2.80    (#   4066:25  Double Ambig)
 &rst
  ixpk= 4066, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1=2176,2177,2178,2169,2170,2171,
 igr2=1971,1972,1971,1972,
 &end
#
#  130 GLN  HG+         130 GLN  HB-         3.50    (#   4069:25  Unique         2.37, 2.76 A)
 &rst
  ixpk= 4069, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1974,1975,
 igr2=1971,1972,
 &end
#
#  130 GLN  HG+         130 GLN  HB+         2.80    (#   4070:25  Unique         2.37, 2.76 A)
 &rst
  ixpk= 4070, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1974,1975,
 igr2=1971,1972,
 &end
#
#    0 AMB  25-2:4071   130 GLN  HB-         2.80    (#   4071:25  Single Ambig)
 &rst
  ixpk= 4071, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1916,1969,
 igr2=1971,1972,
 &end
#
#    0 AMB  25-2:4072     0 AMB  25-1:4072   2.80    (#   4072:25  Double Ambig)
 &rst
  ixpk= 4072, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=2070,1969,
 igr2=2072,2073,1971,1972,
 &end
#
#  130 GLN  HN          130 GLN  HB-         2.80    (#   4073:25  Unique         2.21, 2.89 A)
 &rst
  ixpk= 4073, nxpk= 25, iat=1967,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1971,1972,
 &end
#
#  130 GLN  HN          130 GLN  HB+         2.80    (#   4074:25  Unique         2.21, 2.89 A)
 &rst
  ixpk= 4074, nxpk= 25, iat=1967,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1971,1972,
 &end
#
#  131 LEU  HN          130 GLN  HB+         3.50    (#   4075:25  Unique         2.63, 3.28 A)
 &rst
  ixpk= 4075, nxpk= 25, iat=1984,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1971,1972,
 &end
#
#  131 LEU  HN          130 GLN  HG-         4.50    (#   4078:25  Unique         4.47, 4.90 A)
 &rst
  ixpk= 4078, nxpk= 25, iat=1984,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1974,1975,
 &end
#
#  131 LEU  HN          130 GLN  HG+         4.50    (#   4079:25  Unique         4.47, 4.90 A)
 &rst
  ixpk= 4079, nxpk= 25, iat=1984,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1974,1975,
 &end
#
#  129 GLU  HN          130 GLN  HG+         5.50    (#   4080:25  Unique         4.29, 5.32 A)
 &rst
  ixpk= 4080, nxpk= 25, iat=1952,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1974,1975,
 &end
#
#  130 GLN  HN          130 GLN  HG+         3.50    (#   4081:25  Unique         2.42, 3.20 A)
 &rst
  ixpk= 4081, nxpk= 25, iat=1967,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1974,1975,
 &end
#
#  130 GLN  HN          130 GLN  HG-         3.50    (#   4082:25  Unique         2.42, 3.20 A)
 &rst
  ixpk= 4082, nxpk= 25, iat=1967,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1974,1975,
 &end
#
#  130 GLN  HE2+        130 GLN  HG+         3.50    (#   4083:25  Unique         2.19, 3.34 A)
 &rst
  ixpk= 4083, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1979,1980,
 igr2=1974,1975,
 &end
#
#  130 GLN  HE2+        130 GLN  HG-         4.50    (#   4084:25  Unique         2.19, 3.34 A)
 &rst
  ixpk= 4084, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1979,1980,
 igr2=1974,1975,
 &end
#
#  130 GLN  HE2-        130 GLN  HG+         4.50    (#   4085:25  Unique         2.19, 3.34 A)
 &rst
  ixpk= 4085, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1979,1980,
 igr2=1974,1975,
 &end
#
#  130 GLN  HE2-        130 GLN  HG-         4.50    (#   4086:25  Unique         2.19, 3.34 A)
 &rst
  ixpk= 4086, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1979,1980,
 igr2=1974,1975,
 &end
#
#  130 GLN  HA          130 GLN  HG+         3.50    (#   4087:25  Unique         2.41, 2.65 A)
 &rst
  ixpk= 4087, nxpk= 25, iat=1969,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1974,1975,
 &end
#
#  130 GLN  HA          130 GLN  HG-         2.80    (#   4088:25  Unique         2.41, 2.65 A)
 &rst
  ixpk= 4088, nxpk= 25, iat=1969,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1974,1975,
 &end
#
#  130 GLN  HB+         130 GLN  HG+         2.80    (#   4092:25  Unique         2.37, 2.76 A)
 &rst
  ixpk= 4092, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1971,1972,
 igr2=1974,1975,
 &end
#
#  130 GLN  HB+         130 GLN  HG-         2.80    (#   4093:25  Unique         2.37, 2.76 A)
 &rst
  ixpk= 4093, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1971,1972,
 igr2=1974,1975,
 &end
#
#    0 AMB  25-2:4094     0 AMB  25-1:4094   3.50    (#   4094:25  Double Ambig)
 &rst
  ixpk= 4094, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.49, r4= 8.24,
 igr1=2176,2177,2178,1927,1928,1929,1920,1921,1922,2169,
      2170,2171,
 igr2=1974,1975,1974,1975,1974,1975,1974,1975,
 &end
#
#    0 AMB  25-2:4096   130 GLN  HG-         3.50    (#   4096:25  Single Ambig)
 &rst
  ixpk= 4096, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1=2176,2177,2178,1927,1928,1929,1920,1921,1922,2169,
      2170,2171,
 igr2=1974,1975,
 &end
#
#  143 ILE  QD1           0 AMB  25-1:4097   2.80    (#   4097:25  Single Ambig)
 &rst
  ixpk= 4097, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=2176,2177,2178,
 igr2=2124,1986,
 &end
#
#  131 LEU  HB-         131 LEU  HA          2.80    (#   4099:25  Unique         2.40, 2.74 A)
 &rst
  ixpk= 4099, nxpk= 25, iat=  -1,1986, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1988,1989,
 &end
#
#  134 ALA  MB          131 LEU  HA          2.80    (#   4100:25  Unique         2.35, 3.43 A)
 &rst
  ixpk= 4100, nxpk= 25, iat=  -1,1986, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=2040,2041,2042,
 &end
#
#    0 AMB  25-2:4101     0 AMB  25-1:4101   3.50    (#   4101:25  Double Ambig)
 &rst
  ixpk= 4101, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1991,2173,2174,
 igr2=1986,2124,
 &end
#
#    0 AMB  25-2:4102     0 AMB  25-1:4102   2.80    (#   4102:25  Double Ambig)
 &rst
  ixpk= 4102, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1984,2141,
 igr2=1986,2124,
 &end
#
#  131 LEU  HN          131 LEU  HB+         3.50    (#   4103:25  Unique         2.38, 3.08 A)
 &rst
  ixpk= 4103, nxpk= 25, iat=1984,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1988,1989,
 &end
#
#  132 LEU  HN          131 LEU  HB+         3.50    (#   4104:25  Unique         2.14, 2.78 A)
 &rst
  ixpk= 4104, nxpk= 25, iat=2003,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1988,1989,
 &end
#
#  128 LEU  HA          131 LEU  HB+         4.50    (#   4105:25  Unique         2.91, 3.88 A)
 &rst
  ixpk= 4105, nxpk= 25, iat=1935,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1988,1989,
 &end
#
#  131 LEU  HA          131 LEU  HB+         3.50    (#   4106:25  Unique         2.40, 2.74 A)
 &rst
  ixpk= 4106, nxpk= 25, iat=1986,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1988,1989,
 &end
#
#  131 LEU  HG          131 LEU  HB+         2.80    (#   4107:25  Unique         2.57, 2.84 A)
 &rst
  ixpk= 4107, nxpk= 25, iat=1991,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1988,1989,
 &end
#
#  131 LEU  MDX         131 LEU  HB+         2.80    (#   4109:25  Unique         2.21, 3.27 A)
 &rst
  ixpk= 4109, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1993,1994,1995,1997,1998,1999,
 igr2=1988,1989,
 &end
#
#  131 LEU  MDX         131 LEU  HB-         2.80    (#   4110:25  Unique         2.21, 3.27 A)
 &rst
  ixpk= 4110, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1993,1994,1995,1997,1998,1999,
 igr2=1988,1989,
 &end
#
#    0 AMB  25-2:4111   131 LEU  HB-         4.50    (#   4111:25  Single Ambig)
 &rst
  ixpk= 4111, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1=2131,2132,2133,2135,2136,2137,1942,1943,1944,1946,
      1947,1948,2012,2013,2014,2016,2017,2018,
 igr2=1988,1989,
 &end
#
#  131 LEU  HG          131 LEU  HB-         2.80    (#   4113:25  Unique         2.57, 2.84 A)
 &rst
  ixpk= 4113, nxpk= 25, iat=1991,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1988,1989,
 &end
#
#  131 LEU  HA          131 LEU  HB-         3.50    (#   4115:25  Unique         2.40, 2.74 A)
 &rst
  ixpk= 4115, nxpk= 25, iat=1986,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1988,1989,
 &end
#
#  128 LEU  HA          131 LEU  HB-         3.50    (#   4116:25  Unique         2.91, 3.88 A)
 &rst
  ixpk= 4116, nxpk= 25, iat=1935,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1988,1989,
 &end
#
#  132 LEU  HN          131 LEU  HB-         4.50    (#   4117:25  Unique         2.14, 2.78 A)
 &rst
  ixpk= 4117, nxpk= 25, iat=2003,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1988,1989,
 &end
#
#  131 LEU  HN          131 LEU  HB-         3.50    (#   4118:25  Unique         2.38, 3.08 A)
 &rst
  ixpk= 4118, nxpk= 25, iat=1984,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1988,1989,
 &end
#
#  104 SER  HN           32 LEU  MDX         4.50    (#   4123:25  Unique         3.17, 4.51 A)
 &rst
  ixpk= 4123, nxpk= 25, iat=1600,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 497, 498, 499, 501, 502, 503,
 &end
#
#    0 AMB  25-2:4124    32 LEU  MDX         4.50    (#   4124:25  Single Ambig)
 &rst
  ixpk= 4124, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1222, 507,
 igr2= 497, 498, 499, 501, 502, 503,
 &end
#
#  103 LEU  HN           32 LEU  MDX         4.50    (#   4125:25  Unique         3.13, 5.07 A)
 &rst
  ixpk= 4125, nxpk= 25, iat=1581,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 497, 498, 499, 501, 502, 503,
 &end
#
#   86 GLN  HN           84 LEU  MDX         4.50    (#   4126:25  Unique         3.12, 5.67 A)
 &rst
  ixpk= 4126, nxpk= 25, iat=1319,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1294,1295,1296,1298,1299,1300,
 &end
#
#   17 SER  HN           84 LEU  MDX         4.50    (#   4127:25  Unique         3.05, 5.60 A)
 &rst
  ixpk= 4127, nxpk= 25, iat= 261,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1294,1295,1296,1298,1299,1300,
 &end
#
#   79 MET  HA           32 LEU  MDX         4.50    (#   4129:25  Unique         2.37, 3.89 A)
 &rst
  ixpk= 4129, nxpk= 25, iat=1207,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 497, 498, 499, 501, 502, 503,
 &end
#
#  104 SER  HB-          32 LEU  MDX         4.50    (#   4131:25  Unique         2.16, 4.66 A)
 &rst
  ixpk= 4131, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1604,1605,
 igr2= 497, 498, 499, 501, 502, 503,
 &end
#
#  133 THR  HN          132 LEU  HA          3.50    (#   4133:25  Unique         3.38, 3.43 A)
 &rst
  ixpk= 4133, nxpk= 25, iat=2022,2005, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  134 ALA  HN          132 LEU  HA          5.50    (#   4134:25  Unique         3.73, 3.89 A)
 &rst
  ixpk= 4134, nxpk= 25, iat=2036,2005, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   98 LYS  HE-         132 LEU  HA          5.50    (#   4135:25  Unique         3.03, 5.29 A)
 &rst
  ixpk= 4135, nxpk= 25, iat=  -1,2005, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1508,1509,
 &end
#
#  132 LEU  HB-         132 LEU  HA          2.80    (#   4136:25  Unique         2.54, 2.81 A)
 &rst
  ixpk= 4136, nxpk= 25, iat=  -1,2005, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=2007,2008,
 &end
#
#    0 AMB  25-2:4137   132 LEU  HA          2.80    (#   4137:25  Single Ambig)
 &rst
  ixpk= 4137, nxpk= 25, iat=  -1,2005, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=2010,1505,1506,
 &end
#
#  132 LEU  HB+         132 LEU  HA          4.50    (#   4138:25  Unique         2.54, 2.81 A)
 &rst
  ixpk= 4138, nxpk= 25, iat=  -1,2005, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=2007,2008,
 &end
#
#  132 LEU  HN          132 LEU  HG          2.80    (#   4140:25  Unique         2.30, 2.44 A)
 &rst
  ixpk= 4140, nxpk= 25, iat=2003,2010, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  132 LEU  HA          132 LEU  HG          2.80    (#   4141:25  Unique         2.73, 2.81 A)
 &rst
  ixpk= 4141, nxpk= 25, iat=2005,2010, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  25-2:4142     0 AMB  25-1:4142   2.80    (#   4142:25  Double Ambig)
 &rst
  ixpk= 4142, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=2007,2008,1028,1029,
 igr2=2010, 731, 732,
 &end
#
#  129 GLU  HA          132 LEU  MDX         2.80    (#   4143:25  Unique         2.67, 4.91 A)
 &rst
  ixpk= 4143, nxpk= 25, iat=1954,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=2012,2013,2014,2016,2017,2018,
 &end
#
#  132 LEU  HN          132 LEU  MDX         4.50    (#   4144:25  Unique         3.58, 4.45 A)
 &rst
  ixpk= 4144, nxpk= 25, iat=2003,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=2012,2013,2014,2016,2017,2018,
 &end
#
#  119 SER  HN          118 LEU  MDX         4.50    (#   4145:25  Unique         2.09, 4.62 A)
 &rst
  ixpk= 4145, nxpk= 25, iat=1794,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1784,1785,1786,1788,1789,1790,
 &end
#
#  115 ILE  HA          118 LEU  MDX         4.50    (#   4146:25  Unique         2.28, 3.76 A)
 &rst
  ixpk= 4146, nxpk= 25, iat=1731,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1784,1785,1786,1788,1789,1790,
 &end
#
#  133 THR  HN          133 THR  HA          3.50    (#   4147:25  Unique         2.95, 2.96 A)
 &rst
  ixpk= 4147, nxpk= 25, iat=2022,2024, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  134 ALA  HN          133 THR  HA          4.50    (#   4148:25  Unique         3.15, 3.22 A)
 &rst
  ixpk= 4148, nxpk= 25, iat=2036,2024, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  133 THR  MG2         133 THR  HA          2.80    (#   4149:25  Unique         2.48, 3.13 A)
 &rst
  ixpk= 4149, nxpk= 25, iat=  -1,2024, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=2028,2029,2030,
 &end
#
#  133 THR  MG2         133 THR  HB          2.80    (#   4150:25  Unique         2.42, 2.66 A)
 &rst
  ixpk= 4150, nxpk= 25, iat=  -1,2026, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=2028,2029,2030,
 &end
#
#  134 ALA  HN          133 THR  HB          5.50    (#   4154:25  Unique         4.36, 4.47 A)
 &rst
  ixpk= 4154, nxpk= 25, iat=2036,2026, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  133 THR  HN          133 THR  HB          4.50    (#   4155:25  Unique         3.59, 3.75 A)
 &rst
  ixpk= 4155, nxpk= 25, iat=2022,2026, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  133 THR  HN          133 THR  MG2         3.50    (#   4156:25  Unique         2.76, 3.78 A)
 &rst
  ixpk= 4156, nxpk= 25, iat=2022,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=2028,2029,2030,
 &end
#
#  132 LEU  HN          133 THR  MG2         4.50    (#   4157:25  Unique         4.61, 5.71 A)
 &rst
  ixpk= 4157, nxpk= 25, iat=2003,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=2028,2029,2030,
 &end
#
#  134 ALA  HN          133 THR  MG2         4.50    (#   4158:25  Unique         4.88, 5.37 A)
 &rst
  ixpk= 4158, nxpk= 25, iat=2036,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=2028,2029,2030,
 &end
#
#    0 AMB  25-2:4160   133 THR  MG2         2.80    (#   4160:25  Single Ambig)
 &rst
  ixpk= 4160, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=2026,2024,
 igr2=2028,2029,2030,
 &end
#
#  129 GLU  HA          133 THR  MG2         4.50    (#   4161:25  Unique         3.20, 4.53 A)
 &rst
  ixpk= 4161, nxpk= 25, iat=1954,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=2028,2029,2030,
 &end
#
#  130 GLN  HA          133 THR  MG2         4.50    (#   4162:25  Unique         4.51, 5.31 A)
 &rst
  ixpk= 4162, nxpk= 25, iat=1969,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=2028,2029,2030,
 &end
#
#  129 GLU  HG+         133 THR  MG2         3.50    (#   4163:25  Unique         2.68, 5.26 A)
 &rst
  ixpk= 4163, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1959,1960,
 igr2=2028,2029,2030,
 &end
#
#  129 GLU  HB-         133 THR  MG2         3.50    (#   4164:25  Unique         3.83, 5.37 A)
 &rst
  ixpk= 4164, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1956,1957,
 igr2=2028,2029,2030,
 &end
#
#  132 LEU  HB-         133 THR  MG2         4.50    (#   4165:25  Unique         3.12, 4.47 A)
 &rst
  ixpk= 4165, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=2007,2008,
 igr2=2028,2029,2030,
 &end
#
#    0 AMB  25-2:4166   133 THR  MG2         4.50    (#   4166:25  Single Ambig)
 &rst
  ixpk= 4166, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1=2012,2013,2014,2016,2017,2018,2012,2013,2014,2016,
      2017,2018,
 igr2=2028,2029,2030,
 &end
#
#    0 AMB  25-2:4167   134 ALA  HA          5.50    (#   4167:25  Single Ambig)
 &rst
  ixpk= 4167, nxpk= 25, iat=  -1,2038, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1=2176,2177,2178, 215, 216, 217, 219, 220, 221,
 &end
#
#  140 LEU  MDX         134 ALA  HA          4.50    (#   4168:25  Unique         4.99, 6.59 A)
 &rst
  ixpk= 4168, nxpk= 25, iat=  -1,2038, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=2131,2132,2133,2135,2136,2137,
 &end
#
#  134 ALA  MB          134 ALA  HA          2.80    (#   4169:25  Unique         2.36, 2.63 A)
 &rst
  ixpk= 4169, nxpk= 25, iat=  -1,2038, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=2040,2041,2042,
 &end
#
#  139 GLN  HB+         134 ALA  HA          4.50    (#   4170:25  Unique         2.46, 3.07 A)
 &rst
  ixpk= 4170, nxpk= 25, iat=  -1,2038, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=2109,2110,
 &end
#
#  139 GLN  HB-         134 ALA  HA          4.50    (#   4171:25  Unique         2.46, 3.07 A)
 &rst
  ixpk= 4171, nxpk= 25, iat=  -1,2038, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=2109,2110,
 &end
#
#  139 GLN  HG+         134 ALA  HA          4.50    (#   4172:25  Unique         2.19, 3.69 A)
 &rst
  ixpk= 4172, nxpk= 25, iat=  -1,2038, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=2112,2113,
 &end
#
#    0 AMB  25-2:4173   134 ALA  HA          5.50    (#   4173:25  Single Ambig)
 &rst
  ixpk= 4173, nxpk= 25, iat=  -1,2038, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1=1986,2050,2051,1969,2124,
 &end
#
#    0 AMB  25-2:4174   134 ALA  HA          4.50    (#   4174:25  Single Ambig)
 &rst
  ixpk= 4174, nxpk= 25, iat=  -1,2038, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=2024,2026,
 &end
#
#  135 SER  HA          134 ALA  HA          4.50    (#   4175:25  Unique         4.43, 4.48 A)
 &rst
  ixpk= 4175, nxpk= 25, iat=2048,2038, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  134 ALA  HN          134 ALA  HA          2.80    (#   4177:25  Unique         2.80, 2.84 A)
 &rst
  ixpk= 4177, nxpk= 25, iat=2036,2038, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  136 SER  HN          134 ALA  HA          3.50    (#   4178:25  Unique         3.04, 3.45 A)
 &rst
  ixpk= 4178, nxpk= 25, iat=2057,2038, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  133 THR  HN          134 ALA  HA          5.50    (#   4179:25  Unique         4.30, 4.48 A)
 &rst
  ixpk= 4179, nxpk= 25, iat=2022,2038, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  135 SER  HN          134 ALA  HA          2.80    (#   4180:25  Unique         2.14, 2.19 A)
 &rst
  ixpk= 4180, nxpk= 25, iat=2046,2038, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  25-2:4181   134 ALA  MB          3.50    (#   4181:25  Single Ambig)
 &rst
  ixpk= 4181, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,
 igr1=1270,1271,2173,2174,1991,
 igr2=2040,2041,2042,
 &end
#
#  135 SER  HN          135 SER  HA          3.50    (#   4182:25  Unique         2.80, 2.91 A)
 &rst
  ixpk= 4182, nxpk= 25, iat=2046,2048, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  137 GLU  HN          137 GLU  HA          3.50    (#   4183:25  Unique         2.75, 2.80 A)
 &rst
  ixpk= 4183, nxpk= 25, iat=2068,2070, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  141 ALA  HN          137 GLU  HA          4.50    (#   4184:25  Unique         4.10, 4.37 A)
 &rst
  ixpk= 4184, nxpk= 25, iat=2141,2070, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  138 LYS  HN          137 GLU  HA          4.50    (#   4185:25  Unique         3.43, 3.54 A)
 &rst
  ixpk= 4185, nxpk= 25, iat=2083,2070, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  140 LEU  HN          137 GLU  HA          4.50    (#   4186:25  Unique         3.21, 3.39 A)
 &rst
  ixpk= 4186, nxpk= 25, iat=2122,2070, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  137 GLU  HB-         137 GLU  HA          2.80    (#   4188:25  Unique         2.40, 2.78 A)
 &rst
  ixpk= 4188, nxpk= 25, iat=  -1,2070, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=2072,2073,
 &end
#
#  137 GLU  HB+         137 GLU  HA          2.80    (#   4189:25  Unique         2.40, 2.78 A)
 &rst
  ixpk= 4189, nxpk= 25, iat=  -1,2070, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=2072,2073,
 &end
#
#  140 LEU  HB+         137 GLU  HA          3.50    (#   4191:25  Unique         2.74, 4.05 A)
 &rst
  ixpk= 4191, nxpk= 25, iat=  -1,2070, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=2126,2127,
 &end
#
#  140 LEU  HG          137 GLU  HA          4.50    (#   4192:25  Unique         3.15, 4.00 A)
 &rst
  ixpk= 4192, nxpk= 25, iat=2129,2070, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:4193   137 GLU  HA          4.50    (#   4193:25  Single Ambig)
 &rst
  ixpk= 4193, nxpk= 25, iat=  -1,2070, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=2040,2041,2042,2145,2146,2147,2090,2091,
 &end
#
#  140 LEU  HB-         137 GLU  HA          3.50    (#   4194:25  Unique         2.74, 4.05 A)
 &rst
  ixpk= 4194, nxpk= 25, iat=  -1,2070, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=2126,2127,
 &end
#
#   12 ILE  QG2         137 GLU  HA          2.80    (#   4195:25  Unique         2.34, 3.19 A)
 &rst
  ixpk= 4195, nxpk= 25, iat=  -1,2070, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 185, 186, 187,
 &end
#
#    0 AMB  25-2:4196   137 GLU  HA          3.50    (#   4196:25  Single Ambig)
 &rst
  ixpk= 4196, nxpk= 25, iat=  -1,2070, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 215, 216, 217, 219, 220, 221,2131,2132,2133,2135,
      2136,2137,
 &end
#
#  136 SER  HN          135 SER  HA          4.50    (#   4197:25  Unique         3.13, 3.41 A)
 &rst
  ixpk= 4197, nxpk= 25, iat=2057,2048, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:4199   135 SER  HA          4.50    (#   4199:25  Single Ambig)
 &rst
  ixpk= 4199, nxpk= 25, iat=  -1,2048, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=2038,2061,2062,
 &end
#
#  135 SER  HB+         135 SER  HA          2.80    (#   4200:25  Unique         2.33, 2.71 A)
 &rst
  ixpk= 4200, nxpk= 25, iat=  -1,2048, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=2050,2051,
 &end
#
#  135 SER  HB-         135 SER  HA          2.80    (#   4201:25  Unique         2.33, 2.71 A)
 &rst
  ixpk= 4201, nxpk= 25, iat=  -1,2048, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=2050,2051,
 &end
#
#   84 LEU  HG           17 SER  HA          4.50    (#   4203:25  Unique         2.74, 3.98 A)
 &rst
  ixpk= 4203, nxpk= 25, iat=1292, 263, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  134 ALA  MB          135 SER  HB+         5.50    (#   4205:25  Unique         5.53, 6.79 A)
 &rst
  ixpk= 4205, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=2040,2041,2042,
 igr2=2050,2051,
 &end
#
#  134 ALA  HA          135 SER  HB+         4.50    (#   4209:25  Unique         4.52, 5.16 A)
 &rst
  ixpk= 4209, nxpk= 25, iat=2038,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=2050,2051,
 &end
#
#  134 ALA  HA          135 SER  HB-         4.50    (#   4210:25  Unique         4.52, 5.16 A)
 &rst
  ixpk= 4210, nxpk= 25, iat=2038,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=2050,2051,
 &end
#
#  135 SER  HA          135 SER  HB+         2.80    (#   4211:25  Unique         2.33, 2.71 A)
 &rst
  ixpk= 4211, nxpk= 25, iat=2048,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=2050,2051,
 &end
#
#    0 AMB  25-2:4212     0 AMB  25-1:4212   2.80    (#   4212:25  Double Ambig)
 &rst
  ixpk= 4212, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 263,2048,
 igr2= 265, 266,2050,2051,
 &end
#
#  136 SER  HN          135 SER  HB+         5.50    (#   4215:25  Unique         2.95, 3.92 A)
 &rst
  ixpk= 4215, nxpk= 25, iat=2057,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=2050,2051,
 &end
#
#  135 SER  HN          135 SER  HB+         4.50    (#   4216:25  Unique         2.42, 3.13 A)
 &rst
  ixpk= 4216, nxpk= 25, iat=2046,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=2050,2051,
 &end
#
#  135 SER  HN          135 SER  HB-         4.50    (#   4217:25  Unique         2.42, 3.13 A)
 &rst
  ixpk= 4217, nxpk= 25, iat=2046,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=2050,2051,
 &end
#
#   14 VAL  MGY         136 SER  HB+         5.50    (#   4224:25  Unique         4.87, 6.76 A)
 &rst
  ixpk= 4224, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 215, 216, 217, 219, 220, 221,
 igr2=2061,2062,
 &end
#
#  138 LYS  HB+         136 SER  HB+         5.50    (#   4226:25  Unique         2.71, 4.14 A)
 &rst
  ixpk= 4226, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2087,2088,
 igr2=2061,2062,
 &end
#
#  138 LYS  HB-         136 SER  HB+         5.50    (#   4227:25  Unique         2.71, 4.14 A)
 &rst
  ixpk= 4227, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2087,2088,
 igr2=2061,2062,
 &end
#
#  138 LYS  HB+         136 SER  HB-         5.50    (#   4228:25  Unique         2.71, 4.14 A)
 &rst
  ixpk= 4228, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2087,2088,
 igr2=2061,2062,
 &end
#
#  138 LYS  HB-         136 SER  HB-         5.50    (#   4229:25  Unique         2.71, 4.14 A)
 &rst
  ixpk= 4229, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2087,2088,
 igr2=2061,2062,
 &end
#
#    0 AMB  25-2:4230     0 AMB  25-1:4230   5.50    (#   4230:25  Double Ambig)
 &rst
  ixpk= 4230, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1=2109,2110,2072,2073,
 igr2=2061,2062,2061,2062,
 &end
#
#    0 AMB  25-2:4232     0 AMB  25-1:4232   5.50    (#   4232:25  Double Ambig)
 &rst
  ixpk= 4232, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1=2112,2113,2075,2076,
 igr2=2061,2062,2061,2062,
 &end
#
#    0 AMB  25-2:4233   136 SER  HB-         5.50    (#   4233:25  Single Ambig)
 &rst
  ixpk= 4233, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=2112,2113,2075,2076,
 igr2=2061,2062,
 &end
#
#  136 SER  HN          136 SER  HB+         4.50    (#   4239:25  Unique         2.67, 3.40 A)
 &rst
  ixpk= 4239, nxpk= 25, iat=2057,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=2061,2062,
 &end
#
#  136 SER  HN          136 SER  HB-         4.50    (#   4240:25  Unique         2.67, 3.40 A)
 &rst
  ixpk= 4240, nxpk= 25, iat=2057,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=2061,2062,
 &end
#
#  138 LYS  HN          136 SER  HB+         4.50    (#   4241:25  Unique         2.40, 3.13 A)
 &rst
  ixpk= 4241, nxpk= 25, iat=2083,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=2061,2062,
 &end
#
#  138 LYS  HN          136 SER  HB-         4.50    (#   4242:25  Unique         2.40, 3.13 A)
 &rst
  ixpk= 4242, nxpk= 25, iat=2083,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=2061,2062,
 &end
#
#  137 GLU  HN          136 SER  HB+         3.50    (#   4243:25  Unique         2.58, 3.31 A)
 &rst
  ixpk= 4243, nxpk= 25, iat=2068,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=2061,2062,
 &end
#
#  137 GLU  HN          136 SER  HB-         4.50    (#   4244:25  Unique         2.58, 3.31 A)
 &rst
  ixpk= 4244, nxpk= 25, iat=2068,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=2061,2062,
 &end
#
#  139 GLN  HN          137 GLU  HA          5.50    (#   4245:25  Unique         4.09, 4.25 A)
 &rst
  ixpk= 4245, nxpk= 25, iat=2105,2070, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  25-2:4246   137 GLU  HA          4.50    (#   4246:25  Single Ambig)
 &rst
  ixpk= 4246, nxpk= 25, iat=  -1,2070, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 200, 211,
 &end
#
#   14 VAL  MGY         137 GLU  HB-         3.50    (#   4247:25  Unique         2.84, 6.30 A)
 &rst
  ixpk= 4247, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 215, 216, 217, 219, 220, 221,
 igr2=2072,2073,
 &end
#
#   14 VAL  MGY         137 GLU  HB+         3.50    (#   4248:25  Unique         2.84, 6.30 A)
 &rst
  ixpk= 4248, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 215, 216, 217, 219, 220, 221,
 igr2=2072,2073,
 &end
#
#  137 GLU  HA          137 GLU  HB-         2.80    (#   4249:25  Unique         2.40, 2.78 A)
 &rst
  ixpk= 4249, nxpk= 25, iat=2070,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=2072,2073,
 &end
#
#  137 GLU  HA          137 GLU  HB+         2.80    (#   4250:25  Unique         2.40, 2.78 A)
 &rst
  ixpk= 4250, nxpk= 25, iat=2070,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=2072,2073,
 &end
#
#   13 SER  HA          137 GLU  HB-         4.50    (#   4252:25  Unique         3.55, 4.29 A)
 &rst
  ixpk= 4252, nxpk= 25, iat= 200,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=2072,2073,
 &end
#
#   13 SER  HA          137 GLU  HB+         3.50    (#   4254:25  Unique         3.55, 4.29 A)
 &rst
  ixpk= 4254, nxpk= 25, iat= 200,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=2072,2073,
 &end
#
#  138 LYS  HN          137 GLU  HB-         3.50    (#   4255:25  Unique         2.61, 3.34 A)
 &rst
  ixpk= 4255, nxpk= 25, iat=2083,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=2072,2073,
 &end
#
#  138 LYS  HN          137 GLU  HB+         3.50    (#   4256:25  Unique         2.61, 3.34 A)
 &rst
  ixpk= 4256, nxpk= 25, iat=2083,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=2072,2073,
 &end
#
#  137 GLU  HN          137 GLU  HB-         3.50    (#   4257:25  Unique         2.13, 2.87 A)
 &rst
  ixpk= 4257, nxpk= 25, iat=2068,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=2072,2073,
 &end
#
#  137 GLU  HN          137 GLU  HB+         3.50    (#   4258:25  Unique         2.13, 2.87 A)
 &rst
  ixpk= 4258, nxpk= 25, iat=2068,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=2072,2073,
 &end
#
#  137 GLU  HN          137 GLU  HG+         4.50    (#   4259:25  Unique         2.09, 3.50 A)
 &rst
  ixpk= 4259, nxpk= 25, iat=2068,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=2075,2076,
 &end
#
#  137 GLU  HN          137 GLU  HG-         4.50    (#   4260:25  Unique         2.09, 3.50 A)
 &rst
  ixpk= 4260, nxpk= 25, iat=2068,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=2075,2076,
 &end
#
#   14 VAL  HN          137 GLU  HG+         3.50    (#   4261:25  Unique         2.33, 3.25 A)
 &rst
  ixpk= 4261, nxpk= 25, iat= 209,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=2075,2076,
 &end
#
#   14 VAL  HN          137 GLU  HG-         3.50    (#   4262:25  Unique         2.33, 3.25 A)
 &rst
  ixpk= 4262, nxpk= 25, iat= 209,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=2075,2076,
 &end
#
#  138 LYS  HN          137 GLU  HG-         4.50    (#   4264:25  Unique         3.97, 4.92 A)
 &rst
  ixpk= 4264, nxpk= 25, iat=2083,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=2075,2076,
 &end
#
#   13 SER  HA          137 GLU  HG+         3.50    (#   4265:25  Unique         2.15, 2.75 A)
 &rst
  ixpk= 4265, nxpk= 25, iat= 200,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=2075,2076,
 &end
#
#   13 SER  HA          137 GLU  HG-         3.50    (#   4266:25  Unique         2.15, 2.75 A)
 &rst
  ixpk= 4266, nxpk= 25, iat= 200,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=2075,2076,
 &end
#
#  137 GLU  HA          137 GLU  HG-         2.80    (#   4268:25  Unique         2.39, 2.96 A)
 &rst
  ixpk= 4268, nxpk= 25, iat=2070,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=2075,2076,
 &end
#
#   14 VAL  MGY         137 GLU  HG-         3.50    (#   4270:25  Unique         2.20, 5.41 A)
 &rst
  ixpk= 4270, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 215, 216, 217, 219, 220, 221,
 igr2=2075,2076,
 &end
#
#   12 ILE  QG2         137 GLU  HG-         2.80    (#   4272:25  Unique         2.08, 3.69 A)
 &rst
  ixpk= 4272, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 185, 186, 187,
 igr2=2075,2076,
 &end
#
#  138 LYS  HN          138 LYS  HA          2.80    (#   4274:25  Unique         2.75, 2.80 A)
 &rst
  ixpk= 4274, nxpk= 25, iat=2083,2085, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  139 GLN  HN          138 LYS  HA          3.50    (#   4275:25  Unique         3.56, 3.59 A)
 &rst
  ixpk= 4275, nxpk= 25, iat=2105,2085, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  138 LYS  HG-         138 LYS  HB-         2.80    (#   4276:25  Unique         2.26, 2.62 A)
 &rst
  ixpk= 4276, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=2090,2091,
 igr2=2087,2088,
 &end
#
#  138 LYS  HG-         138 LYS  HB+         2.80    (#   4277:25  Unique         2.26, 2.62 A)
 &rst
  ixpk= 4277, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=2090,2091,
 igr2=2087,2088,
 &end
#
#  138 LYS  HA          138 LYS  HB-         2.80    (#   4278:25  Unique         2.43, 2.77 A)
 &rst
  ixpk= 4278, nxpk= 25, iat=2085,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=2087,2088,
 &end
#
#  138 LYS  HA          138 LYS  HB+         2.80    (#   4279:25  Unique         2.43, 2.77 A)
 &rst
  ixpk= 4279, nxpk= 25, iat=2085,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=2087,2088,
 &end
#
#  139 GLN  HN          138 LYS  HB-         4.50    (#   4282:25  Unique         2.60, 3.39 A)
 &rst
  ixpk= 4282, nxpk= 25, iat=2105,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=2087,2088,
 &end
#
#  139 GLN  HN          138 LYS  HB+         4.50    (#   4283:25  Unique         2.60, 3.39 A)
 &rst
  ixpk= 4283, nxpk= 25, iat=2105,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=2087,2088,
 &end
#
#  138 LYS  HN          138 LYS  HB-         3.50    (#   4284:25  Unique         2.28, 2.79 A)
 &rst
  ixpk= 4284, nxpk= 25, iat=2083,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=2087,2088,
 &end
#
#  138 LYS  HN          138 LYS  HB+         3.50    (#   4285:25  Unique         2.28, 2.79 A)
 &rst
  ixpk= 4285, nxpk= 25, iat=2083,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=2087,2088,
 &end
#
#    0 AMB  25-2:4286     0 AMB  25-1:4286   2.80    (#   4286:25  Double Ambig)
 &rst
  ixpk= 4286, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1508,1509,2096,2097,
 igr2=1505,1506,2093,2094,
 &end
#
#  138 LYS  HE+         138 LYS  HD+         2.80    (#   4287:25  Unique         2.37, 2.73 A)
 &rst
  ixpk= 4287, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=2096,2097,
 igr2=2093,2094,
 &end
#
#  138 LYS  HA          138 LYS  HD-         3.50    (#   4288:25  Unique         2.25, 3.09 A)
 &rst
  ixpk= 4288, nxpk= 25, iat=2085,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=2093,2094,
 &end
#
#  138 LYS  HA          138 LYS  HD+         4.50    (#   4289:25  Unique         2.25, 3.09 A)
 &rst
  ixpk= 4289, nxpk= 25, iat=2085,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=2093,2094,
 &end
#
#  138 LYS  HG-         138 LYS  HE+         2.80    (#   4290:25  Unique         2.40, 3.00 A)
 &rst
  ixpk= 4290, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=2090,2091,
 igr2=2096,2097,
 &end
#
#  138 LYS  HD+         138 LYS  HE+         2.80    (#   4291:25  Unique         2.37, 2.73 A)
 &rst
  ixpk= 4291, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=2093,2094,
 igr2=2096,2097,
 &end
#
#    0 AMB  25-2:4292     0 AMB  25-1:4292   2.80    (#   4292:25  Double Ambig)
 &rst
  ixpk= 4292, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=2087,2088,2093,2094,
 igr2=2096,2097,2096,2097,
 &end
#
#  142 ASP  HB+         139 GLN  HA          2.80    (#   4293:25  Unique         2.12, 2.99 A)
 &rst
  ixpk= 4293, nxpk= 25, iat=  -1,2107, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=2155,2156,
 &end
#
#  139 GLN  HN          139 GLN  HA          2.80    (#   4295:25  Unique         2.80, 2.85 A)
 &rst
  ixpk= 4295, nxpk= 25, iat=2105,2107, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  25-2:4296   139 GLN  HA          3.50    (#   4296:25  Single Ambig)
 &rst
  ixpk= 4296, nxpk= 25, iat=  -1,2107, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=2151,2141,
 &end
#
#  139 GLN  HN          139 GLN  HB-         2.80    (#   4297:25  Unique         2.14, 2.89 A)
 &rst
  ixpk= 4297, nxpk= 25, iat=2105,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=2109,2110,
 &end
#
#  139 GLN  HN          139 GLN  HB+         2.80    (#   4298:25  Unique         2.14, 2.89 A)
 &rst
  ixpk= 4298, nxpk= 25, iat=2105,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=2109,2110,
 &end
#
#  134 ALA  MB          139 GLN  HB-         2.80    (#   4299:25  Unique         2.15, 3.12 A)
 &rst
  ixpk= 4299, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=2040,2041,2042,
 igr2=2109,2110,
 &end
#
#  134 ALA  MB          139 GLN  HG+         3.50    (#   4300:25  Unique         2.94, 4.93 A)
 &rst
  ixpk= 4300, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=2040,2041,2042,
 igr2=2112,2113,
 &end
#
#  139 GLN  HB+         139 GLN  HG+         2.80    (#   4301:25  Unique         2.24, 2.66 A)
 &rst
  ixpk= 4301, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=2109,2110,
 igr2=2112,2113,
 &end
#
#  139 GLN  HA          139 GLN  HG+         3.50    (#   4302:25  Unique         2.33, 2.80 A)
 &rst
  ixpk= 4302, nxpk= 25, iat=2107,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=2112,2113,
 &end
#
#  139 GLN  HN          139 GLN  HG+         3.50    (#   4304:25  Unique         2.87, 3.49 A)
 &rst
  ixpk= 4304, nxpk= 25, iat=2105,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=2112,2113,
 &end
#
#  140 LEU  HN          139 GLN  HG+         4.50    (#   4305:25  Unique         4.69, 4.99 A)
 &rst
  ixpk= 4305, nxpk= 25, iat=2122,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=2112,2113,
 &end
#
#  140 LEU  HN          140 LEU  HA          3.50    (#   4306:25  Unique         2.82, 2.86 A)
 &rst
  ixpk= 4306, nxpk= 25, iat=2122,2124, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  140 LEU  HB-         140 LEU  HA          2.80    (#   4310:25  Unique         2.42, 2.77 A)
 &rst
  ixpk= 4310, nxpk= 25, iat=  -1,2124, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=2126,2127,
 &end
#
#    0 AMB  25-2:4313   140 LEU  HB-         2.80    (#   4313:25  Single Ambig)
 &rst
  ixpk= 4313, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 185, 186, 187,1242,1243,1244,1246,1247,1248,
 igr2=2126,2127,
 &end
#
#  140 LEU  MDY         140 LEU  HB-         2.80    (#   4314:25  Unique         2.33, 3.34 A)
 &rst
  ixpk= 4314, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=2131,2132,2133,2135,2136,2137,
 igr2=2126,2127,
 &end
#
#    0 AMB  25-2:4315   140 LEU  HB-         3.50    (#   4315:25  Single Ambig)
 &rst
  ixpk= 4315, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=2129,1237,1238,
 igr2=2126,2127,
 &end
#
#  140 LEU  HA          140 LEU  HB-         2.80    (#   4317:25  Unique         2.42, 2.77 A)
 &rst
  ixpk= 4317, nxpk= 25, iat=2124,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=2126,2127,
 &end
#
#  140 LEU  HN          140 LEU  HB-         3.50    (#   4318:25  Unique         2.29, 3.02 A)
 &rst
  ixpk= 4318, nxpk= 25, iat=2122,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=2126,2127,
 &end
#
#  141 ALA  HN          140 LEU  HB-         3.50    (#   4319:25  Unique         2.48, 3.06 A)
 &rst
  ixpk= 4319, nxpk= 25, iat=2141,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=2126,2127,
 &end
#
#  141 ALA  HN          140 LEU  HB+         3.50    (#   4320:25  Unique         2.48, 3.06 A)
 &rst
  ixpk= 4320, nxpk= 25, iat=2141,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=2126,2127,
 &end
#
#    0 AMB  25-2:4321   140 LEU  HG          2.80    (#   4321:25  Single Ambig)
 &rst
  ixpk= 4321, nxpk= 25, iat=  -1,2129, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=2131,2132,2133,2135,2136,2137, 215, 216, 217, 219,
       220, 221,
 &end
#
#   99 LEU  MDX         140 LEU  HG          4.50    (#   4322:25  Unique         4.86, 6.77 A)
 &rst
  ixpk= 4322, nxpk= 25, iat=  -1,2129, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1526,1527,1528,1530,1531,1532,
 &end
#
#    0 AMB  25-2:4323     0 AMB  25-1:4323   2.80    (#   4323:25  Double Ambig)
 &rst
  ixpk= 4323, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=2124,1463,1464,1986,
 igr2=2129,1466,1467,
 &end
#
#   96 PRO  HD+          96 PRO  HG-         3.50    (#   4324:25  Unique         2.29, 2.60 A)
 &rst
  ixpk= 4324, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1463,1464,
 igr2=1466,1467,
 &end
#
#  140 LEU  HN          140 LEU  MDX         3.50    (#   4325:25  Unique         1.80, 4.28 A)
 &rst
  ixpk= 4325, nxpk= 25, iat=2122,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=2131,2132,2133,2135,2136,2137,
 &end
#
#  144 ILE  QD1         141 ALA  HA          4.50    (#   4328:25  Unique         4.24, 5.21 A)
 &rst
  ixpk= 4328, nxpk= 25, iat=  -1,2143, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=2195,2196,2197,
 &end
#
#   12 ILE  QD1         141 ALA  HA          2.80    (#   4329:25  Unique         2.29, 3.04 A)
 &rst
  ixpk= 4329, nxpk= 25, iat=  -1,2143, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 192, 193, 194,
 &end
#
#    0 AMB  25-2:4330   141 ALA  HA          4.50    (#   4330:25  Single Ambig)
 &rst
  ixpk= 4330, nxpk= 25, iat=  -1,2143, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 185, 186, 187,1242,1243,1244,1246,1247,1248,
 &end
#
#  144 ILE  HB          141 ALA  HA          2.80    (#   4331:25  Unique         2.14, 2.46 A)
 &rst
  ixpk= 4331, nxpk= 25, iat=2186,2143, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  140 LEU  HN          141 ALA  HA          5.50    (#   4332:25  Unique         5.16, 5.30 A)
 &rst
  ixpk= 4332, nxpk= 25, iat=2122,2143, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  144 ILE  HN          141 ALA  HA          4.50    (#   4333:25  Unique         2.85, 3.25 A)
 &rst
  ixpk= 4333, nxpk= 25, iat=2182,2143, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:4334   141 ALA  HA          2.80    (#   4334:25  Single Ambig)
 &rst
  ixpk= 4334, nxpk= 25, iat=  -1,2143, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=2141,2151,
 &end
#
#    0 AMB  25-2:4335     0 AMB  25-1:4335   4.50    (#   4335:25  Double Ambig)
 &rst
  ixpk= 4335, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=2122, 108,
 igr2=2145,2146,2147,1769,1770,1771,
 &end
#
#  141 ALA  HA          141 ALA  MB          2.80    (#   4336:25  Unique         2.40, 2.65 A)
 &rst
  ixpk= 4336, nxpk= 25, iat=2143,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=2145,2146,2147,
 &end
#
#  142 ASP  HB+         141 ALA  MB          5.50    (#   4337:25  Unique         4.49, 5.73 A)
 &rst
  ixpk= 4337, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=2155,2156,
 igr2=2145,2146,2147,
 &end
#
#   12 ILE  QD1         141 ALA  MB          2.80    (#   4338:25  Unique         2.19, 4.08 A)
 &rst
  ixpk= 4338, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 192, 193, 194,
 igr2=2145,2146,2147,
 &end
#
#  144 ILE  QD1         141 ALA  MB          5.50    (#   4339:25  Unique         6.05, 7.64 A)
 &rst
  ixpk= 4339, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1=2195,2196,2197,
 igr2=2145,2146,2147,
 &end
#
#  142 ASP  HN          142 ASP  HA          2.80    (#   4340:25  Unique         2.83, 2.85 A)
 &rst
  ixpk= 4340, nxpk= 25, iat=2151,2153, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  143 ILE  HN          142 ASP  HA          4.50    (#   4341:25  Unique         3.57, 3.60 A)
 &rst
  ixpk= 4341, nxpk= 25, iat=2163,2153, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  145 SER  HB+         142 ASP  HA          3.50    (#   4342:25  Unique         2.31, 3.42 A)
 &rst
  ixpk= 4342, nxpk= 25, iat=  -1,2153, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=2205,2206,
 &end
#
#  142 ASP  HB+         142 ASP  HA          2.80    (#   4343:25  Unique         2.33, 2.73 A)
 &rst
  ixpk= 4343, nxpk= 25, iat=  -1,2153, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=2155,2156,
 &end
#
#  142 ASP  HB-         142 ASP  HA          2.80    (#   4344:25  Unique         2.33, 2.73 A)
 &rst
  ixpk= 4344, nxpk= 25, iat=  -1,2153, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=2155,2156,
 &end
#
#    0 AMB  25-2:4345   142 ASP  HA          4.50    (#   4345:25  Single Ambig)
 &rst
  ixpk= 4345, nxpk= 25, iat=  -1,2153, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1=2145,2146,2147,2090,2091,
 &end
#
#    0 AMB  25-2:4346     0 AMB  25-1:4346   5.50    (#   4346:25  Double Ambig)
 &rst
  ixpk= 4346, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1=2176,2177,2178,2169,2170,2171,
 igr2=2155,2156,2155,2156,
 &end
#
#    0 AMB  25-2:4347   142 ASP  HB-         5.50    (#   4347:25  Single Ambig)
 &rst
  ixpk= 4347, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=2176,2177,2178,2169,2170,2171,
 igr2=2155,2156,
 &end
#
#    0 AMB  25-2:4350     0 AMB  25-1:4350   4.50    (#   4350:25  Double Ambig)
 &rst
  ixpk= 4350, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=2090,2091,2145,2146,2147,
 igr2=2155,2156,2155,2156,
 &end
#
#    0 AMB  25-2:4351   142 ASP  HB-         4.50    (#   4351:25  Single Ambig)
 &rst
  ixpk= 4351, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=2090,2091,2145,2146,2147,
 igr2=2155,2156,
 &end
#
#    0 AMB  25-2:4352     0 AMB  25-1:4352   3.50    (#   4352:25  Double Ambig)
 &rst
  ixpk= 4352, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1=2173,2174,2087,2088,
 igr2=2155,2156,2155,2156,
 &end
#
#    0 AMB  25-2:4353   142 ASP  HB-         3.50    (#   4353:25  Single Ambig)
 &rst
  ixpk= 4353, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=2173,2174,2087,2088,
 igr2=2155,2156,
 &end
#
#  139 GLN  HB+         142 ASP  HB-         5.50    (#   4354:25  Unique         4.15, 5.62 A)
 &rst
  ixpk= 4354, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2109,2110,
 igr2=2155,2156,
 &end
#
#  139 GLN  HB-         142 ASP  HB-         5.50    (#   4355:25  Unique         4.15, 5.62 A)
 &rst
  ixpk= 4355, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2109,2110,
 igr2=2155,2156,
 &end
#
#  143 ILE  HA          142 ASP  HB+         5.50    (#   4356:25  Unique         4.31, 5.06 A)
 &rst
  ixpk= 4356, nxpk= 25, iat=2165,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=2155,2156,
 &end
#
#  143 ILE  HA          142 ASP  HB-         5.50    (#   4357:25  Unique         4.31, 5.06 A)
 &rst
  ixpk= 4357, nxpk= 25, iat=2165,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=2155,2156,
 &end
#
#  139 GLN  HA          142 ASP  HB+         3.50    (#   4358:25  Unique         2.12, 2.99 A)
 &rst
  ixpk= 4358, nxpk= 25, iat=2107,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=2155,2156,
 &end
#
#  139 GLN  HA          142 ASP  HB-         3.50    (#   4359:25  Unique         2.12, 2.99 A)
 &rst
  ixpk= 4359, nxpk= 25, iat=2107,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=2155,2156,
 &end
#
#  142 ASP  HA          142 ASP  HB+         2.80    (#   4360:25  Unique         2.33, 2.73 A)
 &rst
  ixpk= 4360, nxpk= 25, iat=2153,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=2155,2156,
 &end
#
#  142 ASP  HA          142 ASP  HB-         2.80    (#   4361:25  Unique         2.33, 2.73 A)
 &rst
  ixpk= 4361, nxpk= 25, iat=2153,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=2155,2156,
 &end
#
#  143 ILE  HN          142 ASP  HB+         2.80    (#   4362:25  Unique         2.56, 3.32 A)
 &rst
  ixpk= 4362, nxpk= 25, iat=2163,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=2155,2156,
 &end
#
#  143 ILE  HN          142 ASP  HB-         3.50    (#   4363:25  Unique         2.56, 3.32 A)
 &rst
  ixpk= 4363, nxpk= 25, iat=2163,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=2155,2156,
 &end
#
#  142 ASP  HN          142 ASP  HB+         2.80    (#   4364:25  Unique         2.24, 2.54 A)
 &rst
  ixpk= 4364, nxpk= 25, iat=2151,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=2155,2156,
 &end
#
#  142 ASP  HN          142 ASP  HB-         2.80    (#   4365:25  Unique         2.24, 2.54 A)
 &rst
  ixpk= 4365, nxpk= 25, iat=2151,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=2155,2156,
 &end
#
#    0 AMB  25-2:4366   143 ILE  HA          5.50    (#   4366:25  Single Ambig)
 &rst
  ixpk= 4366, nxpk= 25, iat=  -1,2165, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=2151,1984,2141,
 &end
#
#  145 SER  HN          143 ILE  HA          5.50    (#   4367:25  Unique         4.10, 4.30 A)
 &rst
  ixpk= 4367, nxpk= 25, iat=2201,2165, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  144 ILE  HN          143 ILE  HA          3.50    (#   4368:25  Unique         3.54, 3.57 A)
 &rst
  ixpk= 4368, nxpk= 25, iat=2182,2165, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  146 ARG  HN          143 ILE  HA          4.50    (#   4369:25  Unique         3.11, 3.44 A)
 &rst
  ixpk= 4369, nxpk= 25, iat=2212,2165, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  143 ILE  HN          143 ILE  HA          3.50    (#   4370:25  Unique         2.79, 2.83 A)
 &rst
  ixpk= 4370, nxpk= 25, iat=2163,2165, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  142 ASP  HA          143 ILE  HA          5.50    (#   4371:25  Unique         4.76, 4.81 A)
 &rst
  ixpk= 4371, nxpk= 25, iat=2153,2165, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  146 ARG  HD+         143 ILE  HA          4.50    (#   4372:25  Unique         2.57, 4.02 A)
 &rst
  ixpk= 4372, nxpk= 25, iat=  -1,2165, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=2222,2223,
 &end
#
#  142 ASP  HB+         143 ILE  HA          5.50    (#   4373:25  Unique         4.31, 5.06 A)
 &rst
  ixpk= 4373, nxpk= 25, iat=  -1,2165, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2155,2156,
 &end
#
#  142 ASP  HB-         143 ILE  HA          5.50    (#   4374:25  Unique         4.31, 5.06 A)
 &rst
  ixpk= 4374, nxpk= 25, iat=  -1,2165, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2155,2156,
 &end
#
#    0 AMB  25-2:4375   143 ILE  HA          2.80    (#   4375:25  Single Ambig)
 &rst
  ixpk= 4375, nxpk= 25, iat=  -1,2165, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=2219,2220,2173,2174,
 &end
#
#  143 ILE  HG1-        143 ILE  HA          2.80    (#   4376:25  Unique         2.53, 2.68 A)
 &rst
  ixpk= 4376, nxpk= 25, iat=  -1,2165, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=2173,2174,
 &end
#
#  143 ILE  QG2         143 ILE  HA          2.80    (#   4377:25  Unique         2.58, 3.25 A)
 &rst
  ixpk= 4377, nxpk= 25, iat=  -1,2165, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=2169,2170,2171,
 &end
#
#    0 AMB  25-2:4378   143 ILE  HB          4.50    (#   4378:25  Single Ambig)
 &rst
  ixpk= 4378, nxpk= 25, iat=  -1,2167, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=2151,2141,1984,
 &end
#
#  143 ILE  HN          143 ILE  HB          2.80    (#   4380:25  Unique         2.18, 2.21 A)
 &rst
  ixpk= 4380, nxpk= 25, iat=2163,2167, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  144 ILE  HN          143 ILE  HB          2.80    (#   4381:25  Unique         2.74, 2.84 A)
 &rst
  ixpk= 4381, nxpk= 25, iat=2182,2167, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  143 ILE  HA          143 ILE  HB          3.50    (#   4382:25  Unique         3.02, 3.03 A)
 &rst
  ixpk= 4382, nxpk= 25, iat=2165,2167, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:4383   143 ILE  HB          2.80    (#   4383:25  Single Ambig)
 &rst
  ixpk= 4383, nxpk= 25, iat=  -1,2167, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=2169,2170,2171,2176,2177,2178,
 &end
#
#    0 AMB  25-2:4384     0 AMB  25-1:4384   2.80    (#   4384:25  Double Ambig)
 &rst
  ixpk= 4384, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1=2176,2177,2178,2169,2170,2171,
 igr2=2173,2174,2173,2174,
 &end
#
#  143 ILE  HA          143 ILE  HG1+        2.80    (#   4386:25  Unique         2.53, 2.68 A)
 &rst
  ixpk= 4386, nxpk= 25, iat=2165,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=2173,2174,
 &end
#
#    0 AMB  25-2:4388     0 AMB  25-1:4388   5.50    (#   4388:25  Double Ambig)
 &rst
  ixpk= 4388, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=2151,1984,
 igr2=2173,2174,2173,2174,
 &end
#
#  143 ILE  HN          143 ILE  HG1-        3.50    (#   4389:25  Unique         2.25, 2.97 A)
 &rst
  ixpk= 4389, nxpk= 25, iat=2163,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=2173,2174,
 &end
#
#    0 AMB  25-2:4391   143 ILE  QD1         2.80    (#   4391:25  Single Ambig)
 &rst
  ixpk= 4391, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1971,1972,2109,2110,
 igr2=2176,2177,2178,
 &end
#
#  130 GLN  HB-         143 ILE  QD1         3.50    (#   4393:25  Unique         2.16, 3.21 A)
 &rst
  ixpk= 4393, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1971,1972,
 igr2=2176,2177,2178,
 &end
#
#  143 ILE  HA          143 ILE  QD1         4.50    (#   4394:25  Unique         4.56, 4.66 A)
 &rst
  ixpk= 4394, nxpk= 25, iat=2165,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=2176,2177,2178,
 &end
#
#    0 AMB  25-2:4395   143 ILE  QD1         2.80    (#   4395:25  Single Ambig)
 &rst
  ixpk= 4395, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=2124,1986,
 igr2=2176,2177,2178,
 &end
#
#  143 ILE  HN          143 ILE  QD1         3.50    (#   4396:25  Unique         3.39, 4.12 A)
 &rst
  ixpk= 4396, nxpk= 25, iat=2163,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=2176,2177,2178,
 &end
#
#  143 ILE  HN          143 ILE  QD1         3.50    (#   4397:25  Unique         3.39, 4.12 A)
 &rst
  ixpk= 4397, nxpk= 25, iat=2163,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=2176,2177,2178,
 &end
#
#  131 LEU  HN          143 ILE  QD1         4.50    (#   4398:25  Unique         2.97, 3.86 A)
 &rst
  ixpk= 4398, nxpk= 25, iat=1984,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=2176,2177,2178,
 &end
#
#  144 ILE  HN          143 ILE  QG2         3.50    (#   4400:25  Unique         3.47, 4.34 A)
 &rst
  ixpk= 4400, nxpk= 25, iat=2182,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=2169,2170,2171,
 &end
#
#  143 ILE  HA          143 ILE  QG2         2.80    (#   4401:25  Unique         2.58, 3.25 A)
 &rst
  ixpk= 4401, nxpk= 25, iat=2165,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=2169,2170,2171,
 &end
#
#    0 AMB  25-2:4402     0 AMB  25-1:4402   2.80    (#   4402:25  Double Ambig)
 &rst
  ixpk= 4402, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 723,1916,
 igr2= 727, 728, 729,1920,1921,1922,
 &end
#
#  146 ARG  HD+         143 ILE  QG2         5.50    (#   4403:25  Unique         3.00, 5.64 A)
 &rst
  ixpk= 4403, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=2222,2223,
 igr2=2169,2170,2171,
 &end
#
#  144 ILE  QD1         144 ILE  HA          2.80    (#   4404:25  Unique         2.09, 2.93 A)
 &rst
  ixpk= 4404, nxpk= 25, iat=  -1,2184, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=2195,2196,2197,
 &end
#
#  144 ILE  QG2         144 ILE  HA          2.80    (#   4405:25  Unique         2.56, 3.36 A)
 &rst
  ixpk= 4405, nxpk= 25, iat=  -1,2184, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=2188,2189,2190,
 &end
#
#  121 LEU  MDX         144 ILE  HA          2.80    (#   4407:25  Unique         2.31, 4.09 A)
 &rst
  ixpk= 4407, nxpk= 25, iat=  -1,2184, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1829,1830,1831,1833,1834,1835,
 &end
#
#    0 AMB  25-2:4408   144 ILE  HA          2.80    (#   4408:25  Single Ambig)
 &rst
  ixpk= 4408, nxpk= 25, iat=  -1,2184, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=  49,  50,2186,
 &end
#
#  144 ILE  HN          144 ILE  HA          3.50    (#   4409:25  Unique         2.83, 2.87 A)
 &rst
  ixpk= 4409, nxpk= 25, iat=2182,2184, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  145 SER  HN          144 ILE  HA          3.50    (#   4410:25  Unique         3.52, 3.54 A)
 &rst
  ixpk= 4410, nxpk= 25, iat=2201,2184, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:4417   144 ILE  QD1         5.50    (#   4417:25  Single Ambig)
 &rst
  ixpk= 4417, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=2141,2151,
 igr2=2195,2196,2197,
 &end
#
#    4 SER  HN          144 ILE  QD1         5.50    (#   4418:25  Unique         4.48, 6.14 A)
 &rst
  ixpk= 4418, nxpk= 25, iat=  64,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=2195,2196,2197,
 &end
#
#   81 LEU  HN          144 ILE  QD1         5.50    (#   4419:25  Unique         4.78, 6.47 A)
 &rst
  ixpk= 4419, nxpk= 25, iat=1233,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=2195,2196,2197,
 &end
#
#    0 AMB  25-2:4420   144 ILE  QD1         5.50    (#   4420:25  Single Ambig)
 &rst
  ixpk= 4420, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=2201,1574,
 igr2=2195,2196,2197,
 &end
#
#  144 ILE  HN          144 ILE  QD1         4.50    (#   4421:25  Unique         3.17, 4.24 A)
 &rst
  ixpk= 4421, nxpk= 25, iat=2182,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=2195,2196,2197,
 &end
#
#    7 PHE  HD          144 ILE  QD1         4.50    (#   4423:25  Unique         2.34, 4.55 A)
 &rst
  ixpk= 4423, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 116, 124,
 igr2=2195,2196,2197,
 &end
#
#   81 LEU  HA          144 ILE  QD1         5.50    (#   4428:25  Unique         4.59, 6.34 A)
 &rst
  ixpk= 4428, nxpk= 25, iat=1235,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=2195,2196,2197,
 &end
#
#    0 AMB  25-2:4429   144 ILE  QD1         5.50    (#   4429:25  Single Ambig)
 &rst
  ixpk= 4429, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=2203,1822,
 igr2=2195,2196,2197,
 &end
#
#    4 SER  HA          144 ILE  QD1         4.50    (#   4430:25  Unique         4.37, 5.67 A)
 &rst
  ixpk= 4430, nxpk= 25, iat=  66,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=2195,2196,2197,
 &end
#
#  144 ILE  HA          144 ILE  QD1         3.50    (#   4431:25  Unique         2.09, 2.93 A)
 &rst
  ixpk= 4431, nxpk= 25, iat=2184,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=2195,2196,2197,
 &end
#
#    7 PHE  HB+         144 ILE  QD1         5.50    (#   4432:25  Unique         2.97, 5.28 A)
 &rst
  ixpk= 4432, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 112, 113,
 igr2=2195,2196,2197,
 &end
#
#    3 LEU  HB-         144 ILE  QD1         3.50    (#   4433:25  Unique         2.29, 4.13 A)
 &rst
  ixpk= 4433, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=  49,  50,
 igr2=2195,2196,2197,
 &end
#
#   81 LEU  HB+         144 ILE  QD1         4.50    (#   4434:25  Unique         2.20, 5.22 A)
 &rst
  ixpk= 4434, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1237,1238,
 igr2=2195,2196,2197,
 &end
#
#    0 AMB  25-2:4435   144 ILE  QD1         4.50    (#   4435:25  Single Ambig)
 &rst
  ixpk= 4435, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.07, r4= 7.82,
 igr1=2145,2146,2147,1779,1780,
 igr2=2195,2196,2197,
 &end
#
#  144 ILE  HG1-        144 ILE  QD1         2.80    (#   4436:25  Unique         2.25, 2.64 A)
 &rst
  ixpk= 4436, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=2192,2193,
 igr2=2195,2196,2197,
 &end
#
#  144 ILE  HG1+        144 ILE  QD1         2.80    (#   4437:25  Unique         2.25, 2.64 A)
 &rst
  ixpk= 4437, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=2192,2193,
 igr2=2195,2196,2197,
 &end
#
#    0 AMB  25-2:4438   144 ILE  QD1         2.80    (#   4438:25  Single Ambig)
 &rst
  ixpk= 4438, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.85, r4= 5.60,
 igr1=1829,1830,1831,1833,1834,1835,2169,2170,2171,
 igr2=2195,2196,2197,
 &end
#
#    0 AMB  25-2:4439   144 ILE  QD1         2.80    (#   4439:25  Single Ambig)
 &rst
  ixpk= 4439, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=2188,2189,2190, 192, 193, 194,
 igr2=2195,2196,2197,
 &end
#
#  144 ILE  QD1         144 ILE  QG2         2.80    (#   4440:25  Unique         2.20, 3.77 A)
 &rst
  ixpk= 4440, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1=2195,2196,2197,
 igr2=2188,2189,2190,
 &end
#
#  144 ILE  HG1+        144 ILE  QG2         2.80    (#   4441:25  Unique         2.26, 3.49 A)
 &rst
  ixpk= 4441, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=2192,2193,
 igr2=2188,2189,2190,
 &end
#
#  144 ILE  HG1-        144 ILE  QG2         3.50    (#   4442:25  Unique         2.26, 3.49 A)
 &rst
  ixpk= 4442, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=2192,2193,
 igr2=2188,2189,2190,
 &end
#
#    0 AMB  25-2:4443   144 ILE  QG2         2.80    (#   4443:25  Single Ambig)
 &rst
  ixpk= 4443, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1=  49,  50,2186,
 igr2=2188,2189,2190,
 &end
#
#    0 AMB  25-2:4444   144 ILE  QG2         2.80    (#   4444:25  Single Ambig)
 &rst
  ixpk= 4444, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=2184,2143,
 igr2=2188,2189,2190,
 &end
#
#    0 AMB  25-2:4445   144 ILE  QG2         3.50    (#   4445:25  Single Ambig)
 &rst
  ixpk= 4445, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=  68,  69,  66,
 igr2=2188,2189,2190,
 &end
#
#  145 SER  HA          144 ILE  QG2         4.50    (#   4446:25  Unique         3.01, 4.11 A)
 &rst
  ixpk= 4446, nxpk= 25, iat=2203,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=2188,2189,2190,
 &end
#
#    7 PHE  HD          144 ILE  QG2         4.50    (#   4450:25  Unique         2.44, 4.48 A)
 &rst
  ixpk= 4450, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 116, 124,
 igr2=2188,2189,2190,
 &end
#
#  144 ILE  HN          144 ILE  QG2         4.50    (#   4452:25  Unique         4.18, 4.56 A)
 &rst
  ixpk= 4452, nxpk= 25, iat=2182,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=2188,2189,2190,
 &end
#
#  145 SER  HN          144 ILE  QG2         4.50    (#   4453:25  Unique         2.84, 4.09 A)
 &rst
  ixpk= 4453, nxpk= 25, iat=2201,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=2188,2189,2190,
 &end
#
#    4 SER  HN          144 ILE  QG2         5.50    (#   4454:25  Unique         2.33, 3.74 A)
 &rst
  ixpk= 4454, nxpk= 25, iat=  64,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=2188,2189,2190,
 &end
#
#  145 SER  HN          145 SER  HA          3.50    (#   4455:25  Unique         2.78, 2.82 A)
 &rst
  ixpk= 4455, nxpk= 25, iat=2201,2203, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  146 ARG  HN          145 SER  HA          4.50    (#   4456:25  Unique         3.39, 3.53 A)
 &rst
  ixpk= 4456, nxpk= 25, iat=2212,2203, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    4 SER  HB+         145 SER  HA          3.50    (#   4457:25  Unique         2.33, 4.07 A)
 &rst
  ixpk= 4457, nxpk= 25, iat=  -1,2203, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=  68,  69,
 &end
#
#  144 ILE  QD1         145 SER  HA          5.50    (#   4458:25  Unique         6.09, 6.86 A)
 &rst
  ixpk= 4458, nxpk= 25, iat=  -1,2203, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=2195,2196,2197,
 &end
#
#  145 SER  HN          145 SER  HB+         2.80    (#   4459:25  Unique         2.52, 3.08 A)
 &rst
  ixpk= 4459, nxpk= 25, iat=2201,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=2205,2206,
 &end
#
#  146 ARG  HN          145 SER  HB+         3.50    (#   4460:25  Unique         2.85, 3.59 A)
 &rst
  ixpk= 4460, nxpk= 25, iat=2212,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=2205,2206,
 &end
#
#    0 AMB  25-2:4462     0 AMB  25-1:4462   2.80    (#   4462:25  Double Ambig)
 &rst
  ixpk= 4462, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=2153,2203,
 igr2=2205,2206,2205,2206,
 &end
#
#  142 ASP  HB+         145 SER  HB+         5.50    (#   4464:25  Unique         4.59, 5.97 A)
 &rst
  ixpk= 4464, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2155,2156,
 igr2=2205,2206,
 &end
#
#  142 ASP  HB-         145 SER  HB+         5.50    (#   4465:25  Unique         4.59, 5.97 A)
 &rst
  ixpk= 4465, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2155,2156,
 igr2=2205,2206,
 &end
#
#    0 AMB  25-2:4466     0 AMB  25-1:4466   4.50    (#   4466:25  Double Ambig)
 &rst
  ixpk= 4466, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=2219,2220,2186,
 igr2=2205,2206,2205,2206,
 &end
#
#  144 ILE  QG2         145 SER  HB+         4.50    (#   4467:25  Unique         4.61, 6.12 A)
 &rst
  ixpk= 4467, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=2188,2189,2190,
 igr2=2205,2206,
 &end
#
#  146 ARG  HG-         146 ARG  HA          2.80    (#   4468:25  Unique         2.26, 2.93 A)
 &rst
  ixpk= 4468, nxpk= 25, iat=  -1,2214, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=2219,2220,
 &end
#
#  146 ARG  HB-         146 ARG  HA          2.80    (#   4469:25  Unique         2.20, 2.74 A)
 &rst
  ixpk= 4469, nxpk= 25, iat=  -1,2214, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=2216,2217,
 &end
#
#  146 ARG  HG+         146 ARG  HA          2.80    (#   4470:25  Unique         2.26, 2.93 A)
 &rst
  ixpk= 4470, nxpk= 25, iat=  -1,2214, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=2219,2220,
 &end
#
#  146 ARG  HD+         146 ARG  HA          4.50    (#   4471:25  Unique         2.52, 4.49 A)
 &rst
  ixpk= 4471, nxpk= 25, iat=  -1,2214, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=2222,2223,
 &end
#
#  146 ARG  HN          146 ARG  HA          2.80    (#   4472:25  Unique         2.70, 2.80 A)
 &rst
  ixpk= 4472, nxpk= 25, iat=2212,2214, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  147 GLY  HN          146 ARG  HA          3.50    (#   4473:25  Unique         3.36, 3.50 A)
 &rst
  ixpk= 4473, nxpk= 25, iat=2236,2214, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  146 ARG  HN          146 ARG  HB-         2.80    (#   4474:25  Unique         1.91, 2.74 A)
 &rst
  ixpk= 4474, nxpk= 25, iat=2212,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=2216,2217,
 &end
#
#  146 ARG  HN          146 ARG  HB+         2.80    (#   4475:25  Unique         1.91, 2.74 A)
 &rst
  ixpk= 4475, nxpk= 25, iat=2212,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=2216,2217,
 &end
#
#  146 ARG  HA          146 ARG  HB-         2.80    (#   4476:25  Unique         2.20, 2.74 A)
 &rst
  ixpk= 4476, nxpk= 25, iat=2214,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=2216,2217,
 &end
#
#    0 AMB  25-2:4477     0 AMB  25-1:4477   2.80    (#   4477:25  Double Ambig)
 &rst
  ixpk= 4477, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=2214, 967,
 igr2=2216,2217, 964, 965,
 &end
#
#  146 ARG  HD+         146 ARG  HB-         2.80    (#   4478:25  Unique         2.26, 3.05 A)
 &rst
  ixpk= 4478, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=2222,2223,
 igr2=2216,2217,
 &end
#
#  146 ARG  HD+         146 ARG  HB+         3.50    (#   4479:25  Unique         2.26, 3.05 A)
 &rst
  ixpk= 4479, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=2222,2223,
 igr2=2216,2217,
 &end
#
#  146 ARG  HN          146 ARG  HG+         3.50    (#   4482:25  Unique         1.84, 3.38 A)
 &rst
  ixpk= 4482, nxpk= 25, iat=2212,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=2219,2220,
 &end
#
#  146 ARG  HN          146 ARG  HG-         3.50    (#   4483:25  Unique         1.84, 3.38 A)
 &rst
  ixpk= 4483, nxpk= 25, iat=2212,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=2219,2220,
 &end
#
#  146 ARG  HA          146 ARG  HG+         3.50    (#   4484:25  Unique         2.26, 2.93 A)
 &rst
  ixpk= 4484, nxpk= 25, iat=2214,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=2219,2220,
 &end
#
#  146 ARG  HA          146 ARG  HG-         2.80    (#   4485:25  Unique         2.26, 2.93 A)
 &rst
  ixpk= 4485, nxpk= 25, iat=2214,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=2219,2220,
 &end
#
#  146 ARG  HD+         146 ARG  HG+         2.80    (#   4488:25  Unique         2.37, 2.70 A)
 &rst
  ixpk= 4488, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=2222,2223,
 igr2=2219,2220,
 &end
#
#  146 ARG  HD+         146 ARG  HG-         2.80    (#   4489:25  Unique         2.37, 2.70 A)
 &rst
  ixpk= 4489, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=2222,2223,
 igr2=2219,2220,
 &end
#
#  147 GLY  HN          146 ARG  HD+         5.50    (#   4490:25  Unique         4.11, 5.64 A)
 &rst
  ixpk= 4490, nxpk= 25, iat=2236,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=2222,2223,
 &end
#
#  146 ARG  HN          146 ARG  HD+         4.50    (#   4491:25  Unique         4.03, 4.76 A)
 &rst
  ixpk= 4491, nxpk= 25, iat=2212,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=2222,2223,
 &end
#
#  130 GLN  HE2-        146 ARG  HD+         5.50    (#   4493:25  Unique         3.28, 5.51 A)
 &rst
  ixpk= 4493, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1979,1980,
 igr2=2222,2223,
 &end
#
#  146 ARG  HA          146 ARG  HD+         4.50    (#   4495:25  Unique         2.52, 4.49 A)
 &rst
  ixpk= 4495, nxpk= 25, iat=2214,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=2222,2223,
 &end
#
#    0 AMB  25-2:4496     0 AMB  25-1:4496   2.80    (#   4496:25  Double Ambig)
 &rst
  ixpk= 4496, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=2216,2217,2216,2217,
 igr2=2222,2223,2222,2223,
 &end
#
#  146 ARG  HG+         146 ARG  HD+         2.80    (#   4497:25  Unique         2.37, 2.70 A)
 &rst
  ixpk= 4497, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=2219,2220,
 igr2=2222,2223,
 &end
#
#  146 ARG  HG-         146 ARG  HD+         2.80    (#   4498:25  Unique         2.37, 2.70 A)
 &rst
  ixpk= 4498, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=2219,2220,
 igr2=2222,2223,
 &end
#
#    0 AMB  25-2:4499     0 AMB  25-1:4499   3.50    (#   4499:25  Double Ambig)
 &rst
  ixpk= 4499, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1=1927,1928,1929,2169,2170,2171,
 igr2=2222,2223,2222,2223,
 &end
#
#  121 LEU  MDY         146 ARG  HD+         4.50    (#   4500:25  Unique         3.55, 7.44 A)
 &rst
  ixpk= 4500, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1829,1830,1831,1833,1834,1835,
 igr2=2222,2223,
 &end
#
#  147 GLY  HN          147 GLY  HA+         2.80    (#   4501:25  Unique         2.20, 2.54 A)
 &rst
  ixpk= 4501, nxpk= 25, iat=2236,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=2238,2239,
 &end
#
#  147 GLY  HN          147 GLY  HA-         2.80    (#   4502:25  Unique         2.20, 2.54 A)
 &rst
  ixpk= 4502, nxpk= 25, iat=2236,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=2238,2239,
 &end
#
#    3 LEU  HB+         147 GLY  HA-         4.50    (#   4506:25  Unique         2.17, 4.29 A)
 &rst
  ixpk= 4506, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=  49,  50,
 igr2=2238,2239,
 &end
#
#  146 ARG  HG+         147 GLY  HA-         5.50    (#   4507:25  Unique         3.06, 5.70 A)
 &rst
  ixpk= 4507, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2219,2220,
 igr2=2238,2239,
 &end
#
#    0 AMB  25-2:4508     0 AMB  25-1:4508   5.50    (#   4508:25  Double Ambig)
 &rst
  ixpk= 4508, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1=  49,  50,2219,2220,
 igr2=2238,2239,2238,2239,
 &end
#
#    3 LEU  HB+         147 GLY  HA+         4.50    (#   4509:25  Unique         2.17, 4.29 A)
 &rst
  ixpk= 4509, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=  49,  50,
 igr2=2238,2239,
 &end
#
#    3 LEU  HG          147 GLY  HA+         4.50    (#   4510:25  Unique         2.82, 3.94 A)
 &rst
  ixpk= 4510, nxpk= 25, iat=  52,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=2238,2239,
 &end
#
#  121 LEU  MDY         147 GLY  HA+         3.50    (#   4511:25  Unique         2.81, 5.90 A)
 &rst
  ixpk= 4511, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1829,1830,1831,1833,1834,1835,
 igr2=2238,2239,
 &end
#
#  121 LEU  MDX         147 GLY  HA+         4.50    (#   4512:25  Unique         2.81, 5.90 A)
 &rst
  ixpk= 4512, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1829,1830,1831,1833,1834,1835,
 igr2=2238,2239,
 &end
#
#  121 LEU  MDX         147 GLY  HA-         4.50    (#   4513:25  Unique         2.81, 5.90 A)
 &rst
  ixpk= 4513, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1829,1830,1831,1833,1834,1835,
 igr2=2238,2239,
 &end
#
#    3 LEU  HG          147 GLY  HA-         3.50    (#   4514:25  Unique         2.82, 3.94 A)
 &rst
  ixpk= 4514, nxpk= 25, iat=  52,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=2238,2239,
 &end
#
#  121 LEU  MDY         147 GLY  HA-         4.50    (#   4515:25  Unique         2.81, 5.90 A)
 &rst
  ixpk= 4515, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1829,1830,1831,1833,1834,1835,
 igr2=2238,2239,
 &end
#
#    0 AMB  25-2:4517    13 SER  HB-         5.50    (#   4517:25  Single Ambig)
 &rst
  ixpk= 4517, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 213,1270,1271,
 igr2= 202, 203,
 &end
#
#  137 GLU  HG-          13 SER  HB-         5.50    (#   4518:25  Unique         4.30, 5.28 A)
 &rst
  ixpk= 4518, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2075,2076,
 igr2= 202, 203,
 &end
#
#  138 LYS  HG-         136 SER  HB+         5.50    (#   4519:25  Unique         3.01, 5.22 A)
 &rst
  ixpk= 4519, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2090,2091,
 igr2=2061,2062,
 &end
#
#   42 TYR  HB-          39 SER  HB-         5.50    (#   4520:25  Unique         3.22, 4.92 A)
 &rst
  ixpk= 4520, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 658, 659,
 igr2= 618, 619,
 &end
#
#    0 AMB  25-2:4521    39 SER  HB-         5.50    (#   4521:25  Single Ambig)
 &rst
  ixpk= 4521, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.54, r4= 9.29,
 igr1= 516, 517, 518, 520, 521, 522, 514,
 igr2= 618, 619,
 &end
#
#   75 LEU  MDX          39 SER  HB-         4.50    (#   4522:25  Unique         2.46, 5.30 A)
 &rst
  ixpk= 4522, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1152,1153,1154,1156,1157,1158,
 igr2= 618, 619,
 &end
#
#   38 ILE  HA           39 SER  HB+         5.50    (#   4523:25  Unique         4.60, 5.27 A)
 &rst
  ixpk= 4523, nxpk= 25, iat= 597,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 618, 619,
 &end
#
#   55 PRO  HD+          50 THR  HA          5.50    (#   4525:25  Unique         3.11, 5.17 A)
 &rst
  ixpk= 4525, nxpk= 25, iat=  -1, 787, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 854, 855,
 &end
#
#   12 ILE  HA           11 SER  HB+         5.50    (#   4536:25  Unique         4.27, 5.22 A)
 &rst
  ixpk= 4536, nxpk= 25, iat= 181,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 172, 173,
 &end
#
#   37 TYR  HB+         104 SER  HB-         5.50    (#   4540:25  Unique         2.79, 4.25 A)
 &rst
  ixpk= 4540, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 578, 579,
 igr2=1604,1605,
 &end
#
#   43 ILE  QG2          43 ILE  HA          2.80    (#   4541:25  Unique         2.61, 3.20 A)
 &rst
  ixpk= 4541, nxpk= 25, iat=  -1, 677, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 681, 682, 683,
 &end
#
#   47 LYS  HN           46 ILE  HA          4.50    (#   4543:25  Unique         3.56, 3.62 A)
 &rst
  ixpk= 4543, nxpk= 25, iat= 740, 723, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   45 ALA  MB           46 ILE  HA          4.50    (#   4546:25  Unique         4.14, 4.88 A)
 &rst
  ixpk= 4546, nxpk= 25, iat=  -1, 723, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 715, 716, 717,
 &end
#
#    0 AMB  25-2:4548    51 ILE  HA          5.50    (#   4548:25  Single Ambig)
 &rst
  ixpk= 4548, nxpk= 25, iat=  -1, 801, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 822, 823, 766, 767,
 &end
#
#   51 ILE  HN           51 ILE  HA          3.50    (#   4549:25  Unique         2.84, 2.87 A)
 &rst
  ixpk= 4549, nxpk= 25, iat= 799, 801, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   52 ASN  HN           51 ILE  HA          4.50    (#   4550:25  Unique         3.56, 3.59 A)
 &rst
  ixpk= 4550, nxpk= 25, iat= 818, 801, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   51 ILE  HB           51 ILE  HA          3.50    (#   4551:25  Unique         3.03, 3.04 A)
 &rst
  ixpk= 4551, nxpk= 25, iat= 803, 801, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:4552    51 ILE  HA          2.80    (#   4552:25  Single Ambig)
 &rst
  ixpk= 4552, nxpk= 25, iat=  -1, 801, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1404,1405, 809, 810,
 &end
#
#   51 ILE  QG2          51 ILE  HA          2.80    (#   4553:25  Unique         2.66, 3.33 A)
 &rst
  ixpk= 4553, nxpk= 25, iat=  -1, 801, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 805, 806, 807,
 &end
#
#   50 THR  MG2          51 ILE  HA          4.50    (#   4554:25  Unique         3.58, 5.22 A)
 &rst
  ixpk= 4554, nxpk= 25, iat=  -1, 801, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 791, 792, 793,
 &end
#
#    7 PHE  HB+          11 SER  HB+         5.50    (#   4555:25  Unique         2.22, 3.55 A)
 &rst
  ixpk= 4555, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 112, 113,
 igr2= 172, 173,
 &end
#
#  116 GLN  HG+         112 ILE  HA          5.50    (#   4559:25  Unique         3.75, 4.44 A)
 &rst
  ixpk= 4559, nxpk= 25, iat=  -1,1695, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1755,1756,
 &end
#
#  100 LEU  HG           28 SER  HB+         5.50    (#   4560:25  Unique         4.52, 5.55 A)
 &rst
  ixpk= 4560, nxpk= 25, iat=1543,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 437, 438,
 &end
#
#   93 ASN  HD2+         61 PRO  HA          5.50    (#   4562:25  Unique         4.06, 5.99 A)
 &rst
  ixpk= 4562, nxpk= 25, iat=  -1, 967, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1430,1431,
 &end
#
#    0 AMB  25-2:4564    49 SER  HB-         5.50    (#   4564:25  Single Ambig)
 &rst
  ixpk= 4564, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 822, 823, 766, 767,
 igr2= 778, 779,
 &end
#
#   53 ASN  HD2+         49 SER  HB-         5.50    (#   4570:25  Unique         2.82, 5.84 A)
 &rst
  ixpk= 4570, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 841, 842,
 igr2= 778, 779,
 &end
#
#   50 THR  HN           49 SER  HB-         4.50    (#   4571:25  Unique         2.55, 3.29 A)
 &rst
  ixpk= 4571, nxpk= 25, iat= 785,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 778, 779,
 &end
#
#   49 SER  HN           49 SER  HB-         3.50    (#   4572:25  Unique         2.44, 3.07 A)
 &rst
  ixpk= 4572, nxpk= 25, iat= 774,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 778, 779,
 &end
#
#   53 ASN  HD2+         49 SER  HB+         5.50    (#   4573:25  Unique         2.82, 5.84 A)
 &rst
  ixpk= 4573, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 841, 842,
 igr2= 778, 779,
 &end
#
#    0 AMB  25-2:4575    47 LYS  HA          4.50    (#   4575:25  Single Ambig)
 &rst
  ixpk= 4575, nxpk= 25, iat=  -1, 742, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 750, 751, 344, 345,
 &end
#
#   74 ALA  HN          106 ALA  HA          5.50    (#   4598:25  Unique         5.18, 5.30 A)
 &rst
  ixpk= 4598, nxpk= 25, iat=1133,1623, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  105 ALA  HN          106 ALA  HA          5.50    (#   4599:25  Unique         4.42, 4.49 A)
 &rst
  ixpk= 4599, nxpk= 25, iat=1611,1623, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  107 ASP  HB-         106 ALA  HA          5.50    (#   4601:25  Unique         5.15, 5.46 A)
 &rst
  ixpk= 4601, nxpk= 25, iat=  -1,1623, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1635,1636,
 &end
#
#   77 THR  HN          106 ALA  HA          5.50    (#   4603:25  Unique         5.36, 5.48 A)
 &rst
  ixpk= 4603, nxpk= 25, iat=1184,1623, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  107 ASP  HA          106 ALA  MB          4.50    (#   4604:25  Unique         4.95, 5.36 A)
 &rst
  ixpk= 4604, nxpk= 25, iat=1633,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1625,1626,1627,
 &end
#
#  107 ASP  HA          106 ALA  MB          4.50    (#   4605:25  Unique         4.95, 5.36 A)
 &rst
  ixpk= 4605, nxpk= 25, iat=1633,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1625,1626,1627,
 &end
#
#  107 ASP  HB-         106 ALA  MB          5.50    (#   4606:25  Unique         4.00, 4.97 A)
 &rst
  ixpk= 4606, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1635,1636,
 igr2=1625,1626,1627,
 &end
#
#   70 PRO  HB+         106 ALA  MB          5.50    (#   4607:25  Unique         5.28, 6.48 A)
 &rst
  ixpk= 4607, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1093,1094,
 igr2=1625,1626,1627,
 &end
#
#  109 ASP  HN          107 ASP  HB+         4.50    (#   4609:25  Unique         3.46, 4.09 A)
 &rst
  ixpk= 4609, nxpk= 25, iat=1653,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1635,1636,
 &end
#
#  109 ASP  HN          107 ASP  HB-         5.50    (#   4610:25  Unique         3.46, 4.09 A)
 &rst
  ixpk= 4610, nxpk= 25, iat=1653,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1635,1636,
 &end
#
#  108 ALA  MB          108 ALA  HA          2.80    (#   4611:25  Unique         2.45, 2.66 A)
 &rst
  ixpk= 4611, nxpk= 25, iat=  -1,1645, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1647,1648,1649,
 &end
#
#  110 SER  HN          108 ALA  HA          5.50    (#   4613:25  Unique         4.28, 4.36 A)
 &rst
  ixpk= 4613, nxpk= 25, iat=1665,1645, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  110 SER  HN          108 ALA  MB          5.50    (#   4615:25  Unique         5.06, 5.57 A)
 &rst
  ixpk= 4615, nxpk= 25, iat=1665,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1647,1648,1649,
 &end
#
#  108 ALA  MB          109 ASP  HB+         4.50    (#   4618:25  Unique         4.41, 5.57 A)
 &rst
  ixpk= 4618, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1647,1648,1649,
 igr2=1657,1658,
 &end
#
#    0 AMB  25-2:4619     0 AMB  25-1:4619   4.50    (#   4619:25  Double Ambig)
 &rst
  ixpk= 4619, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1=1699,1700,1701,1706,1707,1708,
 igr2=1657,1658,1657,1658,
 &end
#
#    0 AMB  25-2:4623   119 SER  HA          5.50    (#   4623:25  Single Ambig)
 &rst
  ixpk= 4623, nxpk= 25, iat=  -1,1796, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1775,1748,
 &end
#
#  121 LEU  HN          119 SER  HA          5.50    (#   4624:25  Unique         3.35, 3.56 A)
 &rst
  ixpk= 4624, nxpk= 25, iat=1820,1796, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  25-2:4626     0 AMB  25-1:4626   5.50    (#   4626:25  Double Ambig)
 &rst
  ixpk= 4626, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=1090,1091,1873,1874,1809,1810,
 igr2=1669,1670,1796,
 &end
#
#  106 ALA  MB          110 SER  HB+         5.50    (#   4627:25  Unique         4.18, 5.56 A)
 &rst
  ixpk= 4627, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1625,1626,1627,
 igr2=1669,1670,
 &end
#
#  103 LEU  MDY         111 HIS  HA          4.50    (#   4629:25  Unique         2.23, 3.88 A)
 &rst
  ixpk= 4629, nxpk= 25, iat=  -1,1678, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1590,1591,1592,1594,1595,1596,
 &end
#
#  110 SER  HB+         111 HIS  HB-         5.50    (#   4630:25  Unique         4.52, 5.38 A)
 &rst
  ixpk= 4630, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1669,1670,
 igr2=1680,1681,
 &end
#
#  110 SER  HB+         111 HIS  HB+         5.50    (#   4631:25  Unique         4.52, 5.38 A)
 &rst
  ixpk= 4631, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1669,1670,
 igr2=1680,1681,
 &end
#
#    0 AMB  25-2:4634    43 ILE  HB          5.50    (#   4634:25  Single Ambig)
 &rst
  ixpk= 4634, nxpk= 25, iat=  -1, 679, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 642, 618, 619,
 &end
#
#  111 HIS  HB+         112 ILE  HB          5.50    (#   4635:25  Unique         4.87, 5.72 A)
 &rst
  ixpk= 4635, nxpk= 25, iat=  -1,1697, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1680,1681,
 &end
#
#    0 AMB  25-2:4636     0 AMB  25-1:4636   5.50    (#   4636:25  Double Ambig)
 &rst
  ixpk= 4636, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 658, 659,1680,1681,
 igr2= 679,1697,
 &end
#
#  112 ILE  HB          112 ILE  HG1+        2.80    (#   4639:25  Unique         2.32, 2.44 A)
 &rst
  ixpk= 4639, nxpk= 25, iat=1697,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1703,1704,
 &end
#
#    0 AMB  25-2:4644   112 ILE  QD1         5.50    (#   4644:25  Single Ambig)
 &rst
  ixpk= 4644, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1712,1676,
 igr2=1706,1707,1708,
 &end
#
#    0 AMB  25-2:4645   112 ILE  QD1         5.50    (#   4645:25  Single Ambig)
 &rst
  ixpk= 4645, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1=1714,1715,1678,
 igr2=1706,1707,1708,
 &end
#
#  116 GLN  HB+         112 ILE  QD1         5.50    (#   4646:25  Unique         6.62, 7.75 A)
 &rst
  ixpk= 4646, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1752,1753,
 igr2=1706,1707,1708,
 &end
#
#  116 GLN  HN          112 ILE  QD1         5.50    (#   4647:25  Unique         5.49, 6.49 A)
 &rst
  ixpk= 4647, nxpk= 25, iat=1748,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1706,1707,1708,
 &end
#
#  116 GLN  HE2-        112 ILE  QG2         5.50    (#   4648:25  Unique         2.29, 5.09 A)
 &rst
  ixpk= 4648, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1760,1761,
 igr2=1699,1700,1701,
 &end
#
#  116 GLN  HG-         112 ILE  QG2         4.50    (#   4649:25  Unique         2.92, 3.98 A)
 &rst
  ixpk= 4649, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1755,1756,
 igr2=1699,1700,1701,
 &end
#
#  112 ILE  HG1+        112 ILE  QG2         2.80    (#   4650:25  Unique         2.46, 3.55 A)
 &rst
  ixpk= 4650, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1703,1704,
 igr2=1699,1700,1701,
 &end
#
#  116 GLN  HG+         113 GLY  HA+         5.50    (#   4652:25  Unique         3.67, 4.95 A)
 &rst
  ixpk= 4652, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1755,1756,
 igr2=1714,1715,
 &end
#
#  116 GLN  HG+         113 GLY  HA-         5.50    (#   4653:25  Unique         3.67, 4.95 A)
 &rst
  ixpk= 4653, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1755,1756,
 igr2=1714,1715,
 &end
#
#   79 MET  HG+         114 ALA  MB          4.50    (#   4661:25  Unique         2.59, 4.22 A)
 &rst
  ixpk= 4661, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1212,1213,
 igr2=1723,1724,1725,
 &end
#
#    0 AMB  25-2:4662   114 ALA  MB          3.50    (#   4662:25  Single Ambig)
 &rst
  ixpk= 4662, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1190,1191,1192,1769,1770,1771,
 igr2=1723,1724,1725,
 &end
#
#    0 AMB  25-2:4663   114 ALA  MB          5.50    (#   4663:25  Single Ambig)
 &rst
  ixpk= 4663, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1=1782,1585,1586,
 igr2=1723,1724,1725,
 &end
#
#   79 MET  HG-         114 ALA  MB          3.50    (#   4664:25  Unique         2.59, 4.22 A)
 &rst
  ixpk= 4664, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1212,1213,
 igr2=1723,1724,1725,
 &end
#
#  114 ALA  HA          114 ALA  MB          2.80    (#   4666:25  Unique         2.42, 2.66 A)
 &rst
  ixpk= 4666, nxpk= 25, iat=1721,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1723,1724,1725,
 &end
#
#  111 HIS  HA          114 ALA  MB          3.50    (#   4667:25  Unique         2.46, 3.63 A)
 &rst
  ixpk= 4667, nxpk= 25, iat=1678,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1723,1724,1725,
 &end
#
#  110 SER  HB+         114 ALA  MB          5.50    (#   4668:25  Unique         4.47, 5.98 A)
 &rst
  ixpk= 4668, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1669,1670,
 igr2=1723,1724,1725,
 &end
#
#   67 HIS  HD2         114 ALA  MB          5.50    (#   4671:25  Unique         6.20, 6.83 A)
 &rst
  ixpk= 4671, nxpk= 25, iat=1048,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1723,1724,1725,
 &end
#
#    0 AMB  25-2:4672   114 ALA  MB          5.50    (#   4672:25  Single Ambig)
 &rst
  ixpk= 4672, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1748,1775,
 igr2=1723,1724,1725,
 &end
#
#  113 GLY  HN          114 ALA  MB          4.50    (#   4673:25  Unique         4.75, 5.48 A)
 &rst
  ixpk= 4673, nxpk= 25, iat=1712,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1723,1724,1725,
 &end
#
#  115 ILE  HN          114 ALA  MB          2.80    (#   4674:25  Unique         2.46, 3.38 A)
 &rst
  ixpk= 4674, nxpk= 25, iat=1729,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1723,1724,1725,
 &end
#
#  114 ALA  HN          114 ALA  MB          2.80    (#   4675:25  Unique         2.32, 2.83 A)
 &rst
  ixpk= 4675, nxpk= 25, iat=1719,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1723,1724,1725,
 &end
#
#  114 ALA  HN          114 ALA  MB          2.80    (#   4676:25  Unique         2.32, 2.83 A)
 &rst
  ixpk= 4676, nxpk= 25, iat=1719,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1723,1724,1725,
 &end
#
#    6 TYR  HD          114 ALA  MB          5.50    (#   4677:25  Unique         2.76, 4.91 A)
 &rst
  ixpk= 4677, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=  95, 104,
 igr2=1723,1724,1725,
 &end
#
#  103 LEU  HA          114 ALA  MB          5.50    (#   4681:25  Unique         4.33, 5.38 A)
 &rst
  ixpk= 4681, nxpk= 25, iat=1583,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1723,1724,1725,
 &end
#
#  103 LEU  MDY         114 ALA  MB          2.80    (#   4682:25  Unique         2.14, 3.66 A)
 &rst
  ixpk= 4682, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1590,1591,1592,1594,1595,1596,
 igr2=1723,1724,1725,
 &end
#
#  103 LEU  MDX         114 ALA  MB          3.50    (#   4683:25  Unique         2.14, 3.66 A)
 &rst
  ixpk= 4683, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1590,1591,1592,1594,1595,1596,
 igr2=1723,1724,1725,
 &end
#
#  103 LEU  HB+         115 ILE  HA          4.50    (#   4685:25  Unique         4.96, 5.30 A)
 &rst
  ixpk= 4685, nxpk= 25, iat=  -1,1731, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1585,1586,
 &end
#
#    0 AMB  25-2:4686   115 ILE  HA          5.50    (#   4686:25  Single Ambig)
 &rst
  ixpk= 4686, nxpk= 25, iat=  -1,1731, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1777,1796,
 &end
#
#    0 AMB  25-2:4687   115 ILE  HB          5.50    (#   4687:25  Single Ambig)
 &rst
  ixpk= 4687, nxpk= 25, iat=  -1,1733, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1712,1676,
 &end
#
#  115 ILE  QG2         115 ILE  HG1+        2.80    (#   4689:25  Unique         2.36, 3.51 A)
 &rst
  ixpk= 4689, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1735,1736,1737,
 igr2=1739,1740,
 &end
#
#  115 ILE  HB          115 ILE  HG1+        2.80    (#   4693:25  Unique         2.35, 2.42 A)
 &rst
  ixpk= 4693, nxpk= 25, iat=1733,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1739,1740,
 &end
#
#  116 GLN  HN          115 ILE  QD1         5.50    (#   4694:25  Unique         5.41, 5.90 A)
 &rst
  ixpk= 4694, nxpk= 25, iat=1748,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1742,1743,1744,
 &end
#
#    0 AMB  25-2:4700     0 AMB  25-1:4700   2.80    (#   4700:25  Double Ambig)
 &rst
  ixpk= 4700, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1028,1029,1733,
 igr2= 727, 728, 729,1735,1736,1737,
 &end
#
#  115 ILE  HG1-        115 ILE  QG2         2.80    (#   4701:25  Unique         2.36, 3.51 A)
 &rst
  ixpk= 4701, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1739,1740,
 igr2=1735,1736,1737,
 &end
#
#   25 ILE  QD1          46 ILE  QG2         2.80    (#   4702:25  Unique         2.12, 3.29 A)
 &rst
  ixpk= 4702, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 395, 396, 397,
 igr2= 727, 728, 729,
 &end
#
#  115 ILE  QD1         115 ILE  QG2         2.80    (#   4703:25  Unique         2.35, 3.71 A)
 &rst
  ixpk= 4703, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1=1742,1743,1744,
 igr2=1735,1736,1737,
 &end
#
#  115 ILE  HA          116 GLN  HA          5.50    (#   4704:25  Unique         4.80, 4.84 A)
 &rst
  ixpk= 4704, nxpk= 25, iat=1731,1750, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  116 GLN  HG+         116 GLN  HA          2.80    (#   4705:25  Unique         2.41, 3.09 A)
 &rst
  ixpk= 4705, nxpk= 25, iat=  -1,1750, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1755,1756,
 &end
#
#  116 GLN  HG-         116 GLN  HA          2.80    (#   4706:25  Unique         2.41, 3.09 A)
 &rst
  ixpk= 4706, nxpk= 25, iat=  -1,1750, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1755,1756,
 &end
#
#  133 THR  MG2         129 GLU  HA          4.50    (#   4707:25  Unique         3.20, 4.53 A)
 &rst
  ixpk= 4707, nxpk= 25, iat=  -1,1954, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=2028,2029,2030,
 &end
#
#  113 GLY  HA-         116 GLN  HB+         2.80    (#   4709:25  Unique         2.29, 4.18 A)
 &rst
  ixpk= 4709, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1714,1715,
 igr2=1752,1753,
 &end
#
#   28 SER  HB-          29 MET  HG-         4.50    (#   4710:25  Unique         2.36, 4.60 A)
 &rst
  ixpk= 4710, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 437, 438,
 igr2= 451, 452,
 &end
#
#  113 GLY  HA-         116 GLN  HG-         3.50    (#   4711:25  Unique         3.67, 4.95 A)
 &rst
  ixpk= 4711, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1714,1715,
 igr2=1755,1756,
 &end
#
#   46 ILE  QD1          29 MET  HG-         5.50    (#   4714:25  Unique         2.17, 3.85 A)
 &rst
  ixpk= 4714, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 734, 735, 736,
 igr2= 451, 452,
 &end
#
#    0 AMB  25-2:4715   117 ALA  HA          5.50    (#   4715:25  Single Ambig)
 &rst
  ixpk= 4715, nxpk= 25, iat=  -1,1767, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=  52,1723,1724,1725,
 &end
#
#    0 AMB  25-2:4717   117 ALA  HA          5.50    (#   4717:25  Single Ambig)
 &rst
  ixpk= 4717, nxpk= 25, iat=  -1,1767, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1721,2238,2239,
 &end
#
#  119 SER  HN          117 ALA  HA          4.50    (#   4718:25  Unique         4.09, 4.22 A)
 &rst
  ixpk= 4718, nxpk= 25, iat=1794,1767, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    3 LEU  HN          117 ALA  MB          5.50    (#   4719:25  Unique         3.80, 5.45 A)
 &rst
  ixpk= 4719, nxpk= 25, iat=  45,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1769,1770,1771,
 &end
#
#  142 ASP  HN          141 ALA  MB          2.80    (#   4720:25  Unique         2.67, 3.59 A)
 &rst
  ixpk= 4720, nxpk= 25, iat=2151,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=2145,2146,2147,
 &end
#
#    0 AMB  25-2:4723     0 AMB  25-1:4723   3.50    (#   4723:25  Double Ambig)
 &rst
  ixpk= 4723, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1765,2236,
 igr2=1782,1827,
 &end
#
#  119 SER  HN          118 LEU  HG          4.50    (#   4724:25  Unique         2.56, 3.45 A)
 &rst
  ixpk= 4724, nxpk= 25, iat=1794,1782, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:4727   118 LEU  MDX         3.50    (#   4727:25  Single Ambig)
 &rst
  ixpk= 4727, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1=1212,1213,1011,1012,
 igr2=1784,1785,1786,1788,1789,1790,
 &end
#
#  120 GLU  HG+         119 SER  HA          5.50    (#   4728:25  Unique         5.29, 6.18 A)
 &rst
  ixpk= 4728, nxpk= 25, iat=  -1,1796, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1812,1813,
 &end
#
#    0 AMB  25-2:4729     0 AMB  25-1:4729   5.50    (#   4729:25  Double Ambig)
 &rst
  ixpk= 4729, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1862,1863,1635,1636,
 igr2=1796,1669,1670,
 &end
#
#  111 HIS  HN          110 SER  HB+         4.50    (#   4730:25  Unique         2.68, 3.31 A)
 &rst
  ixpk= 4730, nxpk= 25, iat=1676,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1669,1670,
 &end
#
#  130 GLN  HE2+        126 GLU  HB+         3.50    (#   4735:25  Unique         2.91, 3.62 A)
 &rst
  ixpk= 4735, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1979,1980,
 igr2=1903,1904,
 &end
#
#    0 AMB  25-2:4737     0 AMB  25-1:4737   2.80    (#   4737:25  Double Ambig)
 &rst
  ixpk= 4737, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1886, 627,
 igr2=1888,1889, 629, 630,
 &end
#
#    0 AMB  25-2:4738     0 AMB  25-1:4738   2.80    (#   4738:25  Double Ambig)
 &rst
  ixpk= 4738, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
 igr1=1829,1830,1831,1833,1834,1835, 516, 517, 518, 520,
       521, 522,
 igr2=1809,1810, 629, 630,
 &end
#
#  117 ALA  HN          120 GLU  HG+         5.50    (#   4739:25  Unique         4.90, 5.57 A)
 &rst
  ixpk= 4739, nxpk= 25, iat=1765,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1812,1813,
 &end
#
#  120 GLU  HA          120 GLU  HG-         2.80    (#   4741:25  Unique         2.51, 3.38 A)
 &rst
  ixpk= 4741, nxpk= 25, iat=1807,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1812,1813,
 &end
#
#  117 ALA  MB          120 GLU  HG+         5.50    (#   4744:25  Unique         4.54, 5.41 A)
 &rst
  ixpk= 4744, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1769,1770,1771,
 igr2=1812,1813,
 &end
#
#    0 AMB  25-2:4745     0 AMB  25-1:4745   4.50    (#   4745:25  Double Ambig)
 &rst
  ixpk= 4745, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1=2145,2146,2147,1769,1770,1771,
 igr2=2075,2076,1812,1813,
 &end
#
#    0 AMB  25-2:4750     0 AMB  25-1:4750   4.50    (#   4750:25  Double Ambig)
 &rst
  ixpk= 4750, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1876,1877,1212,1213,
 igr2=1822,1602,
 &end
#
#  121 LEU  HB-         121 LEU  HA          2.80    (#   4751:25  Unique         2.40, 2.73 A)
 &rst
  ixpk= 4751, nxpk= 25, iat=  -1,1822, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1824,1825,
 &end
#
#    0 AMB  25-2:4757   132 LEU  HB-         5.50    (#   4757:25  Single Ambig)
 &rst
  ixpk= 4757, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2024,2026,
 igr2=2007,2008,
 &end
#
#    0 AMB  25-2:4760     0 AMB  25-1:4760   2.80    (#   4760:25  Double Ambig)
 &rst
  ixpk= 4760, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1=1827,2129,1237,1238,
 igr2=1824,1825,2126,2127,2126,2127,
 &end
#
#    0 AMB  25-2:4762   121 LEU  HB-         3.50    (#   4762:25  Single Ambig)
 &rst
  ixpk= 4762, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1565,1566,1779,1780,
 igr2=1824,1825,
 &end
#
#    0 AMB  25-2:4763     0 AMB  25-1:4763   2.80    (#   4763:25  Double Ambig)
 &rst
  ixpk= 4763, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.41, r4= 7.16,
 igr1= 185, 186, 187,1242,1243,1244,1246,1247,1248,1920,
      1921,1922,1829,1830,1831,1833,1834,1835,
 igr2=2126,2127,2126,2127,1824,1825,1824,1825,
 &end
#
#    0 AMB  25-2:4764   121 LEU  HB-         2.80    (#   4764:25  Single Ambig)
 &rst
  ixpk= 4764, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1=1920,1921,1922,1829,1830,1831,1833,1834,1835,1568,
      1569,1570,
 igr2=1824,1825,
 &end
#
#  121 LEU  MDY         121 LEU  HB-         2.80    (#   4765:25  Unique         2.33, 3.37 A)
 &rst
  ixpk= 4765, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1829,1830,1831,1833,1834,1835,
 igr2=1824,1825,
 &end
#
#    0 AMB  25-2:4766     0 AMB  25-1:4766   2.80    (#   4766:25  Double Ambig)
 &rst
  ixpk= 4766, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
 igr1=2131,2132,2133,2135,2136,2137,1829,1830,1831,1833,
      1834,1835,
 igr2=2126,2127,1824,1825,
 &end
#
#  128 LEU  HN          122 LEU  HA          5.50    (#   4770:25  Unique         4.99, 5.37 A)
 &rst
  ixpk= 4770, nxpk= 25, iat=1933,1841, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  119 SER  HA          122 LEU  HB-         3.50    (#   4771:25  Unique         2.36, 4.00 A)
 &rst
  ixpk= 4771, nxpk= 25, iat=1796,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1843,1844,
 &end
#
#    0 AMB  25-2:4774   122 LEU  HB-         2.80    (#   4774:25  Single Ambig)
 &rst
  ixpk= 4774, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1= 937, 938, 939, 941, 942, 943,1942,1943,1944,1946,
      1947,1948,
 igr2=1843,1844,
 &end
#
#    0 AMB  25-2:4775   122 LEU  HG          4.50    (#   4775:25  Single Ambig)
 &rst
  ixpk= 4775, nxpk= 25, iat=  -1,1846, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1777,1796,
 &end
#
#  122 LEU  HB+         123 CYS  HA          5.50    (#   4777:25  Unique         4.29, 4.79 A)
 &rst
  ixpk= 4777, nxpk= 25, iat=  -1,1860, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1843,1844,
 &end
#
#  122 LEU  HB-         123 CYS  HA          5.50    (#   4778:25  Unique         4.29, 4.79 A)
 &rst
  ixpk= 4778, nxpk= 25, iat=  -1,1860, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1843,1844,
 &end
#
#   42 TYR  HD           72 CYS  HB+         4.50    (#   4780:25  Unique         2.35, 4.53 A)
 &rst
  ixpk= 4780, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 662, 671,
 igr2=1119,1120,
 &end
#
#    0 AMB  25-2:4782     0 AMB  25-1:4782   5.50    (#   4782:25  Double Ambig)
 &rst
  ixpk= 4782, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1=1873,1874,1104,1105,
 igr2=1862,1863,1119,1120,
 &end
#
#  124 GLU  HG-         123 CYS  HB+         5.50    (#   4783:25  Unique         3.61, 5.95 A)
 &rst
  ixpk= 4783, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1876,1877,
 igr2=1862,1863,
 &end
#
#   71 GLU  HN           69 ARG  HA          5.50    (#   4784:25  Unique         4.25, 4.41 A)
 &rst
  ixpk= 4784, nxpk= 25, iat=1100,1064, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  126 GLU  HN          124 GLU  HA          3.50    (#   4785:25  Unique         3.55, 3.60 A)
 &rst
  ixpk= 4785, nxpk= 25, iat=1899,1871, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:4786     0 AMB  25-1:4786   5.50    (#   4786:25  Double Ambig)
 &rst
  ixpk= 4786, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 551, 552,1862,1863,
 igr2= 540,1871,
 &end
#
#    0 AMB  25-2:4787   124 GLU  HA          5.50    (#   4787:25  Single Ambig)
 &rst
  ixpk= 4787, nxpk= 25, iat=  -1,1871, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1927,1928,1929,1920,1921,1922,
 &end
#
#   65 MET  ME           65 MET  HB+         4.50    (#   4792:25  Unique         2.17, 3.13 A)
 &rst
  ixpk= 4792, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1015,1016,1017,
 igr2=1008,1009,
 &end
#
#   69 ARG  HB+          71 GLU  HG+         3.50    (#   4793:25  Unique         2.22, 3.73 A)
 &rst
  ixpk= 4793, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1066,1067,
 igr2=1107,1108,
 &end
#
#  124 GLU  HA          125 GLU  HA          4.50    (#   4794:25  Unique         4.35, 4.39 A)
 &rst
  ixpk= 4794, nxpk= 25, iat=1871,1886, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   86 GLN  HN           85 GLU  HB-         3.50    (#   4802:25  Unique         2.60, 3.46 A)
 &rst
  ixpk= 4802, nxpk= 25, iat=1319,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1308,1309,
 &end
#
#  130 GLN  HE2-        126 GLU  HB+         4.50    (#   4803:25  Unique         2.91, 3.62 A)
 &rst
  ixpk= 4803, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1979,1980,
 igr2=1903,1904,
 &end
#
#   86 GLN  HN           85 GLU  HG+         5.50    (#   4805:25  Unique         4.31, 4.87 A)
 &rst
  ixpk= 4805, nxpk= 25, iat=1319,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1311,1312,
 &end
#
#   86 GLN  HN           85 GLU  HG+         5.50    (#   4806:25  Unique         4.31, 4.87 A)
 &rst
  ixpk= 4806, nxpk= 25, iat=1319,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1311,1312,
 &end
#
#   15 ILE  HN           15 ILE  HB          3.50    (#   4807:25  Unique         2.36, 2.47 A)
 &rst
  ixpk= 4807, nxpk= 25, iat= 225, 229, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   17 SER  HB+          16 HIS  HB+         5.50    (#   4808:25  Unique         3.73, 5.43 A)
 &rst
  ixpk= 4808, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 265, 266,
 igr2= 248, 249,
 &end
#
#   36 ASN  HN           35 LYS  HB-         5.50    (#   4814:25  Unique         3.96, 4.31 A)
 &rst
  ixpk= 4814, nxpk= 25, iat= 560,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 542, 543,
 &end
#
#   24 ALA  MB           21 TRP  HB+         4.50    (#   4815:25  Unique         3.69, 4.82 A)
 &rst
  ixpk= 4815, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 376, 377, 378,
 igr2= 320, 321,
 &end
#
#   22 GLN  HN           21 TRP  HB+         5.50    (#   4818:25  Unique         3.21, 3.98 A)
 &rst
  ixpk= 4818, nxpk= 25, iat= 340,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 320, 321,
 &end
#
#   68 ALA  HN          103 LEU  HB-         5.50    (#   4819:25  Unique         4.80, 6.19 A)
 &rst
  ixpk= 4819, nxpk= 25, iat=1052,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1585,1586,
 &end
#
#  115 ILE  HB          103 LEU  MDX         4.50    (#   4824:25  Unique         3.82, 5.49 A)
 &rst
  ixpk= 4824, nxpk= 25, iat=1733,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1590,1591,1592,1594,1595,1596,
 &end
#
#  111 HIS  HB-         103 LEU  MDX         5.50    (#   4825:25  Unique         3.34, 5.65 A)
 &rst
  ixpk= 4825, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1680,1681,
 igr2=1590,1591,1592,1594,1595,1596,
 &end
#
#  105 ALA  HA          103 LEU  MDY         5.50    (#   4827:25  Unique         4.07, 6.02 A)
 &rst
  ixpk= 4827, nxpk= 25, iat=1613,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1590,1591,1592,1594,1595,1596,
 &end
#
#   79 MET  HA          103 LEU  MDY         4.50    (#   4828:25  Unique         4.26, 5.92 A)
 &rst
  ixpk= 4828, nxpk= 25, iat=1207,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1590,1591,1592,1594,1595,1596,
 &end
#
#   44 GLN  HE2-         22 GLN  HA          4.50    (#   4831:25  Unique         4.80, 5.47 A)
 &rst
  ixpk= 4831, nxpk= 25, iat=  -1, 342, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 706, 707,
 &end
#
#   44 GLN  HE2-         25 ILE  HG1-        5.50    (#   4839:25  Unique         6.15, 7.40 A)
 &rst
  ixpk= 4839, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 706, 707,
 igr2= 392, 393,
 &end
#
#   47 LYS  HN           25 ILE  QD1         5.50    (#   4841:25  Unique         2.94, 4.13 A)
 &rst
  ixpk= 4841, nxpk= 25, iat= 740,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 395, 396, 397,
 &end
#
#   28 SER  HB+          25 ILE  QD1         5.50    (#   4844:25  Unique         4.78, 6.55 A)
 &rst
  ixpk= 4844, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 437, 438,
 igr2= 395, 396, 397,
 &end
#
#   66 PRO  HD-          25 ILE  QD1         5.50    (#   4845:25  Unique         5.76, 7.55 A)
 &rst
  ixpk= 4845, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1022,1023,
 igr2= 395, 396, 397,
 &end
#
#   43 ILE  HN           25 ILE  QG2         5.50    (#   4846:25  Unique         5.75, 6.47 A)
 &rst
  ixpk= 4846, nxpk= 25, iat= 675,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 388, 389, 390,
 &end
#
#   27 PHE  HN           26 ASP  HB+         3.50    (#   4848:25  Unique         2.38, 3.22 A)
 &rst
  ixpk= 4848, nxpk= 25, iat= 413,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 405, 406,
 &end
#
#   26 ASP  HN           26 ASP  HB+         3.50    (#   4849:25  Unique         2.44, 2.56 A)
 &rst
  ixpk= 4849, nxpk= 25, iat= 401,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 405, 406,
 &end
#
#   79 MET  HN            6 TYR  HB-         4.50    (#   4850:25  Unique         2.90, 3.64 A)
 &rst
  ixpk= 4850, nxpk= 25, iat=1205,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  91,  92,
 &end
#
#   25 ILE  QG2          29 MET  HG+         4.50    (#   4851:25  Unique         2.23, 3.53 A)
 &rst
  ixpk= 4851, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 388, 389, 390,
 igr2= 451, 452,
 &end
#
#   66 PRO  HB+          29 MET  ME          4.50    (#   4853:25  Unique         2.91, 5.22 A)
 &rst
  ixpk= 4853, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1028,1029,
 igr2= 455, 456, 457,
 &end
#
#   66 PRO  HD+          29 MET  ME          5.50    (#   4854:25  Unique         3.55, 5.77 A)
 &rst
  ixpk= 4854, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1022,1023,
 igr2= 455, 456, 457,
 &end
#
#   67 HIS  HB-          29 MET  ME          5.50    (#   4855:25  Unique         3.19, 5.03 A)
 &rst
  ixpk= 4855, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1039,1040,
 igr2= 455, 456, 457,
 &end
#
#   67 HIS  HN           29 MET  ME          5.50    (#   4858:25  Unique         2.59, 3.91 A)
 &rst
  ixpk= 4858, nxpk= 25, iat=1035,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 455, 456, 457,
 &end
#
#    0 AMB  25-2:4859    29 MET  ME          5.50    (#   4859:25  Single Ambig)
 &rst
  ixpk= 4859, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1=1226,1227,1602,
 igr2= 455, 456, 457,
 &end
#
#    0 AMB  25-2:4860    30 VAL  HA          5.50    (#   4860:25  Single Ambig)
 &rst
  ixpk= 4860, nxpk= 25, iat=  -1, 463, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 448, 449, 685, 686, 492, 493,
 &end
#
#   33 LEU  MDY          30 VAL  HA          5.50    (#   4861:25  Unique         3.12, 5.11 A)
 &rst
  ixpk= 4861, nxpk= 25, iat=  -1, 463, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 516, 517, 518, 520, 521, 522,
 &end
#
#   31 SER  HN           30 VAL  MGX         4.50    (#   4863:25  Unique         2.45, 3.90 A)
 &rst
  ixpk= 4863, nxpk= 25, iat= 477,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 467, 468, 469, 471, 472, 473,
 &end
#
#   31 SER  HA           30 VAL  MGX         5.50    (#   4864:25  Unique         3.54, 4.74 A)
 &rst
  ixpk= 4864, nxpk= 25, iat= 479,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 467, 468, 469, 471, 472, 473,
 &end
#
#   38 ILE  HN           32 LEU  HA          5.50    (#   4867:25  Unique         4.54, 4.91 A)
 &rst
  ixpk= 4867, nxpk= 25, iat= 595, 490, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   33 LEU  HN           32 LEU  HB-         5.50    (#   4868:25  Unique         2.44, 3.10 A)
 &rst
  ixpk= 4868, nxpk= 25, iat= 507,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 492, 493,
 &end
#
#    0 AMB  25-2:4871    32 LEU  MDY         4.50    (#   4871:25  Single Ambig)
 &rst
  ixpk= 4871, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 601, 602, 603, 605, 606,
 igr2= 497, 498, 499, 501, 502, 503,
 &end
#
#   38 ILE  QD1          32 LEU  MDY         4.50    (#   4872:25  Unique         2.76, 5.79 A)
 &rst
  ixpk= 4872, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 608, 609, 610,
 igr2= 497, 498, 499, 501, 502, 503,
 &end
#
#    0 AMB  25-2:4874     0 AMB  25-1:4874   5.50    (#   4874:25  Double Ambig)
 &rst
  ixpk= 4874, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 528, 562,
 igr2= 545, 546, 545, 546,
 &end
#
#    0 AMB  25-2:4879    38 ILE  HA          5.50    (#   4879:25  Single Ambig)
 &rst
  ixpk= 4879, nxpk= 25, iat=  -1, 597, r1= 0.00, r2= 1.80, r3= 7.61, r4= 8.36,
 igr1= 516, 517, 518, 520, 521, 522, 514,
 &end
#
#    0 AMB  25-2:4880     0 AMB  25-1:4880   5.50    (#   4880:25  Double Ambig)
 &rst
  ixpk= 4880, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1= 569, 570, 582, 591,
 igr2=1169,1170,1169,1170,
 &end
#
#    0 AMB  25-2:4882    38 ILE  QD1         4.50    (#   4882:25  Single Ambig)
 &rst
  ixpk= 4882, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 490, 656, 618, 619,
 igr2= 608, 609, 610,
 &end
#
#   53 ASN  HN           50 THR  HA          4.50    (#   4884:25  Unique         3.27, 3.82 A)
 &rst
  ixpk= 4884, nxpk= 25, iat= 832, 787, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   46 ILE  HG1+         43 ILE  HA          5.50    (#   4885:25  Unique         2.70, 4.05 A)
 &rst
  ixpk= 4885, nxpk= 25, iat=  -1, 677, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 731, 732,
 &end
#
#   29 MET  HG+          43 ILE  QD1         4.50    (#   4888:25  Unique         3.35, 4.96 A)
 &rst
  ixpk= 4888, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 451, 452,
 igr2= 688, 689, 690,
 &end
#
#   44 GLN  HN           43 ILE  QD1         5.50    (#   4889:25  Unique         4.80, 5.70 A)
 &rst
  ixpk= 4889, nxpk= 25, iat= 694,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 688, 689, 690,
 &end
#
#  104 SER  HB+          46 ILE  QD1         5.50    (#   4890:25  Unique         6.18, 7.74 A)
 &rst
  ixpk= 4890, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1604,1605,
 igr2= 734, 735, 736,
 &end
#
#   42 TYR  HB-          46 ILE  QD1         5.50    (#   4892:25  Unique         4.61, 6.56 A)
 &rst
  ixpk= 4892, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 658, 659,
 igr2= 734, 735, 736,
 &end
#
#   67 HIS  HB-          46 ILE  QD1         4.50    (#   4893:25  Unique         3.98, 5.53 A)
 &rst
  ixpk= 4893, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1039,1040,
 igr2= 734, 735, 736,
 &end
#
#   54 GLY  HA+          50 THR  MG2         5.50    (#   4895:25  Unique         2.17, 4.67 A)
 &rst
  ixpk= 4895, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 848, 849,
 igr2= 791, 792, 793,
 &end
#
#   66 PRO  HD-          64 ALA  MB          5.50    (#   4900:25  Unique         2.53, 4.41 A)
 &rst
  ixpk= 4900, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1022,1023,
 igr2= 998, 999,1000,
 &end
#
#   85 GLU  HA           83 LEU  MDY         4.50    (#   4901:25  Unique         2.57, 5.18 A)
 &rst
  ixpk= 4901, nxpk= 25, iat=1306,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1275,1276,1277,1279,1280,1281,
 &end
#
#  122 LEU  MDX          65 MET  HG+         5.50    (#   4904:25  Unique         2.49, 5.75 A)
 &rst
  ixpk= 4904, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1848,1849,1850,1852,1853,1854,
 igr2=1011,1012,
 &end
#
#    0 AMB  25-2:4905     0 AMB  25-1:4905   5.50    (#   4905:25  Double Ambig)
 &rst
  ixpk= 4905, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1=1742,1743,1744,1590,1591,1592,1594,1595,1596,
 igr2=1011,1012,1011,1012,
 &end
#
#   45 ALA  MB           68 ALA  HA          4.50    (#   4909:25  Unique         5.00, 5.71 A)
 &rst
  ixpk= 4909, nxpk= 25, iat=  -1,1054, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 715, 716, 717,
 &end
#
#   59 LEU  HB-          60 ALA  HA          4.50    (#   4910:25  Unique         4.82, 5.03 A)
 &rst
  ixpk= 4910, nxpk= 25, iat=  -1, 949, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 932, 933,
 &end
#
#   67 HIS  HD2          68 ALA  HA          5.50    (#   4912:25  Unique         5.03, 5.30 A)
 &rst
  ixpk= 4912, nxpk= 25, iat=1048,1054, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  25-2:4915    68 ALA  MB          4.50    (#   4915:25  Single Ambig)
 &rst
  ixpk= 4915, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1117, 713, 778, 779,
 igr2=1056,1057,1058,
 &end
#
#    0 AMB  25-2:4917    70 PRO  HA          4.50    (#   4917:25  Single Ambig)
 &rst
  ixpk= 4917, nxpk= 25, iat=  -1,1096, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1135,1645,
 &end
#
#   71 GLU  HA           70 PRO  HB+         4.50    (#   4918:25  Unique         3.88, 4.37 A)
 &rst
  ixpk= 4918, nxpk= 25, iat=1102,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1093,1094,
 &end
#
#    0 AMB  25-2:4920     0 AMB  25-1:4920   5.50    (#   4920:25  Double Ambig)
 &rst
  ixpk= 4920, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1645,1135,
 igr2=1093,1094,1093,1094,
 &end
#
#   71 GLU  HA           70 PRO  HB-         4.50    (#   4921:25  Unique         3.88, 4.37 A)
 &rst
  ixpk= 4921, nxpk= 25, iat=1102,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1093,1094,
 &end
#
#    0 AMB  25-2:4926    74 ALA  HA          5.50    (#   4926:25  Single Ambig)
 &rst
  ixpk= 4926, nxpk= 25, iat=  -1,1135, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1166,1167,1169,1170,
 &end
#
#    0 AMB  25-2:4927    74 ALA  MB          3.50    (#   4927:25  Single Ambig)
 &rst
  ixpk= 4927, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1602,1102,
 igr2=1137,1138,1139,
 &end
#
#  135 SER  HA           14 VAL  MGY         4.50    (#   4942:25  Unique         2.67, 5.24 A)
 &rst
  ixpk= 4942, nxpk= 25, iat=2048,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 215, 216, 217, 219, 220, 221,
 &end
#
#   14 VAL  HN           14 VAL  MGY         3.50    (#   4943:25  Unique         2.25, 4.15 A)
 &rst
  ixpk= 4943, nxpk= 25, iat= 209,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 215, 216, 217, 219, 220, 221,
 &end
#
#   83 LEU  HN           14 VAL  MGY         4.50    (#   4944:25  Unique         3.80, 5.26 A)
 &rst
  ixpk= 4944, nxpk= 25, iat=1266,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 215, 216, 217, 219, 220, 221,
 &end
#
#   15 ILE  HN           14 VAL  MGY         4.50    (#   4945:25  Unique         2.65, 4.21 A)
 &rst
  ixpk= 4945, nxpk= 25, iat= 225,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 215, 216, 217, 219, 220, 221,
 &end
#
#  136 SER  HN           14 VAL  MGY         4.50    (#   4946:25  Unique         2.96, 5.05 A)
 &rst
  ixpk= 4946, nxpk= 25, iat=2057,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 215, 216, 217, 219, 220, 221,
 &end
#
#  137 GLU  HA           14 VAL  MGY         2.80    (#   4948:25  Unique         2.17, 4.50 A)
 &rst
  ixpk= 4948, nxpk= 25, iat=2070,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 215, 216, 217, 219, 220, 221,
 &end
#
#  137 GLU  HG-          14 VAL  MGY         3.50    (#   4949:25  Unique         2.20, 5.41 A)
 &rst
  ixpk= 4949, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=2075,2076,
 igr2= 215, 216, 217, 219, 220, 221,
 &end
#
#    0 AMB  25-2:4950    14 VAL  MGY         2.80    (#   4950:25  Single Ambig)
 &rst
  ixpk= 4950, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1270,1271, 213,
 igr2= 215, 216, 217, 219, 220, 221,
 &end
#
#   83 LEU  MDX          14 VAL  MGY         2.80    (#   4952:25  Unique         2.22, 5.44 A)
 &rst
  ixpk= 4952, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=1275,1276,1277,1279,1280,1281,
 igr2= 215, 216, 217, 219, 220, 221,
 &end
#
#   83 LEU  HB-          14 VAL  MGY         2.80    (#   4953:25  Unique         2.29, 4.18 A)
 &rst
  ixpk= 4953, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1270,1271,
 igr2= 215, 216, 217, 219, 220, 221,
 &end
#
#   37 TYR  HA           76 LYS  HD-         4.50    (#   4958:25  Unique         2.43, 4.06 A)
 &rst
  ixpk= 4958, nxpk= 25, iat= 576,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1172,1173,
 &end
#
#   77 THR  HN           76 LYS  HD-         5.50    (#   4960:25  Unique         4.86, 5.51 A)
 &rst
  ixpk= 4960, nxpk= 25, iat=1184,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1172,1173,
 &end
#
#    0 AMB  25-2:4961    76 LYS  HE-         2.80    (#   4961:25  Single Ambig)
 &rst
  ixpk= 4961, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1166,1167,1172,1173,1169,1170,
 igr2=1175,1176,
 &end
#
#  105 ALA  HA           77 THR  HA          3.50    (#   4963:25  Unique         1.91, 1.94 A)
 &rst
  ixpk= 4963, nxpk= 25, iat=1613,1186, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   76 LYS  HB+          77 THR  HB          4.50    (#   4966:25  Unique         4.59, 5.24 A)
 &rst
  ixpk= 4966, nxpk= 25, iat=  -1,1188, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1166,1167,
 &end
#
#  103 LEU  MDX          79 MET  HA          5.50    (#   4968:25  Unique         4.26, 5.92 A)
 &rst
  ixpk= 4968, nxpk= 25, iat=  -1,1207, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1590,1591,1592,1594,1595,1596,
 &end
#
#  103 LEU  MDX          79 MET  HG-         5.50    (#   4970:25  Unique         3.22, 4.62 A)
 &rst
  ixpk= 4970, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1590,1591,1592,1594,1595,1596,
 igr2=1212,1213,
 &end
#
#  114 ALA  MB           79 MET  HG-         5.50    (#   4971:25  Unique         2.59, 4.22 A)
 &rst
  ixpk= 4971, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1723,1724,1725,
 igr2=1212,1213,
 &end
#
#  144 ILE  QD1          81 LEU  HB-         5.50    (#   4981:25  Unique         2.20, 5.22 A)
 &rst
  ixpk= 4981, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=2195,2196,2197,
 igr2=1237,1238,
 &end
#
#  144 ILE  QD1          81 LEU  HB+         5.50    (#   4982:25  Unique         2.20, 5.22 A)
 &rst
  ixpk= 4982, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=2195,2196,2197,
 igr2=1237,1238,
 &end
#
#    0 AMB  25-2:4984    82 THR  MG2         2.80    (#   4984:25  Single Ambig)
 &rst
  ixpk= 4984, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1=1256, 437, 438,
 igr2=1258,1259,1260,
 &end
#
#   99 LEU  HA           82 THR  MG2         4.50    (#   4985:25  Unique         4.82, 5.82 A)
 &rst
  ixpk= 4985, nxpk= 25, iat=1519,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1258,1259,1260,
 &end
#
#   84 LEU  HN           83 LEU  HB+         5.50    (#   4986:25  Unique         3.81, 4.18 A)
 &rst
  ixpk= 4986, nxpk= 25, iat=1285,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1270,1271,
 &end
#
#   14 VAL  HA           83 LEU  HB-         4.50    (#   4988:25  Unique         2.28, 3.21 A)
 &rst
  ixpk= 4988, nxpk= 25, iat= 211,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1270,1271,
 &end
#
#   65 MET  HA           64 ALA  MB          4.50    (#   4989:25  Unique         4.09, 4.77 A)
 &rst
  ixpk= 4989, nxpk= 25, iat=1006,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 998, 999,1000,
 &end
#
#   15 ILE  QG2          84 LEU  HA          3.50    (#   4992:25  Unique         2.84, 4.12 A)
 &rst
  ixpk= 4992, nxpk= 25, iat=  -1,1287, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 231, 232, 233,
 &end
#
#    0 AMB  25-2:4993    84 LEU  MDX         4.50    (#   4993:25  Single Ambig)
 &rst
  ixpk= 4993, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 246, 227,
 igr2=1294,1295,1296,1298,1299,1300,
 &end
#
#   17 SER  HA           86 GLN  HB+         3.50    (#   4995:25  Unique         2.75, 3.92 A)
 &rst
  ixpk= 4995, nxpk= 25, iat= 263,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1323,1324,
 &end
#
#   85 GLU  HN           86 GLN  HB+         5.50    (#   4997:25  Unique         5.04, 5.91 A)
 &rst
  ixpk= 4997, nxpk= 25, iat=1304,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1323,1324,
 &end
#
#   85 GLU  HN           86 GLN  HG+         4.50    (#   4998:25  Unique         4.46, 5.34 A)
 &rst
  ixpk= 4998, nxpk= 25, iat=1304,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1326,1327,
 &end
#
#   97 ILE  HB           87 GLY  HA+         5.50    (#   4999:25  Unique         3.46, 4.59 A)
 &rst
  ixpk= 4999, nxpk= 25, iat=1480,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1338,1339,
 &end
#
#   84 LEU  MDX          87 GLY  HA+         5.50    (#   5000:25  Unique         2.13, 5.67 A)
 &rst
  ixpk= 5000, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1294,1295,1296,1298,1299,1300,
 igr2=1338,1339,
 &end
#
#   84 LEU  MDX          87 GLY  HA-         5.50    (#   5001:25  Unique         2.13, 5.67 A)
 &rst
  ixpk= 5001, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1294,1295,1296,1298,1299,1300,
 igr2=1338,1339,
 &end
#
#   91 PRO  HB+          91 PRO  HA          2.80    (#   5003:25  Unique         2.25, 2.55 A)
 &rst
  ixpk= 5003, nxpk= 25, iat=  -1,1410, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1407,1408,
 &end
#
#   92 GLY  HN           91 PRO  HA          3.50    (#   5004:25  Unique         2.15, 2.83 A)
 &rst
  ixpk= 5004, nxpk= 25, iat=1414,1410, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   55 PRO  HG-          91 PRO  HD+         5.50    (#   5008:25  Unique         3.99, 6.36 A)
 &rst
  ixpk= 5008, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 857, 858,
 igr2=1401,1402,
 &end
#
#   95 GLU  HN           95 GLU  HA          4.50    (#   5009:25  Unique         2.79, 2.92 A)
 &rst
  ixpk= 5009, nxpk= 25, iat=1447,1449, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   98 LYS  HD+          96 PRO  HB-         5.50    (#   5010:25  Unique         3.66, 6.82 A)
 &rst
  ixpk= 5010, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1505,1506,
 igr2=1469,1470,
 &end
#
#   97 ILE  HG1-         97 ILE  QD1         2.80    (#   5018:25  Unique         2.39, 2.66 A)
 &rst
  ixpk= 5018, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1486,1487,
 igr2=1489,1490,1491,
 &end
#
#   97 ILE  HG1-         97 ILE  QD1         3.50    (#   5019:25  Unique         2.39, 2.66 A)
 &rst
  ixpk= 5019, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1486,1487,
 igr2=1489,1490,1491,
 &end
#
#    0 AMB  25-2:5021    98 LYS  HA          4.50    (#   5021:25  Single Ambig)
 &rst
  ixpk= 5021, nxpk= 25, iat=  -1,1497, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1=1526,1527,1528,1530,1531,1532,1545,1546,1547,1549,
      1550,1551,2012,2013,2014,2016,2017,2018,2012,2013,
      2014,2016,2017,2018,
 &end
#
#  122 LEU  MDX          65 MET  HB-         5.50    (#   5022:25  Unique         2.10, 4.85 A)
 &rst
  ixpk= 5022, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1848,1849,1850,1852,1853,1854,
 igr2=1008,1009,
 &end
#
#   98 LYS  HE-          98 LYS  HB-         4.50    (#   5023:25  Unique         1.99, 3.60 A)
 &rst
  ixpk= 5023, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1508,1509,
 igr2=1499,1500,
 &end
#
#   85 GLU  HA           98 LYS  HB-         5.50    (#   5026:25  Unique         2.81, 4.26 A)
 &rst
  ixpk= 5026, nxpk= 25, iat=1306,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1499,1500,
 &end
#
#   19 LYS  HB+          19 LYS  HG+         2.80    (#   5027:25  Unique         2.27, 2.66 A)
 &rst
  ixpk= 5027, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 286, 287,
 igr2= 289, 290,
 &end
#
#   83 LEU  MDY          99 LEU  HB+         4.50    (#   5028:25  Unique         2.39, 5.85 A)
 &rst
  ixpk= 5028, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1275,1276,1277,1279,1280,1281,
 igr2=1521,1522,
 &end
#
#   99 LEU  HG           99 LEU  HB+         3.50    (#   5029:25  Unique         2.23, 2.59 A)
 &rst
  ixpk= 5029, nxpk= 25, iat=1524,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1521,1522,
 &end
#
#    0 AMB  25-2:5030     0 AMB  25-1:5030   4.50    (#   5030:25  Double Ambig)
 &rst
  ixpk= 5030, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=1557,1268, 996,
 igr2=1540,1541,1540,1541,1540,1541,
 &end
#
#   28 SER  HA          100 LEU  HB-         5.50    (#   5032:25  Unique         3.24, 4.52 A)
 &rst
  ixpk= 5032, nxpk= 25, iat= 435,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1540,1541,
 &end
#
#   66 PRO  HD-         100 LEU  HB-         5.50    (#   5033:25  Unique         2.26, 3.50 A)
 &rst
  ixpk= 5033, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1022,1023,
 igr2=1540,1541,
 &end
#
#    0 AMB  25-2:5034   100 LEU  HB-         4.50    (#   5034:25  Single Ambig)
 &rst
  ixpk= 5034, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 455, 456, 457,1521,1522,
 igr2=1540,1541,
 &end
#
#    0 AMB  25-2:5035   101 ILE  HA          4.50    (#   5035:25  Single Ambig)
 &rst
  ixpk= 5035, nxpk= 25, iat=  -1,1557, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1540,1541,1521,1522,
 &end
#
#   65 MET  HA          102 GLY  HA+         5.50    (#   5037:25  Unique         4.33, 5.18 A)
 &rst
  ixpk= 5037, nxpk= 25, iat=1006,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1576,1577,
 &end
#
#  140 LEU  MDX         134 ALA  MB          2.80    (#   5044:25  Unique         2.54, 4.44 A)
 &rst
  ixpk= 5044, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=2131,2132,2133,2135,2136,2137,
 igr2=2040,2041,2042,
 &end
#
#   70 PRO  HB+         105 ALA  MB          5.50    (#   5045:25  Unique         4.08, 5.56 A)
 &rst
  ixpk= 5045, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1093,1094,
 igr2=1615,1616,1617,
 &end
#
#  110 SER  HB+         105 ALA  MB          3.50    (#   5046:25  Unique         2.15, 3.71 A)
 &rst
  ixpk= 5046, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1669,1670,
 igr2=1615,1616,1617,
 &end
#
#  143 ILE  HN          141 ALA  HA          4.50    (#   5057:25  Unique         4.21, 4.43 A)
 &rst
  ixpk= 5057, nxpk= 25, iat=2163,2143, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    3 LEU  HA          117 ALA  MB          3.50    (#   5058:25  Unique         2.38, 3.66 A)
 &rst
  ixpk= 5058, nxpk= 25, iat=  47,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1769,1770,1771,
 &end
#
#  130 GLN  HN          131 LEU  HB+         5.50    (#   5061:25  Unique         4.61, 5.41 A)
 &rst
  ixpk= 5061, nxpk= 25, iat=1967,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1988,1989,
 &end
#
#  134 ALA  MB          133 THR  HA          5.50    (#   5062:25  Unique         5.23, 5.82 A)
 &rst
  ixpk= 5062, nxpk= 25, iat=  -1,2024, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=2040,2041,2042,
 &end
#
#    0 AMB  25-2:5066     0 AMB  25-1:5066   4.50    (#   5066:25  Double Ambig)
 &rst
  ixpk= 5066, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=2050,2051,2070,
 igr2=2061,2062,2061,2062,
 &end
#
#  135 SER  HB+         136 SER  HB+         4.50    (#   5067:25  Unique         3.91, 5.45 A)
 &rst
  ixpk= 5067, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=2050,2051,
 igr2=2061,2062,
 &end
#
#  140 LEU  MDY         141 ALA  HA          5.50    (#   5072:25  Unique         6.43, 7.25 A)
 &rst
  ixpk= 5072, nxpk= 25, iat=  -1,2143, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=2131,2132,2133,2135,2136,2137,
 &end
#
#  143 ILE  HN          143 ILE  QD1         3.50    (#   5074:25  Unique         3.39, 4.12 A)
 &rst
  ixpk= 5074, nxpk= 25, iat=2163,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=2176,2177,2178,
 &end
#
#    3 LEU  HB+         144 ILE  QG2         3.50    (#   5075:25  Unique         2.11, 3.70 A)
 &rst
  ixpk= 5075, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=  49,  50,
 igr2=2188,2189,2190,
 &end
#
#    0 AMB  25-2:5077     0 AMB  25-1:5077   5.50    (#   5077:25  Double Ambig)
 &rst
  ixpk= 5077, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1655,1633,
 igr2=1680,1681,1680,1681,
 &end
#
#   32 LEU  HA           32 LEU  HB-         4.50    (#   5079:25  Unique         2.47, 2.79 A)
 &rst
  ixpk= 5079, nxpk= 25, iat= 490,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 492, 493,
 &end
#
#   78 GLY  HN           78 GLY  HA+         4.50    (#   5124:25  Unique         2.75, 2.82 A)
 &rst
  ixpk= 5124, nxpk= 25, iat=1198,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1200,1201,
 &end
#
#   78 GLY  HN           78 GLY  HA-         4.50    (#   5125:25  Unique         2.75, 2.82 A)
 &rst
  ixpk= 5125, nxpk= 25, iat=1198,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1200,1201,
 &end
#
#   79 MET  HN           78 GLY  HA+         3.50    (#   5126:25  Unique         2.49, 2.62 A)
 &rst
  ixpk= 5126, nxpk= 25, iat=1205,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1200,1201,
 &end
#
#   79 MET  HN           78 GLY  HA-         3.50    (#   5127:25  Unique         2.49, 2.62 A)
 &rst
  ixpk= 5127, nxpk= 25, iat=1205,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1200,1201,
 &end
#
#    6 TYR  HD           78 GLY  HA+         5.50    (#   5128:25  Unique         2.73, 5.33 A)
 &rst
  ixpk= 5128, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=  95, 104,
 igr2=1200,1201,
 &end
#
#   37 TYR  HD           78 GLY  HA+         5.50    (#   5130:25  Unique         2.74, 4.90 A)
 &rst
  ixpk= 5130, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 582, 591,
 igr2=1200,1201,
 &end
#
#   37 TYR  HD           78 GLY  HA-         5.50    (#   5135:25  Unique         2.74, 4.90 A)
 &rst
  ixpk= 5135, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 582, 591,
 igr2=1200,1201,
 &end
#
#    6 TYR  HD           78 GLY  HA-         5.50    (#   5138:25  Unique         2.73, 5.33 A)
 &rst
  ixpk= 5138, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=  95, 104,
 igr2=1200,1201,
 &end
#
#    6 TYR  HA           78 GLY  HA-         4.50    (#   5141:25  Unique         2.41, 3.43 A)
 &rst
  ixpk= 5141, nxpk= 25, iat=  89,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1200,1201,
 &end
#
#    6 TYR  HA           78 GLY  HA+         4.50    (#   5142:25  Unique         2.41, 3.43 A)
 &rst
  ixpk= 5142, nxpk= 25, iat=  89,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1200,1201,
 &end
#
#    6 TYR  HB-          78 GLY  HA+         4.50    (#   5145:25  Unique         2.45, 4.29 A)
 &rst
  ixpk= 5145, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=  91,  92,
 igr2=1200,1201,
 &end
#
#    6 TYR  HB-          78 GLY  HA-         5.50    (#   5146:25  Unique         2.45, 4.29 A)
 &rst
  ixpk= 5146, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=  91,  92,
 igr2=1200,1201,
 &end
#
#   79 MET  HG-          78 GLY  HA+         5.50    (#   5147:25  Unique         3.61, 4.84 A)
 &rst
  ixpk= 5147, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1212,1213,
 igr2=1200,1201,
 &end
#
#   79 MET  HG-          78 GLY  HA-         5.50    (#   5151:25  Unique         3.61, 4.84 A)
 &rst
  ixpk= 5151, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1212,1213,
 igr2=1200,1201,
 &end
#
#   32 LEU  MDX          78 GLY  HA+         5.50    (#   5152:25  Unique         2.79, 5.17 A)
 &rst
  ixpk= 5152, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 497, 498, 499, 501, 502, 503,
 igr2=1200,1201,
 &end
#
#   95 GLU  HN           95 GLU  HB-         2.80    (#   5161:25  Unique         2.15, 3.26 A)
 &rst
  ixpk= 5161, nxpk= 25, iat=1447,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1451,1452,
 &end
#
#  137 GLU  HN           14 VAL  MGY         4.50    (#   5162:25  Unique         2.93, 4.84 A)
 &rst
  ixpk= 5162, nxpk= 25, iat=2068,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 215, 216, 217, 219, 220, 221,
 &end
#
#  102 GLY  HA-          66 PRO  HD+         5.50    (#   5163:25  Unique         2.56, 4.73 A)
 &rst
  ixpk= 5163, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1576,1577,
 igr2=1022,1023,
 &end
#
#   37 TYR  HD           77 THR  HA          5.50    (#   5167:25  Unique         3.67, 5.89 A)
 &rst
  ixpk= 5167, nxpk= 25, iat=  -1,1186, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 582, 591,
 &end
#
#   61 PRO  HD-          61 PRO  HG+         3.50    (#   5186:25  Unique         2.33, 2.61 A)
 &rst
  ixpk= 5186, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 958, 959,
 igr2= 961, 962,
 &end
#
#   27 PHE  HA           30 VAL  HB          4.50    (#   5201:25  Unique         2.77, 3.27 A)
 &rst
  ixpk= 5201, nxpk= 25, iat= 415, 465, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:5202    65 MET  HG-         5.50    (#   5202:25  Single Ambig)
 &rst
  ixpk= 5202, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=1742,1743,1744,1590,1591,1592,1594,1595,1596,
 igr2=1011,1012,
 &end
#
#   33 LEU  MDY          43 ILE  QD1         4.50    (#   5203:25  Unique         2.25, 4.13 A)
 &rst
  ixpk= 5203, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 516, 517, 518, 520, 521, 522,
 igr2= 688, 689, 690,
 &end
#
#    0 AMB  25-2:5204    43 ILE  QD1         4.50    (#   5204:25  Single Ambig)
 &rst
  ixpk= 5204, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 451, 452, 405, 406,
 igr2= 688, 689, 690,
 &end
#
#   47 LYS  HE-          25 ILE  QG2         4.50    (#   5205:25  Unique         2.79, 4.04 A)
 &rst
  ixpk= 5205, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 753, 754,
 igr2= 388, 389, 390,
 &end
#
#   47 LYS  HG+          25 ILE  QD1         3.50    (#   5206:25  Unique         2.34, 3.68 A)
 &rst
  ixpk= 5206, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 747, 748,
 igr2= 395, 396, 397,
 &end
#
#  145 SER  HN          144 ILE  HB          2.80    (#   5208:25  Unique         2.31, 2.59 A)
 &rst
  ixpk= 5208, nxpk= 25, iat=2201,2186, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  128 LEU  HN          127 ILE  HG1-        5.50    (#   5209:25  Unique         5.02, 5.17 A)
 &rst
  ixpk= 5209, nxpk= 25, iat=1933,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1924,1925,
 &end
#
#    1 MET  HB+           5 ASP  HB-         4.50    (#   5213:25  Unique         3.60, 5.68 A)
 &rst
  ixpk= 5213, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=   8,   9,
 igr2=  79,  80,
 &end
#
#    1 MET  HB-           5 ASP  HB-         4.50    (#   5214:25  Unique         3.60, 5.68 A)
 &rst
  ixpk= 5214, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=   8,   9,
 igr2=  79,  80,
 &end
#
#    5 ASP  HN            5 ASP  HB+         2.80    (#   5216:25  Unique         2.44, 2.51 A)
 &rst
  ixpk= 5216, nxpk= 25, iat=  75,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=  79,  80,
 &end
#
#    5 ASP  HN            5 ASP  HB-         3.50    (#   5217:25  Unique         2.44, 2.51 A)
 &rst
  ixpk= 5217, nxpk= 25, iat=  75,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  79,  80,
 &end
#
#    6 TYR  HN            5 ASP  HB+         4.50    (#   5218:25  Unique         2.87, 3.53 A)
 &rst
  ixpk= 5218, nxpk= 25, iat=  87,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  79,  80,
 &end
#
#    6 TYR  HN            5 ASP  HB-         4.50    (#   5219:25  Unique         2.87, 3.53 A)
 &rst
  ixpk= 5219, nxpk= 25, iat=  87,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  79,  80,
 &end
#
#   96 PRO  HD+          95 GLU  HA          2.80    (#   5220:25  Unique         2.06, 2.47 A)
 &rst
  ixpk= 5220, nxpk= 25, iat=  -1,1449, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1463,1464,
 &end
#
#   96 PRO  HD-          95 GLU  HA          2.80    (#   5221:25  Unique         2.06, 2.47 A)
 &rst
  ixpk= 5221, nxpk= 25, iat=  -1,1449, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1463,1464,
 &end
#
#   95 GLU  HG+          95 GLU  HA          3.50    (#   5223:25  Unique         2.44, 3.61 A)
 &rst
  ixpk= 5223, nxpk= 25, iat=  -1,1449, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1454,1455,
 &end
#
#    0 AMB  25-2:5224    95 GLU  HA          3.50    (#   5224:25  Single Ambig)
 &rst
  ixpk= 5224, nxpk= 25, iat=  -1,1449, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1451,1452,1451,1452,
 &end
#
#   96 PRO  HG+          95 GLU  HA          5.50    (#   5225:25  Unique         4.11, 4.58 A)
 &rst
  ixpk= 5225, nxpk= 25, iat=  -1,1449, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1466,1467,
 &end
#
#   58 ILE  HN           57 TYR  HB-         4.50    (#   5229:25  Unique         2.84, 4.07 A)
 &rst
  ixpk= 5229, nxpk= 25, iat= 909,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 892, 893,
 &end
#
#   54 GLY  HN           53 ASN  HB+         4.50    (#   5231:25  Unique         2.54, 3.83 A)
 &rst
  ixpk= 5231, nxpk= 25, iat= 846,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 836, 837,
 &end
#
#   54 GLY  HN           53 ASN  HB-         4.50    (#   5232:25  Unique         2.54, 3.83 A)
 &rst
  ixpk= 5232, nxpk= 25, iat= 846,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 836, 837,
 &end
#
#  128 LEU  HN          127 ILE  HG1+        5.50    (#   5233:25  Unique         5.02, 5.17 A)
 &rst
  ixpk= 5233, nxpk= 25, iat=1933,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1924,1925,
 &end
#
#   46 ILE  HN           46 ILE  HG1+        4.50    (#   5234:25  Unique         2.01, 2.78 A)
 &rst
  ixpk= 5234, nxpk= 25, iat= 721,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 731, 732,
 &end
#
#   67 HIS  HN           46 ILE  HG1+        5.50    (#   5235:25  Unique         4.01, 5.12 A)
 &rst
  ixpk= 5235, nxpk= 25, iat=1035,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 731, 732,
 &end
#
#   46 ILE  HA           46 ILE  HG1+        4.50    (#   5237:25  Unique         2.49, 2.83 A)
 &rst
  ixpk= 5237, nxpk= 25, iat= 723,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 731, 732,
 &end
#
#   43 ILE  HA           46 ILE  HG1+        5.50    (#   5238:25  Unique         2.70, 4.05 A)
 &rst
  ixpk= 5238, nxpk= 25, iat= 677,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 731, 732,
 &end
#
#   46 ILE  QD1          46 ILE  HG1+        3.50    (#   5240:25  Unique         2.35, 2.65 A)
 &rst
  ixpk= 5240, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 734, 735, 736,
 igr2= 731, 732,
 &end
#
#   46 ILE  QG2          46 ILE  HG1+        3.50    (#   5243:25  Unique         2.36, 3.52 A)
 &rst
  ixpk= 5243, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 727, 728, 729,
 igr2= 731, 732,
 &end
#
#   68 ALA  MB           46 ILE  HG1+        3.50    (#   5244:25  Unique         2.17, 3.32 A)
 &rst
  ixpk= 5244, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1056,1057,1058,
 igr2= 731, 732,
 &end
#
#   45 ALA  MB           46 ILE  HG1+        5.50    (#   5246:25  Unique         2.79, 4.76 A)
 &rst
  ixpk= 5246, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 715, 716, 717,
 igr2= 731, 732,
 &end
#
#   50 THR  MG2          55 PRO  HD-         4.50    (#   5247:25  Unique         2.00, 5.24 A)
 &rst
  ixpk= 5247, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 791, 792, 793,
 igr2= 854, 855,
 &end
#
#   50 THR  MG2          55 PRO  HD+         4.50    (#   5248:25  Unique         2.00, 5.24 A)
 &rst
  ixpk= 5248, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 791, 792, 793,
 igr2= 854, 855,
 &end
#
#   55 PRO  HB+          55 PRO  HD-         4.50    (#   5250:25  Unique         2.56, 3.70 A)
 &rst
  ixpk= 5250, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 860, 861,
 igr2= 854, 855,
 &end
#
#    0 AMB  25-2:5251    55 PRO  HD-         5.50    (#   5251:25  Single Ambig)
 &rst
  ixpk= 5251, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1486,1487,1407,1408,
 igr2= 854, 855,
 &end
#
#   55 PRO  HG-          55 PRO  HD-         3.50    (#   5252:25  Unique         2.26, 2.60 A)
 &rst
  ixpk= 5252, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 857, 858,
 igr2= 854, 855,
 &end
#
#   55 PRO  HG+          55 PRO  HD-         3.50    (#   5253:25  Unique         2.26, 2.60 A)
 &rst
  ixpk= 5253, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 857, 858,
 igr2= 854, 855,
 &end
#
#    0 AMB  25-2:5254     0 AMB  25-1:5254   4.50    (#   5254:25  Double Ambig)
 &rst
  ixpk= 5254, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1=1384,1385,1401,1402,
 igr2= 854, 855, 854, 855,
 &end
#
#   91 PRO  HD+          55 PRO  HD-         4.50    (#   5255:25  Unique         2.34, 5.20 A)
 &rst
  ixpk= 5255, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1401,1402,
 igr2= 854, 855,
 &end
#
#   54 GLY  HA-          55 PRO  HD-         2.80    (#   5257:25  Unique         2.02, 2.81 A)
 &rst
  ixpk= 5257, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 848, 849,
 igr2= 854, 855,
 &end
#
#   54 GLY  HA+          55 PRO  HD-         3.50    (#   5258:25  Unique         2.02, 2.81 A)
 &rst
  ixpk= 5258, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 848, 849,
 igr2= 854, 855,
 &end
#
#   93 ASN  HD2+         55 PRO  HD-         5.50    (#   5259:25  Unique         2.80, 5.45 A)
 &rst
  ixpk= 5259, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1430,1431,
 igr2= 854, 855,
 &end
#
#   54 GLY  HN           55 PRO  HD-         5.50    (#   5260:25  Unique         4.50, 4.89 A)
 &rst
  ixpk= 5260, nxpk= 25, iat= 846,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 854, 855,
 &end
#
#   38 ILE  HG1-         33 LEU  MDX         4.50    (#   5262:25  Unique         2.31, 4.87 A)
 &rst
  ixpk= 5262, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 605, 606,
 igr2= 516, 517, 518, 520, 521, 522,
 &end
#
#   33 LEU  HB+          33 LEU  MDX         2.80    (#   5263:25  Unique         2.35, 3.42 A)
 &rst
  ixpk= 5263, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 511, 512,
 igr2= 516, 517, 518, 520, 521, 522,
 &end
#
#    0 AMB  25-2:5265    33 LEU  MDX         2.80    (#   5265:25  Single Ambig)
 &rst
  ixpk= 5265, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1= 632, 633, 511, 512,
 igr2= 516, 517, 518, 520, 521, 522,
 &end
#
#   40 GLU  HG+          33 LEU  MDX         3.50    (#   5266:25  Unique         2.19, 3.62 A)
 &rst
  ixpk= 5266, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 632, 633,
 igr2= 516, 517, 518, 520, 521, 522,
 &end
#
#   40 GLU  HA           33 LEU  MDX         3.50    (#   5267:25  Unique         2.48, 4.09 A)
 &rst
  ixpk= 5267, nxpk= 25, iat= 627,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 516, 517, 518, 520, 521, 522,
 &end
#
#   33 LEU  HA           33 LEU  MDX         2.80    (#   5268:25  Unique         2.12, 3.71 A)
 &rst
  ixpk= 5268, nxpk= 25, iat= 509,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 516, 517, 518, 520, 521, 522,
 &end
#
#   30 VAL  HA           33 LEU  MDX         5.50    (#   5270:25  Unique         3.12, 5.11 A)
 &rst
  ixpk= 5270, nxpk= 25, iat= 463,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 516, 517, 518, 520, 521, 522,
 &end
#
#   38 ILE  HG1+         33 LEU  MDX         3.50    (#   5273:25  Unique         2.31, 4.87 A)
 &rst
  ixpk= 5273, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 605, 606,
 igr2= 516, 517, 518, 520, 521, 522,
 &end
#
#   33 LEU  HA           33 LEU  HB+         3.50    (#   5275:25  Unique         2.48, 2.77 A)
 &rst
  ixpk= 5275, nxpk= 25, iat= 509,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 511, 512,
 &end
#
#    0 AMB  25-2:5276    33 LEU  HB-         5.50    (#   5276:25  Single Ambig)
 &rst
  ixpk= 5276, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 528, 562,
 igr2= 511, 512,
 &end
#
#   32 LEU  HA           32 LEU  HB+         4.50    (#   5277:25  Unique         2.47, 2.79 A)
 &rst
  ixpk= 5277, nxpk= 25, iat= 490,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 492, 493,
 &end
#
#   29 MET  HA           32 LEU  HB+         5.50    (#   5278:25  Unique         3.34, 4.32 A)
 &rst
  ixpk= 5278, nxpk= 25, iat= 446,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 492, 493,
 &end
#
#   32 LEU  HN           32 LEU  HG          3.50    (#   5279:25  Unique         2.20, 2.52 A)
 &rst
  ixpk= 5279, nxpk= 25, iat= 488, 495, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:5283    14 VAL  MGX         4.50    (#   5283:25  Single Ambig)
 &rst
  ixpk= 5283, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1273, 229,
 igr2= 215, 216, 217, 219, 220, 221,
 &end
#
#   83 LEU  HB-          14 VAL  MGX         4.50    (#   5284:25  Unique         2.29, 4.18 A)
 &rst
  ixpk= 5284, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1270,1271,
 igr2= 215, 216, 217, 219, 220, 221,
 &end
#
#    0 AMB  25-2:5285    14 VAL  MGX         2.80    (#   5285:25  Single Ambig)
 &rst
  ixpk= 5285, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1270,1271, 213,
 igr2= 215, 216, 217, 219, 220, 221,
 &end
#
#    0 AMB  25-2:5286    14 VAL  MGX         4.50    (#   5286:25  Single Ambig)
 &rst
  ixpk= 5286, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1=1311,1312,2072,2073,
 igr2= 215, 216, 217, 219, 220, 221,
 &end
#
#   85 GLU  HG+          14 VAL  MGX         4.50    (#   5287:25  Unique         2.62, 5.34 A)
 &rst
  ixpk= 5287, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1311,1312,
 igr2= 215, 216, 217, 219, 220, 221,
 &end
#
#    0 AMB  25-2:5288    14 VAL  MGX         4.50    (#   5288:25  Single Ambig)
 &rst
  ixpk= 5288, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 227, 246,
 igr2= 215, 216, 217, 219, 220, 221,
 &end
#
#  135 SER  HA           14 VAL  MGX         4.50    (#   5289:25  Unique         2.67, 5.24 A)
 &rst
  ixpk= 5289, nxpk= 25, iat=2048,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 215, 216, 217, 219, 220, 221,
 &end
#
#   14 VAL  HA           14 VAL  MGX         3.50    (#   5290:25  Unique         2.47, 3.17 A)
 &rst
  ixpk= 5290, nxpk= 25, iat= 211,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 215, 216, 217, 219, 220, 221,
 &end
#
#    0 AMB  25-2:5291    14 VAL  MGX         4.50    (#   5291:25  Single Ambig)
 &rst
  ixpk= 5291, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=1287,1268,1254,
 igr2= 215, 216, 217, 219, 220, 221,
 &end
#
#   14 VAL  HN           14 VAL  MGX         4.50    (#   5292:25  Unique         2.25, 4.15 A)
 &rst
  ixpk= 5292, nxpk= 25, iat= 209,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 215, 216, 217, 219, 220, 221,
 &end
#
#   83 LEU  HN           14 VAL  MGX         4.50    (#   5293:25  Unique         3.80, 5.26 A)
 &rst
  ixpk= 5293, nxpk= 25, iat=1266,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 215, 216, 217, 219, 220, 221,
 &end
#
#   15 ILE  HN           14 VAL  MGX         3.50    (#   5294:25  Unique         2.65, 4.21 A)
 &rst
  ixpk= 5294, nxpk= 25, iat= 225,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 215, 216, 217, 219, 220, 221,
 &end
#
#  144 ILE  QD1          81 LEU  MDX         3.50    (#   5295:25  Unique         2.07, 4.25 A)
 &rst
  ixpk= 5295, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=2195,2196,2197,
 igr2=1242,1243,1244,1246,1247,1248,
 &end
#
#   33 LEU  HN           33 LEU  MDX         4.50    (#   5297:25  Unique         4.47, 5.11 A)
 &rst
  ixpk= 5297, nxpk= 25, iat= 507,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 516, 517, 518, 520, 521, 522,
 &end
#
#   40 GLU  HN           33 LEU  MDX         2.80    (#   5298:25  Unique         3.02, 4.68 A)
 &rst
  ixpk= 5298, nxpk= 25, iat= 625,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 516, 517, 518, 520, 521, 522,
 &end
#
#   98 LYS  HN           99 LEU  HB+         5.50    (#   5299:25  Unique         4.51, 5.22 A)
 &rst
  ixpk= 5299, nxpk= 25, iat=1495,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1521,1522,
 &end
#
#   77 THR  HN           76 LYS  HG+         5.50    (#   5301:25  Unique         4.21, 4.76 A)
 &rst
  ixpk= 5301, nxpk= 25, iat=1184,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1169,1170,
 &end
#
#   77 THR  HN           76 LYS  HG-         5.50    (#   5302:25  Unique         4.21, 4.76 A)
 &rst
  ixpk= 5302, nxpk= 25, iat=1184,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1169,1170,
 &end
#
#   76 LYS  HN           76 LYS  HG-         5.50    (#   5303:25  Unique         3.01, 3.68 A)
 &rst
  ixpk= 5303, nxpk= 25, iat=1162,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1169,1170,
 &end
#
#    0 AMB  25-2:5304     0 AMB  25-1:5304   4.50    (#   5304:25  Double Ambig)
 &rst
  ixpk= 5304, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1162, 614,
 igr2=1169,1170, 605, 606,
 &end
#
#    0 AMB  25-2:5305     0 AMB  25-1:5305   5.50    (#   5305:25  Double Ambig)
 &rst
  ixpk= 5305, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 507,1143,
 igr2= 605, 606,1169,1170,
 &end
#
#    0 AMB  25-2:5306    76 LYS  HG-         5.50    (#   5306:25  Single Ambig)
 &rst
  ixpk= 5306, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 569, 570, 582, 591,
 igr2=1169,1170,
 &end
#
#  121 LEU  HN          121 LEU  HG          2.80    (#   5307:25  Unique         2.60, 2.68 A)
 &rst
  ixpk= 5307, nxpk= 25, iat=1820,1827, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  144 ILE  QD1           3 LEU  MDX         4.50    (#   5308:25  Unique         2.08, 5.70 A)
 &rst
  ixpk= 5308, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=2195,2196,2197,
 igr2=  54,  55,  56,  58,  59,  60,
 &end
#
#  144 ILE  QG2           3 LEU  MDX         4.50    (#   5309:25  Unique         4.07, 6.56 A)
 &rst
  ixpk= 5309, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=2188,2189,2190,
 igr2=  54,  55,  56,  58,  59,  60,
 &end
#
#    3 LEU  HB+           3 LEU  MDX         2.80    (#   5311:25  Unique         2.32, 3.53 A)
 &rst
  ixpk= 5311, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=  49,  50,
 igr2=  54,  55,  56,  58,  59,  60,
 &end
#
#    6 TYR  HB-           3 LEU  MDX         4.50    (#   5312:25  Unique         3.98, 6.73 A)
 &rst
  ixpk= 5312, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=  91,  92,
 igr2=  54,  55,  56,  58,  59,  60,
 &end
#
#  147 GLY  HA-           3 LEU  MDX         4.50    (#   5313:25  Unique         2.13, 4.93 A)
 &rst
  ixpk= 5313, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=2238,2239,
 igr2=  54,  55,  56,  58,  59,  60,
 &end
#
#  118 LEU  HA            3 LEU  MDX         3.50    (#   5314:25  Unique         2.12, 3.98 A)
 &rst
  ixpk= 5314, nxpk= 25, iat=1777,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=  54,  55,  56,  58,  59,  60,
 &end
#
#    3 LEU  HA            3 LEU  MDX         2.80    (#   5315:25  Unique         2.21, 3.25 A)
 &rst
  ixpk= 5315, nxpk= 25, iat=  47,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=  54,  55,  56,  58,  59,  60,
 &end
#
#    6 TYR  HD            3 LEU  MDX         3.50    (#   5319:25  Unique         3.28, 6.95 A)
 &rst
  ixpk= 5319, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=  95, 104,
 igr2=  54,  55,  56,  58,  59,  60,
 &end
#
#  118 LEU  HN            3 LEU  MDX         4.50    (#   5321:25  Unique         3.57, 5.07 A)
 &rst
  ixpk= 5321, nxpk= 25, iat=1775,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=  54,  55,  56,  58,  59,  60,
 &end
#
#    0 AMB  25-2:5322     3 LEU  MDX         5.50    (#   5322:25  Single Ambig)
 &rst
  ixpk= 5322, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=2236,1765,
 igr2=  54,  55,  56,  58,  59,  60,
 &end
#
#    3 LEU  HN            3 LEU  MDX         4.50    (#   5323:25  Unique         2.05, 3.90 A)
 &rst
  ixpk= 5323, nxpk= 25, iat=  45,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=  54,  55,  56,  58,  59,  60,
 &end
#
#  144 ILE  QG2           4 SER  HB-         4.50    (#   5325:25  Unique         2.26, 4.19 A)
 &rst
  ixpk= 5325, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=2188,2189,2190,
 igr2=  68,  69,
 &end
#
#    0 AMB  25-2:5326     0 AMB  25-1:5326   2.80    (#   5326:25  Double Ambig)
 &rst
  ixpk= 5326, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 545, 546, 548, 549,
 igr2= 542, 543, 542, 543,
 &end
#
#    0 AMB  25-2:5333   100 LEU  MDY         3.50    (#   5333:25  Single Ambig)
 &rst
  ixpk= 5333, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1519,1538,
 igr2=1545,1546,1547,1549,1550,1551,
 &end
#
#    0 AMB  25-2:5334   100 LEU  MDY         2.80    (#   5334:25  Single Ambig)
 &rst
  ixpk= 5334, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 437, 438,1256,
 igr2=1545,1546,1547,1549,1550,1551,
 &end
#
#   25 ILE  HA          100 LEU  MDY         4.50    (#   5335:25  Unique         3.62, 5.93 A)
 &rst
  ixpk= 5335, nxpk= 25, iat= 384,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1545,1546,1547,1549,1550,1551,
 &end
#
#   66 PRO  HD+         100 LEU  MDY         4.50    (#   5336:25  Unique         2.16, 5.22 A)
 &rst
  ixpk= 5336, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1022,1023,
 igr2=1545,1546,1547,1549,1550,1551,
 &end
#
#   66 PRO  HD-         100 LEU  MDY         5.50    (#   5338:25  Unique         2.16, 5.22 A)
 &rst
  ixpk= 5338, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1022,1023,
 igr2=1545,1546,1547,1549,1550,1551,
 &end
#
#    0 AMB  25-2:5339   100 LEU  MDY         5.50    (#   5339:25  Single Ambig)
 &rst
  ixpk= 5339, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 382,1574,
 igr2=1545,1546,1547,1549,1550,1551,
 &end
#
#  101 ILE  HN          100 LEU  MDY         5.50    (#   5340:25  Unique         4.20, 5.92 A)
 &rst
  ixpk= 5340, nxpk= 25, iat=1555,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1545,1546,1547,1549,1550,1551,
 &end
#
#    0 AMB  25-2:5341    15 ILE  HG1-        5.50    (#   5341:25  Single Ambig)
 &rst
  ixpk= 5341, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 211, 200,
 igr2= 235, 236,
 &end
#
#   27 PHE  HN           25 ILE  HA          5.50    (#   5353:25  Unique         4.42, 4.62 A)
 &rst
  ixpk= 5353, nxpk= 25, iat= 413, 384, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   27 PHE  HN           26 ASP  HA          4.50    (#   5354:25  Unique         3.59, 3.60 A)
 &rst
  ixpk= 5354, nxpk= 25, iat= 413, 403, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   32 LEU  HN           30 VAL  HA          5.50    (#   5355:25  Unique         3.84, 4.04 A)
 &rst
  ixpk= 5355, nxpk= 25, iat= 488, 463, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   34 ASP  HN           32 LEU  HA          5.50    (#   5359:25  Unique         4.21, 4.46 A)
 &rst
  ixpk= 5359, nxpk= 25, iat= 526, 490, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   34 ASP  HN           33 LEU  HA          5.50    (#   5360:25  Unique         3.52, 3.55 A)
 &rst
  ixpk= 5360, nxpk= 25, iat= 526, 509, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   69 ARG  HA           69 ARG  HB-         2.80    (#   5361:25  Unique         2.50, 2.81 A)
 &rst
  ixpk= 5361, nxpk= 25, iat=1064,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1066,1067,
 &end
#
#   69 ARG  HD+          69 ARG  HB-         3.50    (#   5363:25  Unique         2.28, 3.18 A)
 &rst
  ixpk= 5363, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1072,1073,
 igr2=1066,1067,
 &end
#
#   75 LEU  MDX          39 SER  HB+         4.50    (#   5365:25  Unique         2.46, 5.30 A)
 &rst
  ixpk= 5365, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1152,1153,1154,1156,1157,1158,
 igr2= 618, 619,
 &end
#
#   43 ILE  QD1          40 GLU  HG+         3.50    (#   5366:25  Unique         3.13, 5.00 A)
 &rst
  ixpk= 5366, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 688, 689, 690,
 igr2= 632, 633,
 &end
#
#   39 SER  HB+          41 ASN  HB+         5.50    (#   5367:25  Unique         2.80, 4.45 A)
 &rst
  ixpk= 5367, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 618, 619,
 igr2= 644, 645,
 &end
#
#    0 AMB  25-2:5371    65 MET  HB-         5.50    (#   5371:25  Single Ambig)
 &rst
  ixpk= 5371, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1022,1023,1576,1577,
 igr2=1008,1009,
 &end
#
#    1 MET  HN            1 MET  HG+         4.50    (#   5373:25  Unique         2.87, 5.93 A)
 &rst
  ixpk= 5373, nxpk= 25, iat=   2,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  11,  12,
 &end
#
#    2 ARG  HN            1 MET  HG+         4.50    (#   5374:25  Unique         2.04, 3.23 A)
 &rst
  ixpk= 5374, nxpk= 25, iat=  21,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  11,  12,
 &end
#
#  100 LEU  MDY          66 PRO  HB-         5.50    (#   5375:25  Unique         3.89, 6.68 A)
 &rst
  ixpk= 5375, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1545,1546,1547,1549,1550,1551,
 igr2=1028,1029,
 &end
#
#   67 HIS  HN           67 HIS  HB+         5.50    (#   5381:25  Unique         2.35, 2.99 A)
 &rst
  ixpk= 5381, nxpk= 25, iat=1035,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1039,1040,
 &end
#
#   67 HIS  HN           67 HIS  HB-         5.50    (#   5382:25  Unique         2.35, 2.99 A)
 &rst
  ixpk= 5382, nxpk= 25, iat=1035,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1039,1040,
 &end
#
#   71 GLU  HN           69 ARG  HB-         4.50    (#   5383:25  Unique         2.59, 3.34 A)
 &rst
  ixpk= 5383, nxpk= 25, iat=1100,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1066,1067,
 &end
#
#   71 GLU  HN           69 ARG  HB+         4.50    (#   5384:25  Unique         2.59, 3.34 A)
 &rst
  ixpk= 5384, nxpk= 25, iat=1100,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1066,1067,
 &end
#
#    0 AMB  25-2:5385     0 AMB  25-1:5385   5.50    (#   5385:25  Double Ambig)
 &rst
  ixpk= 5385, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1621,1126,
 igr2=1093,1094,1093,1094,
 &end
#
#   74 ALA  HN           70 PRO  HB+         5.50    (#   5386:25  Unique         4.72, 5.08 A)
 &rst
  ixpk= 5386, nxpk= 25, iat=1133,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1093,1094,
 &end
#
#   70 PRO  HB+          74 ALA  MB          4.50    (#   5389:25  Unique         2.97, 4.60 A)
 &rst
  ixpk= 5389, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1093,1094,
 igr2=1137,1138,1139,
 &end
#
#   17 SER  HA           86 GLN  HB-         4.50    (#   5390:25  Unique         2.75, 3.92 A)
 &rst
  ixpk= 5390, nxpk= 25, iat= 263,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1323,1324,
 &end
#
#   86 GLN  HG+          17 SER  HB+         4.50    (#   5391:25  Unique         3.25, 5.32 A)
 &rst
  ixpk= 5391, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1326,1327,
 igr2= 265, 266,
 &end
#
#   59 LEU  HN           59 LEU  MDX         4.50    (#   5393:25  Unique         2.63, 4.22 A)
 &rst
  ixpk= 5393, nxpk= 25, iat= 928,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 937, 938, 939, 941, 942, 943,
 &end
#
#  124 GLU  HA          124 GLU  HG-         3.50    (#   5411:25  Unique         2.54, 3.30 A)
 &rst
  ixpk= 5411, nxpk= 25, iat=1871,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1876,1877,
 &end
#
#  101 ILE  HN           65 MET  HB-         5.50    (#   5417:25  Unique         3.28, 4.27 A)
 &rst
  ixpk= 5417, nxpk= 25, iat=1555,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1008,1009,
 &end
#
#  103 LEU  MDY          67 HIS  HB-         5.50    (#   5429:25  Unique         3.95, 5.50 A)
 &rst
  ixpk= 5429, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1590,1591,1592,1594,1595,1596,
 igr2=1039,1040,
 &end
#
#   46 ILE  HG1+         68 ALA  HA          5.50    (#   5430:25  Unique         3.32, 4.13 A)
 &rst
  ixpk= 5430, nxpk= 25, iat=  -1,1054, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 731, 732,
 &end
#
#    0 AMB  25-2:5431     0 AMB  25-1:5431   4.50    (#   5431:25  Double Ambig)
 &rst
  ixpk= 5431, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1115, 209,
 igr2=1056,1057,1058,1258,1259,1260,
 &end
#
#   74 ALA  MB           70 PRO  HB-         4.50    (#   5433:25  Unique         2.97, 4.60 A)
 &rst
  ixpk= 5433, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1137,1138,1139,
 igr2=1093,1094,
 &end
#
#  145 SER  HB+         145 SER  HA          2.80    (#   5434:25  Unique         2.46, 2.76 A)
 &rst
  ixpk= 5434, nxpk= 25, iat=  -1,2203, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=2205,2206,
 &end
#
#    3 LEU  MDX           3 LEU  HB+         4.50    (#   5435:25  Unique         2.32, 3.53 A)
 &rst
  ixpk= 5435, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=  54,  55,  56,  58,  59,  60,
 igr2=  49,  50,
 &end
#
#   78 GLY  HA+           6 TYR  HB-         4.50    (#   5436:25  Unique         2.45, 4.29 A)
 &rst
  ixpk= 5436, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1200,1201,
 igr2=  91,  92,
 &end
#
#    0 AMB  25-2:5437     0 AMB  25-1:5437   4.50    (#   5437:25  Double Ambig)
 &rst
  ixpk= 5437, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 364, 365, 361, 362,
 igr2= 405, 406, 405, 406,
 &end
#
#   18 ALA  HA           23 GLU  HB+         5.50    (#   5438:25  Unique         3.94, 4.88 A)
 &rst
  ixpk= 5438, nxpk= 25, iat= 274,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 361, 362,
 &end
#
#   19 LYS  HE+          23 GLU  HB+         4.50    (#   5439:25  Unique         2.15, 6.33 A)
 &rst
  ixpk= 5439, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 295, 296,
 igr2= 361, 362,
 &end
#
#   18 ALA  MB           23 GLU  HB+         2.80    (#   5440:25  Unique         2.27, 4.29 A)
 &rst
  ixpk= 5440, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 276, 277, 278,
 igr2= 361, 362,
 &end
#
#  128 LEU  HN          127 ILE  QD1         5.50    (#   5442:25  Unique         4.58, 5.28 A)
 &rst
  ixpk= 5442, nxpk= 25, iat=1933,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1927,1928,1929,
 &end
#
#  130 GLN  HN          127 ILE  QD1         5.50    (#   5443:25  Unique         5.41, 6.45 A)
 &rst
  ixpk= 5443, nxpk= 25, iat=1967,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1927,1928,1929,
 &end
#
#  130 GLN  HE2+        127 ILE  QD1         5.50    (#   5444:25  Unique         2.40, 4.06 A)
 &rst
  ixpk= 5444, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1979,1980,
 igr2=1927,1928,1929,
 &end
#
#  130 GLN  HE2-        127 ILE  QD1         5.50    (#   5445:25  Unique         2.40, 4.06 A)
 &rst
  ixpk= 5445, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1979,1980,
 igr2=1927,1928,1929,
 &end
#
#  121 LEU  HA          127 ILE  QD1         4.50    (#   5446:25  Unique         4.09, 4.93 A)
 &rst
  ixpk= 5446, nxpk= 25, iat=1822,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1927,1928,1929,
 &end
#
#  126 GLU  HA          127 ILE  QD1         5.50    (#   5447:25  Unique         4.68, 5.51 A)
 &rst
  ixpk= 5447, nxpk= 25, iat=1901,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1927,1928,1929,
 &end
#
#  130 GLN  HG+         127 ILE  QD1         5.50    (#   5449:25  Unique         5.01, 6.83 A)
 &rst
  ixpk= 5449, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1974,1975,
 igr2=1927,1928,1929,
 &end
#
#   46 ILE  HG1+         66 PRO  HA          5.50    (#   5451:25  Unique         4.78, 6.03 A)
 &rst
  ixpk= 5451, nxpk= 25, iat=  -1,1031, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 731, 732,
 &end
#
#    5 ASP  HN            2 ARG  HA          5.50    (#   5455:25  Unique         4.32, 4.65 A)
 &rst
  ixpk= 5455, nxpk= 25, iat=  75,  23, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    1 MET  HA            2 ARG  HB+         5.50    (#   5457:25  Unique         4.49, 5.26 A)
 &rst
  ixpk= 5457, nxpk= 25, iat=   6,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  25,  26,
 &end
#
#    1 MET  HA            2 ARG  HB-         4.50    (#   5458:25  Unique         4.49, 5.26 A)
 &rst
  ixpk= 5458, nxpk= 25, iat=   6,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  25,  26,
 &end
#
#   60 ALA  MB           61 PRO  HB-         5.50    (#   5461:25  Unique         4.39, 6.13 A)
 &rst
  ixpk= 5461, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 951, 952, 953,
 igr2= 964, 965,
 &end
#
#   61 PRO  HD-          61 PRO  HB-         3.50    (#   5462:25  Unique         2.80, 3.68 A)
 &rst
  ixpk= 5462, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 958, 959,
 igr2= 964, 965,
 &end
#
#   61 PRO  HD+          61 PRO  HB-         4.50    (#   5463:25  Unique         2.80, 3.68 A)
 &rst
  ixpk= 5463, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 958, 959,
 igr2= 964, 965,
 &end
#
#   62 GLY  HA+          61 PRO  HB-         4.50    (#   5464:25  Unique         4.45, 5.23 A)
 &rst
  ixpk= 5464, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 973, 974,
 igr2= 964, 965,
 &end
#
#   62 GLY  HN           61 PRO  HB-         4.50    (#   5465:25  Unique         3.58, 3.96 A)
 &rst
  ixpk= 5465, nxpk= 25, iat= 971,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 964, 965,
 &end
#
#   71 GLU  HN           69 ARG  HD+         5.50    (#   5466:25  Unique         4.05, 5.57 A)
 &rst
  ixpk= 5466, nxpk= 25, iat=1100,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1072,1073,
 &end
#
#   71 GLU  HN           69 ARG  HD-         5.50    (#   5467:25  Unique         4.05, 5.57 A)
 &rst
  ixpk= 5467, nxpk= 25, iat=1100,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1072,1073,
 &end
#
#   69 ARG  HN           69 ARG  HD+         5.50    (#   5468:25  Unique         2.88, 4.47 A)
 &rst
  ixpk= 5468, nxpk= 25, iat=1062,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1072,1073,
 &end
#
#   69 ARG  HN           69 ARG  HD-         4.50    (#   5469:25  Unique         2.88, 4.47 A)
 &rst
  ixpk= 5469, nxpk= 25, iat=1062,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1072,1073,
 &end
#
#   69 ARG  HB-          69 ARG  HD+         3.50    (#   5470:25  Unique         2.28, 3.18 A)
 &rst
  ixpk= 5470, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1066,1067,
 igr2=1072,1073,
 &end
#
#   69 ARG  HB-          69 ARG  HD-         3.50    (#   5471:25  Unique         2.28, 3.18 A)
 &rst
  ixpk= 5471, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1066,1067,
 igr2=1072,1073,
 &end
#
#    1 MET  HA            2 ARG  HD+         4.50    (#   5472:25  Unique         3.51, 4.22 A)
 &rst
  ixpk= 5472, nxpk= 25, iat=   6,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  31,  32,
 &end
#
#  110 SER  HN          107 ASP  HB-         5.50    (#   5474:25  Unique         2.70, 3.60 A)
 &rst
  ixpk= 5474, nxpk= 25, iat=1665,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1635,1636,
 &end
#
#   35 LYS  HN           35 LYS  HE+         5.50    (#   5475:25  Unique         3.68, 4.85 A)
 &rst
  ixpk= 5475, nxpk= 25, iat= 538,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 551, 552,
 &end
#
#   31 SER  HB+          35 LYS  HE+         4.50    (#   5478:25  Unique         3.36, 5.17 A)
 &rst
  ixpk= 5478, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 481, 482,
 igr2= 551, 552,
 &end
#
#   21 TRP  HA           20 ASP  HB+         5.50    (#   5479:25  Unique         4.66, 5.35 A)
 &rst
  ixpk= 5479, nxpk= 25, iat= 318,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 308, 309,
 &end
#
#    0 AMB  25-2:5480     0 AMB  25-1:5480   5.50    (#   5480:25  Double Ambig)
 &rst
  ixpk= 5480, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1= 289, 290, 320, 321,
 igr2= 308, 309, 308, 309,
 &end
#
#   88 VAL  MGY          20 ASP  HB+         5.50    (#   5481:25  Unique         4.29, 6.67 A)
 &rst
  ixpk= 5481, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1349,1350,1351,1353,1354,1355,
 igr2= 308, 309,
 &end
#
#    5 ASP  HN            3 LEU  HA          5.50    (#   5484:25  Unique         3.35, 3.84 A)
 &rst
  ixpk= 5484, nxpk= 25, iat=  75,  47, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    6 TYR  HN            3 LEU  HA          5.50    (#   5485:25  Unique         3.45, 3.85 A)
 &rst
  ixpk= 5485, nxpk= 25, iat=  87,  47, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    4 SER  HN            3 LEU  HA          4.50    (#   5486:25  Unique         3.49, 3.57 A)
 &rst
  ixpk= 5486, nxpk= 25, iat=  64,  47, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:5487     0 AMB  25-1:5487   5.50    (#   5487:25  Double Ambig)
 &rst
  ixpk= 5487, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=  66,1777,
 igr2=  49,  50,  49,  50,
 &end
#
#  147 GLY  HN            3 LEU  HB+         5.50    (#   5488:25  Unique         3.12, 4.37 A)
 &rst
  ixpk= 5488, nxpk= 25, iat=2236,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  49,  50,
 &end
#
#    0 AMB  25-2:5490     4 SER  HA          5.50    (#   5490:25  Single Ambig)
 &rst
  ixpk= 5490, nxpk= 25, iat=  -1,  66, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=  49,  50,  25,  26,
 &end
#
#    4 SER  HA            7 PHE  HB+         5.50    (#   5495:25  Unique         2.12, 3.69 A)
 &rst
  ixpk= 5495, nxpk= 25, iat=  66,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 112, 113,
 &end
#
#   12 ILE  HG1-          7 PHE  HB+         5.50    (#   5496:25  Unique         4.26, 6.27 A)
 &rst
  ixpk= 5496, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 189, 190,
 igr2= 112, 113,
 &end
#
#    8 PRO  HA            8 PRO  HD-         4.50    (#   5499:25  Unique         3.28, 3.80 A)
 &rst
  ixpk= 5499, nxpk= 25, iat= 138,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 129, 130,
 &end
#
#  144 ILE  HN           12 ILE  QD1         5.50    (#   5502:25  Unique         4.49, 5.48 A)
 &rst
  ixpk= 5502, nxpk= 25, iat=2182,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 192, 193, 194,
 &end
#
#    0 AMB  25-2:5505    12 ILE  QD1         5.50    (#   5505:25  Single Ambig)
 &rst
  ixpk= 5505, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=2085,  66,
 igr2= 192, 193, 194,
 &end
#
#    9 GLU  HA           12 ILE  QD1         5.50    (#   5506:25  Unique         4.87, 6.86 A)
 &rst
  ixpk= 5506, nxpk= 25, iat= 144,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 192, 193, 194,
 &end
#
#    0 AMB  25-2:5507    12 ILE  QD1         5.50    (#   5507:25  Single Ambig)
 &rst
  ixpk= 5507, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 159,2153,
 igr2= 192, 193, 194,
 &end
#
#  137 GLU  HG+          12 ILE  QD1         5.50    (#   5508:25  Unique         3.93, 7.09 A)
 &rst
  ixpk= 5508, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=2075,2076,
 igr2= 192, 193, 194,
 &end
#
#   81 LEU  HB+          12 ILE  QD1         3.50    (#   5509:25  Unique         2.68, 4.31 A)
 &rst
  ixpk= 5509, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1237,1238,
 igr2= 192, 193, 194,
 &end
#
#    0 AMB  25-2:5512    15 ILE  QG2         5.50    (#   5512:25  Single Ambig)
 &rst
  ixpk= 5512, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 265, 266, 202, 203,
 igr2= 231, 232, 233,
 &end
#
#   14 VAL  HA           15 ILE  QG2         5.50    (#   5515:25  Unique         5.86, 6.32 A)
 &rst
  ixpk= 5515, nxpk= 25, iat= 211,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 231, 232, 233,
 &end
#
#   17 SER  HA           15 ILE  QG2         4.50    (#   5516:25  Unique         3.06, 4.06 A)
 &rst
  ixpk= 5516, nxpk= 25, iat= 263,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 231, 232, 233,
 &end
#
#   84 LEU  HA           15 ILE  QG2         5.50    (#   5517:25  Unique         2.84, 4.12 A)
 &rst
  ixpk= 5517, nxpk= 25, iat=1287,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 231, 232, 233,
 &end
#
#   85 GLU  HN           15 ILE  QG2         5.50    (#   5521:25  Unique         3.94, 5.26 A)
 &rst
  ixpk= 5521, nxpk= 25, iat=1304,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 231, 232, 233,
 &end
#
#   83 LEU  HN           15 ILE  QG2         5.50    (#   5522:25  Unique         6.37, 6.80 A)
 &rst
  ixpk= 5522, nxpk= 25, iat=1266,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 231, 232, 233,
 &end
#
#   18 ALA  HN           15 ILE  QG2         5.50    (#   5523:25  Unique         3.63, 4.56 A)
 &rst
  ixpk= 5523, nxpk= 25, iat= 272,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 231, 232, 233,
 &end
#
#   17 SER  HA           16 HIS  HB+         5.50    (#   5524:25  Unique         4.70, 5.38 A)
 &rst
  ixpk= 5524, nxpk= 25, iat= 263,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 248, 249,
 &end
#
#   21 TRP  HA           18 ALA  MB          5.50    (#   5525:25  Unique         4.00, 5.03 A)
 &rst
  ixpk= 5525, nxpk= 25, iat= 318,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 276, 277, 278,
 &end
#
#   20 ASP  HA           18 ALA  MB          5.50    (#   5526:25  Unique         3.49, 5.36 A)
 &rst
  ixpk= 5526, nxpk= 25, iat= 306,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 276, 277, 278,
 &end
#
#   21 TRP  HN           18 ALA  MB          5.50    (#   5529:25  Unique         4.94, 6.30 A)
 &rst
  ixpk= 5529, nxpk= 25, iat= 316,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 276, 277, 278,
 &end
#
#   88 VAL  HN           18 ALA  MB          5.50    (#   5530:25  Unique         4.25, 5.82 A)
 &rst
  ixpk= 5530, nxpk= 25, iat=1343,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 276, 277, 278,
 &end
#
#    0 AMB  25-2:5531    18 ALA  MB          5.50    (#   5531:25  Single Ambig)
 &rst
  ixpk= 5531, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1359, 413,
 igr2= 276, 277, 278,
 &end
#
#   27 PHE  HB+          18 ALA  MB          5.50    (#   5532:25  Unique         3.51, 5.09 A)
 &rst
  ixpk= 5532, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 417, 418,
 igr2= 276, 277, 278,
 &end
#
#   26 ASP  HB-          18 ALA  MB          5.50    (#   5533:25  Unique         5.93, 7.73 A)
 &rst
  ixpk= 5533, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 405, 406,
 igr2= 276, 277, 278,
 &end
#
#    0 AMB  25-2:5534    18 ALA  MB          5.50    (#   5534:25  Single Ambig)
 &rst
  ixpk= 5534, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1338,1339, 308, 309,
 igr2= 276, 277, 278,
 &end
#
#   15 ILE  QD1          18 ALA  MB          5.50    (#   5535:25  Unique         3.88, 6.00 A)
 &rst
  ixpk= 5535, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 238, 239, 240,
 igr2= 276, 277, 278,
 &end
#
#   91 PRO  HD+          21 TRP  HB-         4.50    (#   5551:25  Unique         2.13, 3.47 A)
 &rst
  ixpk= 5551, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1401,1402,
 igr2= 320, 321,
 &end
#
#  138 LYS  HN          138 LYS  HG-         4.50    (#   5552:25  Unique         2.14, 3.78 A)
 &rst
  ixpk= 5552, nxpk= 25, iat=2083,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=2090,2091,
 &end
#
#   20 ASP  HN           19 LYS  HG-         4.50    (#   5553:25  Unique         3.92, 4.70 A)
 &rst
  ixpk= 5553, nxpk= 25, iat= 304,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 289, 290,
 &end
#
#   47 LYS  HB-          22 GLN  HA          5.50    (#   5554:25  Unique         3.58, 4.62 A)
 &rst
  ixpk= 5554, nxpk= 25, iat=  -1, 342, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 744, 745,
 &end
#
#   44 GLN  HE2-         22 GLN  HG+         5.50    (#   5557:25  Unique         3.46, 5.15 A)
 &rst
  ixpk= 5557, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 706, 707,
 igr2= 347, 348,
 &end
#
#   44 GLN  HE2-         22 GLN  HG-         5.50    (#   5558:25  Unique         3.46, 5.15 A)
 &rst
  ixpk= 5558, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 706, 707,
 igr2= 347, 348,
 &end
#
#    0 AMB  25-2:5559     0 AMB  25-1:5559   3.50    (#   5559:25  Double Ambig)
 &rst
  ixpk= 5559, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.77, r4= 6.52,
 igr1= 276, 277, 278, 289, 290,
 igr2= 364, 365, 364, 365,
 &end
#
#    0 AMB  25-2:5563    25 ILE  HA          5.50    (#   5563:25  Single Ambig)
 &rst
  ixpk= 5563, nxpk= 25, iat=  -1, 384, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1= 342,1022,1023, 405, 406,
 &end
#
#   29 MET  HG-          25 ILE  HA          5.50    (#   5564:25  Unique         3.60, 4.29 A)
 &rst
  ixpk= 5564, nxpk= 25, iat=  -1, 384, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 451, 452,
 &end
#
#   46 ILE  HG1+         29 MET  ME          5.50    (#   5566:25  Unique         4.78, 6.33 A)
 &rst
  ixpk= 5566, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 731, 732,
 igr2= 455, 456, 457,
 &end
#
#    0 AMB  25-2:5567    29 MET  ME          5.50    (#   5567:25  Single Ambig)
 &rst
  ixpk= 5567, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=1039,1040,1226,1227,1604,1605,
 igr2= 455, 456, 457,
 &end
#
#   28 SER  HA           29 MET  ME          5.50    (#   5569:25  Unique         4.68, 5.85 A)
 &rst
  ixpk= 5569, nxpk= 25, iat= 435,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 455, 456, 457,
 &end
#
#   29 MET  HN           30 VAL  MGX         5.50    (#   5570:25  Unique         3.87, 5.83 A)
 &rst
  ixpk= 5570, nxpk= 25, iat= 444,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 467, 468, 469, 471, 472, 473,
 &end
#
#   26 ASP  HB+          30 VAL  MGX         5.50    (#   5573:25  Unique         6.21, 7.41 A)
 &rst
  ixpk= 5573, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 405, 406,
 igr2= 467, 468, 469, 471, 472, 473,
 &end
#
#   33 LEU  HB-          30 VAL  MGX         4.50    (#   5574:25  Unique         3.03, 5.62 A)
 &rst
  ixpk= 5574, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 511, 512,
 igr2= 467, 468, 469, 471, 472, 473,
 &end
#
#   34 ASP  HB+          30 VAL  MGX         5.50    (#   5575:25  Unique         2.85, 5.17 A)
 &rst
  ixpk= 5575, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 530, 531,
 igr2= 467, 468, 469, 471, 472, 473,
 &end
#
#   34 ASP  HB-          30 VAL  MGX         4.50    (#   5576:25  Unique         2.85, 5.17 A)
 &rst
  ixpk= 5576, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 530, 531,
 igr2= 467, 468, 469, 471, 472, 473,
 &end
#
#   33 LEU  HN           30 VAL  MGX         5.50    (#   5577:25  Unique         4.96, 5.94 A)
 &rst
  ixpk= 5577, nxpk= 25, iat= 507,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 467, 468, 469, 471, 472, 473,
 &end
#
#    0 AMB  25-2:5578    30 VAL  MGX         4.50    (#   5578:25  Single Ambig)
 &rst
  ixpk= 5578, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 526, 413,
 igr2= 467, 468, 469, 471, 472, 473,
 &end
#
#   29 MET  HN           30 VAL  MGY         5.50    (#   5579:25  Unique         3.87, 5.83 A)
 &rst
  ixpk= 5579, nxpk= 25, iat= 444,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 467, 468, 469, 471, 472, 473,
 &end
#
#   32 LEU  HN           30 VAL  MGY         5.50    (#   5580:25  Unique         4.99, 5.85 A)
 &rst
  ixpk= 5580, nxpk= 25, iat= 488,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 467, 468, 469, 471, 472, 473,
 &end
#
#   35 LYS  HN           30 VAL  MGY         5.50    (#   5582:25  Unique         6.47, 7.87 A)
 &rst
  ixpk= 5582, nxpk= 25, iat= 538,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 467, 468, 469, 471, 472, 473,
 &end
#
#   31 SER  HB+          30 VAL  MGY         5.50    (#   5583:25  Unique         3.89, 6.34 A)
 &rst
  ixpk= 5583, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 481, 482,
 igr2= 467, 468, 469, 471, 472, 473,
 &end
#
#   34 ASP  HB-          30 VAL  MGY         5.50    (#   5584:25  Unique         2.85, 5.17 A)
 &rst
  ixpk= 5584, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 530, 531,
 igr2= 467, 468, 469, 471, 472, 473,
 &end
#
#   34 ASP  HB+          30 VAL  MGY         5.50    (#   5585:25  Unique         2.85, 5.17 A)
 &rst
  ixpk= 5585, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 530, 531,
 igr2= 467, 468, 469, 471, 472, 473,
 &end
#
#   26 ASP  HB+          30 VAL  MGY         5.50    (#   5586:25  Unique         6.21, 7.41 A)
 &rst
  ixpk= 5586, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 405, 406,
 igr2= 467, 468, 469, 471, 472, 473,
 &end
#
#   29 MET  HB-          30 VAL  MGY         5.50    (#   5588:25  Unique         5.43, 6.98 A)
 &rst
  ixpk= 5588, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 448, 449,
 igr2= 467, 468, 469, 471, 472, 473,
 &end
#
#    6 TYR  HN            6 TYR  HA          3.50    (#   5589:25  Unique         2.92, 2.95 A)
 &rst
  ixpk= 5589, nxpk= 25, iat=  87,  89, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   79 MET  HN            6 TYR  HA          4.50    (#   5590:25  Unique         3.76, 3.97 A)
 &rst
  ixpk= 5590, nxpk= 25, iat=1205,  89, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    7 PHE  HN            6 TYR  HA          3.50    (#   5591:25  Unique         3.47, 3.53 A)
 &rst
  ixpk= 5591, nxpk= 25, iat= 108,  89, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    6 TYR  HD            6 TYR  HA          3.50    (#   5592:25  Unique         2.90, 3.60 A)
 &rst
  ixpk= 5592, nxpk= 25, iat=  -1,  89, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=  95, 104,
 &end
#
#   78 GLY  HA+           6 TYR  HA          5.50    (#   5596:25  Unique         2.41, 3.43 A)
 &rst
  ixpk= 5596, nxpk= 25, iat=  -1,  89, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1200,1201,
 &end
#
#    6 TYR  HB+           6 TYR  HA          3.50    (#   5597:25  Unique         2.45, 2.77 A)
 &rst
  ixpk= 5597, nxpk= 25, iat=  -1,  89, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=  91,  92,
 &end
#
#    6 TYR  HB-           6 TYR  HA          3.50    (#   5598:25  Unique         2.45, 2.77 A)
 &rst
  ixpk= 5598, nxpk= 25, iat=  -1,  89, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=  91,  92,
 &end
#
#   79 MET  HG-           6 TYR  HA          5.50    (#   5599:25  Unique         4.35, 5.42 A)
 &rst
  ixpk= 5599, nxpk= 25, iat=  -1,  89, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1212,1213,
 &end
#
#   79 MET  HB-           6 TYR  HA          5.50    (#   5601:25  Unique         4.38, 5.39 A)
 &rst
  ixpk= 5601, nxpk= 25, iat=  -1,  89, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1209,1210,
 &end
#
#   80 SER  HB+          31 SER  HB+         4.50    (#   5602:25  Unique         2.15, 3.80 A)
 &rst
  ixpk= 5602, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1226,1227,
 igr2= 481, 482,
 &end
#
#   75 LEU  HN           37 TYR  HA          5.50    (#   5605:25  Unique         3.85, 3.91 A)
 &rst
  ixpk= 5605, nxpk= 25, iat=1143, 576, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  25-2:5606    37 TYR  HA          5.50    (#   5606:25  Single Ambig)
 &rst
  ixpk= 5606, nxpk= 25, iat=  -1, 576, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1= 601, 602, 603, 605, 606,
 &end
#
#   38 ILE  QG2          37 TYR  HB-         4.50    (#   5607:25  Unique         2.90, 4.21 A)
 &rst
  ixpk= 5607, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 601, 602, 603,
 igr2= 578, 579,
 &end
#
#   76 LYS  HB+          37 TYR  HB+         5.50    (#   5608:25  Unique         3.11, 4.65 A)
 &rst
  ixpk= 5608, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1166,1167,
 igr2= 578, 579,
 &end
#
#   76 LYS  HB+          37 TYR  HB-         5.50    (#   5609:25  Unique         3.11, 4.65 A)
 &rst
  ixpk= 5609, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1166,1167,
 igr2= 578, 579,
 &end
#
#    0 AMB  25-2:5610    37 TYR  HB-         5.50    (#   5610:25  Single Ambig)
 &rst
  ixpk= 5610, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 495,1147,1148,
 igr2= 578, 579,
 &end
#
#    0 AMB  25-2:5611    38 ILE  QG2         5.50    (#   5611:25  Single Ambig)
 &rst
  ixpk= 5611, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 446,1186,
 igr2= 601, 602, 603,
 &end
#
#   44 GLN  HN           40 GLU  HA          5.50    (#   5612:25  Unique         4.12, 4.44 A)
 &rst
  ixpk= 5612, nxpk= 25, iat= 694, 627, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   41 ASN  HN           40 GLU  HA          4.50    (#   5613:25  Unique         3.52, 3.56 A)
 &rst
  ixpk= 5613, nxpk= 25, iat= 640, 627, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:5614     0 AMB  25-1:5614   5.50    (#   5614:25  Double Ambig)
 &rst
  ixpk= 5614, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
 igr1=1294,1295,1296,1298,1299,1300, 215, 216, 217, 219,
       220, 221,
 igr2=1308,1309,1308,1309,
 &end
#
#    0 AMB  25-2:5616     0 AMB  25-1:5616   5.50    (#   5616:25  Double Ambig)
 &rst
  ixpk= 5616, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1117, 713,
 igr2= 644, 645, 644, 645,
 &end
#
#    0 AMB  25-2:5617    41 ASN  HB-         5.50    (#   5617:25  Single Ambig)
 &rst
  ixpk= 5617, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1117, 713,
 igr2= 644, 645,
 &end
#
#   42 TYR  HD           43 ILE  QD1         5.50    (#   5618:25  Unique         2.89, 6.96 A)
 &rst
  ixpk= 5618, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 662, 671,
 igr2= 688, 689, 690,
 &end
#
#    0 AMB  25-2:5619    43 ILE  QD1         5.50    (#   5619:25  Single Ambig)
 &rst
  ixpk= 5619, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 461, 401,
 igr2= 688, 689, 690,
 &end
#
#    0 AMB  25-2:5620    43 ILE  QG2         5.50    (#   5620:25  Single Ambig)
 &rst
  ixpk= 5620, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 711, 433,
 igr2= 681, 682, 683,
 &end
#
#   44 GLN  HE2+         43 ILE  QG2         5.50    (#   5621:25  Unique         3.95, 7.01 A)
 &rst
  ixpk= 5621, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 706, 707,
 igr2= 681, 682, 683,
 &end
#
#    0 AMB  25-2:5622    43 ILE  QG2         4.50    (#   5622:25  Single Ambig)
 &rst
  ixpk= 5622, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 627, 437, 438,
 igr2= 681, 682, 683,
 &end
#
#   44 GLN  HA           43 ILE  QG2         4.50    (#   5623:25  Unique         3.16, 4.82 A)
 &rst
  ixpk= 5623, nxpk= 25, iat= 696,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 681, 682, 683,
 &end
#
#   48 ASP  HN           45 ALA  MB          5.50    (#   5625:25  Unique         5.36, 5.59 A)
 &rst
  ixpk= 5625, nxpk= 25, iat= 762,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 715, 716, 717,
 &end
#
#    0 AMB  25-2:5626    45 ALA  MB          4.50    (#   5626:25  Single Ambig)
 &rst
  ixpk= 5626, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 649, 650, 740,
 igr2= 715, 716, 717,
 &end
#
#    0 AMB  25-2:5627    45 ALA  MB          4.50    (#   5627:25  Single Ambig)
 &rst
  ixpk= 5627, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 698, 699, 744, 745,
 igr2= 715, 716, 717,
 &end
#
#    0 AMB  25-2:5628    46 ILE  HA          5.50    (#   5628:25  Single Ambig)
 &rst
  ixpk= 5628, nxpk= 25, iat=  -1, 723, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1= 395, 396, 397, 747, 748,
 &end
#
#    0 AMB  25-2:5629    47 LYS  HA          4.50    (#   5629:25  Single Ambig)
 &rst
  ixpk= 5629, nxpk= 25, iat=  -1, 742, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 392, 393, 725,
 &end
#
#   52 ASN  HN           48 ASP  HA          4.50    (#   5631:25  Unique         4.01, 4.10 A)
 &rst
  ixpk= 5631, nxpk= 25, iat= 818, 764, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   52 ASN  HN           51 ILE  QD1         5.50    (#   5633:25  Unique         4.58, 5.75 A)
 &rst
  ixpk= 5633, nxpk= 25, iat= 818,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 812, 813, 814,
 &end
#
#   49 SER  HN           52 ASN  HB+         5.50    (#   5635:25  Unique         4.79, 5.72 A)
 &rst
  ixpk= 5635, nxpk= 25, iat= 774,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 822, 823,
 &end
#
#   54 GLY  HN           52 ASN  HB+         4.50    (#   5636:25  Unique         3.99, 4.79 A)
 &rst
  ixpk= 5636, nxpk= 25, iat= 846,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 822, 823,
 &end
#
#   53 ASN  HA           52 ASN  HB+         5.50    (#   5638:25  Unique         4.23, 4.70 A)
 &rst
  ixpk= 5638, nxpk= 25, iat= 834,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 822, 823,
 &end
#
#   49 SER  HB+          52 ASN  HB+         4.50    (#   5639:25  Unique         3.66, 5.37 A)
 &rst
  ixpk= 5639, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 778, 779,
 igr2= 822, 823,
 &end
#
#   57 TYR  HA           56 TYR  HB+         5.50    (#   5642:25  Unique         4.34, 5.45 A)
 &rst
  ixpk= 5642, nxpk= 25, iat= 890,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 871, 872,
 &end
#
#   57 TYR  HA           56 TYR  HB-         5.50    (#   5643:25  Unique         4.34, 5.45 A)
 &rst
  ixpk= 5643, nxpk= 25, iat= 890,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 871, 872,
 &end
#
#   59 LEU  MDX          57 TYR  HB+         5.50    (#   5645:25  Unique         2.85, 6.41 A)
 &rst
  ixpk= 5645, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 937, 938, 939, 941, 942, 943,
 igr2= 892, 893,
 &end
#
#   60 ALA  HA           58 ILE  QG2         5.50    (#   5650:25  Unique         3.65, 4.72 A)
 &rst
  ixpk= 5650, nxpk= 25, iat= 949,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 915, 916, 917,
 &end
#
#    0 AMB  25-2:5651    60 ALA  MB          4.50    (#   5651:25  Single Ambig)
 &rst
  ixpk= 5651, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 961, 962, 964, 965,
 igr2= 951, 952, 953,
 &end
#
#  122 LEU  HA           60 ALA  MB          5.50    (#   5654:25  Unique         5.69, 6.74 A)
 &rst
  ixpk= 5654, nxpk= 25, iat=1841,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 951, 952, 953,
 &end
#
#    0 AMB  25-2:5658    12 ILE  HA          5.50    (#   5658:25  Single Ambig)
 &rst
  ixpk= 5658, nxpk= 25, iat=  -1, 181, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2126,2127,2192,2193,
 &end
#
#   34 ASP  HN           33 LEU  MDX         5.50    (#   5660:25  Unique         3.50, 5.26 A)
 &rst
  ixpk= 5660, nxpk= 25, iat= 526,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 516, 517, 518, 520, 521, 522,
 &end
#
#   36 ASN  HN           33 LEU  MDX         5.50    (#   5661:25  Unique         4.25, 6.16 A)
 &rst
  ixpk= 5661, nxpk= 25, iat= 560,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 516, 517, 518, 520, 521, 522,
 &end
#
#   38 ILE  HN           33 LEU  MDX         5.50    (#   5662:25  Unique         3.95, 6.09 A)
 &rst
  ixpk= 5662, nxpk= 25, iat= 595,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 516, 517, 518, 520, 521, 522,
 &end
#
#    0 AMB  25-2:5663    33 LEU  MDX         4.50    (#   5663:25  Single Ambig)
 &rst
  ixpk= 5663, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 528, 562,
 igr2= 516, 517, 518, 520, 521, 522,
 &end
#
#  137 GLU  HG+          14 VAL  MGX         4.50    (#   5666:25  Unique         2.20, 5.41 A)
 &rst
  ixpk= 5666, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=2075,2076,
 igr2= 215, 216, 217, 219, 220, 221,
 &end
#
#    0 AMB  25-2:5667    32 LEU  HB-         5.50    (#   5667:25  Single Ambig)
 &rst
  ixpk= 5667, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 509, 479, 129, 130,
 igr2= 492, 493,
 &end
#
#   37 TYR  HN           32 LEU  HB-         5.50    (#   5669:25  Unique         3.94, 4.60 A)
 &rst
  ixpk= 5669, nxpk= 25, iat= 574,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 492, 493,
 &end
#
#  134 ALA  HN          143 ILE  QD1         5.50    (#   5670:25  Unique         4.84, 5.64 A)
 &rst
  ixpk= 5670, nxpk= 25, iat=2036,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=2176,2177,2178,
 &end
#
#  130 GLN  HG+         143 ILE  QD1         4.50    (#   5671:25  Unique         4.44, 5.42 A)
 &rst
  ixpk= 5671, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1974,1975,
 igr2=2176,2177,2178,
 &end
#
#  130 GLN  HG+         143 ILE  QD1         4.50    (#   5672:25  Unique         4.44, 5.42 A)
 &rst
  ixpk= 5672, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1974,1975,
 igr2=2176,2177,2178,
 &end
#
#  140 LEU  HN          143 ILE  QD1         5.50    (#   5673:25  Unique         4.12, 5.37 A)
 &rst
  ixpk= 5673, nxpk= 25, iat=2122,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=2176,2177,2178,
 &end
#
#  137 GLU  HB-          14 VAL  MGY         3.50    (#   5674:25  Unique         2.84, 6.30 A)
 &rst
  ixpk= 5674, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=2072,2073,
 igr2= 215, 216, 217, 219, 220, 221,
 &end
#
#  140 LEU  HN           14 VAL  MGY         5.50    (#   5675:25  Unique         4.34, 6.43 A)
 &rst
  ixpk= 5675, nxpk= 25, iat=2122,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 215, 216, 217, 219, 220, 221,
 &end
#
#   13 SER  HN           14 VAL  MGY         5.50    (#   5676:25  Unique         4.13, 6.33 A)
 &rst
  ixpk= 5676, nxpk= 25, iat= 198,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 215, 216, 217, 219, 220, 221,
 &end
#
#   90 PHE  HN           58 ILE  QD1         5.50    (#   5679:25  Unique         5.18, 6.72 A)
 &rst
  ixpk= 5679, nxpk= 25, iat=1380,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 922, 923, 924,
 &end
#
#   63 VAL  HN           58 ILE  QD1         5.50    (#   5680:25  Unique         4.09, 5.37 A)
 &rst
  ixpk= 5680, nxpk= 25, iat= 978,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 922, 923, 924,
 &end
#
#   42 TYR  HB-          43 ILE  QD1         5.50    (#   5681:25  Unique         2.94, 6.05 A)
 &rst
  ixpk= 5681, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 658, 659,
 igr2= 688, 689, 690,
 &end
#
#   47 LYS  HE-          43 ILE  QD1         5.50    (#   5682:25  Unique         4.99, 6.72 A)
 &rst
  ixpk= 5682, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 753, 754,
 igr2= 688, 689, 690,
 &end
#
#    0 AMB  25-2:5683    43 ILE  QD1         5.50    (#   5683:25  Single Ambig)
 &rst
  ixpk= 5683, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 465, 386,
 igr2= 688, 689, 690,
 &end
#
#   38 ILE  QG2          43 ILE  QD1         4.50    (#   5684:25  Unique         4.93, 6.97 A)
 &rst
  ixpk= 5684, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 601, 602, 603,
 igr2= 688, 689, 690,
 &end
#
#  119 SER  HN          117 ALA  MB          5.50    (#   5687:25  Unique         4.87, 5.44 A)
 &rst
  ixpk= 5687, nxpk= 25, iat=1794,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1769,1770,1771,
 &end
#
#  112 ILE  HA          116 GLN  HG-         5.50    (#   5688:25  Unique         3.75, 4.44 A)
 &rst
  ixpk= 5688, nxpk= 25, iat=1695,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1755,1756,
 &end
#
#  116 GLN  HB+         112 ILE  QG2         4.50    (#   5690:25  Unique         4.13, 5.45 A)
 &rst
  ixpk= 5690, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1752,1753,
 igr2=1699,1700,1701,
 &end
#
#    0 AMB  25-2:5693     0 AMB  25-1:5693   4.50    (#   5693:25  Double Ambig)
 &rst
  ixpk= 5693, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1=2219,2220,  28,  29,
 igr2=2238,2239,2238,2239,
 &end
#
#  146 ARG  HG-         147 GLY  HA-         4.50    (#   5694:25  Unique         3.06, 5.70 A)
 &rst
  ixpk= 5694, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=2219,2220,
 igr2=2238,2239,
 &end
#
#  144 ILE  HN          145 SER  HA          5.50    (#   5695:25  Unique         5.16, 5.27 A)
 &rst
  ixpk= 5695, nxpk= 25, iat=2182,2203, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  146 ARG  HN          144 ILE  HA          4.50    (#   5696:25  Unique         3.79, 4.28 A)
 &rst
  ixpk= 5696, nxpk= 25, iat=2212,2184, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  145 SER  HN          142 ASP  HB-         5.50    (#   5697:25  Unique         5.27, 5.46 A)
 &rst
  ixpk= 5697, nxpk= 25, iat=2201,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=2155,2156,
 &end
#
#  142 ASP  HB-         141 ALA  MB          5.50    (#   5698:25  Unique         4.49, 5.73 A)
 &rst
  ixpk= 5698, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=2155,2156,
 igr2=2145,2146,2147,
 &end
#
#    0 AMB  25-2:5699     0 AMB  25-1:5699   4.50    (#   5699:25  Double Ambig)
 &rst
  ixpk= 5699, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=2182,1805,
 igr2=2145,2146,2147,1769,1770,1771,
 &end
#
#    6 TYR  HD          117 ALA  MB          5.50    (#   5700:25  Unique         2.95, 5.04 A)
 &rst
  ixpk= 5700, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=  95, 104,
 igr2=1769,1770,1771,
 &end
#
#  139 GLN  HN          141 ALA  MB          5.50    (#   5702:25  Unique         5.15, 6.29 A)
 &rst
  ixpk= 5702, nxpk= 25, iat=2105,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=2145,2146,2147,
 &end
#
#  138 LYS  HA          141 ALA  MB          2.80    (#   5703:25  Unique         2.41, 3.72 A)
 &rst
  ixpk= 5703, nxpk= 25, iat=2085,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=2145,2146,2147,
 &end
#
#    0 AMB  25-2:5704     0 AMB  25-1:5704   4.50    (#   5704:25  Double Ambig)
 &rst
  ixpk= 5704, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1=2072,2073,1752,1753,1809,1810,
 igr2=2145,2146,2147,1769,1770,1771,
 &end
#
#  140 LEU  HN          134 ALA  HA          5.50    (#   5705:25  Unique         4.88, 5.43 A)
 &rst
  ixpk= 5705, nxpk= 25, iat=2122,2038, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  130 GLN  HN          133 THR  MG2         5.50    (#   5706:25  Unique         5.45, 6.52 A)
 &rst
  ixpk= 5706, nxpk= 25, iat=1967,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=2028,2029,2030,
 &end
#
#   78 GLY  HN           32 LEU  MDX         5.50    (#   5707:25  Unique         4.14, 5.32 A)
 &rst
  ixpk= 5707, nxpk= 25, iat=1198,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 497, 498, 499, 501, 502, 503,
 &end
#
#    8 PRO  HD-          32 LEU  MDX         5.50    (#   5713:25  Unique         2.82, 5.43 A)
 &rst
  ixpk= 5713, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 129, 130,
 igr2= 497, 498, 499, 501, 502, 503,
 &end
#
#   98 LYS  HE+         132 LEU  HA          5.50    (#   5714:25  Unique         3.03, 5.29 A)
 &rst
  ixpk= 5714, nxpk= 25, iat=  -1,2005, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1508,1509,
 &end
#
#  130 GLN  HN          131 LEU  HB-         5.50    (#   5715:25  Unique         4.61, 5.41 A)
 &rst
  ixpk= 5715, nxpk= 25, iat=1967,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1988,1989,
 &end
#
#  133 THR  HN           83 LEU  MDY         5.50    (#   5717:25  Unique         4.39, 5.81 A)
 &rst
  ixpk= 5717, nxpk= 25, iat=2022,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1275,1276,1277,1279,1280,1281,
 &end
#
#    0 AMB  25-2:5719    14 VAL  MGY         4.50    (#   5719:25  Single Ambig)
 &rst
  ixpk= 5719, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1268,1254,
 igr2= 215, 216, 217, 219, 220, 221,
 &end
#
#   37 TYR  HB+          76 LYS  HB-         5.50    (#   5721:25  Unique         3.11, 4.65 A)
 &rst
  ixpk= 5721, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 578, 579,
 igr2=1166,1167,
 &end
#
#    0 AMB  25-2:5723     0 AMB  25-1:5723   5.50    (#   5723:25  Double Ambig)
 &rst
  ixpk= 5723, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1794, 774,
 igr2=1735,1736,1737, 727, 728, 729,
 &end
#
#  114 ALA  MB           79 MET  HG+         4.50    (#   5726:25  Unique         2.59, 4.22 A)
 &rst
  ixpk= 5726, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1723,1724,1725,
 igr2=1212,1213,
 &end
#
#  101 ILE  HN           81 LEU  HA          5.50    (#   5727:25  Unique         4.88, 5.04 A)
 &rst
  ixpk= 5727, nxpk= 25, iat=1555,1235, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   37 TYR  HB+          32 LEU  MDX         5.50    (#   5728:25  Unique         2.55, 4.36 A)
 &rst
  ixpk= 5728, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 578, 579,
 igr2= 497, 498, 499, 501, 502, 503,
 &end
#
#   98 LYS  HG-          87 GLY  HA+         4.50    (#   5730:25  Unique         2.55, 4.64 A)
 &rst
  ixpk= 5730, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1502,1503,
 igr2=1338,1339,
 &end
#
#   63 VAL  HN           97 ILE  QG2         5.50    (#   5733:25  Unique         3.53, 4.93 A)
 &rst
  ixpk= 5733, nxpk= 25, iat= 978,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1482,1483,1484,
 &end
#
#  100 LEU  HN           97 ILE  QG2         5.50    (#   5734:25  Unique         4.35, 5.18 A)
 &rst
  ixpk= 5734, nxpk= 25, iat=1536,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1482,1483,1484,
 &end
#
#  134 ALA  HN          130 GLN  HA          5.50    (#   5736:25  Unique         4.76, 4.95 A)
 &rst
  ixpk= 5736, nxpk= 25, iat=2036,1969, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  25-2:5737    82 THR  MG2         4.50    (#   5737:25  Single Ambig)
 &rst
  ixpk= 5737, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1285,1536,
 igr2=1258,1259,1260,
 &end
#
#   65 MET  HN           65 MET  ME          5.50    (#   5739:25  Unique         4.75, 5.75 A)
 &rst
  ixpk= 5739, nxpk= 25, iat=1004,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1015,1016,1017,
 &end
#
#   58 ILE  HN           65 MET  ME          5.50    (#   5740:25  Unique         5.90, 7.00 A)
 &rst
  ixpk= 5740, nxpk= 25, iat= 909,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1015,1016,1017,
 &end
#
#   57 TYR  HD           65 MET  ME          5.50    (#   5741:25  Unique         2.74, 5.90 A)
 &rst
  ixpk= 5741, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 896, 905,
 igr2=1015,1016,1017,
 &end
#
#   65 MET  HA           65 MET  ME          5.50    (#   5746:25  Unique         4.63, 5.26 A)
 &rst
  ixpk= 5746, nxpk= 25, iat=1006,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1015,1016,1017,
 &end
#
#   57 TYR  HB+          65 MET  ME          5.50    (#   5749:25  Unique         3.29, 6.60 A)
 &rst
  ixpk= 5749, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 892, 893,
 igr2=1015,1016,1017,
 &end
#
#    0 AMB  25-2:5750    65 MET  ME          4.50    (#   5750:25  Single Ambig)
 &rst
  ixpk= 5750, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1=1731,1039,1040,
 igr2=1015,1016,1017,
 &end
#
#   67 HIS  HB-          65 MET  ME          5.50    (#   5751:25  Unique         5.52, 7.09 A)
 &rst
  ixpk= 5751, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1039,1040,
 igr2=1015,1016,1017,
 &end
#
#    0 AMB  25-2:5752    65 MET  ME          2.80    (#   5752:25  Single Ambig)
 &rst
  ixpk= 5752, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1008,1009,1011,1012,
 igr2=1015,1016,1017,
 &end
#
#   65 MET  HG-          65 MET  ME          3.50    (#   5753:25  Unique         2.58, 3.78 A)
 &rst
  ixpk= 5753, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1011,1012,
 igr2=1015,1016,1017,
 &end
#
#    0 AMB  25-2:5755    65 MET  ME          3.50    (#   5755:25  Single Ambig)
 &rst
  ixpk= 5755, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,
 igr1=1561,1562,1563,1739,1740,
 igr2=1015,1016,1017,
 &end
#
#   43 ILE  HA           25 ILE  QG2         5.50    (#   5756:25  Unique         3.19, 3.84 A)
 &rst
  ixpk= 5756, nxpk= 25, iat= 677,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 388, 389, 390,
 &end
#
#   26 ASP  HA           25 ILE  QG2         4.50    (#   5757:25  Unique         3.47, 4.68 A)
 &rst
  ixpk= 5757, nxpk= 25, iat= 403,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 388, 389, 390,
 &end
#
#   67 HIS  HN           28 SER  HB-         5.50    (#   5758:25  Unique         4.97, 6.22 A)
 &rst
  ixpk= 5758, nxpk= 25, iat=1035,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 437, 438,
 &end
#
#   78 GLY  HA-          77 THR  HA          5.50    (#   5759:25  Unique         4.37, 4.45 A)
 &rst
  ixpk= 5759, nxpk= 25, iat=  -1,1186, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1200,1201,
 &end
#
#  117 ALA  MB            3 LEU  MDX         2.80    (#   5760:25  Unique         2.18, 4.14 A)
 &rst
  ixpk= 5760, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1769,1770,1771,
 igr2=  54,  55,  56,  58,  59,  60,
 &end
#
#    6 TYR  HB+           3 LEU  MDX         4.50    (#   5761:25  Unique         3.98, 6.73 A)
 &rst
  ixpk= 5761, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=  91,  92,
 igr2=  54,  55,  56,  58,  59,  60,
 &end
#
#    2 ARG  HA            3 LEU  MDX         5.50    (#   5762:25  Unique         3.45, 5.71 A)
 &rst
  ixpk= 5762, nxpk= 25, iat=  23,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=  54,  55,  56,  58,  59,  60,
 &end
#
#    6 TYR  HN            3 LEU  MDX         5.50    (#   5763:25  Unique         5.08, 6.61 A)
 &rst
  ixpk= 5763, nxpk= 25, iat=  87,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=  54,  55,  56,  58,  59,  60,
 &end
#
#    4 SER  HN            3 LEU  MDX         5.50    (#   5764:25  Unique         4.44, 5.56 A)
 &rst
  ixpk= 5764, nxpk= 25, iat=  64,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=  54,  55,  56,  58,  59,  60,
 &end
#
#   27 PHE  HN           28 SER  HB+         5.50    (#   5765:25  Unique         4.86, 5.48 A)
 &rst
  ixpk= 5765, nxpk= 25, iat= 413,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 437, 438,
 &end
#
#  122 LEU  HA           65 MET  ME          5.50    (#   5766:25  Unique         6.06, 6.90 A)
 &rst
  ixpk= 5766, nxpk= 25, iat=1841,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1015,1016,1017,
 &end
#
#  118 LEU  HN           65 MET  ME          5.50    (#   5767:25  Unique         5.22, 6.77 A)
 &rst
  ixpk= 5767, nxpk= 25, iat=1775,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1015,1016,1017,
 &end
#
#    1 MET  HG+           1 MET  HA          3.50    (#   5779:25  Unique         2.31, 3.22 A)
 &rst
  ixpk= 5779, nxpk= 25, iat=  -1,   6, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=  11,  12,
 &end
#
#   37 TYR  HD           35 LYS  HE+         4.50    (#   5780:25  Unique         4.69, 7.19 A)
 &rst
  ixpk= 5780, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 582, 591,
 igr2= 551, 552,
 &end
#
#   90 PHE  HN           96 PRO  HA          5.50    (#   5781:25  Unique         3.64, 5.19 A)
 &rst
  ixpk= 5781, nxpk= 25, iat=1380,1472, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   99 LEU  HN            0 AMB  25-1:5783   5.50    (#   5783:25  Single Ambig)
 &rst
  ixpk= 5783, nxpk= 25, iat=1517,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr2=1275,1276,1277,1279,1280,1281,1545,1546,1547,1549,
      1550,1551,
 &end
#
#   85 GLU  HN            0 AMB  25-1:5784   5.50    (#   5784:25  Single Ambig)
 &rst
  ixpk= 5784, nxpk= 25, iat=1304,  -1, r1= 0.00, r2= 1.80, r3= 7.61, r4= 8.36,
 igr2=1275,1276,1277,1279,1280,1281,1292,
 &end
#
#  130 GLN  HE2-        126 GLU  HG+         5.50    (#   5785:25  Unique         5.13, 5.76 A)
 &rst
  ixpk= 5785, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1979,1980,
 igr2=1906,1907,
 &end
#
#    0 AMB  25-2:5786     0 AMB  25-1:5786   5.50    (#   5786:25  Double Ambig)
 &rst
  ixpk= 5786, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 569, 570, 582, 591,
 igr2= 528,1602,
 &end
#
#  130 GLN  HG+         143 ILE  QD1         4.50    (#   5788:25  Unique         4.44, 5.42 A)
 &rst
  ixpk= 5788, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1974,1975,
 igr2=2176,2177,2178,
 &end
#
#  131 LEU  HN          127 ILE  QG2         4.50    (#   5789:25  Unique         3.51, 4.67 A)
 &rst
  ixpk= 5789, nxpk= 25, iat=1984,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1920,1921,1922,
 &end
#
#    0 AMB  25-2:5790     0 AMB  25-1:5790   5.50    (#   5790:25  Double Ambig)
 &rst
  ixpk= 5790, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1268,1287,
 igr2=1499,1500,1499,1500,
 &end
#
#   50 THR  HN           46 ILE  HA          5.50    (#   5793:25  Unique         4.08, 4.30 A)
 &rst
  ixpk= 5793, nxpk= 25, iat= 785, 723, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   23 GLU  HN           20 ASP  HA          5.50    (#   5795:25  Unique         4.38, 4.64 A)
 &rst
  ixpk= 5795, nxpk= 25, iat= 357, 306, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   19 LYS  HN           20 ASP  HA          5.50    (#   5797:25  Unique         4.97, 5.25 A)
 &rst
  ixpk= 5797, nxpk= 25, iat= 282, 306, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  25-2:5798     0 AMB  25-1:5798   5.50    (#   5798:25  Double Ambig)
 &rst
  ixpk= 5798, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 569, 570,1858,
 igr2= 540,1871,
 &end
#
#   20 ASP  HN           19 LYS  HG+         4.50    (#   5799:25  Unique         3.92, 4.70 A)
 &rst
  ixpk= 5799, nxpk= 25, iat= 304,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 289, 290,
 &end
#
# 20 ASP  HN           19 LYS  HG+         4.50    (#   5799:25  Unique         3.36, 4.84 A)
 &rst
  ixpk= 5799, nxpk= 25, iat= 304,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 289, 290,
 &end
#
#  99 LEU  HN           98 LYS  HB-         4.50    (#   3195:25  Double Ambig   3.71, 4.36 A)
 &rst
  ixpk= 3195, nxpk= 25, iat=1517,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1499,1500,
 &end
#
#   64 ALA  HA           65 MET  HB-         5.50    (#   5370:25  Double Ambig)
 &rst
  ixpk= 5370, nxpk= 25, iat= 996,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1008,1009,
 &end
#
#   71 GLU  HA           71 GLU  HG+         3.50    (#   2134:25  Double Ambig)
 &rst
  ixpk= 2134, nxpk= 25, iat=1102,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1107,1108,
 &end
#
#   57 TYR  HB+          65 MET  HB+         4.50    (#   2133:25  Double Ambig)
 &rst
  ixpk= 2133, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 892, 893,
 igr2=1008,1009,
 &end
#
#   59 LEU  MDY          65 MET  HG-         4.50    (#   2144:25  Double Ambig)
 &rst
  ixpk= 2144, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 937, 938, 939, 941, 942, 943,
 igr2=1011,1012,
 &end
#
#   67 HIS  HA           67 HIS  HB+         3.50    (#   2241:25  Unique )
 &rst
  ixpk= 2241, nxpk= 25, iat=1037,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1039,1040,
 &end
#
#   67 HIS  HA           67 HIS  HB-         3.50    (#   2242:25  Unique )
 &rst
  ixpk= 2242, nxpk= 25, iat=1037,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1039,1040,
 &end
#
#   35 LYS  HA           35 LYS  HD+         3.50    (#   1144:25  Double Ambig)
 &rst
  ixpk= 1144, nxpk= 25, iat= 540,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 548, 549,
 &end
#
#    0 AMB  25-2:2313    70 PRO  HG+         3.50    (#   2313:25  Double Ambig)
 &rst
  ixpk= 2313, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1096,1064,
 igr2=1090,1091,
 &end
#
#   35 LYS  HB+          35 LYS  HA          2.80    (#     28:25  Double Ambig)
 &rst
  ixpk= 28, nxpk= 25, iat=  -1, 540, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 542, 543,
 &end
#
#    3 LEU  HG           3 LEU  HB+          2.80    (#     67:25  Double Ambig)
 &rst
  ixpk= 67, nxpk= 25, iat=  52,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=  49,  50,
 &end
#
#  144 ILE  HA           3 LEU  HG           4.50    (#     81:25  Double Ambig)
 &rst
  ixpk= 81, nxpk= 25, iat=2184,  52, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  147 GLY  HA-          3 LEU  HG           3.50    (#     82:25  Double Ambig)
 &rst
  ixpk= 82, nxpk= 25, iat=  -1,  52, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=2238,2239,
 &end
#
#   26 ASP  HA          26 ASP  HB+          2.80    (#    109:25  Double Ambig)
 &rst
  ixpk= 109, nxpk= 25, iat= 403,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 405, 406,
 &end
#
#   23 GLU  HA          26 ASP  HB+          3.50    (#    110:25  Double Ambig )
 &rst
  ixpk= 110, nxpk= 25, iat= 359,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 405, 406,
 &end
#
#    9 GLU  HA           9 GLU  HG+          2.80    (#    209:25  Double Ambig)
 &rst
  ixpk= 209, nxpk= 25, iat= 144,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 149, 150,
 &end
#
#   10 SER  HN          10 SER  HA           2.80    (#    214:25  Double Ambig)
 &rst
  ixpk= 214, nxpk= 25, iat= 157, 159, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  25-2:218    10 SER  HA           4.50    (#    218:25  Double Ambig)
 &rst
  ixpk= 218, nxpk= 25, iat=  -1, 159, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 146, 147,2072,2073,
 &end
#
#    0 AMB  25-2:219   145 SER  HA           4.50    (#    219:25  Double Ambig)
 &rst
  ixpk= 219, nxpk= 25, iat=  -1,2203, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=  49,  50,2186,
 &end
#
#  121 LEU  HN           3 LEU  HG           5.50    (#    393:25  Double Ambig )
 &rst
  ixpk= 393, nxpk= 25, iat=1820,  52, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   19 LYS  HG-         19 LYS  HA           2.80    (#    526:25  Double Ambig)
 &rst
  ixpk= 526, nxpk= 25, iat=  -1, 284, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 289, 290,
 &end
#
#   19 LYS  HA          19 LYS  HG-          3.50    (#    546:25  Double Ambig)
 &rst
  ixpk= 546, nxpk= 25, iat= 284,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 289, 290,
 &end
#
#   21 TRP  HN          21 TRP  HB-          4.50    (#    609:25  Double Ambig)
 &rst
  ixpk= 609, nxpk= 25, iat= 316,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 320, 321,
 &end
#
#   32 LEU  MDY          8 PRO  HG+          2.80    (#    651:25  Double Ambig)
 &rst
  ixpk= 651, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 497, 498, 499, 501, 502, 503,
 igr2= 132, 133,
 &end
#
#   25 ILE  HG1-        25 ILE  HB           2.80    (#    758:25  Double Ambig)
 &rst
  ixpk= 758, nxpk= 25, iat=  -1, 386, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 392, 393,
 &end
#
#  143 ILE  HN         143 ILE  HG1+         2.80    (#    766:25  Double Ambig)
 &rst
  ixpk= 766, nxpk= 25, iat=2163,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=2173,2174,
 &end
#
#   26 ASP  HN          26 ASP  HA           2.80    (#    795:25  Double Ambig  )
 &rst
  ixpk= 795, nxpk= 25, iat= 401, 403, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  100 LEU  HB+         28 SER  HB-          3.50    (#    871:25  Double Ambig)
 &rst
  ixpk= 871, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1540,1541,
 igr2= 437, 438,
 &end
#
#   29 MET  HN          28 SER  HB-          4.50    (#    883:25  Double Ambig)
 &rst
  ixpk= 883, nxpk= 25, iat= 444,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 437, 438,
 &end
#
#  117 ALA  HN         116 GLN  HG+          4.50    (#    907:25  Double Ambig  )
 &rst
  ixpk= 907, nxpk= 25, iat=1765,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1755,1756,
 &end
#
#   32 LEU  HG          32 LEU  HB+          3.50    (#   1017:25  Double Ambig     )
 &rst
  ixpk= 1017, nxpk= 25, iat= 495,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 492, 493,
 &end
#
#    0 AMB  25-2:1107   34 ASP  HB+          5.50    (#   1107:25  Double Ambig  )
 &rst
  ixpk= 1107, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 463, 481, 482, 490,
 igr2= 530, 531,
 &end
#
#   35 LYS  HB+         35 LYS  HD-          3.50    (#   1148:25  Double Ambig  )
 &rst
  ixpk= 1148, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 542, 543,
 igr2= 548, 549,
 &end
#
#   34 ASP  HB+         35 LYS  HE+          4.50    (#   1155:25  Double Ambi)
 &rst
  ixpk= 1155, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 530, 531,
 igr2= 551, 552,
 &end
#
#    9 GLU  HN          35 LYS  HE+          4.50    (#   1159:25  Double Ambig)
 &rst
  ixpk= 1159, nxpk= 25, iat= 142,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 551, 552,
 &end
#
#   36 ASN  HB-         36 ASN  HA           2.80    (#   1166:25  Double Ambig)
 &rst
  ixpk= 1166, nxpk= 25, iat=  -1, 562, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 564, 565,
 &end
#
#    0 AMB  25-2:1236  132 LEU  HB-          2.80    (#   1236:25  Double Ambig)
 &rst
  ixpk= 1236, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=2012,2013,2014,2016,2017,2018,2012,2013,2014,2016,
      2017,2018,1526,1527,1528,1530,1531,1532,
 igr2=2007,2008,
 &end
#
#   49 SER  HB+         49 SER  HA           2.80    (#   1663:25  Double Ambig)
 &rst
  ixpk= 1663, nxpk= 25, iat=  -1, 776, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 778, 779,
 &end
#
#   61 PRO  HD+         61 PRO  HG-          2.80    (#   2020:25  Double Ambig)
 &rst
  ixpk= 2020, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 958, 959,
 igr2= 961, 962,
 &end
#
#   65 MET  HN          65 MET  HB+          3.50    (#   2139:25  Double Ambig)
 &rst
  ixpk= 2139, nxpk= 25, iat=1004,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1008,1009,
 &end
#
#   91 PRO  HA          91 PRO  HG-          4.50    (#   2982:25  Double Ambig)
 &rst
  ixpk= 2982, nxpk= 25, iat=1410,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1404,1405,
 &end
#
#    0 AMB  25-2:3187   98 LYS  HB-          2.80    (#   3187:25  Double Ambig)
 &rst
  ixpk= 3187, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1=2012,2013,2014,2016,2017,2018,2012,2013,2014,2016,
      2017,2018,
 igr2=1499,1500,
 &end
#
#   98 LYS  HB+         98 LYS  HG+          3.50    (#   3207:25  Double Ambig)
 &rst
  ixpk= 3207, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1499,1500,
 igr2=1502,1503,
 &end
#
#   98 LYS  HD-         98 LYS  HE+          2.80    (#   3246:25  Double Ambig)
 &rst
  ixpk= 3246, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1505,1506,
 igr2=1508,1509,
 &end
#
#  131 LEU  HB+         99 LEU  MDX          2.80    (#   3259:25  Double Ambig    )
 &rst
  ixpk= 3259, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1988,1989,
 igr2=1526,1527,1528,1530,1531,1532,
 &end
#
#  100 LEU  HA         100 LEU  MDX          3.50    (#   3299:25  Double Ambig)
 &rst
  ixpk= 3299, nxpk= 25, iat=1538,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1545,1546,1547,1549,1550,1551,
 &end
#
#    0 AMB  25-2:3374  102 GLY  HA-          5.50    (#   3374:25  Double Ambig     )
 &rst
  ixpk= 3374, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1028,1029,1540,1541,
 igr2=1576,1577,
 &end
#
#    0 AMB  25-2:3672  112 ILE  HG1-         2.80    (#   3672:25  Double Ambig)
 &rst
  ixpk= 3672, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1706,1707,1708,1699,1700,1701,
 igr2=1703,1704,
 &end
#
#  116 GLN  HN         115 ILE  HG1-         4.50    (#   3774:25  Double Ambig )
 &rst
  ixpk= 3774, nxpk= 25, iat=1748,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1739,1740,
 &end
#
#  116 GLN  HN         116 GLN  HB-          2.80    (#   3804:25  Double Ambig  )
 &rst
  ixpk= 3804, nxpk= 25, iat=1748,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1752,1753,
 &end
#
#  127 ILE  HA         127 ILE  QG2          2.80    (#   4017:25  Double Ambig  )
 &rst
  ixpk= 4017, nxpk= 25, iat=1916,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1920,1921,1922,
 &end
#
#  140 LEU  HG         140 LEU  HA           2.80    (#   4308:25  Single Ambig)
 &rst
  ixpk= 4308, nxpk= 25, iat=2129,2124, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  139 GLN  HG+        143 ILE  QD1          3.50    (#   4392:25  Double Ambig )
 &rst
  ixpk= 4392, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=2112,2113,
 igr2=2176,2177,2178,
 &end
#
#  143 ILE  HN         143 ILE  QG2          3.50    (#   4399:25  Double Ambig)
 &rst
  ixpk= 4399, nxpk= 25, iat=2163,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=2169,2170,2171,
 &end
#
#    0 AMB  25-2:4752     0 AMB  25-1:4752   5.50    (#   4752:25  Double Ambig  )
 &rst
  ixpk= 4752, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1967,1805,
 igr2=2007,2008,1824,1825,
 &end
#
#    3 LEU  MDX          2 ARG  HA           4.50    (#   4788:25  Double Ambig)
 &rst
  ixpk= 4788, nxpk= 25, iat=  -1,  23, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=  54,  55,  56,  58,  59,  60,
 &end
#
#    0 AMB  25-2:4876   35 LYS  HE+          4.50    (#   4876:25  Double Ambig   )
 &rst
  ixpk= 4876, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 129, 130, 479,
 igr2= 551, 552,
 &end
#
#  127 ILE  HN         127 ILE  HG1-         3.50    (#   4002:25  Single Ambig)
 &rst
  ixpk= 4002, nxpk= 25, iat=1914,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1924,1925,
 &end
#
#  127 ILE  HN         127 ILE  HG1+         3.50    (#   4003:25  Double Ambig   )
 &rst
  ixpk= 4003, nxpk= 25, iat=1914,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1924,1925,
 &end
#
#   65 MET  ME          115 ILE  QD1         3.50    (#   3787:25  Unique         1.98, 3.82 A  )
 &rst
  ixpk= 3787, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1015,1016,1017,
 igr2=1742,1743,1744,
 &end
#
#   54 GLY  HA-          55 PRO  HD+         2.80    (#   1848:25  Unique         1.93, 2.92 A)
 &rst
  ixpk= 1848, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 848, 849,
 igr2= 854, 855,
 &end
#
#   54 GLY  HA+          55 PRO  HD+         3.50    (#   1849:25  Unique         1.93, 2.92 A   )
 &rst
  ixpk= 1849, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 848, 849,
 igr2= 854, 855,
 &end
#
#  102 GLY  HA+         103 LEU  HA          5.50    (#   5735:25  Unique         4.34, 4.42 A)
 &rst
  ixpk= 5735, nxpk= 25, iat=  -1,1583, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1576,1577,
 &end
#
#   92 GLY  HA+          91 PRO  HA          4.50    (#   2957:25  Unique         4.25, 4.46 A)
 &rst
  ixpk= 2957, nxpk= 25, iat=  -1,1410, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1416,1417,
 &end
#
#   62 GLY  HA+          98 LYS  HB-         5.50    (#   5024:25  Unique         3.85, 5.15 A )
 &rst
  ixpk= 5024, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 973, 974,
 igr2=1499,1500,
 &end
#
#   77 THR  MG2          78 GLY  HA+         4.50    (#   5148:25  Double Ambig)
 &rst
  ixpk= 5148, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1190,1191,1192,
 igr2=1200,1201,
 &end
#
#   77 THR  MG2          78 GLY  HA-         4.50    (#   5150:25  Single Ambig)
 &rst
  ixpk= 5150, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1190,1191,1192,
 igr2=1200,1201,
 &end
#
#   74 ALA  HN           73 GLY  HA-         4.50    (#   2352:25  Unique         2.48, 3.32 A)
 &rst
  ixpk= 2352, nxpk= 25, iat=1133,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1128,1129,
 &end
#
#   73 GLY  HN           73 GLY  HA-         2.80    (#   2353:25  Unique         2.44, 2.77 A)
 &rst
  ixpk= 2353, nxpk= 25, iat=1126,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1128,1129,
 &end
#
#   42 TYR  HB-          73 GLY  HA-         2.80    (#   2355:25  Unique         1.94, 4.49 A)
 &rst
  ixpk= 2355, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 658, 659,
 igr2=1128,1129,
 &end
#
#   42 TYR  HB+          73 GLY  HA-         2.80    (#   2356:25  Unique         1.94, 4.49 A)
 &rst
  ixpk= 2356, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 658, 659,
 igr2=1128,1129,
 &end
#
#   75 LEU  MDY          73 GLY  HA-         4.50    (#   2357:25  Unique         3.70, 6.44 A)
 &rst
  ixpk= 2357, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1152,1153,1154,1156,1157,1158,
 igr2=1128,1129,
 &end
#
#   73 GLY  HA-          42 TYR  HB+         2.80    (#   1408:25  Unique         1.94, 4.49 A)
 &rst
  ixpk= 1408, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1128,1129,
 igr2= 658, 659,
 &end
#
#   73 GLY  HA-          42 TYR  HB-         2.80    (#   1409:25  Unique         1.94, 4.49 A)
 &rst
  ixpk= 1409, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1128,1129,
 igr2= 658, 659,
 &end
#
#   72 CYS  HB+          68 ALA  MB          3.50    (#   2273:25  Single Ambig)
 &rst
  ixpk= 2273, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1119,1120,
 igr2=1056,1057,1058,
 &end
#
#    0 AMB  25-2:4547    70 PRO  HA          5.50    (#   4547:25  Single Ambig )
 &rst
  ixpk= 4547, nxpk= 25, iat=  -1,1096, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1119,1120,1680,1681,
 &end
#
#   95 GLU  HA           96 PRO  HA          4.50    (#   3059:25  Unique         4.39, 4.40 A)
 &rst
  ixpk= 3059, nxpk= 25, iat=1449,1472, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   95 GLU  HA           97 ILE  QD1         5.50    (#   3146:25  Unique         5.62, 6.88 A)
 &rst
  ixpk= 3146, nxpk= 25, iat=1449,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1489,1490,1491,
 &end
#
#   67 HIS  HN           46 ILE  QG2         3.50    (#   1586:25  Unique         3.44, 4.69 A)
 &rst
  ixpk= 1586, nxpk= 25, iat=1035,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 727, 728, 729,
 &end
#
#  139 GLN  HB+         136 SER  HB-         5.50    (#   4231:25  Single Ambig )
 &rst
  ixpk= 4231, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2109,2110,
 igr2=2061,2062,
 &end
#
#   56 TYR  HN           57 TYR  HB+         5.50    (#   1894:25  Unique         4.03, 5.00 A)
 &rst
  ixpk= 1894, nxpk= 25, iat= 867,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 892, 893,
 &end
#
#   56 TYR  HN           57 TYR  HB-         5.50    (#   1898:25  Unique         4.03, 5.00 A )
 &rst
  ixpk= 1898, nxpk= 25, iat= 867,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 892, 893,
 &end
#
#   56 TYR  HN           64 ALA  MB          5.50    (#   2107:25  Unique         5.10, 6.80 A  )
 &rst
  ixpk= 2107, nxpk= 25, iat= 867,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 998, 999,1000,
 &end
#
#   67 HIS  HN           25 ILE  QD1         5.50    (#    775:25  Unique         4.48, 5.92 A  )
 &rst
  ixpk= 775, nxpk= 25, iat=1035,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 395, 396, 397,
 &end
#
#   56 TYR  HD           55 PRO  HA          5.50    (#   1813:25  Single Ambig)
 &rst
  ixpk= 1813, nxpk= 25, iat=  -1, 863, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 875, 884,
 &end
#
#   67 HIS  HN           66 PRO  HA          3.50    (#   2167:25  Single Ambig )
 &rst
  ixpk= 2167, nxpk= 25, iat=1035,1031, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   17 SER  HB-          86 GLN  HB-         2.80    (#   2823:25  Unique         1.91, 3.03 A)
 &rst
  ixpk= 2823, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 265, 266,
 igr2=1323,1324,
 &end
#
#   86 GLN  HN           84 LEU  HG          5.50    (#   5782:25  Double Ambig)
 &rst
  ixpk= 5782, nxpk= 25, iat=1319,1292, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   87 GLY  HA+          88 VAL  HB          4.50    (#   2870:25  Unique         3.99, 4.66 A)
 &rst
  ixpk= 2870, nxpk= 25, iat=  -1,1347, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1338,1339,
 &end
#
#   87 GLY  HA+          88 VAL  MGX         4.50    (#   2888:25  Unique         3.35, 6.04 A)
 &rst
  ixpk= 2888, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1338,1339,
 igr2=1349,1350,1351,1353,1354,1355,
 &end
#
#   90 PHE  HD           88 VAL  MGX         5.50    (#   2885:25  Unique         2.06, 7.55 A )
 &rst
  ixpk= 2885, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1388,1396,
 igr2=1349,1350,1351,1353,1354,1355,
 &end
#
#   90 PHE  HD           88 VAL  MGY         5.50    (#   2903:25  Unique         2.06, 7.55 A )
 &rst
  ixpk= 2903, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1388,1396,
 igr2=1349,1350,1351,1353,1354,1355,
 &end
#
#   27 PHE  HN           24 ALA  HA          5.50    (#    734:25  Unique         2.88, 3.54 A )
 &rst
  ixpk= 734, nxpk= 25, iat= 413, 374, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   22 GLN  HA           25 ILE  QD1         4.50    (#    780:25  Single Ambig )
 &rst
  ixpk= 780, nxpk= 25, iat= 342,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 395, 396, 397,
 &end
#
#   93 ASN  HD2+         55 PRO  HB+         4.50    (#   1830:25  Double Ambig)
 &rst
  ixpk= 1830, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1430,1431,
 igr2= 860, 861,
 &end
#
#   93 ASN  HD2+         55 PRO  HD+         5.50    (#   1850:25  Double Ambig)
 &rst
  ixpk= 1850, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1430,1431,
 igr2= 854, 855,
 &end
#
#   93 ASN  HD2+         58 ILE  QD1         4.50    (#   1931:25  Unique         1.95, 6.36 A)
 &rst
  ixpk= 1931, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1430,1431,
 igr2= 922, 923, 924,
 &end
#
#   98 LYS  HE-          83 LEU  MDY         3.50    (#   2740:25  Unique         3.06, 6.06 A)
 &rst
  ixpk= 2740, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1508,1509,
 igr2=1275,1276,1277,1279,1280,1281,
 &end
#
#   14 VAL  HA           83 LEU  MDX         4.50    (#   2774:25  Unique         2.50, 4.71 A )
 &rst
  ixpk= 2774, nxpk= 25, iat= 211,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1275,1276,1277,1279,1280,1281,
 &end
#
#   90 PHE  HN           89 TYR  HA          2.80    (#   2908:25  Unique         2.12, 3.31 A)
 &rst
  ixpk= 2908, nxpk= 25, iat=1380,1361, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   97 ILE  HN           89 TYR  HA          5.50    (#   2909:25  Unique         3.68, 4.33 A )
 &rst
  ixpk= 2909, nxpk= 25, iat=1476,1361, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  25-2:2912    89 TYR  HA          4.50    (#   2912:25  Single Ambig )
 &rst
  ixpk= 2912, nxpk= 25, iat=  -1,1361, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1367,1376,1388,1396,
 &end
#
#   96 PRO  HA           89 TYR  HA          5.50    (#   2914:25  Unique         1.90, 3.16 A )
 &rst
  ixpk= 2914, nxpk= 25, iat=1472,1361, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   90 PHE  HN           96 PRO  HB+         5.50    (#   5165:25  Unique         4.04, 6.23 A)
 &rst
  ixpk= 5165, nxpk= 25, iat=1380,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1469,1470,
 &end
#
#   53 ASN  HN           54 GLY  HA+         5.50    (#   1810:25  Unique         3.64, 4.03 A)
 &rst
  ixpk= 1810, nxpk= 25, iat= 832,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 848, 849,
 &end
#
#   53 ASN  HN           54 GLY  HA-         5.50    (#   1811:25  Unique         3.64, 4.03 A)
 &rst
  ixpk= 1811, nxpk= 25, iat= 832,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 848, 849,
 &end
#
# 22 GLN O 26 ASP HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 355, 401, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05, 
      rk2=40.0, rk3=40.0, ir6=1, ialtd=1,
 &end
#
# 22 GLN O 26 ASP N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 355, 400, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 23 GLU O 27 PHE HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 370, 413, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 23 GLU O 27 PHE N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 370, 412, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 24 ALA O 28 SER HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 380, 433, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 24 ALA O 28 SER N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 380, 432, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 25 ILE O 29 MET HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 399, 444, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 25 ILE O 29 MET N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 399, 443, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 26 ASP O 30 VAL HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 411, 461, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 26 ASP O 30 VAL N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 411, 460, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 43 ILE O 47 LYS HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 692, 740, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 43 ILE O 47 LYS N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 692, 739, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 44 GLN O 48 ASP HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 709, 762, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 44 GLN O 48 ASP N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 709, 761, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 99 LEU O 64 ALA HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1534, 994, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 99 LEU O 64 ALA N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1534, 993, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 64 ALA O 101 ILE HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1002,1555, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 64 ALA O 101 ILE N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1002,1554, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 82 THR O 100 LEU HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1264,1536, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 82 THR O 100 LEU N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1264,1535, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 100 LEU O 82 THR HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1553,1252, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 100 LEU O 82 THR N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1553,1251, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 102 GLY O 80 SER HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1579,1222, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 102 GLY O 80 SER N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1579,1221, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 80 SER O 102 GLY HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1231,1574, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 80 SER O 102 GLY N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1231,1573, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
#   21 TRP  HN           21 TRP  HE1         5.50    (#      3:15  Unique         3.81, 3.99 A)
 &rst
  ixpk= 3, nxpk= 15, iat= 316, 326, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=1,
 &end
#
#   21 TRP  HD1          21 TRP  HE1         2.80    (#      4:15  Unique         2.53, 2.55 A)
 &rst
  ixpk= 4, nxpk= 15, iat= 324, 326, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:6       21 TRP  HE1         5.50    (#      6:15  Single Ambig)
 &rst
  ixpk= 6, nxpk= 15, iat=  -1, 326, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 306,1382,
 &end
#
#   91 PRO  HD+          21 TRP  HE1         5.50    (#      7:15  Unique         3.96, 5.56 A)
 &rst
  ixpk= 7, nxpk= 15, iat=  -1, 326, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1401,1402,
 &end
#
#    0 AMB  15-2:8       21 TRP  HE1         4.50    (#      8:15  Single Ambig)
 &rst
  ixpk= 8, nxpk= 15, iat=  -1, 326, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1404,1405, 809, 810,
 &end
#
#   91 PRO  HG+          21 TRP  HE1          5.50    (#     10:15  Unique         3.71, 4.91 A)
 &rst
  ixpk= 10, nxpk= 15, iat=  -1, 326, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1404,1405,
 &end
#
#    0 AMB  15-2:13     101 ILE  HN          5.50    (#     13:15  Single Ambig)
 &rst
  ixpk= 13, nxpk= 15, iat=  -1,1555, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1008,1009,1011,1012,
 &end
#
#   64 ALA  HN          101 ILE  HN          5.50    (#     15:15  Unique         3.99, 4.21 A)
 &rst
  ixpk= 15, nxpk= 15, iat= 994,1555, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   65 MET  HA          101 ILE  HN          3.50    (#     16:15  Unique         2.06, 2.32 A)
 &rst
  ixpk= 16, nxpk= 15, iat=1006,1555, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  101 ILE  HA          101 ILE  HN          3.50    (#     17:15  Unique         2.95, 2.97 A)
 &rst
  ixpk= 17, nxpk= 15, iat=1557,1555, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   66 PRO  HD+         101 ILE  HN          4.50    (#     18:15  Unique         2.62, 3.38 A)
 &rst
  ixpk= 18, nxpk= 15, iat=  -1,1555, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1022,1023,
 &end
#
#    0 AMB  15-2:19     101 ILE  HN          3.50    (#     19:15  Single Ambig)
 &rst
  ixpk= 19, nxpk= 15, iat=  -1,1555, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1559,1540,1541,
 &end
#
#    0 AMB  15-2:20     101 ILE  HN          3.50    (#     20:15  Single Ambig)
 &rst
  ixpk= 20, nxpk= 15, iat=  -1,1555, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1565,1566,1543,
 &end
#
#  101 ILE  QD1         101 ILE  HN          4.50    (#     21:15  Unique         2.63, 5.06 A)
 &rst
  ixpk= 21, nxpk= 15, iat=  -1,1555, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1568,1569,1570,
 &end
#
#   66 PRO  HD-         101 ILE  HN          4.50    (#     22:15  Unique         2.62, 3.38 A)
 &rst
  ixpk= 22, nxpk= 15, iat=  -1,1555, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1022,1023,
 &end
#
#  100 LEU  HB-         101 ILE  HN          4.50    (#     23:15  Unique         2.62, 3.51 A)
 &rst
  ixpk= 23, nxpk= 15, iat=  -1,1555, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1540,1541,
 &end
#
#    0 AMB  15-2:24     101 ILE  HN          3.50    (#     24:15  Single Ambig)
 &rst
  ixpk= 24, nxpk= 15, iat=  -1,1555, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1561,1562,1563, 998, 999,1000,
 &end
#
#   15 ILE  HN           83 LEU  HN          4.50    (#     26:15  Unique         3.59, 3.76 A)
 &rst
  ixpk= 26, nxpk= 15, iat= 225,1266, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:27      83 LEU  HN          4.50    (#     27:15  Single Ambig)
 &rst
  ixpk= 27, nxpk= 15, iat=  -1,1266, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 198,1252,
 &end
#
#   82 THR  HA           83 LEU  HN          2.80    (#     28:15  Unique         2.16, 2.23 A)
 &rst
  ixpk= 28, nxpk= 15, iat=1254,1266, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   14 VAL  HA           83 LEU  HN          3.50    (#     29:15  Unique         2.62, 2.79 A)
 &rst
  ixpk= 29, nxpk= 15, iat= 211,1266, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   83 LEU  HB+          83 LEU  HN          3.50    (#     30:15  Unique         2.68, 2.91 A)
 &rst
  ixpk= 30, nxpk= 15, iat=  -1,1266, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1270,1271,
 &end
#
#   83 LEU  HB-          83 LEU  HN          3.50    (#     31:15  Unique         2.68, 2.91 A)
 &rst
  ixpk= 31, nxpk= 15, iat=  -1,1266, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1270,1271,
 &end
#
#   82 THR  MG2          83 LEU  HN          2.80    (#     32:15  Unique         2.52, 3.38 A)
 &rst
  ixpk= 32, nxpk= 15, iat=  -1,1266, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1258,1259,1260,
 &end
#
#    0 AMB  15-2:33      83 LEU  HN          3.50    (#     33:15  Single Ambig)
 &rst
  ixpk= 33, nxpk= 15, iat=  -1,1266, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=2131,2132,2133,2135,2136,2137, 215, 216, 217, 219,
       220, 221,
 &end
#
#    0 AMB  15-2:34      83 LEU  HN          4.50    (#     34:15  Single Ambig)
 &rst
  ixpk= 34, nxpk= 15, iat=  -1,1266, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 229,1273,
 &end
#
#   65 MET  HN           59 LEU  HN          5.50    (#     36:15  Unique         4.60, 5.01 A)
 &rst
  ixpk= 36, nxpk= 15, iat=1004, 928, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   64 ALA  HA           59 LEU  HN          3.50    (#     37:15  Unique         2.56, 3.05 A)
 &rst
  ixpk= 37, nxpk= 15, iat= 996, 928, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   58 ILE  HA           59 LEU  HN          2.80    (#     38:15  Unique         2.24, 2.30 A)
 &rst
  ixpk= 38, nxpk= 15, iat= 911, 928, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:39      59 LEU  HN          4.50    (#     39:15  Single Ambig)
 &rst
  ixpk= 39, nxpk= 15, iat=  -1, 928, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 982, 913,
 &end
#
#   59 LEU  HB+          59 LEU  HN          4.50    (#     40:15  Unique         2.42, 3.18 A)
 &rst
  ixpk= 40, nxpk= 15, iat=  -1, 928, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 932, 933,
 &end
#
#   59 LEU  HB-          59 LEU  HN          3.50    (#     41:15  Unique         2.42, 3.18 A)
 &rst
  ixpk= 41, nxpk= 15, iat=  -1, 928, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 932, 933,
 &end
#
#   64 ALA  MB           59 LEU  HN          5.50    (#     42:15  Unique         4.18, 5.33 A)
 &rst
  ixpk= 42, nxpk= 15, iat=  -1, 928, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 998, 999,1000,
 &end
#
#   59 LEU  MDY          59 LEU  HN          4.50    (#     43:15  Unique         2.63, 4.22 A)
 &rst
  ixpk= 43, nxpk= 15, iat=  -1, 928, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 937, 938, 939, 941, 942, 943,
 &end
#
#   58 ILE  QG2          59 LEU  HN          3.50    (#     44:15  Unique         2.45, 3.20 A)
 &rst
  ixpk= 44, nxpk= 15, iat=  -1, 928, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 915, 916, 917,
 &end
#
#   65 MET  HB-          59 LEU  HN          5.50    (#     45:15  Unique         5.63, 5.97 A)
 &rst
  ixpk= 45, nxpk= 15, iat=  -1, 928, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1008,1009,
 &end
#
#   58 ILE  QD1          59 LEU  HN          5.50    (#     46:15  Unique         3.86, 4.82 A)
 &rst
  ixpk= 46, nxpk= 15, iat=  -1, 928, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 922, 923, 924,
 &end
#
#   89 TYR  HD           90 PHE  HN          5.50    (#     51:15  Unique         1.86, 4.30 A)
 &rst
  ixpk= 51, nxpk= 15, iat=  -1,1380, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1367,1376,
 &end
#
#   90 PHE  HD           90 PHE  HN          4.50    (#     52:15  Unique         2.45, 4.08 A)
 &rst
  ixpk= 52, nxpk= 15, iat=  -1,1380, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1388,1396,
 &end
#
#   89 TYR  HA           90 PHE  HN          3.50    (#     53:15  Unique         2.12, 3.31 A)
 &rst
  ixpk= 53, nxpk= 15, iat=1361,1380, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   90 PHE  HA           90 PHE  HN          4.50    (#     55:15  Unique         2.14, 2.84 A)
 &rst
  ixpk= 55, nxpk= 15, iat=1382,1380, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:56      90 PHE  HN          4.50    (#     56:15  Single Ambig)
 &rst
  ixpk= 56, nxpk= 15, iat=  -1,1380, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1384,1385,1401,1402,
 &end
#
#   90 PHE  HB+          90 PHE  HN          3.50    (#     57:15  Unique         2.14, 3.10 A)
 &rst
  ixpk= 57, nxpk= 15, iat=  -1,1380, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1384,1385,
 &end
#
#   96 PRO  HA           90 PHE  HN          5.50    (#     59:15  Unique         3.64, 5.19 A)
 &rst
  ixpk= 59, nxpk= 15, iat=1472,1380, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:60      64 ALA  HN          4.50    (#     60:15  Single Ambig)
 &rst
  ixpk= 60, nxpk= 15, iat=  -1, 994, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1517, 928, 947,
 &end
#
#    0 AMB  15-2:61      64 ALA  HN          4.50    (#     61:15  Single Ambig)
 &rst
  ixpk= 61, nxpk= 15, iat=  -1, 994, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1521,1522, 982,
 &end
#
#  100 LEU  HA           64 ALA  HN          4.50    (#     62:15  Unique         2.64, 2.83 A)
 &rst
  ixpk= 62, nxpk= 15, iat=1538, 994, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   63 VAL  HA           64 ALA  HN          2.80    (#     63:15  Unique         2.07, 2.15 A)
 &rst
  ixpk= 63, nxpk= 15, iat= 980, 994, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   64 ALA  MB           64 ALA  HN          2.80    (#     64:15  Unique         2.43, 3.16 A)
 &rst
  ixpk= 64, nxpk= 15, iat=  -1, 994, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 998, 999,1000,
 &end
#
#    0 AMB  15-2:65      64 ALA  HN          4.50    (#     65:15  Single Ambig)
 &rst
  ixpk= 65, nxpk= 15, iat=  -1, 994, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 984, 985, 986, 988, 989, 990,1526,1527,1528,1530,
      1531,1532, 937, 938, 939, 941, 942, 943,
 &end
#
#    0 AMB  15-2:66      64 ALA  HN          4.50    (#     66:15  Single Ambig)
 &rst
  ixpk= 66, nxpk= 15, iat=  -1, 994, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1543, 932, 933,
 &end
#
#    0 AMB  15-2:67       0 AMB  15-1:67     4.50    (#     67:15  Double Ambig)
 &rst
  ixpk= 67, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1266, 978,
 igr2= 225, 994,
 &end
#
#    0 AMB  15-2:68       0 AMB  15-1:68     2.80    (#     68:15  Double Ambig)
 &rst
  ixpk= 68, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.88, r4= 5.63,
 igr1= 984, 985, 986, 988, 989, 990, 235, 236, 937, 938,
       939, 941, 942, 943,
 igr2= 994, 225,
 &end
#
#    0 AMB  15-2:69       0 AMB  15-1:69     3.50    (#     69:15  Double Ambig)
 &rst
  ixpk= 69, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 996,1287,
 igr2= 994, 225,
 &end
#
#    0 AMB  15-2:70      15 ILE  HN          4.50    (#     70:15  Single Ambig)
 &rst
  ixpk= 70, nxpk= 15, iat=  -1, 225, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1270,1271, 213,
 &end
#
#   15 ILE  HB           15 ILE  HN          3.50    (#     71:15  Unique         2.36, 2.47 A)
 &rst
  ixpk= 71, nxpk= 15, iat= 229, 225, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:72       0 AMB  15-1:72     2.80    (#     72:15  Double Ambig)
 &rst
  ixpk= 72, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1=1482,1483,1484, 231, 232, 233,1848,1849,1850,1852,
      1853,1854,
 igr2= 994, 225,
 &end
#
#   14 VAL  HA           15 ILE  HN          2.80    (#     73:15  Unique         2.17, 2.21 A)
 &rst
  ixpk= 73, nxpk= 15, iat= 211, 225, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   15 ILE  HA           15 ILE  HN          3.50    (#     74:15  Unique         2.97, 2.97 A)
 &rst
  ixpk= 74, nxpk= 15, iat= 227, 225, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:75      15 ILE  HN          4.50    (#     75:15  Single Ambig)
 &rst
  ixpk= 75, nxpk= 15, iat=  -1, 225, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1304, 209,
 &end
#
#  132 LEU  HA          134 ALA  HN          5.50    (#     76:15  Unique         3.73, 3.89 A)
 &rst
  ixpk= 76, nxpk= 15, iat=2005,2036, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:78     134 ALA  HN          4.50    (#     78:15  Single Ambig)
 &rst
  ixpk= 78, nxpk= 15, iat=  -1,2036, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1=1988,1989,2028,2029,2030,
 &end
#
#    0 AMB  15-2:79     134 ALA  HN          4.50    (#     79:15  Single Ambig)
 &rst
  ixpk= 79, nxpk= 15, iat=  -1,2036, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1986,1969,
 &end
#
#  126 GLU  HN          125 GLU  HN          4.50    (#     80:15  Unique         2.73, 2.82 A)
 &rst
  ixpk= 80, nxpk= 15, iat=1899,1884, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:81     125 GLU  HN          4.50    (#     81:15  Single Ambig)
 &rst
  ixpk= 81, nxpk= 15, iat=  -1,1884, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1869,1914,
 &end
#
#  124 GLU  HA          125 GLU  HN          2.80    (#     82:15  Unique         2.04, 2.11 A)
 &rst
  ixpk= 82, nxpk= 15, iat=1871,1884, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  125 GLU  HA          125 GLU  HN          3.50    (#     84:15  Unique         2.75, 2.79 A)
 &rst
  ixpk= 84, nxpk= 15, iat=1886,1884, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  125 GLU  HG+         125 GLU  HN          3.50    (#     85:15  Unique         2.21, 2.93 A)
 &rst
  ixpk= 85, nxpk= 15, iat=  -1,1884, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1891,1892,
 &end
#
#  125 GLU  HB+         125 GLU  HN          2.80    (#     86:15  Unique         2.42, 3.05 A)
 &rst
  ixpk= 86, nxpk= 15, iat=  -1,1884, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1888,1889,
 &end
#
#  106 ALA  HN          105 ALA  HN          5.50    (#     88:15  Unique         4.17, 4.23 A)
 &rst
  ixpk= 88, nxpk= 15, iat=1621,1611, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   67 HIS  HD2         105 ALA  HN          5.50    (#     89:15  Unique         3.89, 4.36 A)
 &rst
  ixpk= 89, nxpk= 15, iat=1048,1611, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  105 ALA  HA          105 ALA  HN          4.50    (#     90:15  Unique         2.91, 2.93 A)
 &rst
  ixpk= 90, nxpk= 15, iat=1613,1611, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  104 SER  HA          105 ALA  HN          2.80    (#     92:15  Unique         2.32, 2.35 A)
 &rst
  ixpk= 92, nxpk= 15, iat=1602,1611, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  104 SER  HB-         105 ALA  HN          4.50    (#     93:15  Unique         2.87, 3.49 A)
 &rst
  ixpk= 93, nxpk= 15, iat=  -1,1611, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1604,1605,
 &end
#
#  105 ALA  MB          105 ALA  HN          3.50    (#     94:15  Unique         2.74, 3.36 A)
 &rst
  ixpk= 94, nxpk= 15, iat=  -1,1611, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1615,1616,1617,
 &end
#
#   74 ALA  MB          105 ALA  HN          3.50    (#     95:15  Unique         2.29, 2.89 A)
 &rst
  ixpk= 95, nxpk= 15, iat=  -1,1611, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1137,1138,1139,
 &end
#
#    0 AMB  15-2:96     105 ALA  HN          5.50    (#     96:15  Single Ambig)
 &rst
  ixpk= 96, nxpk= 15, iat=  -1,1611, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1=1590,1591,1592,1594,1595,1596, 601, 602, 603,
 &end
#
#  135 SER  HN          134 ALA  HN          5.50    (#     97:15  Unique         3.78, 4.38 A)
 &rst
  ixpk= 97, nxpk= 15, iat=2046,2036, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  132 LEU  HN          134 ALA  HN          5.50    (#     98:15  Unique         4.17, 4.30 A)
 &rst
  ixpk= 98, nxpk= 15, iat=2003,2036, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  133 THR  HN          134 ALA  HN          2.80    (#     99:15  Unique         2.05, 2.20 A)
 &rst
  ixpk= 99, nxpk= 15, iat=2022,2036, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:100    134 ALA  HN          3.50    (#    100:15  Single Ambig)
 &rst
  ixpk= 100, nxpk= 15, iat=  -1,2036, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=2024,2026,
 &end
#
#  134 ALA  HA          134 ALA  HN          3.50    (#    101:15  Unique         2.80, 2.84 A)
 &rst
  ixpk= 101, nxpk= 15, iat=2038,2036, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:102    134 ALA  HN          5.50    (#    102:15  Single Ambig)
 &rst
  ixpk= 102, nxpk= 15, iat=  -1,2036, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1=1270,1271,2007,2008,1991,
 &end
#
#  134 ALA  MB          134 ALA  HN          2.80    (#    103:15  Unique         2.37, 2.87 A)
 &rst
  ixpk= 103, nxpk= 15, iat=  -1,2036, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=2040,2041,2042,
 &end
#
#   83 LEU  MDX         134 ALA  HN          3.50    (#    104:15  Unique         2.48, 4.58 A)
 &rst
  ixpk= 104, nxpk= 15, iat=  -1,2036, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1275,1276,1277,1279,1280,1281,
 &end
#
#    0 AMB  15-2:105    134 ALA  HN          4.50    (#    105:15  Single Ambig)
 &rst
  ixpk= 105, nxpk= 15, iat=  -1,2036, r1= 0.00, r2= 1.80, r3= 7.07, r4= 7.82,
 igr1=2176,2177,2178,1993,1994,1995,1997,1998,1999, 215,
       216, 217, 219, 220, 221,
 &end
#
#  104 SER  HB+         105 ALA  HN          5.50    (#    106:15  Unique         2.87, 3.49 A)
 &rst
  ixpk= 106, nxpk= 15, iat=  -1,1611, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1604,1605,
 &end
#
#   95 GLU  HN           94 ASP  HN          4.50    (#    107:15  Unique         2.15, 2.67 A)
 &rst
  ixpk= 107, nxpk= 15, iat=1447,1435, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   93 ASN  HA           94 ASP  HN          2.80    (#    108:15  Unique         2.23, 2.48 A)
 &rst
  ixpk= 108, nxpk= 15, iat=1423,1435, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   94 ASP  HA           94 ASP  HN          3.50    (#    110:15  Unique         2.12, 2.82 A)
 &rst
  ixpk= 110, nxpk= 15, iat=1437,1435, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   94 ASP  HB-          94 ASP  HN          4.50    (#    111:15  Unique         2.39, 2.56 A)
 &rst
  ixpk= 111, nxpk= 15, iat=  -1,1435, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1439,1440,
 &end
#
#   94 ASP  HB+          94 ASP  HN          4.50    (#    112:15  Unique         2.39, 2.56 A)
 &rst
  ixpk= 112, nxpk= 15, iat=  -1,1435, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1439,1440,
 &end
#
#   93 ASN  HN           94 ASP  HN          5.50    (#    113:15  Unique         2.75, 4.51 A)
 &rst
  ixpk= 113, nxpk= 15, iat=1421,1435, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   83 LEU  HN           84 LEU  HN          5.50    (#    115:15  Unique         4.02, 4.34 A)
 &rst
  ixpk= 115, nxpk= 15, iat=1266,1285, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   85 GLU  HN           84 LEU  HN          5.50    (#    116:15  Unique         3.30, 3.89 A)
 &rst
  ixpk= 116, nxpk= 15, iat=1304,1285, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:117     84 LEU  HN          2.80    (#    117:15  Single Ambig)
 &rst
  ixpk= 117, nxpk= 15, iat=  -1,1285, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1268,1287,
 &end
#
#   98 LYS  HA           84 LEU  HN          4.50    (#    118:15  Unique         1.94, 2.31 A)
 &rst
  ixpk= 118, nxpk= 15, iat=1497,1285, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   98 LYS  HB+          84 LEU  HN          5.50    (#    119:15  Unique         2.41, 3.77 A)
 &rst
  ixpk= 119, nxpk= 15, iat=  -1,1285, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1499,1500,
 &end
#
#   83 LEU  HB+          84 LEU  HN          4.50    (#    120:15  Unique         3.81, 4.18 A)
 &rst
  ixpk= 120, nxpk= 15, iat=  -1,1285, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1270,1271,
 &end
#
#   84 LEU  HB-          84 LEU  HN          3.50    (#    121:15  Unique         2.42, 3.05 A)
 &rst
  ixpk= 121, nxpk= 15, iat=  -1,1285, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1289,1290,
 &end
#
#   98 LYS  HB-          84 LEU  HN          3.50    (#    122:15  Unique         2.41, 3.77 A)
 &rst
  ixpk= 122, nxpk= 15, iat=  -1,1285, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1499,1500,
 &end
#
#   84 LEU  HB+          84 LEU  HN          3.50    (#    123:15  Unique         2.42, 3.05 A)
 &rst
  ixpk= 123, nxpk= 15, iat=  -1,1285, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1289,1290,
 &end
#
#   83 LEU  HG           84 LEU  HN          3.50    (#    124:15  Unique         2.26, 2.89 A)
 &rst
  ixpk= 124, nxpk= 15, iat=1273,1285, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   83 LEU  HB-          84 LEU  HN          4.50    (#    125:15  Unique         3.81, 4.18 A)
 &rst
  ixpk= 125, nxpk= 15, iat=  -1,1285, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1270,1271,
 &end
#
#   83 LEU  MDY          84 LEU  HN          2.80    (#    126:15  Unique         2.30, 4.50 A)
 &rst
  ixpk= 126, nxpk= 15, iat=  -1,1285, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1275,1276,1277,1279,1280,1281,
 &end
#
#   84 LEU  MDX          84 LEU  HN          4.50    (#    127:15  Unique         2.37, 4.87 A)
 &rst
  ixpk= 127, nxpk= 15, iat=  -1,1285, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1294,1295,1296,1298,1299,1300,
 &end
#
#    0 AMB  15-2:129     12 ILE  HN          5.50    (#    129:15  Single Ambig)
 &rst
  ixpk= 129, nxpk= 15, iat=  -1, 179, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 198,1233,
 &end
#
#   11 SER  HN           12 ILE  HN          3.50    (#    130:15  Unique         2.71, 2.82 A)
 &rst
  ixpk= 130, nxpk= 15, iat= 168, 179, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   12 ILE  HA           12 ILE  HN          3.50    (#    131:15  Unique         2.91, 2.96 A)
 &rst
  ixpk= 131, nxpk= 15, iat= 181, 179, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   11 SER  HA           12 ILE  HN          4.50    (#    132:15  Unique         3.20, 3.41 A)
 &rst
  ixpk= 132, nxpk= 15, iat= 170, 179, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   11 SER  HB+          12 ILE  HN          5.50    (#    133:15  Unique         3.47, 4.25 A)
 &rst
  ixpk= 133, nxpk= 15, iat=  -1, 179, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 172, 173,
 &end
#
#   12 ILE  HB           12 ILE  HN          2.80    (#    134:15  Unique         2.34, 2.44 A)
 &rst
  ixpk= 134, nxpk= 15, iat= 183, 179, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   12 ILE  QD1          12 ILE  HN          4.50    (#    135:15  Unique         2.68, 4.52 A)
 &rst
  ixpk= 135, nxpk= 15, iat=  -1, 179, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 192, 193, 194,
 &end
#
#   10 SER  HA           12 ILE  HN          4.50    (#    136:15  Unique         3.22, 3.48 A)
 &rst
  ixpk= 136, nxpk= 15, iat= 159, 179, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   12 ILE  QG2          12 ILE  HN          3.50    (#    137:15  Unique         3.77, 4.41 A)
 &rst
  ixpk= 137, nxpk= 15, iat=  -1, 179, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 185, 186, 187,
 &end
#
#   57 TYR  HN           58 ILE  HN          4.50    (#    139:15  Unique         3.76, 4.15 A)
 &rst
  ixpk= 139, nxpk= 15, iat= 888, 909, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   64 ALA  HA           58 ILE  HN          5.50    (#    140:15  Unique         4.32, 4.51 A)
 &rst
  ixpk= 140, nxpk= 15, iat= 996, 909, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   58 ILE  HA           58 ILE  HN          3.50    (#    142:15  Unique         2.91, 2.93 A)
 &rst
  ixpk= 142, nxpk= 15, iat= 911, 909, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   58 ILE  HB           58 ILE  HN          2.80    (#    143:15  Unique         2.69, 2.78 A)
 &rst
  ixpk= 143, nxpk= 15, iat= 913, 909, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:144     58 ILE  HN          5.50    (#    144:15  Single Ambig)
 &rst
  ixpk= 144, nxpk= 15, iat=  -1, 909, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 860, 861, 932, 933,
 &end
#
#   58 ILE  HG1-         58 ILE  HN          3.50    (#    145:15  Unique         3.13, 3.94 A)
 &rst
  ixpk= 145, nxpk= 15, iat=  -1, 909, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 919, 920,
 &end
#
#   59 LEU  MDY          58 ILE  HN          3.50    (#    146:15  Unique         3.26, 5.00 A)
 &rst
  ixpk= 146, nxpk= 15, iat=  -1, 909, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 937, 938, 939, 941, 942, 943,
 &end
#
#   58 ILE  QG2          58 ILE  HN          4.50    (#    147:15  Unique         4.35, 4.75 A)
 &rst
  ixpk= 147, nxpk= 15, iat=  -1, 909, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 915, 916, 917,
 &end
#
#   58 ILE  QD1          58 ILE  HN          4.50    (#    148:15  Unique         4.26, 5.13 A)
 &rst
  ixpk= 148, nxpk= 15, iat=  -1, 909, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 922, 923, 924,
 &end
#
#   57 TYR  HA           58 ILE  HN          3.50    (#    149:15  Unique         2.13, 2.22 A)
 &rst
  ixpk= 149, nxpk= 15, iat= 890, 909, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:150    114 ALA  HN          5.50    (#    150:15  Single Ambig)
 &rst
  ixpk= 150, nxpk= 15, iat=  -1,1719, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1733,   8,   9,
 &end
#
#  103 LEU  MDX         114 ALA  HN          5.50    (#    151:15  Unique         4.07, 5.28 A)
 &rst
  ixpk= 151, nxpk= 15, iat=  -1,1719, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1590,1591,1592,1594,1595,1596,
 &end
#
#  116 GLN  HN          114 ALA  HN          5.50    (#    152:15  Unique         4.00, 4.05 A)
 &rst
  ixpk= 152, nxpk= 15, iat=1748,1719, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  113 GLY  HN          114 ALA  HN          3.50    (#    153:15  Unique         2.70, 2.80 A)
 &rst
  ixpk= 153, nxpk= 15, iat=1712,1719, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  110 SER  HA          114 ALA  HN          5.50    (#    154:15  Unique         3.84, 4.03 A)
 &rst
  ixpk= 154, nxpk= 15, iat=1667,1719, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:155    114 ALA  HN          3.50    (#    155:15  Single Ambig)
 &rst
  ixpk= 155, nxpk= 15, iat=  -1,1719, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1714,1715,1678,
 &end
#
#  114 ALA  HA          114 ALA  HN          3.50    (#    156:15  Unique         2.86, 2.87 A)
 &rst
  ixpk= 156, nxpk= 15, iat=1721,1719, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  115 ILE  HG1-        114 ALA  HN          5.50    (#    157:15  Unique         4.78, 5.50 A)
 &rst
  ixpk= 157, nxpk= 15, iat=  -1,1719, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1739,1740,
 &end
#
#  114 ALA  MB          114 ALA  HN          2.80    (#    159:15  Unique         2.32, 2.83 A)
 &rst
  ixpk= 159, nxpk= 15, iat=  -1,1719, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1723,1724,1725,
 &end
#
#  112 ILE  QG2         114 ALA  HN          5.50    (#    160:15  Unique         5.22, 6.08 A)
 &rst
  ixpk= 160, nxpk= 15, iat=  -1,1719, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1699,1700,1701,
 &end
#
#  103 LEU  MDY         114 ALA  HN          5.50    (#    161:15  Unique         4.07, 5.28 A)
 &rst
  ixpk= 161, nxpk= 15, iat=  -1,1719, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1590,1591,1592,1594,1595,1596,
 &end
#
#   90 PHE  HN           89 TYR  HN          5.50    (#    163:15  Unique         1.67, 3.11 A)
 &rst
  ixpk= 163, nxpk= 15, iat=1380,1359, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   89 TYR  HD           89 TYR  HN          5.50    (#    164:15  Unique         3.27, 4.61 A)
 &rst
  ixpk= 164, nxpk= 15, iat=  -1,1359, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1367,1376,
 &end
#
#   89 TYR  HA           89 TYR  HN          3.50    (#    165:15  Unique         2.20, 2.71 A)
 &rst
  ixpk= 165, nxpk= 15, iat=1361,1359, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   89 TYR  HB+          89 TYR  HN          3.50    (#    167:15  Unique         2.09, 2.91 A)
 &rst
  ixpk= 167, nxpk= 15, iat=  -1,1359, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1363,1364,
 &end
#
#   89 TYR  HB-          89 TYR  HN          3.50    (#    168:15  Unique         2.09, 2.91 A)
 &rst
  ixpk= 168, nxpk= 15, iat=  -1,1359, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1363,1364,
 &end
#
#   88 VAL  HB           89 TYR  HN          4.50    (#    169:15  Unique         2.04, 3.43 A)
 &rst
  ixpk= 169, nxpk= 15, iat=1347,1359, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   88 VAL  MGY          89 TYR  HN          3.50    (#    170:15  Unique         1.89, 4.35 A)
 &rst
  ixpk= 170, nxpk= 15, iat=  -1,1359, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1349,1350,1351,1353,1354,1355,
 &end
#
#   64 ALA  MB           58 ILE  HN          5.50    (#    171:15  Unique         5.09, 6.24 A)
 &rst
  ixpk= 171, nxpk= 15, iat=  -1, 909, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 998, 999,1000,
 &end
#
#    0 AMB  15-2:172    114 ALA  HN          4.50    (#    172:15  Single Ambig)
 &rst
  ixpk= 172, nxpk= 15, iat=  -1,1719, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1190,1191,1192,1769,1770,1771,
 &end
#
#    4 SER  HN            3 LEU  HN          3.50    (#    176:15  Unique         2.56, 2.87 A)
 &rst
  ixpk= 176, nxpk= 15, iat=  64,  45, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    6 TYR  HD            3 LEU  HN          5.50    (#    177:15  Unique         4.66, 7.25 A)
 &rst
  ixpk= 177, nxpk= 15, iat=  -1,  45, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  95, 104,
 &end
#
#    2 ARG  HA            3 LEU  HN          2.80    (#    178:15  Unique         2.05, 2.15 A)
 &rst
  ixpk= 178, nxpk= 15, iat=  23,  45, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    1 MET  HA            3 LEU  HN          5.50    (#    179:15  Unique         5.36, 5.54 A)
 &rst
  ixpk= 179, nxpk= 15, iat=   6,  45, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    3 LEU  HA            3 LEU  HN          3.50    (#    180:15  Unique         2.72, 2.79 A)
 &rst
  ixpk= 180, nxpk= 15, iat=  47,  45, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    3 LEU  HB+           3 LEU  HN          2.80    (#    181:15  Unique         2.23, 2.95 A)
 &rst
  ixpk= 181, nxpk= 15, iat=  -1,  45, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=  49,  50,
 &end
#
#    3 LEU  HB-           3 LEU  HN          2.80    (#    182:15  Unique         2.23, 2.95 A)
 &rst
  ixpk= 182, nxpk= 15, iat=  -1,  45, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=  49,  50,
 &end
#
#  117 ALA  MB            3 LEU  HN          4.50    (#    183:15  Unique         3.80, 5.45 A)
 &rst
  ixpk= 183, nxpk= 15, iat=  -1,  45, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1769,1770,1771,
 &end
#
#    3 LEU  HG            3 LEU  HN          4.50    (#    184:15  Unique         2.15, 3.72 A)
 &rst
  ixpk= 184, nxpk= 15, iat=  52,  45, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    3 LEU  MDX           3 LEU  HN          4.50    (#    185:15  Unique         2.05, 3.90 A)
 &rst
  ixpk= 185, nxpk= 15, iat=  -1,  45, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=  54,  55,  56,  58,  59,  60,
 &end
#
#   82 THR  HN          100 LEU  HN          4.50    (#    186:15  Unique         2.74, 2.89 A)
 &rst
  ixpk= 186, nxpk= 15, iat=1252,1536, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   99 LEU  HN          100 LEU  HN          5.50    (#    187:15  Unique         4.28, 4.44 A)
 &rst
  ixpk= 187, nxpk= 15, iat=1517,1536, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:188    100 LEU  HN          3.50    (#    188:15  Single Ambig)
 &rst
  ixpk= 188, nxpk= 15, iat=  -1,1536, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1268,1254,
 &end
#
#   82 THR  HB          100 LEU  HN          4.50    (#    189:15  Unique         2.94, 3.23 A)
 &rst
  ixpk= 189, nxpk= 15, iat=1256,1536, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   99 LEU  HB+         100 LEU  HN          4.50    (#    190:15  Unique         3.03, 4.13 A)
 &rst
  ixpk= 190, nxpk= 15, iat=  -1,1536, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1521,1522,
 &end
#
#  100 LEU  HB+         100 LEU  HN          3.50    (#    191:15  Unique         2.70, 3.43 A)
 &rst
  ixpk= 191, nxpk= 15, iat=  -1,1536, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1540,1541,
 &end
#
#    0 AMB  15-2:192    100 LEU  HN          3.50    (#    192:15  Single Ambig)
 &rst
  ixpk= 192, nxpk= 15, iat=  -1,1536, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1543,1565,1566,
 &end
#
#   99 LEU  HG          100 LEU  HN          4.50    (#    193:15  Unique         2.54, 3.86 A)
 &rst
  ixpk= 193, nxpk= 15, iat=1524,1536, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  100 LEU  HB-         100 LEU  HN          3.50    (#    194:15  Unique         2.70, 3.43 A)
 &rst
  ixpk= 194, nxpk= 15, iat=  -1,1536, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1540,1541,
 &end
#
#    0 AMB  15-2:195    100 LEU  HN          2.80    (#    195:15  Single Ambig)
 &rst
  ixpk= 195, nxpk= 15, iat=  -1,1536, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1526,1527,1528,1530,1531,1532,1545,1546,1547,1549,
      1550,1551,
 &end
#
#    0 AMB  15-2:196     98 LYS  HN          5.50    (#    196:15  Single Ambig)
 &rst
  ixpk= 196, nxpk= 15, iat=  -1,1495, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1476, 971,
 &end
#
#   98 LYS  HA           98 LYS  HN          4.50    (#    197:15  Unique         2.77, 2.81 A)
 &rst
  ixpk= 197, nxpk= 15, iat=1497,1495, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   75 LEU  HN           74 ALA  HN          5.50    (#    199:15  Unique         4.58, 4.60 A)
 &rst
  ixpk= 199, nxpk= 15, iat=1143,1133, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   72 CYS  HN           74 ALA  HN          4.50    (#    200:15  Unique         3.58, 3.59 A)
 &rst
  ixpk= 200, nxpk= 15, iat=1115,1133, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   73 GLY  HN           74 ALA  HN          2.80    (#    202:15  Unique         1.89, 1.95 A)
 &rst
  ixpk= 202, nxpk= 15, iat=1126,1133, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   42 TYR  HD           74 ALA  HN          4.50    (#    203:15  Unique         2.73, 4.76 A)
 &rst
  ixpk= 203, nxpk= 15, iat=  -1,1133, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 662, 671,
 &end
#
#   70 PRO  HA           74 ALA  HN          3.50    (#    205:15  Unique         3.27, 3.36 A)
 &rst
  ixpk= 205, nxpk= 15, iat=1096,1133, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   71 GLU  HA           74 ALA  HN          5.50    (#    206:15  Unique         4.21, 4.47 A)
 &rst
  ixpk= 206, nxpk= 15, iat=1102,1133, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   74 ALA  HA           74 ALA  HN          4.50    (#    207:15  Unique         2.92, 2.93 A)
 &rst
  ixpk= 207, nxpk= 15, iat=1135,1133, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   70 PRO  HB+          74 ALA  HN          5.50    (#    209:15  Unique         4.72, 5.08 A)
 &rst
  ixpk= 209, nxpk= 15, iat=  -1,1133, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1093,1094,
 &end
#
#    0 AMB  15-2:210     74 ALA  HN          5.50    (#    210:15  Single Ambig)
 &rst
  ixpk= 210, nxpk= 15, iat=  -1,1133, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1150,1147,1148,
 &end
#
#   74 ALA  MB           74 ALA  HN          2.80    (#    211:15  Unique         2.45, 2.93 A)
 &rst
  ixpk= 211, nxpk= 15, iat=  -1,1133, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1137,1138,1139,
 &end
#
#   82 THR  HA           82 THR  HN          3.50    (#    212:15  Unique         2.94, 2.97 A)
 &rst
  ixpk= 212, nxpk= 15, iat=1254,1252, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   82 THR  HB           82 THR  HN          3.50    (#    214:15  Unique         2.53, 2.70 A)
 &rst
  ixpk= 214, nxpk= 15, iat=1256,1252, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   99 LEU  HN           98 LYS  HN          2.80    (#    215:15  Unique         2.37, 2.79 A)
 &rst
  ixpk= 215, nxpk= 15, iat=1517,1495, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   97 ILE  HA           98 LYS  HN          2.80    (#    216:15  Unique         1.91, 2.17 A)
 &rst
  ixpk= 216, nxpk= 15, iat=1478,1495, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   97 ILE  QG2          98 LYS  HN          3.50    (#    217:15  Unique         3.06, 4.27 A)
 &rst
  ixpk= 217, nxpk= 15, iat=  -1,1495, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1482,1483,1484,
 &end
#
#   62 GLY  HA+          98 LYS  HN          3.50    (#    218:15  Unique         2.74, 3.33 A)
 &rst
  ixpk= 218, nxpk= 15, iat=  -1,1495, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 973, 974,
 &end
#
#   98 LYS  HB-          98 LYS  HN          3.50    (#    219:15  Unique         2.27, 3.08 A)
 &rst
  ixpk= 219, nxpk= 15, iat=  -1,1495, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1499,1500,
 &end
#
#   42 TYR  HB-          74 ALA  HN          5.50    (#    220:15  Unique         4.00, 4.98 A)
 &rst
  ixpk= 220, nxpk= 15, iat=  -1,1133, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 658, 659,
 &end
#
#   75 LEU  MDY          74 ALA  HN          5.50    (#    221:15  Unique         4.98, 6.78 A)
 &rst
  ixpk= 221, nxpk= 15, iat=  -1,1133, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1152,1153,1154,1156,1157,1158,
 &end
#
#  100 LEU  HN           82 THR  HN          4.50    (#    222:15  Unique         2.74, 2.89 A)
 &rst
  ixpk= 222, nxpk= 15, iat=1536,1252, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   81 LEU  HA           82 THR  HN          2.80    (#    223:15  Unique         2.17, 2.28 A)
 &rst
  ixpk= 223, nxpk= 15, iat=1235,1252, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:224     82 THR  HN          3.50    (#    224:15  Single Ambig)
 &rst
  ixpk= 224, nxpk= 15, iat=  -1,1252, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1237,1238,1540,1541,
 &end
#
#  100 LEU  HB-          82 THR  HN          5.50    (#    225:15  Unique         3.37, 4.31 A)
 &rst
  ixpk= 225, nxpk= 15, iat=  -1,1252, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1540,1541,
 &end
#
#    0 AMB  15-2:226     82 THR  HN          4.50    (#    226:15  Single Ambig)
 &rst
  ixpk= 226, nxpk= 15, iat=  -1,1252, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1242,1243,1244,1246,1247,1248,1526,1527,1528,1530,
      1531,1532,
 &end
#
#  101 ILE  HG1+         82 THR  HN          4.50    (#    228:15  Unique         3.66, 4.58 A)
 &rst
  ixpk= 228, nxpk= 15, iat=  -1,1252, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1565,1566,
 &end
#
#    0 AMB  15-2:229     82 THR  HN          3.50    (#    229:15  Single Ambig)
 &rst
  ixpk= 229, nxpk= 15, iat=  -1,1252, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1545,1546,1547,1549,1550,1551,1258,1259,1260,
 &end
#
#  110 SER  HN          111 HIS  HN          4.50    (#    233:15  Unique         2.54, 2.61 A)
 &rst
  ixpk= 233, nxpk= 15, iat=1665,1676, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  112 ILE  HN          111 HIS  HN          4.50    (#    235:15  Unique         2.76, 2.80 A)
 &rst
  ixpk= 235, nxpk= 15, iat=1693,1676, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  108 ALA  HA          111 HIS  HN          4.50    (#    236:15  Unique         3.13, 3.25 A)
 &rst
  ixpk= 236, nxpk= 15, iat=1645,1676, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  110 SER  HB+         111 HIS  HN          4.50    (#    237:15  Unique         2.68, 3.31 A)
 &rst
  ixpk= 237, nxpk= 15, iat=  -1,1676, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1669,1670,
 &end
#
#  111 HIS  HA          111 HIS  HN          4.50    (#    238:15  Unique         2.83, 2.85 A)
 &rst
  ixpk= 238, nxpk= 15, iat=1678,1676, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  111 HIS  HB+         111 HIS  HN          3.50    (#    239:15  Unique         2.04, 2.54 A)
 &rst
  ixpk= 239, nxpk= 15, iat=  -1,1676, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1680,1681,
 &end
#
#  111 HIS  HB-         111 HIS  HN          3.50    (#    240:15  Unique         2.04, 2.54 A)
 &rst
  ixpk= 240, nxpk= 15, iat=  -1,1676, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1680,1681,
 &end
#
#  105 ALA  MB          111 HIS  HN          4.50    (#    241:15  Unique         2.51, 3.16 A)
 &rst
  ixpk= 241, nxpk= 15, iat=  -1,1676, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1615,1616,1617,
 &end
#
#  109 ASP  HA          111 HIS  HN          5.50    (#    242:15  Unique         4.14, 4.22 A)
 &rst
  ixpk= 242, nxpk= 15, iat=1655,1676, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   34 ASP  HN           33 LEU  HN          3.50    (#    243:15  Unique         2.74, 2.76 A)
 &rst
  ixpk= 243, nxpk= 15, iat= 526, 507, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   33 LEU  HB-          33 LEU  HN          2.80    (#    245:15  Unique         2.25, 2.45 A)
 &rst
  ixpk= 245, nxpk= 15, iat=  -1, 507, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 511, 512,
 &end
#
#   38 ILE  QD1          33 LEU  HN          3.50    (#    246:15  Unique         2.60, 3.62 A)
 &rst
  ixpk= 246, nxpk= 15, iat=  -1, 507, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 608, 609, 610,
 &end
#
#    0 AMB  15-2:247     33 LEU  HN          3.50    (#    247:15  Single Ambig)
 &rst
  ixpk= 247, nxpk= 15, iat=  -1, 507, r1= 0.00, r2= 1.80, r3= 4.84, r4= 5.59,
 igr1= 514, 516, 517, 518, 520, 521, 522,
 &end
#
#   32 LEU  HB+          33 LEU  HN          3.50    (#    248:15  Unique         2.44, 3.10 A)
 &rst
  ixpk= 248, nxpk= 15, iat=  -1, 507, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 492, 493,
 &end
#
#    3 LEU  HN            2 ARG  HN          5.50    (#    249:15  Unique         4.26, 4.35 A)
 &rst
  ixpk= 249, nxpk= 15, iat=  45,  21, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    1 MET  HN            2 ARG  HN          5.50    (#    250:15  Unique         4.18, 5.54 A)
 &rst
  ixpk= 250, nxpk= 15, iat=   2,  21, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    5 ASP  HN            2 ARG  HN          5.50    (#    251:15  Unique         4.61, 4.81 A)
 &rst
  ixpk= 251, nxpk= 15, iat=  75,  21, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    2 ARG  HA            2 ARG  HN          3.50    (#    253:15  Unique         2.86, 2.91 A)
 &rst
  ixpk= 253, nxpk= 15, iat=  23,  21, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    1 MET  HA            2 ARG  HN          2.80    (#    254:15  Unique         2.20, 2.36 A)
 &rst
  ixpk= 254, nxpk= 15, iat=   6,  21, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    2 ARG  HD+           2 ARG  HN          5.50    (#    255:15  Unique         2.36, 2.82 A)
 &rst
  ixpk= 255, nxpk= 15, iat=  -1,  21, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  31,  32,
 &end
#
#    5 ASP  HB+           2 ARG  HN          4.50    (#    256:15  Unique         4.08, 4.52 A)
 &rst
  ixpk= 256, nxpk= 15, iat=  -1,  21, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=  79,  80,
 &end
#
#    5 ASP  HB-           2 ARG  HN          5.50    (#    257:15  Unique         4.08, 4.52 A)
 &rst
  ixpk= 257, nxpk= 15, iat=  -1,  21, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  79,  80,
 &end
#
#    1 MET  HG+           2 ARG  HN          4.50    (#    258:15  Unique         2.04, 3.23 A)
 &rst
  ixpk= 258, nxpk= 15, iat=  -1,  21, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=  11,  12,
 &end
#
#    2 ARG  HB-           2 ARG  HN          3.50    (#    259:15  Unique         2.18, 2.94 A)
 &rst
  ixpk= 259, nxpk= 15, iat=  -1,  21, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=  25,  26,
 &end
#
#    1 MET  HB-           2 ARG  HN          3.50    (#    260:15  Unique         2.50, 3.77 A)
 &rst
  ixpk= 260, nxpk= 15, iat=  -1,  21, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=   8,   9,
 &end
#
#    0 AMB  15-2:261      2 ARG  HN          2.80    (#    261:15  Single Ambig)
 &rst
  ixpk= 261, nxpk= 15, iat=  -1,  21, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=  25,  26,  28,  29,
 &end
#
#   75 LEU  HA           75 LEU  HN          3.50    (#    262:15  Unique         2.99, 2.99 A)
 &rst
  ixpk= 262, nxpk= 15, iat=1145,1143, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   38 ILE  HA           75 LEU  HN          3.50    (#    263:15  Unique         2.58, 2.74 A)
 &rst
  ixpk= 263, nxpk= 15, iat= 597,1143, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:264      0 AMB  15-1:264    2.80    (#    264:15  Double Ambig)
 &rst
  ixpk= 264, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1135, 509,
 igr2=1143, 507,
 &end
#
#   75 LEU  HB+          75 LEU  HN          2.80    (#    265:15  Unique         2.58, 3.18 A)
 &rst
  ixpk= 265, nxpk= 15, iat=  -1,1143, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1147,1148,
 &end
#
#    0 AMB  15-2:266      0 AMB  15-1:266    2.80    (#    266:15  Double Ambig)
 &rst
  ixpk= 266, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.11, r4= 4.86,
 igr1= 511, 512,1147,1148,1150,
 igr2= 507,1143,
 &end
#
#    0 AMB  15-2:267      0 AMB  15-1:267    2.80    (#    267:15  Double Ambig)
 &rst
  ixpk= 267, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.35, r4= 5.10,
 igr1= 492, 493,1137,1138,1139, 605, 606,
 igr2= 507,1143,
 &end
#
#    0 AMB  15-2:268      0 AMB  15-1:268    3.50    (#    268:15  Double Ambig)
 &rst
  ixpk= 268, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.14, r4= 5.89,
 igr1= 605, 606, 601, 602, 603,
 igr2= 507,1143,
 &end
#
#   17 SER  HA           16 HIS  HN          5.50    (#    271:15  Unique         5.04, 5.16 A)
 &rst
  ixpk= 271, nxpk= 15, iat= 263, 244, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:272     16 HIS  HN          5.50    (#    272:15  Single Ambig)
 &rst
  ixpk= 272, nxpk= 15, iat=  -1, 244, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 215, 216, 217, 219, 220, 221,1294,1295,1296,1298,
      1299,1300,
 &end
#
#  117 ALA  MB            2 ARG  HN          5.50    (#    273:15  Unique         5.17, 6.38 A)
 &rst
  ixpk= 273, nxpk= 15, iat=  -1,  21, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1769,1770,1771,
 &end
#
#   41 ASN  HD2-         42 TYR  HN          5.50    (#    274:15  Unique         2.73, 4.15 A)
 &rst
  ixpk= 274, nxpk= 15, iat=  -1, 654, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 649, 650,
 &end
#
#   43 ILE  HN           42 TYR  HN          3.50    (#    275:15  Unique         2.57, 2.66 A)
 &rst
  ixpk= 275, nxpk= 15, iat= 675, 654, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   15 ILE  HN           16 HIS  HN          5.50    (#    276:15  Unique         4.23, 4.33 A)
 &rst
  ixpk= 276, nxpk= 15, iat= 225, 244, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   17 SER  HN           16 HIS  HN          3.50    (#    277:15  Unique         2.50, 2.62 A)
 &rst
  ixpk= 277, nxpk= 15, iat= 261, 244, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:279     16 HIS  HN          2.80    (#    279:15  Single Ambig)
 &rst
  ixpk= 279, nxpk= 15, iat=  -1, 244, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 227, 246,
 &end
#
#   16 HIS  HB+          16 HIS  HN          2.80    (#    280:15  Unique         2.35, 2.81 A)
 &rst
  ixpk= 280, nxpk= 15, iat=  -1, 244, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 248, 249,
 &end
#
#   15 ILE  HB           16 HIS  HN          4.50    (#    281:15  Unique         4.17, 4.33 A)
 &rst
  ixpk= 281, nxpk= 15, iat= 229, 244, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   15 ILE  QG2          16 HIS  HN          3.50    (#    282:15  Unique         2.77, 3.59 A)
 &rst
  ixpk= 282, nxpk= 15, iat=  -1, 244, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 231, 232, 233,
 &end
#
#    0 AMB  15-2:283     42 TYR  HN          4.50    (#    283:15  Single Ambig)
 &rst
  ixpk= 283, nxpk= 15, iat=  -1, 654, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 640, 614,
 &end
#
#   42 TYR  HD           42 TYR  HN          4.50    (#    284:15  Unique         4.40, 4.66 A)
 &rst
  ixpk= 284, nxpk= 15, iat=  -1, 654, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 662, 671,
 &end
#
#    0 AMB  15-2:285     42 TYR  HN          3.50    (#    285:15  Single Ambig)
 &rst
  ixpk= 285, nxpk= 15, iat=  -1, 654, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 618, 619, 656,
 &end
#
#    0 AMB  15-2:287     42 TYR  HN          4.50    (#    287:15  Single Ambig)
 &rst
  ixpk= 287, nxpk= 15, iat=  -1, 654, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 618, 619, 642,
 &end
#
#   42 TYR  HB+          42 TYR  HN          3.50    (#    288:15  Unique         2.27, 2.43 A)
 &rst
  ixpk= 288, nxpk= 15, iat=  -1, 654, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 658, 659,
 &end
#
#   42 TYR  HB-          42 TYR  HN          2.80    (#    289:15  Unique         2.27, 2.43 A)
 &rst
  ixpk= 289, nxpk= 15, iat=  -1, 654, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 658, 659,
 &end
#
#   41 ASN  HB+          42 TYR  HN          4.50    (#    290:15  Unique         2.54, 3.65 A)
 &rst
  ixpk= 290, nxpk= 15, iat=  -1, 654, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 644, 645,
 &end
#
#    0 AMB  15-2:291      0 AMB  15-1:291    5.50    (#    291:15  Double Ambig)
 &rst
  ixpk= 291, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1= 681, 682, 683, 516, 517, 518, 520, 521, 522,
 igr2= 740, 654,
 &end
#
#   38 ILE  QG2          42 TYR  HN          5.50    (#    292:15  Unique         5.99, 6.56 A)
 &rst
  ixpk= 292, nxpk= 15, iat=  -1, 654, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 601, 602, 603,
 &end
#
#   52 ASN  HN           51 ILE  HN          3.50    (#    293:15  Unique         2.51, 2.66 A)
 &rst
  ixpk= 293, nxpk= 15, iat= 818, 799, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   52 ASN  HD2+         51 ILE  HN          4.50    (#    294:15  Unique         3.99, 5.09 A)
 &rst
  ixpk= 294, nxpk= 15, iat=  -1, 799, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 827, 828,
 &end
#
#   48 ASP  HA           51 ILE  HN          4.50    (#    297:15  Unique         2.95, 3.21 A)
 &rst
  ixpk= 297, nxpk= 15, iat= 764, 799, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   47 LYS  HA           51 ILE  HN          5.50    (#    298:15  Unique         3.89, 4.14 A)
 &rst
  ixpk= 298, nxpk= 15, iat= 742, 799, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   50 THR  HA           51 ILE  HN          4.50    (#    299:15  Unique         3.56, 3.61 A)
 &rst
  ixpk= 299, nxpk= 15, iat= 787, 799, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   51 ILE  HA           51 ILE  HN          3.50    (#    300:15  Unique         2.84, 2.87 A)
 &rst
  ixpk= 300, nxpk= 15, iat= 801, 799, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:301     51 ILE  HN          5.50    (#    301:15  Single Ambig)
 &rst
  ixpk= 301, nxpk= 15, iat=  -1, 799, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 822, 823, 766, 767,
 &end
#
#   51 ILE  HB           51 ILE  HN          2.80    (#    302:15  Unique         2.20, 2.32 A)
 &rst
  ixpk= 302, nxpk= 15, iat= 803, 799, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   51 ILE  HG1-         51 ILE  HN          4.50    (#    303:15  Unique         2.31, 3.06 A)
 &rst
  ixpk= 303, nxpk= 15, iat=  -1, 799, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 809, 810,
 &end
#
#    0 AMB  15-2:304     51 ILE  HN          3.50    (#    304:15  Single Ambig)
 &rst
  ixpk= 304, nxpk= 15, iat=  -1, 799, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 812, 813, 814, 805, 806, 807,
 &end
#
#   50 THR  MG2          51 ILE  HN          4.50    (#    305:15  Unique         3.37, 4.71 A)
 &rst
  ixpk= 305, nxpk= 15, iat=  -1, 799, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 791, 792, 793,
 &end
#
#   27 PHE  HN           26 ASP  HN          3.50    (#    306:15  Unique         2.77, 2.84 A)
 &rst
  ixpk= 306, nxpk= 15, iat= 413, 401, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   28 SER  HN           26 ASP  HN          5.50    (#    307:15  Unique         3.86, 4.03 A)
 &rst
  ixpk= 307, nxpk= 15, iat= 433, 401, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   26 ASP  HA           26 ASP  HN          3.50    (#    308:15  Unique         2.80, 2.83 A)
 &rst
  ixpk= 308, nxpk= 15, iat= 403, 401, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:309     26 ASP  HN          5.50    (#    309:15  Single Ambig)
 &rst
  ixpk= 309, nxpk= 15, iat=  -1, 401, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 374, 437, 438,
 &end
#
#   23 GLU  HA           26 ASP  HN          4.50    (#    310:15  Unique         3.12, 3.27 A)
 &rst
  ixpk= 310, nxpk= 15, iat= 359, 401, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   26 ASP  HB-          26 ASP  HN          3.50    (#    311:15  Unique         2.44, 2.56 A)
 &rst
  ixpk= 311, nxpk= 15, iat=  -1, 401, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 405, 406,
 &end
#
#   26 ASP  HB+          26 ASP  HN          3.50    (#    312:15  Unique         2.44, 2.56 A)
 &rst
  ixpk= 312, nxpk= 15, iat=  -1, 401, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 405, 406,
 &end
#
#   25 ILE  HB           26 ASP  HN          4.50    (#    314:15  Unique         2.51, 2.59 A)
 &rst
  ixpk= 314, nxpk= 15, iat= 386, 401, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:315     26 ASP  HN          5.50    (#    315:15  Single Ambig)
 &rst
  ixpk= 315, nxpk= 15, iat=  -1, 401, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 364, 365, 344, 345,
 &end
#
#    0 AMB  15-2:316     26 ASP  HN          5.50    (#    316:15  Single Ambig)
 &rst
  ixpk= 316, nxpk= 15, iat=  -1, 401, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 344, 345, 750, 751,
 &end
#
#    0 AMB  15-2:317     26 ASP  HN          4.50    (#    317:15  Single Ambig)
 &rst
  ixpk= 317, nxpk= 15, iat=  -1, 401, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1= 747, 748, 395, 396, 397,
 &end
#
#   43 ILE  QG2          26 ASP  HN          4.50    (#    318:15  Unique         4.18, 4.54 A)
 &rst
  ixpk= 318, nxpk= 15, iat=  -1, 401, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 681, 682, 683,
 &end
#
#    0 AMB  15-2:319     26 ASP  HN          5.50    (#    319:15  Single Ambig)
 &rst
  ixpk= 319, nxpk= 15, iat=  -1, 401, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 392, 393, 364, 365, 448, 449, 361, 362,
 &end
#
#    0 AMB  15-2:320     47 LYS  HN          3.50    (#    320:15  Single Ambig)
 &rst
  ixpk= 320, nxpk= 15, iat=  -1, 740, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
 igr1= 747, 748, 395, 396, 397,
 &end
#
#   46 ILE  HB           47 LYS  HN          3.50    (#    321:15  Unique         2.45, 2.54 A)
 &rst
  ixpk= 321, nxpk= 15, iat= 725, 740, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   48 ASP  HN           47 LYS  HN          3.50    (#    322:15  Unique         2.73, 2.81 A)
 &rst
  ixpk= 322, nxpk= 15, iat= 762, 740, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   46 ILE  HN           47 LYS  HN          3.50    (#    323:15  Unique         2.39, 2.57 A)
 &rst
  ixpk= 323, nxpk= 15, iat= 721, 740, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   47 LYS  HA           47 LYS  HN          4.50    (#    324:15  Unique         2.80, 2.83 A)
 &rst
  ixpk= 324, nxpk= 15, iat= 742, 740, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   44 GLN  HA           47 LYS  HN          3.50    (#    325:15  Unique         2.87, 2.99 A)
 &rst
  ixpk= 325, nxpk= 15, iat= 696, 740, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   47 LYS  HB-          47 LYS  HN          2.80    (#    326:15  Unique         2.36, 3.03 A)
 &rst
  ixpk= 326, nxpk= 15, iat=  -1, 740, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 744, 745,
 &end
#
#   47 LYS  HG+          47 LYS  HN          3.50    (#    327:15  Unique         2.10, 2.96 A)
 &rst
  ixpk= 327, nxpk= 15, iat=  -1, 740, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 747, 748,
 &end
#
#   47 LYS  HD+          47 LYS  HN          5.50    (#    328:15  Unique         3.66, 4.16 A)
 &rst
  ixpk= 328, nxpk= 15, iat=  -1, 740, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 750, 751,
 &end
#
#   46 ILE  QG2          47 LYS  HN          4.50    (#    329:15  Unique         3.32, 4.36 A)
 &rst
  ixpk= 329, nxpk= 15, iat=  -1, 740, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 727, 728, 729,
 &end
#
#   67 HIS  HD2          68 ALA  HN          3.50    (#    332:15  Unique         2.70, 3.17 A)
 &rst
  ixpk= 332, nxpk= 15, iat=1048,1052, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   67 HIS  HB+          68 ALA  HN          3.50    (#    333:15  Unique         2.36, 3.71 A)
 &rst
  ixpk= 333, nxpk= 15, iat=  -1,1052, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1039,1040,
 &end
#
#   67 HIS  HB-          68 ALA  HN          3.50    (#    334:15  Unique         2.36, 3.71 A)
 &rst
  ixpk= 334, nxpk= 15, iat=  -1,1052, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1039,1040,
 &end
#
#   68 ALA  MB           68 ALA  HN          3.50    (#    335:15  Unique         2.36, 3.27 A)
 &rst
  ixpk= 335, nxpk= 15, iat=  -1,1052, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1056,1057,1058,
 &end
#
#   68 ALA  HA           68 ALA  HN          3.50    (#    337:15  Unique         2.90, 2.96 A)
 &rst
  ixpk= 337, nxpk= 15, iat=1054,1052, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   65 MET  HA           65 MET  HN          4.50    (#    339:15  Unique         2.89, 2.92 A)
 &rst
  ixpk= 339, nxpk= 15, iat=1006,1004, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   65 MET  HG-          65 MET  HN          5.50    (#    340:15  Unique         4.45, 4.75 A)
 &rst
  ixpk= 340, nxpk= 15, iat=  -1,1004, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1011,1012,
 &end
#
#   65 MET  ME           65 MET  HN          5.50    (#    341:15  Unique         4.75, 5.75 A)
 &rst
  ixpk= 341, nxpk= 15, iat=  -1,1004, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1015,1016,1017,
 &end
#
#   46 ILE  QD1          68 ALA  HN          4.50    (#    342:15  Unique         2.29, 4.16 A)
 &rst
  ixpk= 342, nxpk= 15, iat=  -1,1052, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 734, 735, 736,
 &end
#
#  104 SER  HA           68 ALA  HN          5.50    (#    343:15  Unique         4.15, 4.66 A)
 &rst
  ixpk= 343, nxpk= 15, iat=1602,1052, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   32 LEU  HN           30 VAL  HN          5.50    (#    344:15  Unique         4.36, 4.47 A)
 &rst
  ixpk= 344, nxpk= 15, iat= 488, 461, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  125 GLU  HN          124 GLU  HN          5.50    (#    345:15  Unique         3.74, 3.81 A)
 &rst
  ixpk= 345, nxpk= 15, iat=1884,1869, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  123 CYS  HN          124 GLU  HN          2.80    (#    346:15  Unique         2.47, 2.57 A)
 &rst
  ixpk= 346, nxpk= 15, iat=1858,1869, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  124 GLU  HA          124 GLU  HN          2.80    (#    347:15  Unique         2.94, 2.95 A)
 &rst
  ixpk= 347, nxpk= 15, iat=1871,1869, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  122 LEU  HA          124 GLU  HN          4.50    (#    348:15  Unique         3.58, 3.69 A)
 &rst
  ixpk= 348, nxpk= 15, iat=1841,1869, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  123 CYS  HB+         124 GLU  HN          4.50    (#    349:15  Unique         4.11, 4.35 A)
 &rst
  ixpk= 349, nxpk= 15, iat=  -1,1869, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1862,1863,
 &end
#
#  124 GLU  HG-         124 GLU  HN          5.50    (#    350:15  Unique         3.42, 4.32 A)
 &rst
  ixpk= 350, nxpk= 15, iat=  -1,1869, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1876,1877,
 &end
#
#  124 GLU  HB+         124 GLU  HN          2.80    (#    351:15  Unique         2.62, 3.14 A)
 &rst
  ixpk= 351, nxpk= 15, iat=  -1,1869, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1873,1874,
 &end
#
#  127 ILE  HG1-        124 GLU  HN          5.50    (#    352:15  Unique         5.54, 6.33 A)
 &rst
  ixpk= 352, nxpk= 15, iat=  -1,1869, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1924,1925,
 &end
#
#    0 AMB  15-2:353    124 GLU  HN          4.50    (#    353:15  Single Ambig)
 &rst
  ixpk= 353, nxpk= 15, iat=  -1,1869, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1920,1921,1922,1927,1928,1929, 984, 985, 986, 988,
       989, 990,
 &end
#
#   57 TYR  HB+          65 MET  HN          4.50    (#    354:15  Unique         2.37, 3.70 A)
 &rst
  ixpk= 354, nxpk= 15, iat=  -1,1004, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 892, 893,
 &end
#
#   66 PRO  HD+          65 MET  HN          5.50    (#    355:15  Unique         2.85, 3.73 A)
 &rst
  ixpk= 355, nxpk= 15, iat=  -1,1004, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1022,1023,
 &end
#
#   57 TYR  HB-          65 MET  HN          4.50    (#    356:15  Unique         2.37, 3.70 A)
 &rst
  ixpk= 356, nxpk= 15, iat=  -1,1004, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 892, 893,
 &end
#
#   65 MET  HB-          65 MET  HN          3.50    (#    357:15  Unique         2.78, 3.13 A)
 &rst
  ixpk= 357, nxpk= 15, iat=  -1,1004, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1008,1009,
 &end
#
#   64 ALA  HA           65 MET  HN          2.80    (#    358:15  Unique         2.36, 2.42 A)
 &rst
  ixpk= 358, nxpk= 15, iat= 996,1004, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   58 ILE  HA           65 MET  HN          4.50    (#    359:15  Unique         3.24, 3.57 A)
 &rst
  ixpk= 359, nxpk= 15, iat= 911,1004, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   65 MET  HB+          65 MET  HN          3.50    (#    360:15  Unique         2.78, 3.13 A)
 &rst
  ixpk= 360, nxpk= 15, iat=  -1,1004, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1008,1009,
 &end
#
#   64 ALA  MB           65 MET  HN          3.50    (#    361:15  Unique         2.25, 3.21 A)
 &rst
  ixpk= 361, nxpk= 15, iat=  -1,1004, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 998, 999,1000,
 &end
#
#   59 LEU  MDY          65 MET  HN          4.50    (#    362:15  Unique         2.88, 4.98 A)
 &rst
  ixpk= 362, nxpk= 15, iat=  -1,1004, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 937, 938, 939, 941, 942, 943,
 &end
#
#   59 LEU  MDX          65 MET  HN          4.50    (#    363:15  Unique         2.88, 4.98 A)
 &rst
  ixpk= 363, nxpk= 15, iat=  -1,1004, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 937, 938, 939, 941, 942, 943,
 &end
#
#   78 GLY  HN          104 SER  HN          4.50    (#    364:15  Unique         2.61, 2.72 A)
 &rst
  ixpk= 364, nxpk= 15, iat=1198,1600, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:365      0 AMB  15-1:365    4.50    (#    365:15  Double Ambig)
 &rst
  ixpk= 365, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1611,1222,
 igr2=1600,1233,
 &end
#
#  103 LEU  HA          104 SER  HN          2.80    (#    366:15  Unique         2.20, 2.26 A)
 &rst
  ixpk= 366, nxpk= 15, iat=1583,1600, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  104 SER  HB-         104 SER  HN          4.50    (#    367:15  Unique         2.92, 3.60 A)
 &rst
  ixpk= 367, nxpk= 15, iat=  -1,1600, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1604,1605,
 &end
#
#    0 AMB  15-2:368    104 SER  HN          3.50    (#    368:15  Single Ambig)
 &rst
  ixpk= 368, nxpk= 15, iat=  -1,1600, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1588,1585,1586,
 &end
#
#  103 LEU  MDY         104 SER  HN          2.80    (#    369:15  Unique         1.87, 4.20 A)
 &rst
  ixpk= 369, nxpk= 15, iat=  -1,1600, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1590,1591,1592,1594,1595,1596,
 &end
#
#  103 LEU  MDX         104 SER  HN          4.50    (#    370:15  Unique         1.87, 4.20 A)
 &rst
  ixpk= 370, nxpk= 15, iat=  -1,1600, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1590,1591,1592,1594,1595,1596,
 &end
#
#   29 MET  HN           30 VAL  HN          2.80    (#    371:15  Unique         2.07, 2.22 A)
 &rst
  ixpk= 371, nxpk= 15, iat= 444, 461, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:372     30 VAL  HN          4.50    (#    372:15  Single Ambig)
 &rst
  ixpk= 372, nxpk= 15, iat=  -1, 461, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 415, 435,
 &end
#
#   30 VAL  HA           30 VAL  HN          2.80    (#    373:15  Unique         2.67, 2.71 A)
 &rst
  ixpk= 373, nxpk= 15, iat= 463, 461, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:374     30 VAL  HN          5.50    (#    374:15  Single Ambig)
 &rst
  ixpk= 374, nxpk= 15, iat=  -1, 461, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 451, 452, 405, 406,
 &end
#
#   30 VAL  HB           30 VAL  HN          2.80    (#    375:15  Unique         2.38, 2.42 A)
 &rst
  ixpk= 375, nxpk= 15, iat= 465, 461, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:376     30 VAL  HN          4.50    (#    376:15  Single Ambig)
 &rst
  ixpk= 376, nxpk= 15, iat=  -1, 461, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 448, 449, 685, 686,
 &end
#
#   29 MET  HB+          30 VAL  HN          4.50    (#    377:15  Unique         3.16, 3.73 A)
 &rst
  ixpk= 377, nxpk= 15, iat=  -1, 461, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 448, 449,
 &end
#
#    0 AMB  15-2:378     30 VAL  HN          5.50    (#    378:15  Single Ambig)
 &rst
  ixpk= 378, nxpk= 15, iat=  -1, 461, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 467, 468, 469, 471, 472, 473, 467, 468, 469, 471,
       472, 473,
 &end
#
#    0 AMB  15-2:379     30 VAL  HN          5.50    (#    379:15  Single Ambig)
 &rst
  ixpk= 379, nxpk= 15, iat=  -1, 461, r1= 0.00, r2= 1.80, r3= 8.07, r4= 8.82,
 igr1= 516, 517, 518, 520, 521, 522, 681, 682, 683, 514,
      
 &end
#
#  124 GLU  HG+         124 GLU  HN          5.50    (#    380:15  Unique         3.42, 4.32 A)
 &rst
  ixpk= 380, nxpk= 15, iat=  -1,1869, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1876,1877,
 &end
#
#   11 SER  HB+          81 LEU  HN          4.50    (#    381:15  Unique         3.43, 4.38 A)
 &rst
  ixpk= 381, nxpk= 15, iat=  -1,1233, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 172, 173,
 &end
#
#   79 MET  HG+         104 SER  HN          5.50    (#    382:15  Unique         3.29, 3.87 A)
 &rst
  ixpk= 382, nxpk= 15, iat=  -1,1600, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1212,1213,
 &end
#
#    0 AMB  15-2:383      0 AMB  15-1:383    3.50    (#    383:15  Double Ambig)
 &rst
  ixpk= 383, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1226,1227,1604,1605,
 igr2=1233,1600,
 &end
#
#  115 ILE  HG1-        116 GLN  HN          4.50    (#    384:15  Unique         4.62, 4.83 A)
 &rst
  ixpk= 384, nxpk= 15, iat=  -1,1748, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1739,1740,
 &end
#
#   31 SER  HN           30 VAL  HN          3.50    (#    386:15  Unique         3.08, 3.14 A)
 &rst
  ixpk= 386, nxpk= 15, iat= 477, 461, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   29 MET  HA           30 VAL  HN          4.50    (#    387:15  Unique         3.42, 3.49 A)
 &rst
  ixpk= 387, nxpk= 15, iat= 446, 461, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  138 LYS  HN          137 GLU  HN          3.50    (#    388:15  Unique         2.50, 2.81 A)
 &rst
  ixpk= 388, nxpk= 15, iat=2083,2068, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  136 SER  HN          137 GLU  HN          5.50    (#    389:15  Unique         4.21, 4.31 A)
 &rst
  ixpk= 389, nxpk= 15, iat=2057,2068, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  136 SER  HB+         137 GLU  HN          3.50    (#    392:15  Unique         2.58, 3.31 A)
 &rst
  ixpk= 392, nxpk= 15, iat=  -1,2068, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=2061,2062,
 &end
#
#  136 SER  HB-         137 GLU  HN          4.50    (#    393:15  Unique         2.58, 3.31 A)
 &rst
  ixpk= 393, nxpk= 15, iat=  -1,2068, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=2061,2062,
 &end
#
#  137 GLU  HA          137 GLU  HN          3.50    (#    394:15  Unique         2.75, 2.80 A)
 &rst
  ixpk= 394, nxpk= 15, iat=2070,2068, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  137 GLU  HG-         137 GLU  HN          4.50    (#    395:15  Unique         2.09, 3.50 A)
 &rst
  ixpk= 395, nxpk= 15, iat=  -1,2068, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=2075,2076,
 &end
#
#  137 GLU  HB-         137 GLU  HN          3.50    (#    396:15  Unique         2.13, 2.87 A)
 &rst
  ixpk= 396, nxpk= 15, iat=  -1,2068, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=2072,2073,
 &end
#
#  137 GLU  HB+         137 GLU  HN          3.50    (#    397:15  Unique         2.13, 2.87 A)
 &rst
  ixpk= 397, nxpk= 15, iat=  -1,2068, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=2072,2073,
 &end
#
#    0 AMB  15-2:398    137 GLU  HN          4.50    (#    398:15  Single Ambig)
 &rst
  ixpk= 398, nxpk= 15, iat=  -1,2068, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 213,2087,2088,
 &end
#
#   14 VAL  MGY         137 GLU  HN          3.50    (#    399:15  Unique         2.93, 4.84 A)
 &rst
  ixpk= 399, nxpk= 15, iat=  -1,2068, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 215, 216, 217, 219, 220, 221,
 &end
#
#    0 AMB  15-2:401      0 AMB  15-1:401    2.80    (#    401:15  Double Ambig)
 &rst
  ixpk= 401, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 181,1207,
 igr2=1233,1600,
 &end
#
#   80 SER  HA           81 LEU  HN          2.80    (#    402:15  Unique         2.29, 2.42 A)
 &rst
  ixpk= 402, nxpk= 15, iat=1224,1233, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:403      0 AMB  15-1:403    2.80    (#    403:15  Double Ambig)
 &rst
  ixpk= 403, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1226,1227,1602,
 igr2=1233,1600,
 &end
#
#   81 LEU  HB+          81 LEU  HN          3.50    (#    404:15  Unique         2.32, 2.93 A)
 &rst
  ixpk= 404, nxpk= 15, iat=  -1,1233, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1237,1238,
 &end
#
#    0 AMB  15-2:405     81 LEU  HN          4.50    (#    405:15  Single Ambig)
 &rst
  ixpk= 405, nxpk= 15, iat=  -1,1233, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 172, 173, 129, 130,
 &end
#
#   11 SER  HA            9 GLU  HN          5.50    (#    407:15  Unique         4.29, 5.56 A)
 &rst
  ixpk= 407, nxpk= 15, iat= 170, 142, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   35 LYS  HE+           9 GLU  HN          5.50    (#    408:15  Unique         2.32, 3.60 A)
 &rst
  ixpk= 408, nxpk= 15, iat=  -1, 142, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 551, 552,
 &end
#
#    8 PRO  HG+           9 GLU  HN          5.50    (#    409:15  Unique         2.07, 4.27 A)
 &rst
  ixpk= 409, nxpk= 15, iat=  -1, 142, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 132, 133,
 &end
#
#    8 PRO  HA            9 GLU  HN          3.50    (#    410:15  Unique         2.12, 2.75 A)
 &rst
  ixpk= 410, nxpk= 15, iat= 138, 142, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    9 GLU  HA            9 GLU  HN          3.50    (#    411:15  Unique         2.27, 2.91 A)
 &rst
  ixpk= 411, nxpk= 15, iat= 144, 142, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    9 GLU  HG+           9 GLU  HN          4.50    (#    412:15  Unique         3.95, 4.44 A)
 &rst
  ixpk= 412, nxpk= 15, iat=  -1, 142, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 149, 150,
 &end
#
#    8 PRO  HB+           9 GLU  HN          3.50    (#    413:15  Unique         1.82, 2.70 A)
 &rst
  ixpk= 413, nxpk= 15, iat=  -1, 142, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 135, 136,
 &end
#
#  107 ASP  HB-         108 ALA  HN          4.50    (#    415:15  Unique         3.82, 3.92 A)
 &rst
  ixpk= 415, nxpk= 15, iat=  -1,1643, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1635,1636,
 &end
#
#  109 ASP  HN          108 ALA  HN          3.50    (#    416:15  Unique         2.84, 2.86 A)
 &rst
  ixpk= 416, nxpk= 15, iat=1653,1643, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  107 ASP  HA          108 ALA  HN          3.50    (#    417:15  Unique         2.30, 2.35 A)
 &rst
  ixpk= 417, nxpk= 15, iat=1633,1643, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  108 ALA  HA          108 ALA  HN          3.50    (#    418:15  Unique         2.79, 2.80 A)
 &rst
  ixpk= 418, nxpk= 15, iat=1645,1643, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  107 ASP  HB+         108 ALA  HN          3.50    (#    419:15  Unique         3.82, 3.92 A)
 &rst
  ixpk= 419, nxpk= 15, iat=  -1,1643, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1635,1636,
 &end
#
#  108 ALA  MB          108 ALA  HN          2.80    (#    420:15  Unique         2.49, 2.87 A)
 &rst
  ixpk= 420, nxpk= 15, iat=  -1,1643, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1647,1648,1649,
 &end
#
#   62 GLY  HN           63 VAL  HN          3.50    (#    421:15  Unique         2.44, 2.64 A)
 &rst
  ixpk= 421, nxpk= 15, iat= 971, 978, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:422     63 VAL  HN          3.50    (#    422:15  Single Ambig)
 &rst
  ixpk= 422, nxpk= 15, iat=  -1, 978, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 947, 928,
 &end
#
#   63 VAL  HA           63 VAL  HN          3.50    (#    423:15  Unique         2.97, 2.98 A)
 &rst
  ixpk= 423, nxpk= 15, iat= 980, 978, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   63 VAL  HB           63 VAL  HN          2.80    (#    424:15  Unique         2.58, 2.66 A)
 &rst
  ixpk= 424, nxpk= 15, iat= 982, 978, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   63 VAL  MGX          63 VAL  HN          3.50    (#    425:15  Unique         2.72, 4.19 A)
 &rst
  ixpk= 425, nxpk= 15, iat=  -1, 978, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 984, 985, 986, 988, 989, 990,
 &end
#
#   63 VAL  MGY          63 VAL  HN          4.50    (#    426:15  Unique         2.72, 4.19 A)
 &rst
  ixpk= 426, nxpk= 15, iat=  -1, 978, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 984, 985, 986, 988, 989, 990,
 &end
#
#   97 ILE  QD1          63 VAL  HN          3.50    (#    427:15  Unique         2.66, 3.86 A)
 &rst
  ixpk= 427, nxpk= 15, iat=  -1, 978, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1489,1490,1491,
 &end
#
#   37 TYR  HD           77 THR  HN          5.50    (#    428:15  Unique         3.68, 5.94 A)
 &rst
  ixpk= 428, nxpk= 15, iat=  -1,1184, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 582, 591,
 &end
#
#    0 AMB  15-2:430      0 AMB  15-1:430    3.50    (#    430:15  Double Ambig)
 &rst
  ixpk= 430, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1190,1191,1192,1524,1502,1503,
 igr2=1184, 978,
 &end
#
#  106 ALA  HN           77 THR  HN          5.50    (#    431:15  Unique         3.42, 3.55 A)
 &rst
  ixpk= 431, nxpk= 15, iat=1621,1184, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   77 THR  HA           77 THR  HN          3.50    (#    432:15  Unique         2.84, 2.87 A)
 &rst
  ixpk= 432, nxpk= 15, iat=1186,1184, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:433      0 AMB  15-1:433    2.80    (#    433:15  Double Ambig)
 &rst
  ixpk= 433, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1164, 973, 974,
 igr2=1184, 978,
 &end
#
#   77 THR  HB           77 THR  HN          2.80    (#    434:15  Unique         2.23, 2.27 A)
 &rst
  ixpk= 434, nxpk= 15, iat=1188,1184, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   76 LYS  HB+          77 THR  HN          3.50    (#    435:15  Unique         2.46, 3.20 A)
 &rst
  ixpk= 435, nxpk= 15, iat=  -1,1184, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1166,1167,
 &end
#
#  106 ALA  MB           77 THR  HN          3.50    (#    436:15  Unique         3.45, 4.33 A)
 &rst
  ixpk= 436, nxpk= 15, iat=  -1,1184, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1625,1626,1627,
 &end
#
#  116 GLN  HA          116 GLN  HN          3.50    (#    437:15  Unique         2.83, 2.85 A)
 &rst
  ixpk= 437, nxpk= 15, iat=1750,1748, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:438    116 GLN  HN          5.50    (#    438:15  Single Ambig)
 &rst
  ixpk= 438, nxpk= 15, iat=  -1,1748, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1695,1721,
 &end
#
#  115 ILE  HA          116 GLN  HN          4.50    (#    439:15  Unique         3.57, 3.61 A)
 &rst
  ixpk= 439, nxpk= 15, iat=1731,1748, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  116 GLN  HG+         116 GLN  HN          3.50    (#    440:15  Unique         2.34, 3.00 A)
 &rst
  ixpk= 440, nxpk= 15, iat=  -1,1748, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1755,1756,
 &end
#
#  116 GLN  HG-         116 GLN  HN          4.50    (#    441:15  Unique         2.34, 3.00 A)
 &rst
  ixpk= 441, nxpk= 15, iat=  -1,1748, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1755,1756,
 &end
#
#  116 GLN  HB+         116 GLN  HN          2.80    (#    442:15  Unique         2.28, 2.94 A)
 &rst
  ixpk= 442, nxpk= 15, iat=  -1,1748, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1752,1753,
 &end
#
#  116 GLN  HB-         116 GLN  HN          2.80    (#    443:15  Unique         2.28, 2.94 A)
 &rst
  ixpk= 443, nxpk= 15, iat=  -1,1748, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1752,1753,
 &end
#
#  115 ILE  HB          116 GLN  HN          3.50    (#    444:15  Unique         2.54, 2.63 A)
 &rst
  ixpk= 444, nxpk= 15, iat=1733,1748, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:445    116 GLN  HN          4.50    (#    445:15  Single Ambig)
 &rst
  ixpk= 445, nxpk= 15, iat=  -1,1748, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1=1739,1740,1723,1724,1725,
 &end
#
#  112 ILE  QG2         116 GLN  HN          4.50    (#    446:15  Unique         4.47, 5.18 A)
 &rst
  ixpk= 446, nxpk= 15, iat=  -1,1748, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1699,1700,1701,
 &end
#
#  115 ILE  QG2         116 GLN  HN          4.50    (#    447:15  Unique         2.74, 3.73 A)
 &rst
  ixpk= 447, nxpk= 15, iat=  -1,1748, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1735,1736,1737,
 &end
#
#  115 ILE  HN          116 GLN  HN          2.80    (#    448:15  Unique         2.69, 2.78 A)
 &rst
  ixpk= 448, nxpk= 15, iat=1729,1748, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  113 GLY  HA-         116 GLN  HN          4.50    (#    449:15  Unique         3.32, 4.15 A)
 &rst
  ixpk= 449, nxpk= 15, iat=  -1,1748, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1714,1715,
 &end
#
#    0 AMB  15-2:450    116 GLN  HN          4.50    (#    450:15  Single Ambig)
 &rst
  ixpk= 450, nxpk= 15, iat=  -1,1748, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1=1769,1770,1771,1779,1780,
 &end
#
#    0 AMB  15-2:451    116 GLN  HN          5.50    (#    451:15  Single Ambig)
 &rst
  ixpk= 451, nxpk= 15, iat=  -1,1748, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1=1590,1591,1592,1594,1595,1596,1742,1743,1744,
 &end
#
#   81 LEU  HB-          81 LEU  HN          3.50    (#    452:15  Unique         2.32, 2.93 A)
 &rst
  ixpk= 452, nxpk= 15, iat=  -1,1233, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1237,1238,
 &end
#
#    7 PHE  HD           81 LEU  HN          4.50    (#    453:15  Unique         3.36, 5.64 A)
 &rst
  ixpk= 453, nxpk= 15, iat=  -1,1233, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 116, 124,
 &end
#
#  101 ILE  QD1          81 LEU  HN          5.50    (#    455:15  Unique         5.95, 6.95 A)
 &rst
  ixpk= 455, nxpk= 15, iat=  -1,1233, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1568,1569,1570,
 &end
#
#    2 ARG  HA            1 MET  HN          5.50    (#    456:15  Unique         3.93, 5.36 A)
 &rst
  ixpk= 456, nxpk= 15, iat=  23,   2, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    1 MET  HA            1 MET  HN          4.50    (#    457:15  Unique         3.18, 4.32 A)
 &rst
  ixpk= 457, nxpk= 15, iat=   6,   2, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  120 GLU  HG-           1 MET  HN          3.50    (#    461:15  Unique         1.91, 2.95 A)
 &rst
  ixpk= 461, nxpk= 15, iat=  -1,   2, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1812,1813,
 &end
#
#    1 MET  HB+           1 MET  HN          3.50    (#    462:15  Unique         3.23, 4.19 A)
 &rst
  ixpk= 462, nxpk= 15, iat=  -1,   2, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=   8,   9,
 &end
#
#   18 ALA  HN           19 LYS  HN          5.50    (#    463:15  Unique         4.43, 4.50 A)
 &rst
  ixpk= 463, nxpk= 15, iat= 272, 282, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   88 VAL  HN           97 ILE  HN          3.50    (#    464:15  Unique         2.70, 3.48 A)
 &rst
  ixpk= 464, nxpk= 15, iat=1343,1476, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   90 PHE  HD           97 ILE  HN          5.50    (#    465:15  Unique         4.29, 6.55 A)
 &rst
  ixpk= 465, nxpk= 15, iat=  -1,1476, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1388,1396,
 &end
#
#   87 GLY  HA-          97 ILE  HN          5.50    (#    466:15  Unique         2.16, 3.31 A)
 &rst
  ixpk= 466, nxpk= 15, iat=  -1,1476, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1338,1339,
 &end
#
#   96 PRO  HB+          97 ILE  HN          3.50    (#    467:15  Unique         2.30, 3.55 A)
 &rst
  ixpk= 467, nxpk= 15, iat=  -1,1476, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1469,1470,
 &end
#
#    0 AMB  15-2:468     97 ILE  HN          3.50    (#    468:15  Single Ambig)
 &rst
  ixpk= 468, nxpk= 15, iat=  -1,1476, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1489,1490,1491,1482,1483,1484,
 &end
#
#   97 ILE  HG1-         97 ILE  HN          3.50    (#    470:15  Unique         2.17, 3.21 A)
 &rst
  ixpk= 470, nxpk= 15, iat=  -1,1476, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1486,1487,
 &end
#
#    0 AMB  15-2:471    117 ALA  HN          2.80    (#    471:15  Single Ambig)
 &rst
  ixpk= 471, nxpk= 15, iat=  -1,1765, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1775,1748,
 &end
#
#  117 ALA  HA          117 ALA  HN          2.80    (#    472:15  Unique         2.92, 2.93 A)
 &rst
  ixpk= 472, nxpk= 15, iat=1767,1765, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  114 ALA  HA          117 ALA  HN          3.50    (#    473:15  Unique         3.36, 3.47 A)
 &rst
  ixpk= 473, nxpk= 15, iat=1721,1765, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:474    117 ALA  HN          5.50    (#    474:15  Single Ambig)
 &rst
  ixpk= 474, nxpk= 15, iat=  -1,1765, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1755,1756,  91,  92,
 &end
#
#  116 GLN  HB-         117 ALA  HN          3.50    (#    475:15  Unique         3.43, 3.87 A)
 &rst
  ixpk= 475, nxpk= 15, iat=  -1,1765, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1752,1753,
 &end
#
#    0 AMB  15-2:476      0 AMB  15-1:476    2.80    (#    476:15  Double Ambig)
 &rst
  ixpk= 476, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1769,1770,1771,1190,1191,1192,
 igr2=1765,1621,
 &end
#
#   20 ASP  HN           19 LYS  HN          3.50    (#    477:15  Unique         2.56, 2.74 A)
 &rst
  ixpk= 477, nxpk= 15, iat= 304, 282, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   18 ALA  HA           19 LYS  HN          2.80    (#    478:15  Unique         2.22, 2.34 A)
 &rst
  ixpk= 478, nxpk= 15, iat= 274, 282, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   19 LYS  HA           19 LYS  HN          3.50    (#    479:15  Unique         2.79, 2.82 A)
 &rst
  ixpk= 479, nxpk= 15, iat= 284, 282, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:480     19 LYS  HN          3.50    (#    480:15  Single Ambig)
 &rst
  ixpk= 480, nxpk= 15, iat=  -1, 282, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 364, 365, 361, 362,
 &end
#
#   19 LYS  HB+          19 LYS  HN          3.50    (#    481:15  Unique         2.03, 2.43 A)
 &rst
  ixpk= 481, nxpk= 15, iat=  -1, 282, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 286, 287,
 &end
#
#    0 AMB  15-2:482     19 LYS  HN          3.50    (#    482:15  Single Ambig)
 &rst
  ixpk= 482, nxpk= 15, iat=  -1, 282, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 364, 365, 286, 287,
 &end
#
#   19 LYS  HG-          19 LYS  HN          4.50    (#    483:15  Unique         2.47, 4.37 A)
 &rst
  ixpk= 483, nxpk= 15, iat=  -1, 282, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 289, 290,
 &end
#
#    0 AMB  15-2:484     19 LYS  HN          3.50    (#    484:15  Single Ambig)
 &rst
  ixpk= 484, nxpk= 15, iat=  -1, 282, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
 igr1= 276, 277, 278, 289, 290,
 &end
#
#   96 PRO  HB-          97 ILE  HN          4.50    (#    485:15  Unique         2.30, 3.55 A)
 &rst
  ixpk= 485, nxpk= 15, iat=  -1,1476, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1469,1470,
 &end
#
#   87 GLY  HA+          97 ILE  HN          5.50    (#    486:15  Unique         2.16, 3.31 A)
 &rst
  ixpk= 486, nxpk= 15, iat=  -1,1476, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1338,1339,
 &end
#
#   96 PRO  HA           97 ILE  HN          2.80    (#    487:15  Unique         2.24, 2.33 A)
 &rst
  ixpk= 487, nxpk= 15, iat=1472,1476, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   97 ILE  HB           97 ILE  HN          2.80    (#    488:15  Unique         2.39, 2.56 A)
 &rst
  ixpk= 488, nxpk= 15, iat=1480,1476, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   97 ILE  HG1+         97 ILE  HN          3.50    (#    489:15  Unique         2.17, 3.21 A)
 &rst
  ixpk= 489, nxpk= 15, iat=  -1,1476, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1486,1487,
 &end
#
#    0 AMB  15-2:490     14 VAL  HN          2.80    (#    490:15  Single Ambig)
 &rst
  ixpk= 490, nxpk= 15, iat=  -1, 209, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 200, 211,
 &end
#
#   13 SER  HB+          14 VAL  HN          3.50    (#    491:15  Unique         2.58, 3.43 A)
 &rst
  ixpk= 491, nxpk= 15, iat=  -1, 209, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 202, 203,
 &end
#
#   13 SER  HB-          14 VAL  HN          3.50    (#    492:15  Unique         2.58, 3.43 A)
 &rst
  ixpk= 492, nxpk= 15, iat=  -1, 209, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 202, 203,
 &end
#
#   14 VAL  HB           14 VAL  HN          2.80    (#    493:15  Unique         2.45, 2.54 A)
 &rst
  ixpk= 493, nxpk= 15, iat= 213, 209, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   13 SER  HN           14 VAL  HN          5.50    (#    494:15  Unique         3.72, 4.19 A)
 &rst
  ixpk= 494, nxpk= 15, iat= 198, 209, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  106 ALA  HA          106 ALA  HN          2.80    (#    497:15  Unique         2.87, 2.89 A)
 &rst
  ixpk= 497, nxpk= 15, iat=1623,1621, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   21 TRP  HD1          22 GLN  HN          4.50    (#    498:15  Unique         2.57, 4.06 A)
 &rst
  ixpk= 498, nxpk= 15, iat= 324, 340, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   88 VAL  MGY          22 GLN  HN          5.50    (#    499:15  Unique         5.08, 7.18 A)
 &rst
  ixpk= 499, nxpk= 15, iat=  -1, 340, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1349,1350,1351,1353,1354,1355,
 &end
#
#    0 AMB  15-2:500     18 ALA  HN          5.50    (#    500:15  Single Ambig)
 &rst
  ixpk= 500, nxpk= 15, iat=  -1, 272, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 261, 304,
 &end
#
#   18 ALA  HA           18 ALA  HN          3.50    (#    501:15  Unique         2.95, 2.98 A)
 &rst
  ixpk= 501, nxpk= 15, iat= 274, 272, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   17 SER  HA           18 ALA  HN          2.80    (#    504:15  Unique         2.27, 2.42 A)
 &rst
  ixpk= 504, nxpk= 15, iat= 263, 272, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   17 SER  HB+          18 ALA  HN          2.80    (#    505:15  Unique         2.57, 3.27 A)
 &rst
  ixpk= 505, nxpk= 15, iat=  -1, 272, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 265, 266,
 &end
#
#    0 AMB  15-2:506     18 ALA  HN          5.50    (#    506:15  Single Ambig)
 &rst
  ixpk= 506, nxpk= 15, iat=  -1, 272, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1323,1324, 364, 365,
 &end
#
#   84 LEU  HB+          18 ALA  HN          5.50    (#    507:15  Unique         3.42, 5.52 A)
 &rst
  ixpk= 507, nxpk= 15, iat=  -1, 272, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1289,1290,
 &end
#
#   18 ALA  MB           18 ALA  HN          3.50    (#    508:15  Unique         2.42, 3.11 A)
 &rst
  ixpk= 508, nxpk= 15, iat=  -1, 272, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 276, 277, 278,
 &end
#
#   88 VAL  MGX          18 ALA  HN          4.50    (#    509:15  Unique         1.68, 3.67 A)
 &rst
  ixpk= 509, nxpk= 15, iat=  -1, 272, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1349,1350,1351,1353,1354,1355,
 &end
#
#   84 LEU  MDX          18 ALA  HN          4.50    (#    510:15  Unique         1.97, 4.59 A)
 &rst
  ixpk= 510, nxpk= 15, iat=  -1, 272, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1294,1295,1296,1298,1299,1300,
 &end
#
#    0 AMB  15-2:511     18 ALA  HN          5.50    (#    511:15  Single Ambig)
 &rst
  ixpk= 511, nxpk= 15, iat=  -1, 272, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 306,1321,
 &end
#
#   17 SER  HB-          18 ALA  HN          3.50    (#    512:15  Unique         2.57, 3.27 A)
 &rst
  ixpk= 512, nxpk= 15, iat=  -1, 272, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 265, 266,
 &end
#
#   88 VAL  HB           18 ALA  HN          5.50    (#    513:15  Unique         2.59, 3.59 A)
 &rst
  ixpk= 513, nxpk= 15, iat=1347, 272, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:514     85 GLU  HN          5.50    (#    514:15  Single Ambig)
 &rst
  ixpk= 514, nxpk= 15, iat=  -1,1304, r1= 0.00, r2= 1.80, r3= 7.61, r4= 8.36,
 igr1=1275,1276,1277,1279,1280,1281,1292,
 &end
#
#    0 AMB  15-2:515      0 AMB  15-1:515    2.80    (#    515:15  Double Ambig)
 &rst
  ixpk= 515, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1= 215, 216, 217, 219, 220, 221,1294,1295,1296,1298,
      1299,1300,
 igr2= 209,1304,
 &end
#
#  107 ASP  HN          106 ALA  HN          3.50    (#    516:15  Unique         2.44, 2.52 A)
 &rst
  ixpk= 516, nxpk= 15, iat=1631,1621, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  105 ALA  HA          106 ALA  HN          2.80    (#    517:15  Unique         2.18, 2.20 A)
 &rst
  ixpk= 517, nxpk= 15, iat=1613,1621, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:519      0 AMB  15-1:519    5.50    (#    519:15  Double Ambig)
 &rst
  ixpk= 519, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1164,1602,1226,1227,
 igr2=1621,1581,
 &end
#
#  106 ALA  MB          106 ALA  HN          2.80    (#    520:15  Unique         2.47, 2.91 A)
 &rst
  ixpk= 520, nxpk= 15, iat=  -1,1621, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1625,1626,1627,
 &end
#
#   20 ASP  HN           22 GLN  HN          5.50    (#    521:15  Unique         4.68, 4.80 A)
 &rst
  ixpk= 521, nxpk= 15, iat= 304, 340, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   21 TRP  HN           22 GLN  HN          4.50    (#    522:15  Unique         2.38, 2.70 A)
 &rst
  ixpk= 522, nxpk= 15, iat= 316, 340, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   23 GLU  HN           22 GLN  HN          3.50    (#    523:15  Unique         2.65, 2.75 A)
 &rst
  ixpk= 523, nxpk= 15, iat= 357, 340, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   24 ALA  HN           22 GLN  HN          5.50    (#    524:15  Unique         3.84, 3.98 A)
 &rst
  ixpk= 524, nxpk= 15, iat= 372, 340, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:526     22 GLN  HN          5.50    (#    526:15  Single Ambig)
 &rst
  ixpk= 526, nxpk= 15, iat=  -1, 340, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 306,1382,
 &end
#
#   21 TRP  HA           22 GLN  HN          4.50    (#    527:15  Unique         3.56, 3.59 A)
 &rst
  ixpk= 527, nxpk= 15, iat= 318, 340, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   20 ASP  HB+          22 GLN  HN          4.50    (#    528:15  Unique         2.53, 3.63 A)
 &rst
  ixpk= 528, nxpk= 15, iat=  -1, 340, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 308, 309,
 &end
#
#   22 GLN  HB+          22 GLN  HN          2.80    (#    529:15  Unique         2.37, 3.03 A)
 &rst
  ixpk= 529, nxpk= 15, iat=  -1, 340, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 344, 345,
 &end
#
#   22 GLN  HG-          22 GLN  HN          3.50    (#    530:15  Unique         2.04, 2.89 A)
 &rst
  ixpk= 530, nxpk= 15, iat=  -1, 340, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 347, 348,
 &end
#
#   20 ASP  HB-          22 GLN  HN          4.50    (#    532:15  Unique         2.53, 3.63 A)
 &rst
  ixpk= 532, nxpk= 15, iat=  -1, 340, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 308, 309,
 &end
#
#   22 GLN  HA           22 GLN  HN          3.50    (#    533:15  Unique         2.83, 2.87 A)
 &rst
  ixpk= 533, nxpk= 15, iat= 342, 340, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   21 TRP  HB+          22 GLN  HN          5.50    (#    534:15  Unique         3.21, 3.98 A)
 &rst
  ixpk= 534, nxpk= 15, iat=  -1, 340, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 320, 321,
 &end
#
#    0 AMB  15-2:535     22 GLN  HN          4.50    (#    535:15  Single Ambig)
 &rst
  ixpk= 535, nxpk= 15, iat=  -1, 340, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 392, 393, 361, 362,
 &end
#
#   22 GLN  HB-          22 GLN  HN          3.50    (#    536:15  Unique         2.37, 3.03 A)
 &rst
  ixpk= 536, nxpk= 15, iat=  -1, 340, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 344, 345,
 &end
#
#   22 GLN  HG+          22 GLN  HN          4.50    (#    537:15  Unique         2.04, 2.89 A)
 &rst
  ixpk= 537, nxpk= 15, iat=  -1, 340, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 347, 348,
 &end
#
#   19 LYS  HN           18 ALA  HN          5.50    (#    538:15  Unique         4.43, 4.50 A)
 &rst
  ixpk= 538, nxpk= 15, iat= 282, 272, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   15 ILE  HN            0 AMB  15-1:539    4.50    (#    539:15  Single Ambig)
 &rst
  ixpk= 539, nxpk= 15, iat= 225,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1304, 209,
 &end
#
#   86 GLN  HN           85 GLU  HN          3.50    (#    540:15  Unique         2.66, 2.81 A)
 &rst
  ixpk= 540, nxpk= 15, iat=1319,1304, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   84 LEU  HA           85 GLU  HN          2.80    (#    541:15  Unique         2.10, 2.18 A)
 &rst
  ixpk= 541, nxpk= 15, iat=1287,1304, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   16 HIS  HA           85 GLU  HN          3.50    (#    542:15  Unique         2.89, 3.24 A)
 &rst
  ixpk= 542, nxpk= 15, iat= 246,1304, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:543      0 AMB  15-1:543    3.50    (#    543:15  Double Ambig)
 &rst
  ixpk= 543, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1308,1309,2075,2076,
 igr2=1304, 209,
 &end
#
#   85 GLU  HG+          85 GLU  HN          2.80    (#    544:15  Unique         2.07, 2.78 A)
 &rst
  ixpk= 544, nxpk= 15, iat=  -1,1304, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1311,1312,
 &end
#
#    0 AMB  15-2:545     85 GLU  HN          2.80    (#    545:15  Single Ambig)
 &rst
  ixpk= 545, nxpk= 15, iat=  -1,1304, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1311,1312,1308,1309,
 &end
#
#   84 LEU  HB-          85 GLU  HN          5.50    (#    546:15  Unique         3.64, 4.30 A)
 &rst
  ixpk= 546, nxpk= 15, iat=  -1,1304, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1289,1290,
 &end
#
#   77 THR  HA          106 ALA  HN          3.50    (#    547:15  Unique         3.07, 3.19 A)
 &rst
  ixpk= 547, nxpk= 15, iat=1186,1621, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   85 GLU  HA           85 GLU  HN          3.50    (#    548:15  Unique         2.76, 2.80 A)
 &rst
  ixpk= 548, nxpk= 15, iat=1306,1304, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   84 LEU  HB+          85 GLU  HN          4.50    (#    549:15  Unique         3.64, 4.30 A)
 &rst
  ixpk= 549, nxpk= 15, iat=  -1,1304, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1289,1290,
 &end
#
#   17 SER  HA           85 GLU  HN          5.50    (#    550:15  Unique         4.39, 4.75 A)
 &rst
  ixpk= 550, nxpk= 15, iat= 263,1304, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  130 GLN  HN          128 LEU  HN          5.50    (#    551:15  Unique         4.17, 4.23 A)
 &rst
  ixpk= 551, nxpk= 15, iat=1967,1933, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   63 VAL  HA           60 ALA  HN          5.50    (#    553:15  Unique         4.77, 4.88 A)
 &rst
  ixpk= 553, nxpk= 15, iat= 980, 947, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   97 ILE  QD1          60 ALA  HN          5.50    (#    554:15  Unique         4.73, 6.17 A)
 &rst
  ixpk= 554, nxpk= 15, iat=  -1, 947, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1489,1490,1491,
 &end
#
#  126 GLU  HN          128 LEU  HN          5.50    (#    555:15  Unique         3.88, 3.94 A)
 &rst
  ixpk= 555, nxpk= 15, iat=1899,1933, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  127 ILE  HB          128 LEU  HN          3.50    (#    556:15  Unique         2.67, 2.79 A)
 &rst
  ixpk= 556, nxpk= 15, iat=1918,1933, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:557    128 LEU  HN          4.50    (#    557:15  Single Ambig)
 &rst
  ixpk= 557, nxpk= 15, iat=  -1,1933, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1903,1904,1888,1889,
 &end
#
#  127 ILE  HN          128 LEU  HN          2.80    (#    558:15  Unique         2.48, 2.54 A)
 &rst
  ixpk= 558, nxpk= 15, iat=1914,1933, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:559    128 LEU  HN          2.80    (#    559:15  Single Ambig)
 &rst
  ixpk= 559, nxpk= 15, iat=  -1,1933, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1935,1886,
 &end
#
#  127 ILE  HA          128 LEU  HN          4.50    (#    560:15  Unique         3.58, 3.61 A)
 &rst
  ixpk= 560, nxpk= 15, iat=1916,1933, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  128 LEU  HB-         128 LEU  HN          2.80    (#    561:15  Unique         2.40, 3.11 A)
 &rst
  ixpk= 561, nxpk= 15, iat=  -1,1933, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1937,1938,
 &end
#
#    0 AMB  15-2:562    128 LEU  HN          2.80    (#    562:15  Single Ambig)
 &rst
  ixpk= 562, nxpk= 15, iat=  -1,1933, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1940,1937,1938,
 &end
#
#    0 AMB  15-2:563    128 LEU  HN          3.50    (#    563:15  Single Ambig)
 &rst
  ixpk= 563, nxpk= 15, iat=  -1,1933, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1942,1943,1944,1946,1947,1948,1942,1943,1944,1946,
      1947,1948,
 &end
#
#    0 AMB  15-2:564    128 LEU  HN          3.50    (#    564:15  Single Ambig)
 &rst
  ixpk= 564, nxpk= 15, iat=  -1,1933, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1920,1921,1922,1927,1928,1929,
 &end
#
#  102 GLY  HA-         103 LEU  HN          2.80    (#    566:15  Unique         2.25, 2.61 A)
 &rst
  ixpk= 566, nxpk= 15, iat=  -1,1581, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1576,1577,
 &end
#
#   67 HIS  HB+         103 LEU  HN          3.50    (#    567:15  Unique         2.01, 2.91 A)
 &rst
  ixpk= 567, nxpk= 15, iat=  -1,1581, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1039,1040,
 &end
#
#  102 GLY  HA+         103 LEU  HN          4.50    (#    568:15  Unique         2.25, 2.61 A)
 &rst
  ixpk= 568, nxpk= 15, iat=  -1,1581, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1576,1577,
 &end
#
#   65 MET  HG-         103 LEU  HN          5.50    (#    569:15  Unique         4.38, 5.19 A)
 &rst
  ixpk= 569, nxpk= 15, iat=  -1,1581, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1011,1012,
 &end
#
#   29 MET  ME          103 LEU  HN          3.50    (#    570:15  Unique         2.12, 3.48 A)
 &rst
  ixpk= 570, nxpk= 15, iat=  -1,1581, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 455, 456, 457,
 &end
#
#    0 AMB  15-2:571    103 LEU  HN          5.50    (#    571:15  Single Ambig)
 &rst
  ixpk= 571, nxpk= 15, iat=  -1,1581, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1212,1213,1028,1029,
 &end
#
#  103 LEU  HB-         103 LEU  HN          2.80    (#    572:15  Unique         2.83, 3.11 A)
 &rst
  ixpk= 572, nxpk= 15, iat=  -1,1581, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1585,1586,
 &end
#
#  103 LEU  MDY         103 LEU  HN          4.50    (#    573:15  Unique         4.42, 5.47 A)
 &rst
  ixpk= 573, nxpk= 15, iat=  -1,1581, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1590,1591,1592,1594,1595,1596,
 &end
#
#  103 LEU  MDX         103 LEU  HN          4.50    (#    574:15  Unique         4.42, 5.47 A)
 &rst
  ixpk= 574, nxpk= 15, iat=  -1,1581, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1590,1591,1592,1594,1595,1596,
 &end
#
#   67 HIS  HB-         103 LEU  HN          5.50    (#    575:15  Unique         2.01, 2.91 A)
 &rst
  ixpk= 575, nxpk= 15, iat=  -1,1581, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1039,1040,
 &end
#
#    0 AMB  15-2:576     45 ALA  HN          5.50    (#    576:15  Single Ambig)
 &rst
  ixpk= 576, nxpk= 15, iat=  -1, 711, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 677, 658, 659,
 &end
#
#    0 AMB  15-2:577     45 ALA  HN          4.50    (#    577:15  Single Ambig)
 &rst
  ixpk= 577, nxpk= 15, iat=  -1, 711, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 740, 649, 650, 654,
 &end
#
#   46 ILE  HN           45 ALA  HN          3.50    (#    578:15  Unique         2.69, 2.76 A)
 &rst
  ixpk= 578, nxpk= 15, iat= 721, 711, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   44 GLN  HN           45 ALA  HN          3.50    (#    579:15  Unique         2.69, 2.75 A)
 &rst
  ixpk= 579, nxpk= 15, iat= 694, 711, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   41 ASN  HA           45 ALA  HN          4.50    (#    580:15  Unique         3.97, 4.13 A)
 &rst
  ixpk= 580, nxpk= 15, iat= 642, 711, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   45 ALA  HA           45 ALA  HN          3.50    (#    581:15  Unique         2.81, 2.83 A)
 &rst
  ixpk= 581, nxpk= 15, iat= 713, 711, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   44 GLN  HA           45 ALA  HN          4.50    (#    582:15  Unique         3.52, 3.54 A)
 &rst
  ixpk= 582, nxpk= 15, iat= 696, 711, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:583     45 ALA  HN          4.50    (#    583:15  Single Ambig)
 &rst
  ixpk= 583, nxpk= 15, iat=  -1, 711, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 701, 702, 753, 754,
 &end
#
#   44 GLN  HB+          45 ALA  HN          3.50    (#    584:15  Unique         3.06, 3.54 A)
 &rst
  ixpk= 584, nxpk= 15, iat=  -1, 711, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 698, 699,
 &end
#
#   46 ILE  HB           45 ALA  HN          5.50    (#    585:15  Unique         4.55, 4.97 A)
 &rst
  ixpk= 585, nxpk= 15, iat= 725, 711, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   46 ILE  HG1-         45 ALA  HN          5.50    (#    586:15  Unique         4.11, 5.06 A)
 &rst
  ixpk= 586, nxpk= 15, iat=  -1, 711, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 731, 732,
 &end
#
#    0 AMB  15-2:587     45 ALA  HN          5.50    (#    587:15  Single Ambig)
 &rst
  ixpk= 587, nxpk= 15, iat=  -1, 711, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 750, 751, 747, 748,
 &end
#
#   45 ALA  MB           45 ALA  HN          2.80    (#    588:15  Unique         2.44, 2.95 A)
 &rst
  ixpk= 588, nxpk= 15, iat=  -1, 711, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 715, 716, 717,
 &end
#
#   68 ALA  MB           45 ALA  HN          5.50    (#    589:15  Unique         5.13, 5.61 A)
 &rst
  ixpk= 589, nxpk= 15, iat=  -1, 711, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1056,1057,1058,
 &end
#
#   63 VAL  HN           60 ALA  HN          4.50    (#    590:15  Unique         3.17, 3.26 A)
 &rst
  ixpk= 590, nxpk= 15, iat= 978, 947, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   64 ALA  HA           60 ALA  HN          5.50    (#    591:15  Unique         4.06, 4.58 A)
 &rst
  ixpk= 591, nxpk= 15, iat= 996, 947, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   60 ALA  HA           60 ALA  HN          3.50    (#    592:15  Unique         2.86, 2.88 A)
 &rst
  ixpk= 592, nxpk= 15, iat= 949, 947, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:593     60 ALA  HN          3.50    (#    593:15  Single Ambig)
 &rst
  ixpk= 593, nxpk= 15, iat=  -1, 947, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 930, 967,
 &end
#
#   63 VAL  HB           60 ALA  HN          3.50    (#    594:15  Unique         2.33, 2.53 A)
 &rst
  ixpk= 594, nxpk= 15, iat= 982, 947, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   59 LEU  HB+          60 ALA  HN          4.50    (#    595:15  Unique         2.60, 3.30 A)
 &rst
  ixpk= 595, nxpk= 15, iat=  -1, 947, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 932, 933,
 &end
#
#   59 LEU  HB-          60 ALA  HN          4.50    (#    596:15  Unique         2.60, 3.30 A)
 &rst
  ixpk= 596, nxpk= 15, iat=  -1, 947, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 932, 933,
 &end
#
#   60 ALA  MB           60 ALA  HN          3.50    (#    597:15  Unique         2.91, 3.46 A)
 &rst
  ixpk= 597, nxpk= 15, iat=  -1, 947, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 951, 952, 953,
 &end
#
#    0 AMB  15-2:598     60 ALA  HN          3.50    (#    598:15  Single Ambig)
 &rst
  ixpk= 598, nxpk= 15, iat=  -1, 947, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 984, 985, 986, 988, 989, 990, 937, 938, 939, 941,
       942, 943,1942,1943,1944,1946,1947,1948,
 &end
#
#   58 ILE  QG2          60 ALA  HN          2.80    (#    599:15  Unique         2.78, 3.51 A)
 &rst
  ixpk= 599, nxpk= 15, iat=  -1, 947, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 915, 916, 917,
 &end
#
#   43 ILE  HN           45 ALA  HN          5.50    (#    600:15  Unique         3.98, 4.11 A)
 &rst
  ixpk= 600, nxpk= 15, iat= 675, 711, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   42 TYR  HA           45 ALA  HN          4.50    (#    601:15  Unique         3.19, 3.39 A)
 &rst
  ixpk= 601, nxpk= 15, iat= 656, 711, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:602     45 ALA  HN          5.50    (#    602:15  Single Ambig)
 &rst
  ixpk= 602, nxpk= 15, iat=  -1, 711, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1119,1120, 658, 659,
 &end
#
#   61 PRO  HD+          60 ALA  HN          5.50    (#    604:15  Unique         4.57, 4.85 A)
 &rst
  ixpk= 604, nxpk= 15, iat=  -1, 947, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 958, 959,
 &end
#
#  145 SER  HN          143 ILE  HN          5.50    (#    606:15  Unique         3.92, 4.05 A)
 &rst
  ixpk= 606, nxpk= 15, iat=2201,2163, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:607    143 ILE  HN          5.50    (#    607:15  Single Ambig)
 &rst
  ixpk= 607, nxpk= 15, iat=  -1,2163, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2143,2184,
 &end
#
#  142 ASP  HN          143 ILE  HN          3.50    (#    608:15  Unique         2.61, 2.70 A)
 &rst
  ixpk= 608, nxpk= 15, iat=2151,2163, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  142 ASP  HA          143 ILE  HN          4.50    (#    609:15  Unique         3.57, 3.60 A)
 &rst
  ixpk= 609, nxpk= 15, iat=2153,2163, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  139 GLN  HA          143 ILE  HN          5.50    (#    610:15  Unique         3.73, 3.95 A)
 &rst
  ixpk= 610, nxpk= 15, iat=2107,2163, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  140 LEU  HA          143 ILE  HN          4.50    (#    611:15  Unique         3.35, 3.58 A)
 &rst
  ixpk= 611, nxpk= 15, iat=2124,2163, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  143 ILE  HA          143 ILE  HN          3.50    (#    612:15  Unique         2.79, 2.83 A)
 &rst
  ixpk= 612, nxpk= 15, iat=2165,2163, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  142 ASP  HB+         143 ILE  HN          3.50    (#    613:15  Unique         2.56, 3.32 A)
 &rst
  ixpk= 613, nxpk= 15, iat=  -1,2163, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=2155,2156,
 &end
#
#  142 ASP  HB-         143 ILE  HN          4.50    (#    614:15  Unique         2.56, 3.32 A)
 &rst
  ixpk= 614, nxpk= 15, iat=  -1,2163, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=2155,2156,
 &end
#
#  143 ILE  HB          143 ILE  HN          2.80    (#    615:15  Unique         2.18, 2.21 A)
 &rst
  ixpk= 615, nxpk= 15, iat=2167,2163, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:616    143 ILE  HN          5.50    (#    616:15  Single Ambig)
 &rst
  ixpk= 616, nxpk= 15, iat=  -1,2163, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=2145,2146,2147,2040,2041,2042,
 &end
#
#    0 AMB  15-2:617    143 ILE  HN          5.50    (#    617:15  Single Ambig)
 &rst
  ixpk= 617, nxpk= 15, iat=  -1,2163, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2192,2193,2126,2127,
 &end
#
#  143 ILE  HG1-        143 ILE  HN          3.50    (#    618:15  Unique         2.25, 2.97 A)
 &rst
  ixpk= 618, nxpk= 15, iat=  -1,2163, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=2173,2174,
 &end
#
#    0 AMB  15-2:619    143 ILE  HN          3.50    (#    619:15  Single Ambig)
 &rst
  ixpk= 619, nxpk= 15, iat=  -1,2163, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=2176,2177,2178,2169,2170,2171,
 &end
#
#    0 AMB  15-2:620    146 ARG  HN          2.80    (#    620:15  Single Ambig)
 &rst
  ixpk= 620, nxpk= 15, iat=  -1,2212, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=2236,2201,
 &end
#
#  146 ARG  HA          146 ARG  HN          2.80    (#    621:15  Unique         2.70, 2.80 A)
 &rst
  ixpk= 621, nxpk= 15, iat=2214,2212, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  145 SER  HB+         146 ARG  HN          4.50    (#    622:15  Unique         2.85, 3.59 A)
 &rst
  ixpk= 622, nxpk= 15, iat=  -1,2212, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=2205,2206,
 &end
#
#  146 ARG  HB+         146 ARG  HN          2.80    (#    623:15  Unique         1.91, 2.74 A)
 &rst
  ixpk= 623, nxpk= 15, iat=  -1,2212, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=2216,2217,
 &end
#
#  146 ARG  HG+         146 ARG  HN          3.50    (#    624:15  Unique         1.84, 3.38 A)
 &rst
  ixpk= 624, nxpk= 15, iat=  -1,2212, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=2219,2220,
 &end
#
#  146 ARG  HG-         146 ARG  HN          3.50    (#    625:15  Unique         1.84, 3.38 A)
 &rst
  ixpk= 625, nxpk= 15, iat=  -1,2212, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=2219,2220,
 &end
#
#  121 LEU  MDY         146 ARG  HN          5.50    (#    626:15  Unique         4.69, 6.78 A)
 &rst
  ixpk= 626, nxpk= 15, iat=  -1,2212, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1829,1830,1831,1833,1834,1835,
 &end
#
#    0 AMB  15-2:627     34 ASP  HN          5.50    (#    627:15  Single Ambig)
 &rst
  ixpk= 627, nxpk= 15, iat=  -1, 526, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 540, 170,
 &end
#
#    0 AMB  15-2:628     23 GLU  HN          5.50    (#    628:15  Single Ambig)
 &rst
  ixpk= 628, nxpk= 15, iat=  -1, 357, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 374, 284,
 &end
#
#  144 ILE  HA          146 ARG  HN          4.50    (#    629:15  Unique         3.79, 4.28 A)
 &rst
  ixpk= 629, nxpk= 15, iat=2184,2212, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  143 ILE  HA          146 ARG  HN          4.50    (#    630:15  Unique         3.11, 3.44 A)
 &rst
  ixpk= 630, nxpk= 15, iat=2165,2212, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  146 ARG  HD+         146 ARG  HN          5.50    (#    631:15  Unique         4.03, 4.76 A)
 &rst
  ixpk= 631, nxpk= 15, iat=  -1,2212, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2222,2223,
 &end
#
#    0 AMB  15-2:632    146 ARG  HN          4.50    (#    632:15  Single Ambig)
 &rst
  ixpk= 632, nxpk= 15, iat=  -1,2212, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1=1829,1830,1831,1833,1834,1835,2169,2170,2171,
 &end
#
#   33 LEU  HN           34 ASP  HN          3.50    (#    633:15  Unique         2.74, 2.76 A)
 &rst
  ixpk= 633, nxpk= 15, iat= 507, 526, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   36 ASN  HN           34 ASP  HN          5.50    (#    634:15  Unique         3.97, 4.12 A)
 &rst
  ixpk= 634, nxpk= 15, iat= 560, 526, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   35 LYS  HN           34 ASP  HN          3.50    (#    635:15  Unique         2.75, 2.87 A)
 &rst
  ixpk= 635, nxpk= 15, iat= 538, 526, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   32 LEU  HN           34 ASP  HN          5.50    (#    636:15  Unique         3.66, 3.92 A)
 &rst
  ixpk= 636, nxpk= 15, iat= 488, 526, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   34 ASP  HA           34 ASP  HN          3.50    (#    637:15  Unique         2.75, 2.78 A)
 &rst
  ixpk= 637, nxpk= 15, iat= 528, 526, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:638     34 ASP  HN          3.50    (#    638:15  Single Ambig)
 &rst
  ixpk= 638, nxpk= 15, iat=  -1, 526, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 509, 479,
 &end
#
#   30 VAL  HA           34 ASP  HN          4.50    (#    639:15  Unique         3.52, 3.65 A)
 &rst
  ixpk= 639, nxpk= 15, iat= 463, 526, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   34 ASP  HB-          34 ASP  HN          2.80    (#    640:15  Unique         2.31, 2.44 A)
 &rst
  ixpk= 640, nxpk= 15, iat=  -1, 526, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 530, 531,
 &end
#
#   34 ASP  HB+          34 ASP  HN          3.50    (#    641:15  Unique         2.31, 2.44 A)
 &rst
  ixpk= 641, nxpk= 15, iat=  -1, 526, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 530, 531,
 &end
#
#   33 LEU  HB-          34 ASP  HN          3.50    (#    642:15  Unique         2.29, 3.08 A)
 &rst
  ixpk= 642, nxpk= 15, iat=  -1, 526, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 511, 512,
 &end
#
#    0 AMB  15-2:643     34 ASP  HN          4.50    (#    643:15  Single Ambig)
 &rst
  ixpk= 643, nxpk= 15, iat=  -1, 526, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 516, 517, 518, 520, 521, 522, 548, 549, 545, 546,
      
 &end
#
#   33 LEU  HB+          34 ASP  HN          3.50    (#    644:15  Unique         2.29, 3.08 A)
 &rst
  ixpk= 644, nxpk= 15, iat=  -1, 526, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 511, 512,
 &end
#
#    0 AMB  15-2:645     34 ASP  HN          4.50    (#    645:15  Single Ambig)
 &rst
  ixpk= 645, nxpk= 15, iat=  -1, 526, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 467, 468, 469, 471, 472, 473, 467, 468, 469, 471,
       472, 473,
 &end
#
#    0 AMB  15-2:646     34 ASP  HN          5.50    (#    646:15  Single Ambig)
 &rst
  ixpk= 646, nxpk= 15, iat=  -1, 526, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 608, 609, 610, 688, 689, 690,
 &end
#
#    0 AMB  15-2:647     34 ASP  HN          4.50    (#    647:15  Single Ambig)
 &rst
  ixpk= 647, nxpk= 15, iat=  -1, 526, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
 igr1= 516, 517, 518, 520, 521, 522, 514,
 &end
#
#   94 ASP  HN           95 GLU  HN          4.50    (#    648:15  Unique         2.15, 2.67 A)
 &rst
  ixpk= 648, nxpk= 15, iat=1435,1447, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   93 ASN  HB-          95 GLU  HN          4.50    (#    649:15  Unique         2.56, 3.82 A)
 &rst
  ixpk= 649, nxpk= 15, iat=  -1,1447, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1425,1426,
 &end
#
#   94 ASP  HB+          95 GLU  HN          3.50    (#    650:15  Unique         2.73, 3.49 A)
 &rst
  ixpk= 650, nxpk= 15, iat=  -1,1447, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1439,1440,
 &end
#
#   93 ASN  HD2+         95 GLU  HN          5.50    (#    651:15  Unique         3.18, 4.96 A)
 &rst
  ixpk= 651, nxpk= 15, iat=  -1,1447, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1430,1431,
 &end
#
#   93 ASN  HB+          95 GLU  HN          5.50    (#    653:15  Unique         2.56, 3.82 A)
 &rst
  ixpk= 653, nxpk= 15, iat=  -1,1447, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1425,1426,
 &end
#
#   21 TRP  HA           23 GLU  HN          5.50    (#    654:15  Unique         4.06, 4.31 A)
 &rst
  ixpk= 654, nxpk= 15, iat= 318, 357, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   12 ILE  HN           13 SER  HN          5.50    (#    655:15  Unique         4.29, 4.37 A)
 &rst
  ixpk= 655, nxpk= 15, iat= 179, 198, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   95 GLU  HA           95 GLU  HN          3.50    (#    656:15  Unique         2.79, 2.92 A)
 &rst
  ixpk= 656, nxpk= 15, iat=1449,1447, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:657      0 AMB  15-1:657    3.50    (#    657:15  Double Ambig)
 &rst
  ixpk= 657, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1497,1437,
 igr2=1517,1447,
 &end
#
#   95 GLU  HG+          95 GLU  HN          3.50    (#    658:15  Unique         2.82, 3.64 A)
 &rst
  ixpk= 658, nxpk= 15, iat=  -1,1447, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1454,1455,
 &end
#
#   95 GLU  HB+          95 GLU  HN          2.80    (#    659:15  Unique         2.15, 3.26 A)
 &rst
  ixpk= 659, nxpk= 15, iat=  -1,1447, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1451,1452,
 &end
#
#   24 ALA  HN           23 GLU  HN          3.50    (#    660:15  Unique         2.45, 2.60 A)
 &rst
  ixpk= 660, nxpk= 15, iat= 372, 357, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:661     23 GLU  HN          4.50    (#    661:15  Single Ambig)
 &rst
  ixpk= 661, nxpk= 15, iat=  -1, 357, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 295, 296, 342,
 &end
#
#   20 ASP  HN           23 GLU  HN          4.50    (#    662:15  Unique         2.98, 3.21 A)
 &rst
  ixpk= 662, nxpk= 15, iat= 304, 357, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   22 GLN  HN           23 GLU  HN          3.50    (#    663:15  Unique         2.65, 2.75 A)
 &rst
  ixpk= 663, nxpk= 15, iat= 340, 357, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   23 GLU  HA           23 GLU  HN          3.50    (#    664:15  Unique         2.83, 2.87 A)
 &rst
  ixpk= 664, nxpk= 15, iat= 359, 357, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   23 GLU  HB+          23 GLU  HN          3.50    (#    665:15  Unique         2.20, 2.50 A)
 &rst
  ixpk= 665, nxpk= 15, iat=  -1, 357, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 361, 362,
 &end
#
#   22 GLN  HB+          23 GLU  HN          3.50    (#    666:15  Unique         2.44, 3.06 A)
 &rst
  ixpk= 666, nxpk= 15, iat=  -1, 357, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 344, 345,
 &end
#
#   22 GLN  HB-          23 GLU  HN          3.50    (#    667:15  Unique         2.44, 3.06 A)
 &rst
  ixpk= 667, nxpk= 15, iat=  -1, 357, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 344, 345,
 &end
#
#   22 GLN  HG-          23 GLU  HN          5.50    (#    668:15  Unique         4.28, 4.73 A)
 &rst
  ixpk= 668, nxpk= 15, iat=  -1, 357, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 347, 348,
 &end
#
#   83 LEU  HN           13 SER  HN          4.50    (#    669:15  Unique         3.74, 4.00 A)
 &rst
  ixpk= 669, nxpk= 15, iat=1266, 198, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   13 SER  HB-          13 SER  HN          4.50    (#    670:15  Unique         2.89, 3.48 A)
 &rst
  ixpk= 670, nxpk= 15, iat=  -1, 198, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 202, 203,
 &end
#
#   82 THR  MG2          13 SER  HN          4.50    (#    671:15  Unique         4.24, 5.52 A)
 &rst
  ixpk= 671, nxpk= 15, iat=  -1, 198, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1258,1259,1260,
 &end
#
#   14 VAL  HN           13 SER  HN          5.50    (#    672:15  Unique         3.72, 4.19 A)
 &rst
  ixpk= 672, nxpk= 15, iat= 209, 198, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   12 ILE  HA           13 SER  HN          2.80    (#    673:15  Unique         2.14, 2.24 A)
 &rst
  ixpk= 673, nxpk= 15, iat= 181, 198, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   82 THR  HA           13 SER  HN          3.50    (#    674:15  Unique         2.63, 2.96 A)
 &rst
  ixpk= 674, nxpk= 15, iat=1254, 198, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   13 SER  HA           13 SER  HN          3.50    (#    675:15  Unique         2.84, 2.87 A)
 &rst
  ixpk= 675, nxpk= 15, iat= 200, 198, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   13 SER  HB+          13 SER  HN          4.50    (#    676:15  Unique         2.89, 3.48 A)
 &rst
  ixpk= 676, nxpk= 15, iat=  -1, 198, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 202, 203,
 &end
#
#    0 AMB  15-2:677     13 SER  HN          4.50    (#    677:15  Single Ambig)
 &rst
  ixpk= 677, nxpk= 15, iat=  -1, 198, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1237,1238, 183,
 &end
#
#   12 ILE  QG2          13 SER  HN          3.50    (#    678:15  Unique         2.52, 3.42 A)
 &rst
  ixpk= 678, nxpk= 15, iat=  -1, 198, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 185, 186, 187,
 &end
#
#   12 ILE  QD1          13 SER  HN          5.50    (#    679:15  Unique         5.57, 5.97 A)
 &rst
  ixpk= 679, nxpk= 15, iat=  -1, 198, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 192, 193, 194,
 &end
#
#  137 GLU  HG+         138 LYS  HN          4.50    (#    680:15  Unique         3.97, 4.92 A)
 &rst
  ixpk= 680, nxpk= 15, iat=  -1,2083, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=2075,2076,
 &end
#
#   21 TRP  HN           23 GLU  HN          5.50    (#    681:15  Unique         3.86, 4.23 A)
 &rst
  ixpk= 681, nxpk= 15, iat= 316, 357, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  100 LEU  HN           99 LEU  HN          5.50    (#    683:15  Unique         4.28, 4.44 A)
 &rst
  ixpk= 683, nxpk= 15, iat=1536,1517, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:684     99 LEU  HN          4.50    (#    684:15  Single Ambig)
 &rst
  ixpk= 684, nxpk= 15, iat=  -1,1517, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 994,1476,
 &end
#
#   98 LYS  HN           99 LEU  HN          2.80    (#    685:15  Unique         2.37, 2.79 A)
 &rst
  ixpk= 685, nxpk= 15, iat=1495,1517, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   99 LEU  HA           99 LEU  HN          3.50    (#    686:15  Unique         2.93, 2.97 A)
 &rst
  ixpk= 686, nxpk= 15, iat=1519,1517, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   63 VAL  HA           99 LEU  HN          3.50    (#    687:15  Unique         2.86, 3.23 A)
 &rst
  ixpk= 687, nxpk= 15, iat= 980,1517, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   97 ILE  HA           99 LEU  HN          3.50    (#    688:15  Unique         3.03, 3.42 A)
 &rst
  ixpk= 688, nxpk= 15, iat=1478,1517, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   98 LYS  HB-          99 LEU  HN          3.50    (#    689:15  Unique         2.38, 3.51 A)
 &rst
  ixpk= 689, nxpk= 15, iat=  -1,1517, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1499,1500,
 &end
#
#    0 AMB  15-2:690     99 LEU  HN          3.50    (#    690:15  Single Ambig)
 &rst
  ixpk= 690, nxpk= 15, iat=  -1,1517, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1526,1527,1528,1530,1531,1532,2012,2013,2014,2016,
      2017,2018,2012,2013,2014,2016,2017,2018,
 &end
#
#    0 AMB  15-2:691      0 AMB  15-1:691    4.50    (#    691:15  Double Ambig)
 &rst
  ixpk= 691, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 973, 974, 973, 974,
 igr2=1517,1447,
 &end
#
#   99 LEU  HB-          99 LEU  HN          3.50    (#    692:15  Unique         2.31, 2.85 A)
 &rst
  ixpk= 692, nxpk= 15, iat=  -1,1517, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1521,1522,
 &end
#
#   97 ILE  QG2          99 LEU  HN          3.50    (#    693:15  Unique         2.03, 3.27 A)
 &rst
  ixpk= 693, nxpk= 15, iat=  -1,1517, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1482,1483,1484,
 &end
#
#  137 GLU  HN          138 LYS  HN          4.50    (#    694:15  Unique         2.50, 2.81 A)
 &rst
  ixpk= 694, nxpk= 15, iat=2068,2083, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  139 GLN  HN          138 LYS  HN          3.50    (#    695:15  Unique         2.80, 2.92 A)
 &rst
  ixpk= 695, nxpk= 15, iat=2105,2083, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  140 LEU  HN          138 LYS  HN          5.50    (#    696:15  Unique         4.31, 4.41 A)
 &rst
  ixpk= 696, nxpk= 15, iat=2122,2083, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  136 SER  HB+         138 LYS  HN          4.50    (#    698:15  Unique         2.40, 3.13 A)
 &rst
  ixpk= 698, nxpk= 15, iat=  -1,2083, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=2061,2062,
 &end
#
#  138 LYS  HA          138 LYS  HN          3.50    (#    699:15  Unique         2.75, 2.80 A)
 &rst
  ixpk= 699, nxpk= 15, iat=2085,2083, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  137 GLU  HA          138 LYS  HN          5.50    (#    700:15  Unique         3.43, 3.54 A)
 &rst
  ixpk= 700, nxpk= 15, iat=2070,2083, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  137 GLU  HB-         138 LYS  HN          3.50    (#    701:15  Unique         2.61, 3.34 A)
 &rst
  ixpk= 701, nxpk= 15, iat=  -1,2083, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=2072,2073,
 &end
#
#  137 GLU  HB+         138 LYS  HN          4.50    (#    702:15  Unique         2.61, 3.34 A)
 &rst
  ixpk= 702, nxpk= 15, iat=  -1,2083, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=2072,2073,
 &end
#
#  138 LYS  HB-         138 LYS  HN          2.80    (#    703:15  Unique         2.28, 2.79 A)
 &rst
  ixpk= 703, nxpk= 15, iat=  -1,2083, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=2087,2088,
 &end
#
#    0 AMB  15-2:704    138 LYS  HN          2.80    (#    704:15  Single Ambig)
 &rst
  ixpk= 704, nxpk= 15, iat=  -1,2083, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=2093,2094,2087,2088,
 &end
#
#  138 LYS  HG-         138 LYS  HN          4.50    (#    705:15  Unique         2.14, 3.78 A)
 &rst
  ixpk= 705, nxpk= 15, iat=  -1,2083, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=2090,2091,
 &end
#
#    6 TYR  HA            5 ASP  HN          5.50    (#    706:15  Unique         5.11, 5.29 A)
 &rst
  ixpk= 706, nxpk= 15, iat=  89,  75, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    4 SER  HN            5 ASP  HN          3.50    (#    707:15  Unique         2.79, 2.99 A)
 &rst
  ixpk= 707, nxpk= 15, iat=  64,  75, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    6 TYR  HN            5 ASP  HN          2.80    (#    708:15  Unique         2.48, 2.64 A)
 &rst
  ixpk= 708, nxpk= 15, iat=  87,  75, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:710      5 ASP  HN          4.50    (#    710:15  Single Ambig)
 &rst
  ixpk= 710, nxpk= 15, iat=  -1,  75, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 108, 116, 124,
 &end
#
#    6 TYR  HD            5 ASP  HN          4.50    (#    711:15  Unique         3.34, 5.44 A)
 &rst
  ixpk= 711, nxpk= 15, iat=  -1,  75, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=  95, 104,
 &end
#
#    5 ASP  HA            5 ASP  HN          3.50    (#    712:15  Unique         2.83, 2.85 A)
 &rst
  ixpk= 712, nxpk= 15, iat=  77,  75, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    3 LEU  HA            5 ASP  HN          5.50    (#    713:15  Unique         3.35, 3.84 A)
 &rst
  ixpk= 713, nxpk= 15, iat=  47,  75, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:714      5 ASP  HN          4.50    (#    714:15  Single Ambig)
 &rst
  ixpk= 714, nxpk= 15, iat=  -1,  75, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=  68,  69,  66,
 &end
#
#    4 SER  HB+           5 ASP  HN          5.50    (#    715:15  Unique         3.05, 4.01 A)
 &rst
  ixpk= 715, nxpk= 15, iat=  -1,  75, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  68,  69,
 &end
#
#    5 ASP  HB+           5 ASP  HN          2.80    (#    716:15  Unique         2.44, 2.51 A)
 &rst
  ixpk= 716, nxpk= 15, iat=  -1,  75, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=  79,  80,
 &end
#
#    5 ASP  HB-           5 ASP  HN          3.50    (#    717:15  Unique         2.44, 2.51 A)
 &rst
  ixpk= 717, nxpk= 15, iat=  -1,  75, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=  79,  80,
 &end
#
#    2 ARG  HB-           5 ASP  HN          4.50    (#    718:15  Unique         2.68, 3.41 A)
 &rst
  ixpk= 718, nxpk= 15, iat=  -1,  75, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=  25,  26,
 &end
#
#    2 ARG  HB+           5 ASP  HN          3.50    (#    719:15  Unique         2.68, 3.41 A)
 &rst
  ixpk= 719, nxpk= 15, iat=  -1,  75, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=  25,  26,
 &end
#
#   57 TYR  HN           56 TYR  HN          3.50    (#    720:15  Unique         2.10, 2.65 A)
 &rst
  ixpk= 720, nxpk= 15, iat= 888, 867, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   56 TYR  HB-          56 TYR  HN          4.50    (#    721:15  Unique         2.04, 2.97 A)
 &rst
  ixpk= 721, nxpk= 15, iat=  -1, 867, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 871, 872,
 &end
#
#   56 TYR  HD           56 TYR  HN          2.80    (#    722:15  Unique         2.11, 3.83 A)
 &rst
  ixpk= 722, nxpk= 15, iat=  -1, 867, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 875, 884,
 &end
#
#   55 PRO  HA           56 TYR  HN          2.80    (#    725:15  Unique         2.00, 2.17 A)
 &rst
  ixpk= 725, nxpk= 15, iat= 863, 867, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   56 TYR  HB+          56 TYR  HN          4.50    (#    726:15  Unique         2.04, 2.97 A)
 &rst
  ixpk= 726, nxpk= 15, iat=  -1, 867, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 871, 872,
 &end
#
#   55 PRO  HB+          56 TYR  HN          4.50    (#    727:15  Unique         2.93, 3.94 A)
 &rst
  ixpk= 727, nxpk= 15, iat=  -1, 867, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 860, 861,
 &end
#
#   47 LYS  HG+          48 ASP  HN          4.50    (#    728:15  Unique         4.31, 4.85 A)
 &rst
  ixpk= 728, nxpk= 15, iat=  -1, 762, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 747, 748,
 &end
#
#   44 GLN  HE2+         48 ASP  HN          5.50    (#    729:15  Unique         3.41, 4.49 A)
 &rst
  ixpk= 729, nxpk= 15, iat=  -1, 762, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 706, 707,
 &end
#
#    0 AMB  15-2:730     48 ASP  HN          4.50    (#    730:15  Single Ambig)
 &rst
  ixpk= 730, nxpk= 15, iat=  -1, 762, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 713, 778, 779,
 &end
#
#    0 AMB  15-2:731     99 LEU  HN          4.50    (#    731:15  Single Ambig)
 &rst
  ixpk= 731, nxpk= 15, iat=  -1,1517, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1524,1289,1290,
 &end
#
#   49 SER  HN           48 ASP  HN          3.50    (#    732:15  Unique         2.69, 2.87 A)
 &rst
  ixpk= 732, nxpk= 15, iat= 774, 762, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:733     48 ASP  HN          5.50    (#    733:15  Single Ambig)
 &rst
  ixpk= 733, nxpk= 15, iat=  -1, 762, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 785, 799,
 &end
#
#   47 LYS  HN           48 ASP  HN          3.50    (#    734:15  Unique         2.73, 2.81 A)
 &rst
  ixpk= 734, nxpk= 15, iat= 740, 762, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   48 ASP  HA           48 ASP  HN          2.80    (#    735:15  Unique         2.78, 2.81 A)
 &rst
  ixpk= 735, nxpk= 15, iat= 764, 762, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   44 GLN  HA           48 ASP  HN          4.50    (#    736:15  Unique         3.58, 3.77 A)
 &rst
  ixpk= 736, nxpk= 15, iat= 696, 762, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   48 ASP  HB-          48 ASP  HN          2.80    (#    737:15  Unique         2.42, 2.50 A)
 &rst
  ixpk= 737, nxpk= 15, iat=  -1, 762, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 766, 767,
 &end
#
#    0 AMB  15-2:738     48 ASP  HN          2.80    (#    738:15  Single Ambig)
 &rst
  ixpk= 738, nxpk= 15, iat=  -1, 762, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 744, 745, 744, 745,
 &end
#
#   51 ILE  QD1          48 ASP  HN          5.50    (#    739:15  Unique         4.16, 5.31 A)
 &rst
  ixpk= 739, nxpk= 15, iat=  -1, 762, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 812, 813, 814,
 &end
#
#  138 LYS  HA          141 ALA  HN          4.50    (#    740:15  Unique         3.20, 3.55 A)
 &rst
  ixpk= 740, nxpk= 15, iat=2085,2141, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  140 LEU  HB-         141 ALA  HN          3.50    (#    741:15  Unique         2.48, 3.06 A)
 &rst
  ixpk= 741, nxpk= 15, iat=  -1,2141, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=2126,2127,
 &end
#
#  140 LEU  MDY         141 ALA  HN          4.50    (#    742:15  Unique         3.89, 5.61 A)
 &rst
  ixpk= 742, nxpk= 15, iat=  -1,2141, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=2131,2132,2133,2135,2136,2137,
 &end
#
#  129 GLU  HN          127 ILE  HN          5.50    (#    743:15  Unique         4.25, 4.33 A)
 &rst
  ixpk= 743, nxpk= 15, iat=1952,1914, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  128 LEU  HB-         127 ILE  HN          5.50    (#    744:15  Unique         4.52, 5.43 A)
 &rst
  ixpk= 744, nxpk= 15, iat=  -1,1914, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1937,1938,
 &end
#
#  126 GLU  HN          127 ILE  HN          3.50    (#    745:15  Unique         2.56, 2.62 A)
 &rst
  ixpk= 745, nxpk= 15, iat=1899,1914, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  128 LEU  HN          127 ILE  HN          2.80    (#    746:15  Unique         2.48, 2.54 A)
 &rst
  ixpk= 746, nxpk= 15, iat=1933,1914, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  126 GLU  HA          127 ILE  HN          4.50    (#    747:15  Unique         3.54, 3.55 A)
 &rst
  ixpk= 747, nxpk= 15, iat=1901,1914, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:748    127 ILE  HN          5.50    (#    748:15  Single Ambig)
 &rst
  ixpk= 748, nxpk= 15, iat=  -1,1914, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1886,1935,
 &end
#
#  127 ILE  HA          127 ILE  HN          3.50    (#    749:15  Unique         2.89, 2.89 A)
 &rst
  ixpk= 749, nxpk= 15, iat=1916,1914, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  127 ILE  HB          127 ILE  HN          2.80    (#    750:15  Unique         2.18, 2.23 A)
 &rst
  ixpk= 750, nxpk= 15, iat=1918,1914, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  126 GLU  HB+         127 ILE  HN          2.80    (#    751:15  Unique         2.43, 3.07 A)
 &rst
  ixpk= 751, nxpk= 15, iat=  -1,1914, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1903,1904,
 &end
#
#  127 ILE  HG1-        127 ILE  HN          3.50    (#    752:15  Unique         3.88, 3.96 A)
 &rst
  ixpk= 752, nxpk= 15, iat=  -1,1914, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1924,1925,
 &end
#
#  127 ILE  HG1+        127 ILE  HN          3.50    (#    753:15  Unique         3.88, 3.96 A)
 &rst
  ixpk= 753, nxpk= 15, iat=  -1,1914, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1924,1925,
 &end
#
#  127 ILE  QD1         127 ILE  HN          3.50    (#    754:15  Unique         2.37, 3.11 A)
 &rst
  ixpk= 754, nxpk= 15, iat=  -1,1914, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1927,1928,1929,
 &end
#
#  139 GLN  HN          141 ALA  HN          5.50    (#    755:15  Unique         4.19, 4.39 A)
 &rst
  ixpk= 755, nxpk= 15, iat=2105,2141, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  140 LEU  HN          141 ALA  HN          3.50    (#    756:15  Unique         2.50, 2.68 A)
 &rst
  ixpk= 756, nxpk= 15, iat=2122,2141, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  142 ASP  HA          141 ALA  HN          5.50    (#    757:15  Unique         5.36, 5.43 A)
 &rst
  ixpk= 757, nxpk= 15, iat=2153,2141, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:758    141 ALA  HN          4.50    (#    758:15  Single Ambig)
 &rst
  ixpk= 758, nxpk= 15, iat=  -1,2141, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=2124,2070,
 &end
#
#  141 ALA  HA          141 ALA  HN          3.50    (#    759:15  Unique         2.79, 2.84 A)
 &rst
  ixpk= 759, nxpk= 15, iat=2143,2141, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:760    141 ALA  HN          4.50    (#    760:15  Single Ambig)
 &rst
  ixpk= 760, nxpk= 15, iat=  -1,2141, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=2072,2073,2109,2110,
 &end
#
#  140 LEU  HB+         141 ALA  HN          2.80    (#    761:15  Unique         2.48, 3.06 A)
 &rst
  ixpk= 761, nxpk= 15, iat=  -1,2141, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=2126,2127,
 &end
#
#   81 LEU  HB+         141 ALA  HN          5.50    (#    762:15  Unique         5.71, 6.22 A)
 &rst
  ixpk= 762, nxpk= 15, iat=  -1,2141, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1237,1238,
 &end
#
#  141 ALA  MB          141 ALA  HN          2.80    (#    763:15  Unique         2.46, 2.89 A)
 &rst
  ixpk= 763, nxpk= 15, iat=  -1,2141, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=2145,2146,2147,
 &end
#
#   12 ILE  QG2         141 ALA  HN          3.50    (#    764:15  Unique         2.41, 4.03 A)
 &rst
  ixpk= 764, nxpk= 15, iat=  -1,2141, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 185, 186, 187,
 &end
#
#   12 ILE  QD1         141 ALA  HN          4.50    (#    765:15  Unique         2.53, 3.99 A)
 &rst
  ixpk= 765, nxpk= 15, iat=  -1,2141, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 192, 193, 194,
 &end
#
#   34 ASP  HN           32 LEU  HN          5.50    (#    766:15  Unique         3.66, 3.92 A)
 &rst
  ixpk= 766, nxpk= 15, iat= 526, 488, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   29 MET  HA           32 LEU  HN          5.50    (#    767:15  Unique         3.52, 3.63 A)
 &rst
  ixpk= 767, nxpk= 15, iat= 446, 488, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:768     32 LEU  HN          4.50    (#    768:15  Single Ambig)
 &rst
  ixpk= 768, nxpk= 15, iat=  -1, 488, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 479, 509,
 &end
#
#   31 SER  HB+          32 LEU  HN          4.50    (#    769:15  Unique         2.66, 3.48 A)
 &rst
  ixpk= 769, nxpk= 15, iat=  -1, 488, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 481, 482,
 &end
#
#   38 ILE  HG1+         32 LEU  HN          4.50    (#    770:15  Unique         4.63, 5.27 A)
 &rst
  ixpk= 770, nxpk= 15, iat=  -1, 488, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 605, 606,
 &end
#
#   32 LEU  MDX          32 LEU  HN          4.50    (#    771:15  Unique         3.47, 4.51 A)
 &rst
  ixpk= 771, nxpk= 15, iat=  -1, 488, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 497, 498, 499, 501, 502, 503,
 &end
#
#   41 ASN  HN           40 GLU  HN          4.50    (#    772:15  Unique         2.65, 2.82 A)
 &rst
  ixpk= 772, nxpk= 15, iat= 640, 625, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   39 SER  HB-          40 GLU  HN          2.80    (#    774:15  Unique         2.58, 3.27 A)
 &rst
  ixpk= 774, nxpk= 15, iat=  -1, 625, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 618, 619,
 &end
#
#   40 GLU  HA           40 GLU  HN          3.50    (#    775:15  Unique         2.78, 2.82 A)
 &rst
  ixpk= 775, nxpk= 15, iat= 627, 625, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:776     40 GLU  HN          2.80    (#    776:15  Single Ambig)
 &rst
  ixpk= 776, nxpk= 15, iat=  -1, 625, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 632, 633, 629, 630,
 &end
#
#    0 AMB  15-2:777     40 GLU  HN          5.50    (#    777:15  Single Ambig)
 &rst
  ixpk= 777, nxpk= 15, iat=  -1, 625, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 688, 689, 690, 608, 609, 610,
 &end
#
#   33 LEU  MDX          40 GLU  HN          3.50    (#    778:15  Unique         3.02, 4.68 A)
 &rst
  ixpk= 778, nxpk= 15, iat=  -1, 625, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 516, 517, 518, 520, 521, 522,
 &end
#
#   71 GLU  HN           72 CYS  HN          3.50    (#    780:15  Unique         2.85, 2.92 A)
 &rst
  ixpk= 780, nxpk= 15, iat=1100,1115, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   73 GLY  HN           72 CYS  HN          3.50    (#    781:15  Unique         2.49, 2.55 A)
 &rst
  ixpk= 781, nxpk= 15, iat=1126,1115, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   42 TYR  HD           72 CYS  HN          5.50    (#    782:15  Unique         3.47, 5.67 A)
 &rst
  ixpk= 782, nxpk= 15, iat=  -1,1115, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 662, 671,
 &end
#
#    0 AMB  15-2:783     72 CYS  HN          4.50    (#    783:15  Single Ambig)
 &rst
  ixpk= 783, nxpk= 15, iat=  -1,1115, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1096,1064,
 &end
#
#   72 CYS  HB+          72 CYS  HN          2.80    (#    784:15  Unique         2.41, 3.04 A)
 &rst
  ixpk= 784, nxpk= 15, iat=  -1,1115, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1119,1120,
 &end
#
#   71 GLU  HG-          72 CYS  HN          4.50    (#    785:15  Unique         2.94, 3.84 A)
 &rst
  ixpk= 785, nxpk= 15, iat=  -1,1115, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1107,1108,
 &end
#
#    0 AMB  15-2:786     72 CYS  HN          3.50    (#    786:15  Single Ambig)
 &rst
  ixpk= 786, nxpk= 15, iat=  -1,1115, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1066,1067,1104,1105,
 &end
#
#   69 ARG  HB+          72 CYS  HN          4.50    (#    787:15  Unique         3.28, 3.91 A)
 &rst
  ixpk= 787, nxpk= 15, iat=  -1,1115, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1066,1067,
 &end
#
#   72 CYS  HA           72 CYS  HN          3.50    (#    789:15  Unique         2.93, 2.94 A)
 &rst
  ixpk= 789, nxpk= 15, iat=1117,1115, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   71 GLU  HG+          72 CYS  HN          5.50    (#    790:15  Unique         2.94, 3.84 A)
 &rst
  ixpk= 790, nxpk= 15, iat=  -1,1115, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1107,1108,
 &end
#
#   68 ALA  MB           72 CYS  HN          5.50    (#    791:15  Unique         4.22, 5.15 A)
 &rst
  ixpk= 791, nxpk= 15, iat=  -1,1115, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1056,1057,1058,
 &end
#
#   33 LEU  HN           32 LEU  HN          3.50    (#    792:15  Unique         2.19, 2.35 A)
 &rst
  ixpk= 792, nxpk= 15, iat= 507, 488, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   31 SER  HN           32 LEU  HN          3.50    (#    793:15  Unique         2.64, 2.76 A)
 &rst
  ixpk= 793, nxpk= 15, iat= 477, 488, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:794     32 LEU  HN          3.50    (#    794:15  Single Ambig)
 &rst
  ixpk= 794, nxpk= 15, iat=  -1, 488, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 481, 482, 490,
 &end
#
#   32 LEU  HB+          32 LEU  HN          3.50    (#    795:15  Unique         2.32, 3.00 A)
 &rst
  ixpk= 795, nxpk= 15, iat=  -1, 488, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 492, 493,
 &end
#
#   32 LEU  HG           32 LEU  HN          2.80    (#    796:15  Unique         2.20, 2.52 A)
 &rst
  ixpk= 796, nxpk= 15, iat= 495, 488, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   32 LEU  MDY          32 LEU  HN          4.50    (#    797:15  Unique         3.47, 4.51 A)
 &rst
  ixpk= 797, nxpk= 15, iat=  -1, 488, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 497, 498, 499, 501, 502, 503,
 &end
#
#    0 AMB  15-2:798     40 GLU  HN          3.50    (#    798:15  Single Ambig)
 &rst
  ixpk= 798, nxpk= 15, iat=  -1, 625, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 632, 633, 629, 630,
 &end
#
#  119 SER  HN          120 GLU  HN          3.50    (#    801:15  Unique         2.79, 2.85 A)
 &rst
  ixpk= 801, nxpk= 15, iat=1794,1805, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  121 LEU  HN          120 GLU  HN          2.80    (#    802:15  Unique         2.38, 2.44 A)
 &rst
  ixpk= 802, nxpk= 15, iat=1820,1805, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:803    120 GLU  HN          2.80    (#    803:15  Single Ambig)
 &rst
  ixpk= 803, nxpk= 15, iat=  -1,1805, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1807,1777,1796,
 &end
#
#  120 GLU  HG+         120 GLU  HN          3.50    (#    804:15  Unique         2.20, 2.89 A)
 &rst
  ixpk= 804, nxpk= 15, iat=  -1,1805, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1812,1813,
 &end
#
#  120 GLU  HB+         120 GLU  HN          2.80    (#    805:15  Unique         2.47, 3.07 A)
 &rst
  ixpk= 805, nxpk= 15, iat=  -1,1805, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1809,1810,
 &end
#
#  121 LEU  HB-         120 GLU  HN          4.50    (#    806:15  Unique         4.73, 5.40 A)
 &rst
  ixpk= 806, nxpk= 15, iat=  -1,1805, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1824,1825,
 &end
#
#    0 AMB  15-2:807    120 GLU  HN          5.50    (#    807:15  Single Ambig)
 &rst
  ixpk= 807, nxpk= 15, iat=  -1,1805, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1=1779,1780,1769,1770,1771,
 &end
#
#    8 PRO  HD+           7 PHE  HN          5.50    (#    808:15  Unique         4.19, 4.82 A)
 &rst
  ixpk= 808, nxpk= 15, iat=  -1, 108, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 129, 130,
 &end
#
#  144 ILE  QG2           7 PHE  HN          5.50    (#    809:15  Unique         4.21, 5.01 A)
 &rst
  ixpk= 809, nxpk= 15, iat=  -1, 108, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=2188,2189,2190,
 &end
#
#    6 TYR  HN            7 PHE  HN          3.50    (#    810:15  Unique         1.99, 2.38 A)
 &rst
  ixpk= 810, nxpk= 15, iat=  87, 108, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    7 PHE  HA            7 PHE  HN          3.50    (#    811:15  Unique         2.92, 2.96 A)
 &rst
  ixpk= 811, nxpk= 15, iat= 110, 108, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    5 ASP  HA            7 PHE  HN          5.50    (#    812:15  Unique         4.16, 4.48 A)
 &rst
  ixpk= 812, nxpk= 15, iat=  77, 108, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    6 TYR  HA            7 PHE  HN          4.50    (#    813:15  Unique         3.47, 3.53 A)
 &rst
  ixpk= 813, nxpk= 15, iat=  89, 108, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    4 SER  HA            7 PHE  HN          4.50    (#    814:15  Unique         2.69, 3.15 A)
 &rst
  ixpk= 814, nxpk= 15, iat=  66, 108, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    7 PHE  HB+           7 PHE  HN          2.80    (#    815:15  Unique         2.27, 3.01 A)
 &rst
  ixpk= 815, nxpk= 15, iat=  -1, 108, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 112, 113,
 &end
#
#    6 TYR  HB-           7 PHE  HN          5.50    (#    816:15  Unique         2.90, 3.55 A)
 &rst
  ixpk= 816, nxpk= 15, iat=  -1, 108, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  91,  92,
 &end
#
#    5 ASP  HN            7 PHE  HN          5.50    (#    817:15  Unique         3.99, 4.20 A)
 &rst
  ixpk= 817, nxpk= 15, iat=  75, 108, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  132 LEU  HN          131 LEU  HN          3.50    (#    819:15  Unique         2.53, 2.62 A)
 &rst
  ixpk= 819, nxpk= 15, iat=2003,1984, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  130 GLN  HN          131 LEU  HN          2.80    (#    820:15  Unique         2.46, 2.50 A)
 &rst
  ixpk= 820, nxpk= 15, iat=1967,1984, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  128 LEU  HA          131 LEU  HN          3.50    (#    821:15  Unique         3.52, 3.56 A)
 &rst
  ixpk= 821, nxpk= 15, iat=1935,1984, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:822    131 LEU  HN          2.80    (#    822:15  Single Ambig)
 &rst
  ixpk= 822, nxpk= 15, iat=  -1,1984, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1986,1969,1916,
 &end
#
#  130 GLN  HB-         131 LEU  HN          3.50    (#    823:15  Unique         2.63, 3.28 A)
 &rst
  ixpk= 823, nxpk= 15, iat=  -1,1984, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1971,1972,
 &end
#
#  131 LEU  HB+         131 LEU  HN          2.80    (#    824:15  Unique         2.38, 3.08 A)
 &rst
  ixpk= 824, nxpk= 15, iat=  -1,1984, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1988,1989,
 &end
#
#  131 LEU  HG          131 LEU  HN          2.80    (#    825:15  Unique         2.17, 2.31 A)
 &rst
  ixpk= 825, nxpk= 15, iat=1991,1984, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  131 LEU  HB-         131 LEU  HN          3.50    (#    826:15  Unique         2.38, 3.08 A)
 &rst
  ixpk= 826, nxpk= 15, iat=  -1,1984, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1988,1989,
 &end
#
#    0 AMB  15-2:827    131 LEU  HN          2.80    (#    827:15  Single Ambig)
 &rst
  ixpk= 827, nxpk= 15, iat=  -1,1984, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=2176,2177,2178,2169,2170,2171,
 &end
#
#    0 AMB  15-2:828     24 ALA  HN          2.80    (#    828:15  Single Ambig)
 &rst
  ixpk= 828, nxpk= 15, iat=  -1, 372, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 357, 382,
 &end
#
#   20 ASP  HN           24 ALA  HN          4.50    (#    829:15  Unique         3.27, 3.38 A)
 &rst
  ixpk= 829, nxpk= 15, iat= 304, 372, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   22 GLN  HN           24 ALA  HN          5.50    (#    831:15  Unique         3.84, 3.98 A)
 &rst
  ixpk= 831, nxpk= 15, iat= 340, 372, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   24 ALA  HA           24 ALA  HN          3.50    (#    832:15  Unique         2.80, 2.83 A)
 &rst
  ixpk= 832, nxpk= 15, iat= 374, 372, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   23 GLU  HA           24 ALA  HN          4.50    (#    833:15  Unique         3.54, 3.55 A)
 &rst
  ixpk= 833, nxpk= 15, iat= 359, 372, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   21 TRP  HA           24 ALA  HN          4.50    (#    834:15  Unique         2.78, 2.95 A)
 &rst
  ixpk= 834, nxpk= 15, iat= 318, 372, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   22 GLN  HA           24 ALA  HN          5.50    (#    835:15  Unique         4.39, 4.51 A)
 &rst
  ixpk= 835, nxpk= 15, iat= 342, 372, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   24 ALA  MB           24 ALA  HN          2.80    (#    836:15  Unique         2.27, 2.84 A)
 &rst
  ixpk= 836, nxpk= 15, iat=  -1, 372, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 376, 377, 378,
 &end
#
#   18 ALA  MB           24 ALA  HN          3.50    (#    837:15  Unique         2.89, 3.66 A)
 &rst
  ixpk= 837, nxpk= 15, iat=  -1, 372, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 276, 277, 278,
 &end
#
#    0 AMB  15-2:838    120 GLU  HN          4.50    (#    838:15  Single Ambig)
 &rst
  ixpk= 838, nxpk= 15, iat=  -1,1805, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1827,1782,
 &end
#
#  133 THR  HN          131 LEU  HN          5.50    (#    840:15  Unique         3.94, 4.02 A)
 &rst
  ixpk= 840, nxpk= 15, iat=2022,1984, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   23 GLU  HB+          24 ALA  HN          2.80    (#    842:15  Unique         2.56, 3.19 A)
 &rst
  ixpk= 842, nxpk= 15, iat=  -1, 372, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 361, 362,
 &end
#
#   19 LYS  HB+          24 ALA  HN          5.50    (#    843:15  Unique         4.98, 5.81 A)
 &rst
  ixpk= 843, nxpk= 15, iat=  -1, 372, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 286, 287,
 &end
#
#   88 VAL  MGX          24 ALA  HN          4.50    (#    844:15  Unique         3.79, 5.69 A)
 &rst
  ixpk= 844, nxpk= 15, iat=  -1, 372, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1349,1350,1351,1353,1354,1355,
 &end
#
#  143 ILE  HN          142 ASP  HN          3.50    (#    845:15  Unique         2.61, 2.70 A)
 &rst
  ixpk= 845, nxpk= 15, iat=2163,2151, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  141 ALA  MB          142 ASP  HN          2.80    (#    846:15  Unique         2.67, 3.59 A)
 &rst
  ixpk= 846, nxpk= 15, iat=  -1,2151, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=2145,2146,2147,
 &end
#
#    0 AMB  15-2:847      0 AMB  15-1:847    5.50    (#    847:15  Double Ambig)
 &rst
  ixpk= 847, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=2173,2174,2192,2193,
 igr2=2151,1984,
 &end
#
#    0 AMB  15-2:848    142 ASP  HN          5.50    (#    848:15  Single Ambig)
 &rst
  ixpk= 848, nxpk= 15, iat=  -1,2151, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 192, 193, 194,2188,2189,2190,
 &end
#
#  139 GLN  HN          142 ASP  HN          5.50    (#    849:15  Unique         4.56, 4.64 A)
 &rst
  ixpk= 849, nxpk= 15, iat=2105,2151, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  140 LEU  HB-         142 ASP  HN          5.50    (#    850:15  Unique         4.98, 5.39 A)
 &rst
  ixpk= 850, nxpk= 15, iat=  -1,2151, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2126,2127,
 &end
#
#  140 LEU  HN          142 ASP  HN          5.50    (#    851:15  Unique         3.86, 4.06 A)
 &rst
  ixpk= 851, nxpk= 15, iat=2122,2151, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  142 ASP  HA          142 ASP  HN          3.50    (#    852:15  Unique         2.83, 2.85 A)
 &rst
  ixpk= 852, nxpk= 15, iat=2153,2151, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  139 GLN  HA          142 ASP  HN          3.50    (#    853:15  Unique         3.08, 3.32 A)
 &rst
  ixpk= 853, nxpk= 15, iat=2107,2151, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  141 ALA  HA          142 ASP  HN          4.50    (#    854:15  Unique         3.57, 3.61 A)
 &rst
  ixpk= 854, nxpk= 15, iat=2143,2151, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  142 ASP  HB+         142 ASP  HN          2.80    (#    855:15  Unique         2.24, 2.54 A)
 &rst
  ixpk= 855, nxpk= 15, iat=  -1,2151, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=2155,2156,
 &end
#
#  142 ASP  HB-         142 ASP  HN          3.50    (#    856:15  Unique         2.24, 2.54 A)
 &rst
  ixpk= 856, nxpk= 15, iat=  -1,2151, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=2155,2156,
 &end
#
#    0 AMB  15-2:857     50 THR  HN          4.50    (#    857:15  Single Ambig)
 &rst
  ixpk= 857, nxpk= 15, iat=  -1, 785, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 803, 744, 745,
 &end
#
#  131 LEU  HG          130 GLN  HN          4.50    (#    858:15  Unique         4.26, 4.37 A)
 &rst
  ixpk= 858, nxpk= 15, iat=1991,1967, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  120 GLU  HG-         121 LEU  HN          5.50    (#    859:15  Unique         4.32, 4.79 A)
 &rst
  ixpk= 859, nxpk= 15, iat=  -1,1820, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1812,1813,
 &end
#
#   49 SER  HN           50 THR  HN          3.50    (#    861:15  Unique         2.59, 2.67 A)
 &rst
  ixpk= 861, nxpk= 15, iat= 774, 785, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   52 ASN  HD2+         50 THR  HN          5.50    (#    862:15  Unique         5.11, 6.15 A)
 &rst
  ixpk= 862, nxpk= 15, iat=  -1, 785, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 827, 828,
 &end
#
#   56 TYR  HN           50 THR  HN          5.50    (#    864:15  Unique         4.74, 5.39 A)
 &rst
  ixpk= 864, nxpk= 15, iat= 867, 785, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   49 SER  HB-          50 THR  HN          3.50    (#    867:15  Unique         2.55, 3.29 A)
 &rst
  ixpk= 867, nxpk= 15, iat=  -1, 785, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 778, 779,
 &end
#
#   47 LYS  HA           50 THR  HN          4.50    (#    868:15  Unique         2.75, 3.33 A)
 &rst
  ixpk= 868, nxpk= 15, iat= 742, 785, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   49 SER  HB+          50 THR  HN          3.50    (#    869:15  Unique         2.55, 3.29 A)
 &rst
  ixpk= 869, nxpk= 15, iat=  -1, 785, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 778, 779,
 &end
#
#   50 THR  HA           50 THR  HN          3.50    (#    870:15  Unique         2.77, 2.82 A)
 &rst
  ixpk= 870, nxpk= 15, iat= 787, 785, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   50 THR  MG2          50 THR  HN          4.50    (#    871:15  Unique         4.17, 4.50 A)
 &rst
  ixpk= 871, nxpk= 15, iat=  -1, 785, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 791, 792, 793,
 &end
#
#    0 AMB  15-2:872     29 MET  HN          4.50    (#    872:15  Single Ambig)
 &rst
  ixpk= 872, nxpk= 15, iat=  -1, 444, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 465, 386,
 &end
#
#  131 LEU  HN          130 GLN  HN          3.50    (#    873:15  Unique         2.46, 2.50 A)
 &rst
  ixpk= 873, nxpk= 15, iat=1984,1967, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  129 GLU  HN          130 GLN  HN          3.50    (#    874:15  Unique         2.58, 2.65 A)
 &rst
  ixpk= 874, nxpk= 15, iat=1952,1967, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:875    130 GLN  HN          2.80    (#    875:15  Single Ambig)
 &rst
  ixpk= 875, nxpk= 15, iat=  -1,1967, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1969,1916,
 &end
#
#  130 GLN  HG+         130 GLN  HN          2.80    (#    876:15  Unique         2.42, 3.20 A)
 &rst
  ixpk= 876, nxpk= 15, iat=  -1,1967, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1974,1975,
 &end
#
#    0 AMB  15-2:877    130 GLN  HN          5.50    (#    877:15  Single Ambig)
 &rst
  ixpk= 877, nxpk= 15, iat=  -1,1967, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1=1988,1989,2028,2029,2030,
 &end
#
#    0 AMB  15-2:878    130 GLN  HN          3.50    (#    878:15  Single Ambig)
 &rst
  ixpk= 878, nxpk= 15, iat=  -1,1967, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=2176,2177,2178,1920,1921,1922,2169,2170,2171,
 &end
#
#  118 LEU  HB-         121 LEU  HN          5.50    (#    880:15  Unique         4.36, 5.05 A)
 &rst
  ixpk= 880, nxpk= 15, iat=  -1,1820, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1779,1780,
 &end
#
#  122 LEU  HN          121 LEU  HN          2.80    (#    881:15  Unique         2.43, 2.52 A)
 &rst
  ixpk= 881, nxpk= 15, iat=1839,1820, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  120 GLU  HN          121 LEU  HN          3.50    (#    882:15  Unique         2.38, 2.44 A)
 &rst
  ixpk= 882, nxpk= 15, iat=1805,1820, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  121 LEU  HA          121 LEU  HN          3.50    (#    883:15  Unique         2.96, 2.98 A)
 &rst
  ixpk= 883, nxpk= 15, iat=1822,1820, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:884    121 LEU  HN          3.50    (#    884:15  Single Ambig)
 &rst
  ixpk= 884, nxpk= 15, iat=  -1,1820, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1777,1796,
 &end
#
#    0 AMB  15-2:885    121 LEU  HN          5.50    (#    885:15  Single Ambig)
 &rst
  ixpk= 885, nxpk= 15, iat=  -1,1820, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1841,2238,2239,
 &end
#
#  120 GLU  HB+         121 LEU  HN          3.50    (#    886:15  Unique         2.92, 3.60 A)
 &rst
  ixpk= 886, nxpk= 15, iat=  -1,1820, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1809,1810,
 &end
#
#  121 LEU  HB+         121 LEU  HN          2.80    (#    887:15  Unique         2.54, 3.18 A)
 &rst
  ixpk= 887, nxpk= 15, iat=  -1,1820, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1824,1825,
 &end
#
#  121 LEU  MDY         121 LEU  HN          4.50    (#    889:15  Unique         3.20, 4.60 A)
 &rst
  ixpk= 889, nxpk= 15, iat=  -1,1820, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1829,1830,1831,1833,1834,1835,
 &end
#
#    0 AMB  15-2:890    121 LEU  HN          4.50    (#    890:15  Single Ambig)
 &rst
  ixpk= 890, nxpk= 15, iat=  -1,1820, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1=1829,1830,1831,1833,1834,1835,1920,1921,1922,
 &end
#
#   30 VAL  HN           29 MET  HN          2.80    (#    891:15  Unique         2.07, 2.22 A)
 &rst
  ixpk= 891, nxpk= 15, iat= 461, 444, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   43 ILE  HG1-         29 MET  HN          5.50    (#    892:15  Unique         4.30, 5.93 A)
 &rst
  ixpk= 892, nxpk= 15, iat=  -1, 444, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 685, 686,
 &end
#
#  130 GLN  HE2+        130 GLN  HN          5.50    (#    893:15  Unique         3.36, 4.32 A)
 &rst
  ixpk= 893, nxpk= 15, iat=  -1,1967, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1979,1980,
 &end
#
#   28 SER  HN           27 PHE  HN          3.50    (#    895:15  Unique         2.62, 2.78 A)
 &rst
  ixpk= 895, nxpk= 15, iat= 433, 413, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   26 ASP  HN           27 PHE  HN          3.50    (#    896:15  Unique         2.77, 2.84 A)
 &rst
  ixpk= 896, nxpk= 15, iat= 401, 413, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:897     27 PHE  HN          5.50    (#    897:15  Single Ambig)
 &rst
  ixpk= 897, nxpk= 15, iat=  -1, 413, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 444, 372,
 &end
#
#   27 PHE  HA           27 PHE  HN          3.50    (#    899:15  Unique         2.82, 2.84 A)
 &rst
  ixpk= 899, nxpk= 15, iat= 415, 413, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   24 ALA  HA           27 PHE  HN          3.50    (#    900:15  Unique         3.27, 3.48 A)
 &rst
  ixpk= 900, nxpk= 15, iat= 374, 413, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   27 PHE  HB+          27 PHE  HN          2.80    (#    901:15  Unique         2.22, 2.89 A)
 &rst
  ixpk= 901, nxpk= 15, iat=  -1, 413, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 417, 418,
 &end
#
#   26 ASP  HB-          27 PHE  HN          3.50    (#    902:15  Unique         2.38, 3.22 A)
 &rst
  ixpk= 902, nxpk= 15, iat=  -1, 413, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 405, 406,
 &end
#
#   26 ASP  HB+          27 PHE  HN          3.50    (#    903:15  Unique         2.38, 3.22 A)
 &rst
  ixpk= 903, nxpk= 15, iat=  -1, 413, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 405, 406,
 &end
#
#    0 AMB  15-2:904     27 PHE  HN          5.50    (#    904:15  Single Ambig)
 &rst
  ixpk= 904, nxpk= 15, iat=  -1, 413, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 364, 365, 361, 362,
 &end
#
#    0 AMB  15-2:905     27 PHE  HN          5.50    (#    905:15  Single Ambig)
 &rst
  ixpk= 905, nxpk= 15, iat=  -1, 413, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 467, 468, 469, 471, 472, 473, 467, 468, 469, 471,
       472, 473,
 &end
#
#   28 SER  HN           29 MET  HN          3.50    (#    906:15  Unique         2.39, 2.58 A)
 &rst
  ixpk= 906, nxpk= 15, iat= 433, 444, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   29 MET  HA           29 MET  HN          3.50    (#    907:15  Unique         2.98, 2.99 A)
 &rst
  ixpk= 907, nxpk= 15, iat= 446, 444, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:909     29 MET  HN          4.50    (#    909:15  Single Ambig)
 &rst
  ixpk= 909, nxpk= 15, iat=  -1, 444, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 435, 415,
 &end
#
#   26 ASP  HA           29 MET  HN          5.50    (#    910:15  Unique         3.36, 3.47 A)
 &rst
  ixpk= 910, nxpk= 15, iat= 403, 444, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:911     29 MET  HN          3.50    (#    911:15  Single Ambig)
 &rst
  ixpk= 911, nxpk= 15, iat=  -1, 444, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 437, 438, 463,
 &end
#
#   29 MET  HG+          29 MET  HN          4.50    (#    912:15  Unique         2.67, 3.35 A)
 &rst
  ixpk= 912, nxpk= 15, iat=  -1, 444, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 451, 452,
 &end
#
#   29 MET  HG-          29 MET  HN          3.50    (#    913:15  Unique         2.67, 3.35 A)
 &rst
  ixpk= 913, nxpk= 15, iat=  -1, 444, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 451, 452,
 &end
#
#   29 MET  HB-          29 MET  HN          2.80    (#    914:15  Unique         2.40, 3.15 A)
 &rst
  ixpk= 914, nxpk= 15, iat=  -1, 444, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 448, 449,
 &end
#
#    0 AMB  15-2:915     29 MET  HN          4.50    (#    915:15  Single Ambig)
 &rst
  ixpk= 915, nxpk= 15, iat=  -1, 444, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 467, 468, 469, 471, 472, 473, 467, 468, 469, 471,
       472, 473,
 &end
#
#    0 AMB  15-2:916     29 MET  HN          4.50    (#    916:15  Single Ambig)
 &rst
  ixpk= 916, nxpk= 15, iat=  -1, 444, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 688, 689, 690, 608, 609, 610,
 &end
#
#   26 ASP  HA           27 PHE  HN          4.50    (#    919:15  Unique         3.59, 3.60 A)
 &rst
  ixpk= 919, nxpk= 15, iat= 403, 413, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:920     27 PHE  HN          5.50    (#    920:15  Single Ambig)
 &rst
  ixpk= 920, nxpk= 15, iat=  -1, 413, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1= 376, 377, 378, 286, 287,
 &end
#
#    0 AMB  15-2:921     27 PHE  HN          5.50    (#    921:15  Single Ambig)
 &rst
  ixpk= 921, nxpk= 15, iat=  -1, 413, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1258,1259,1260,1292,
 &end
#
#   45 ALA  HN           46 ILE  HN          3.50    (#    922:15  Unique         2.69, 2.76 A)
 &rst
  ixpk= 922, nxpk= 15, iat= 711, 721, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   47 LYS  HN           46 ILE  HN          3.50    (#    923:15  Unique         2.39, 2.57 A)
 &rst
  ixpk= 923, nxpk= 15, iat= 740, 721, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   45 ALA  HA           46 ILE  HN          4.50    (#    924:15  Unique         3.54, 3.59 A)
 &rst
  ixpk= 924, nxpk= 15, iat= 713, 721, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   43 ILE  HA           46 ILE  HN          4.50    (#    926:15  Unique         3.39, 3.49 A)
 &rst
  ixpk= 926, nxpk= 15, iat= 677, 721, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   46 ILE  HB           46 ILE  HN          2.80    (#    927:15  Unique         2.13, 2.47 A)
 &rst
  ixpk= 927, nxpk= 15, iat= 725, 721, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   46 ILE  HG1-         46 ILE  HN          2.80    (#    928:15  Unique         2.01, 2.78 A)
 &rst
  ixpk= 928, nxpk= 15, iat=  -1, 721, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 731, 732,
 &end
#
#   45 ALA  MB           46 ILE  HN          3.50    (#    929:15  Unique         2.52, 3.55 A)
 &rst
  ixpk= 929, nxpk= 15, iat=  -1, 721, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 715, 716, 717,
 &end
#
#   68 ALA  MB           46 ILE  HN          4.50    (#    930:15  Unique         3.64, 4.57 A)
 &rst
  ixpk= 930, nxpk= 15, iat=  -1, 721, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1056,1057,1058,
 &end
#
#   46 ILE  QG2          46 ILE  HN          4.50    (#    931:15  Unique         4.04, 4.51 A)
 &rst
  ixpk= 931, nxpk= 15, iat=  -1, 721, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 727, 728, 729,
 &end
#
#   46 ILE  QD1          46 ILE  HN          4.50    (#    932:15  Unique         3.67, 4.37 A)
 &rst
  ixpk= 932, nxpk= 15, iat=  -1, 721, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 734, 735, 736,
 &end
#
#   46 ILE  HG1+         46 ILE  HN          3.50    (#    933:15  Unique         2.01, 2.78 A)
 &rst
  ixpk= 933, nxpk= 15, iat=  -1, 721, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 731, 732,
 &end
#
#   94 ASP  HN           93 ASN  HN          5.50    (#    934:15  Unique         2.75, 4.51 A)
 &rst
  ixpk= 934, nxpk= 15, iat=1435,1421, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   21 TRP  HD1          21 TRP  HN          4.50    (#    935:15  Unique         2.18, 2.37 A)
 &rst
  ixpk= 935, nxpk= 15, iat= 324, 316, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   20 ASP  HN           21 TRP  HN          5.50    (#    936:15  Unique         4.25, 4.29 A)
 &rst
  ixpk= 936, nxpk= 15, iat= 304, 316, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   22 GLN  HN           21 TRP  HN          4.50    (#    938:15  Unique         2.38, 2.70 A)
 &rst
  ixpk= 938, nxpk= 15, iat= 340, 316, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   20 ASP  HA           21 TRP  HN          2.80    (#    939:15  Unique         2.51, 2.65 A)
 &rst
  ixpk= 939, nxpk= 15, iat= 306, 316, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   21 TRP  HA           21 TRP  HN          3.50    (#    940:15  Unique         2.72, 2.85 A)
 &rst
  ixpk= 940, nxpk= 15, iat= 318, 316, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   20 ASP  HB-          21 TRP  HN          3.50    (#    941:15  Unique         2.21, 3.28 A)
 &rst
  ixpk= 941, nxpk= 15, iat=  -1, 316, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 308, 309,
 &end
#
#   20 ASP  HB+          21 TRP  HN          2.80    (#    942:15  Unique         2.21, 3.28 A)
 &rst
  ixpk= 942, nxpk= 15, iat=  -1, 316, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 308, 309,
 &end
#
#   21 TRP  HB+          21 TRP  HN          3.50    (#    943:15  Unique         2.64, 3.21 A)
 &rst
  ixpk= 943, nxpk= 15, iat=  -1, 316, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 320, 321,
 &end
#
#   88 VAL  MGY          21 TRP  HN          3.50    (#    944:15  Unique         3.00, 5.12 A)
 &rst
  ixpk= 944, nxpk= 15, iat=  -1, 316, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1349,1350,1351,1353,1354,1355,
 &end
#
#   93 ASN  HD2+         93 ASN  HN          4.50    (#    945:15  Unique         4.22, 5.17 A)
 &rst
  ixpk= 945, nxpk= 15, iat=  -1,1421, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1430,1431,
 &end
#
#   92 GLY  HN           93 ASN  HN          3.50    (#    947:15  Unique         1.68, 2.60 A)
 &rst
  ixpk= 947, nxpk= 15, iat=1414,1421, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   93 ASN  HA           93 ASN  HN          3.50    (#    948:15  Unique         2.86, 2.94 A)
 &rst
  ixpk= 948, nxpk= 15, iat=1423,1421, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   91 PRO  HA           93 ASN  HN          4.50    (#    949:15  Unique         3.38, 4.13 A)
 &rst
  ixpk= 949, nxpk= 15, iat=1410,1421, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   92 GLY  HA-          93 ASN  HN          3.50    (#    950:15  Unique         2.75, 3.34 A)
 &rst
  ixpk= 950, nxpk= 15, iat=  -1,1421, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1416,1417,
 &end
#
#   92 GLY  HA+          93 ASN  HN          5.50    (#    951:15  Unique         2.75, 3.34 A)
 &rst
  ixpk= 951, nxpk= 15, iat=  -1,1421, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1416,1417,
 &end
#
#   93 ASN  HB-          93 ASN  HN          3.50    (#    952:15  Unique         2.38, 2.73 A)
 &rst
  ixpk= 952, nxpk= 15, iat=  -1,1421, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1425,1426,
 &end
#
#   93 ASN  HB+          93 ASN  HN          3.50    (#    953:15  Unique         2.38, 2.73 A)
 &rst
  ixpk= 953, nxpk= 15, iat=  -1,1421, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1425,1426,
 &end
#
#   97 ILE  HN           88 VAL  HN          3.50    (#    954:15  Unique         2.70, 3.48 A)
 &rst
  ixpk= 954, nxpk= 15, iat=1476,1343, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   87 GLY  HA+          88 VAL  HN          5.50    (#    955:15  Unique         2.04, 2.58 A)
 &rst
  ixpk= 955, nxpk= 15, iat=  -1,1343, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1338,1339,
 &end
#
#   96 PRO  HA           88 VAL  HN          5.50    (#    956:15  Unique         3.74, 4.91 A)
 &rst
  ixpk= 956, nxpk= 15, iat=1472,1343, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   88 VAL  HB           88 VAL  HN          3.50    (#    957:15  Unique         2.53, 3.15 A)
 &rst
  ixpk= 957, nxpk= 15, iat=1347,1343, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   84 LEU  HB+          88 VAL  HN          5.50    (#    958:15  Unique         2.68, 3.76 A)
 &rst
  ixpk= 958, nxpk= 15, iat=  -1,1343, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1289,1290,
 &end
#
#   87 GLY  HA-          88 VAL  HN          2.80    (#    960:15  Unique         2.04, 2.58 A)
 &rst
  ixpk= 960, nxpk= 15, iat=  -1,1343, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1338,1339,
 &end
#
#   97 ILE  HB           88 VAL  HN          4.50    (#    961:15  Unique         3.47, 4.01 A)
 &rst
  ixpk= 961, nxpk= 15, iat=1480,1343, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:962     88 VAL  HN          4.50    (#    962:15  Single Ambig)
 &rst
  ixpk= 962, nxpk= 15, iat=  -1,1343, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
 igr1= 376, 377, 378,1486,1487,1466,1467,
 &end
#
#   18 ALA  MB           88 VAL  HN          5.50    (#    963:15  Unique         4.25, 5.82 A)
 &rst
  ixpk= 963, nxpk= 15, iat=  -1,1343, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 276, 277, 278,
 &end
#
#   96 PRO  HB-          88 VAL  HN          4.50    (#    964:15  Unique         3.25, 4.84 A)
 &rst
  ixpk= 964, nxpk= 15, iat=  -1,1343, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1469,1470,
 &end
#
#   88 VAL  MGX          88 VAL  HN          2.80    (#    965:15  Unique         2.63, 4.25 A)
 &rst
  ixpk= 965, nxpk= 15, iat=  -1,1343, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1349,1350,1351,1353,1354,1355,
 &end
#
#   23 GLU  HN           21 TRP  HN          5.50    (#    966:15  Unique         3.86, 4.23 A)
 &rst
  ixpk= 966, nxpk= 15, iat= 357, 316, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:967     21 TRP  HN          4.50    (#    967:15  Single Ambig)
 &rst
  ixpk= 967, nxpk= 15, iat=  -1, 316, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1= 376, 377, 378, 286, 287,
 &end
#
#   21 TRP  HB-          21 TRP  HN          3.50    (#    968:15  Unique         2.64, 3.21 A)
 &rst
  ixpk= 968, nxpk= 15, iat=  -1, 316, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 320, 321,
 &end
#
#   45 ALA  MB           44 GLN  HN          5.50    (#    969:15  Unique         5.01, 5.54 A)
 &rst
  ixpk= 969, nxpk= 15, iat=  -1, 694, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 715, 716, 717,
 &end
#
#   45 ALA  HN           44 GLN  HN          3.50    (#    970:15  Unique         2.69, 2.75 A)
 &rst
  ixpk= 970, nxpk= 15, iat= 711, 694, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:971     44 GLN  HN          4.50    (#    971:15  Single Ambig)
 &rst
  ixpk= 971, nxpk= 15, iat=  -1, 694, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 677, 658, 659,
 &end
#
#    0 AMB  15-2:972     44 GLN  HN          5.50    (#    972:15  Single Ambig)
 &rst
  ixpk= 972, nxpk= 15, iat=  -1, 694, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 688, 689, 690, 608, 609, 610,
 &end
#
#  110 SER  HN          109 ASP  HN          3.50    (#    973:15  Unique         2.39, 2.43 A)
 &rst
  ixpk= 973, nxpk= 15, iat=1665,1653, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  108 ALA  HN          109 ASP  HN          4.50    (#    974:15  Unique         2.84, 2.86 A)
 &rst
  ixpk= 974, nxpk= 15, iat=1643,1653, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  111 HIS  HN          109 ASP  HN          5.50    (#    976:15  Unique         3.84, 3.89 A)
 &rst
  ixpk= 976, nxpk= 15, iat=1676,1653, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  109 ASP  HA          109 ASP  HN          3.50    (#    978:15  Unique         2.92, 2.94 A)
 &rst
  ixpk= 978, nxpk= 15, iat=1655,1653, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  110 SER  HA          109 ASP  HN          5.50    (#    979:15  Unique         5.10, 5.14 A)
 &rst
  ixpk= 979, nxpk= 15, iat=1667,1653, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  108 ALA  HA          109 ASP  HN          4.50    (#    980:15  Unique         3.57, 3.58 A)
 &rst
  ixpk= 980, nxpk= 15, iat=1645,1653, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  110 SER  HB+         109 ASP  HN          5.50    (#    981:15  Unique         4.57, 5.36 A)
 &rst
  ixpk= 981, nxpk= 15, iat=  -1,1653, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1669,1670,
 &end
#
#  107 ASP  HB+         109 ASP  HN          4.50    (#    982:15  Unique         3.46, 4.09 A)
 &rst
  ixpk= 982, nxpk= 15, iat=  -1,1653, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1635,1636,
 &end
#
#  107 ASP  HB-         109 ASP  HN          4.50    (#    983:15  Unique         3.46, 4.09 A)
 &rst
  ixpk= 983, nxpk= 15, iat=  -1,1653, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1635,1636,
 &end
#
#  109 ASP  HB+         109 ASP  HN          2.80    (#    984:15  Unique         2.41, 2.59 A)
 &rst
  ixpk= 984, nxpk= 15, iat=  -1,1653, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1657,1658,
 &end
#
#  108 ALA  MB          109 ASP  HN          3.50    (#    985:15  Unique         2.88, 3.67 A)
 &rst
  ixpk= 985, nxpk= 15, iat=  -1,1653, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1647,1648,1649,
 &end
#
#    0 AMB  15-2:986    109 ASP  HN          5.50    (#    986:15  Single Ambig)
 &rst
  ixpk= 986, nxpk= 15, iat=  -1,1653, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1699,1700,1701,1706,1707,1708,
 &end
#
#  119 SER  HN          118 LEU  HN          3.50    (#    987:15  Unique         2.51, 2.64 A)
 &rst
  ixpk= 987, nxpk= 15, iat=1794,1775, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  117 ALA  HN          118 LEU  HN          3.50    (#    988:15  Unique         2.03, 2.16 A)
 &rst
  ixpk= 988, nxpk= 15, iat=1765,1775, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  120 GLU  HN          118 LEU  HN          5.50    (#    989:15  Unique         4.12, 4.24 A)
 &rst
  ixpk= 989, nxpk= 15, iat=1805,1775, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  118 LEU  HA          118 LEU  HN          2.80    (#    990:15  Unique         2.84, 2.85 A)
 &rst
  ixpk= 990, nxpk= 15, iat=1777,1775, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  115 ILE  HA          118 LEU  HN          4.50    (#    991:15  Unique         3.27, 3.37 A)
 &rst
  ixpk= 991, nxpk= 15, iat=1731,1775, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:992    118 LEU  HN          5.50    (#    992:15  Single Ambig)
 &rst
  ixpk= 992, nxpk= 15, iat=  -1,1775, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1=1733,   8,   9,  49,  50,
 &end
#
#  118 LEU  HB+         118 LEU  HN          2.80    (#    993:15  Unique         2.37, 3.08 A)
 &rst
  ixpk= 993, nxpk= 15, iat=  -1,1775, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1779,1780,
 &end
#
#    0 AMB  15-2:994    118 LEU  HN          2.80    (#    994:15  Single Ambig)
 &rst
  ixpk= 994, nxpk= 15, iat=  -1,1775, r1= 0.00, r2= 1.80, r3= 3.66, r4= 4.41,
 igr1=1779,1780,1769,1770,1771,
 &end
#
#  103 LEU  HG          118 LEU  HN          5.50    (#    995:15  Unique         5.52, 5.60 A)
 &rst
  ixpk= 995, nxpk= 15, iat=1588,1775, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  118 LEU  MDX         118 LEU  HN          5.50    (#    997:15  Unique         3.20, 4.26 A)
 &rst
  ixpk= 997, nxpk= 15, iat=  -1,1775, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1784,1785,1786,1788,1789,1790,
 &end
#
#    0 AMB  15-2:998     44 GLN  HN          5.50    (#    998:15  Single Ambig)
 &rst
  ixpk= 998, nxpk= 15, iat=  -1, 694, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 654, 740, 649, 650,
 &end
#
#   43 ILE  HN           44 GLN  HN          3.50    (#    999:15  Unique         2.72, 2.77 A)
 &rst
  ixpk= 999, nxpk= 15, iat= 675, 694, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   41 ASN  HA           44 GLN  HN          4.50    (#   1000:15  Unique         2.95, 3.21 A)
 &rst
  ixpk= 1000, nxpk= 15, iat= 642, 694, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   44 GLN  HA           44 GLN  HN          3.50    (#   1001:15  Unique         2.84, 2.85 A)
 &rst
  ixpk= 1001, nxpk= 15, iat= 696, 694, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   44 GLN  HG-          44 GLN  HN          4.50    (#   1002:15  Unique         3.06, 4.45 A)
 &rst
  ixpk= 1002, nxpk= 15, iat=  -1, 694, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 701, 702,
 &end
#
#    0 AMB  15-2:1003    44 GLN  HN          4.50    (#   1003:15  Single Ambig)
 &rst
  ixpk= 1003, nxpk= 15, iat=  -1, 694, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 701, 702, 753, 754,
 &end
#
#   44 GLN  HB-          44 GLN  HN          2.80    (#   1004:15  Unique         2.15, 2.64 A)
 &rst
  ixpk= 1004, nxpk= 15, iat=  -1, 694, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 698, 699,
 &end
#
#   43 ILE  HB           44 GLN  HN          2.80    (#   1005:15  Unique         2.58, 2.67 A)
 &rst
  ixpk= 1005, nxpk= 15, iat= 679, 694, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   43 ILE  QG2          44 GLN  HN          4.50    (#   1006:15  Unique         3.02, 4.44 A)
 &rst
  ixpk= 1006, nxpk= 15, iat=  -1, 694, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 681, 682, 683,
 &end
#
#    0 AMB  15-2:1007   118 LEU  HN          4.50    (#   1007:15  Single Ambig)
 &rst
  ixpk= 1007, nxpk= 15, iat=  -1,1775, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1723,1724,1725,1739,1740,  52,
 &end
#
#  108 ALA  HA          110 SER  HN          5.50    (#   1008:15  Unique         4.28, 4.36 A)
 &rst
  ixpk= 1008, nxpk= 15, iat=1645,1665, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:1009   110 SER  HN          5.50    (#   1009:15  Single Ambig)
 &rst
  ixpk= 1009, nxpk= 15, iat=  -1,1665, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1678,1714,1715,
 &end
#
#  109 ASP  HN          110 SER  HN          2.80    (#   1010:15  Unique         2.39, 2.43 A)
 &rst
  ixpk= 1010, nxpk= 15, iat=1653,1665, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  111 HIS  HN          110 SER  HN          3.50    (#   1011:15  Unique         2.54, 2.61 A)
 &rst
  ixpk= 1011, nxpk= 15, iat=1676,1665, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  107 ASP  HN          110 SER  HN          5.50    (#   1012:15  Unique         3.71, 3.81 A)
 &rst
  ixpk= 1012, nxpk= 15, iat=1631,1665, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  109 ASP  HA          110 SER  HN          3.50    (#   1014:15  Unique         3.53, 3.55 A)
 &rst
  ixpk= 1014, nxpk= 15, iat=1655,1665, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  110 SER  HA          110 SER  HN          3.50    (#   1015:15  Unique         2.87, 2.88 A)
 &rst
  ixpk= 1015, nxpk= 15, iat=1667,1665, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  110 SER  HB+         110 SER  HN          2.80    (#   1017:15  Unique         2.46, 3.10 A)
 &rst
  ixpk= 1017, nxpk= 15, iat=  -1,1665, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1669,1670,
 &end
#
#  111 HIS  HB-         110 SER  HN          5.50    (#   1018:15  Unique         4.26, 4.94 A)
 &rst
  ixpk= 1018, nxpk= 15, iat=  -1,1665, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1680,1681,
 &end
#
#  109 ASP  HB+         110 SER  HN          3.50    (#   1019:15  Unique         2.87, 3.50 A)
 &rst
  ixpk= 1019, nxpk= 15, iat=  -1,1665, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1657,1658,
 &end
#
#  108 ALA  MB          110 SER  HN          5.50    (#   1020:15  Unique         5.06, 5.57 A)
 &rst
  ixpk= 1020, nxpk= 15, iat=  -1,1665, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1647,1648,1649,
 &end
#
#  105 ALA  MB          110 SER  HN          5.50    (#   1021:15  Unique         4.01, 5.07 A)
 &rst
  ixpk= 1021, nxpk= 15, iat=  -1,1665, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1615,1616,1617,
 &end
#
#   38 ILE  HA           76 LYS  HN          5.50    (#   1022:15  Unique         4.07, 4.19 A)
 &rst
  ixpk= 1022, nxpk= 15, iat= 597,1162, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   75 LEU  HN           76 LYS  HN          2.80    (#   1023:15  Unique         1.85, 1.88 A)
 &rst
  ixpk= 1023, nxpk= 15, iat=1143,1162, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   37 TYR  HA           76 LYS  HN          2.80    (#   1024:15  Unique         2.83, 2.87 A)
 &rst
  ixpk= 1024, nxpk= 15, iat= 576,1162, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   75 LEU  HB+          76 LYS  HN          3.50    (#   1025:15  Unique         2.75, 3.35 A)
 &rst
  ixpk= 1025, nxpk= 15, iat=  -1,1162, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1147,1148,
 &end
#
#    0 AMB  15-2:1026    76 LYS  HN          3.50    (#   1026:15  Single Ambig)
 &rst
  ixpk= 1026, nxpk= 15, iat=  -1,1162, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1166,1167,1147,1148,
 &end
#
#    0 AMB  15-2:1027    76 LYS  HN          3.50    (#   1027:15  Single Ambig)
 &rst
  ixpk= 1027, nxpk= 15, iat=  -1,1162, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1166,1167,1169,1170,
 &end
#
#    0 AMB  15-2:1029    69 ARG  HN          2.80    (#   1029:15  Single Ambig)
 &rst
  ixpk= 1029, nxpk= 15, iat=  -1,1062, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1054,1064,
 &end
#
#   69 ARG  HD-          69 ARG  HN          5.50    (#   1030:15  Unique         2.88, 4.47 A)
 &rst
  ixpk= 1030, nxpk= 15, iat=  -1,1062, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1072,1073,
 &end
#
#   69 ARG  HB+          69 ARG  HN          2.80    (#   1031:15  Unique         2.20, 2.97 A)
 &rst
  ixpk= 1031, nxpk= 15, iat=  -1,1062, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1066,1067,
 &end
#
#   68 ALA  MB           69 ARG  HN          2.80    (#   1032:15  Unique         2.26, 3.34 A)
 &rst
  ixpk= 1032, nxpk= 15, iat=  -1,1062, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1056,1057,1058,
 &end
#
#   40 GLU  HN           41 ASN  HN          4.50    (#   1033:15  Unique         2.65, 2.82 A)
 &rst
  ixpk= 1033, nxpk= 15, iat= 625, 640, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   39 SER  HB+          41 ASN  HN          4.50    (#   1035:15  Unique         2.34, 3.22 A)
 &rst
  ixpk= 1035, nxpk= 15, iat=  -1, 640, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 618, 619,
 &end
#
#   41 ASN  HB+          41 ASN  HN          3.50    (#   1036:15  Unique         2.24, 2.70 A)
 &rst
  ixpk= 1036, nxpk= 15, iat=  -1, 640, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 644, 645,
 &end
#
#    0 AMB  15-2:1037     0 AMB  15-1:1037   2.80    (#   1037:15  Double Ambig)
 &rst
  ixpk= 1037, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 618, 619,1164,
 igr2= 640,1162,
 &end
#
#   41 ASN  HB-          41 ASN  HN          3.50    (#   1038:15  Unique         2.24, 2.70 A)
 &rst
  ixpk= 1038, nxpk= 15, iat=  -1, 640, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 644, 645,
 &end
#
#  108 ALA  HA          112 ILE  HN          5.50    (#   1041:15  Unique         4.02, 4.12 A)
 &rst
  ixpk= 1041, nxpk= 15, iat=1645,1693, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  111 HIS  HB-         112 ILE  HN          3.50    (#   1042:15  Unique         2.58, 3.44 A)
 &rst
  ixpk= 1042, nxpk= 15, iat=  -1,1693, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1680,1681,
 &end
#
#  112 ILE  HG1+        112 ILE  HN          3.50    (#   1043:15  Unique         2.25, 2.94 A)
 &rst
  ixpk= 1043, nxpk= 15, iat=  -1,1693, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1703,1704,
 &end
#
#    0 AMB  15-2:1044    41 ASN  HN          4.50    (#   1044:15  Single Ambig)
 &rst
  ixpk= 1044, nxpk= 15, iat=  -1, 640, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 654, 649, 650,
 &end
#
#   40 GLU  HB+          41 ASN  HN          4.50    (#   1045:15  Unique         2.75, 3.43 A)
 &rst
  ixpk= 1045, nxpk= 15, iat=  -1, 640, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 629, 630,
 &end
#
#    0 AMB  15-2:1046   112 ILE  HN          3.50    (#   1046:15  Single Ambig)
 &rst
  ixpk= 1046, nxpk= 15, iat=  -1,1693, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1676,1712,
 &end
#
#  109 ASP  HA          112 ILE  HN          3.50    (#   1047:15  Unique         2.87, 2.97 A)
 &rst
  ixpk= 1047, nxpk= 15, iat=1655,1693, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:1048   112 ILE  HN          3.50    (#   1048:15  Single Ambig)
 &rst
  ixpk= 1048, nxpk= 15, iat=  -1,1693, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1678,1714,1715,
 &end
#
#  112 ILE  HA          112 ILE  HN          3.50    (#   1049:15  Unique         2.80, 2.82 A)
 &rst
  ixpk= 1049, nxpk= 15, iat=1695,1693, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  111 HIS  HB+         112 ILE  HN          3.50    (#   1050:15  Unique         2.58, 3.44 A)
 &rst
  ixpk= 1050, nxpk= 15, iat=  -1,1693, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1680,1681,
 &end
#
#  112 ILE  HB          112 ILE  HN          2.80    (#   1051:15  Unique         2.18, 2.34 A)
 &rst
  ixpk= 1051, nxpk= 15, iat=1697,1693, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  112 ILE  HG1-        112 ILE  HN          2.80    (#   1052:15  Unique         2.25, 2.94 A)
 &rst
  ixpk= 1052, nxpk= 15, iat=  -1,1693, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1703,1704,
 &end
#
#    0 AMB  15-2:1053   112 ILE  HN          3.50    (#   1053:15  Single Ambig)
 &rst
  ixpk= 1053, nxpk= 15, iat=  -1,1693, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1706,1707,1708,1699,1700,1701,
 &end
#
#    0 AMB  15-2:1054   139 GLN  HN          5.50    (#   1054:15  Single Ambig)
 &rst
  ixpk= 1054, nxpk= 15, iat=  -1,2105, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2070,2124,2050,2051,
 &end
#
#  139 GLN  HB+         139 GLN  HN          3.50    (#   1055:15  Unique         2.14, 2.89 A)
 &rst
  ixpk= 1055, nxpk= 15, iat=  -1,2105, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=2109,2110,
 &end
#
#    0 AMB  15-2:1056   139 GLN  HN          3.50    (#   1056:15  Single Ambig)
 &rst
  ixpk= 1056, nxpk= 15, iat=  -1,2105, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=2087,2088,2093,2094,
 &end
#
#  140 LEU  HG          139 GLN  HN          5.50    (#   1057:15  Unique         4.44, 4.89 A)
 &rst
  ixpk= 1057, nxpk= 15, iat=2129,2105, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:1058   139 GLN  HN          4.50    (#   1058:15  Single Ambig)
 &rst
  ixpk= 1058, nxpk= 15, iat=  -1,2105, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1=2040,2041,2042,2090,2091,
 &end
#
#    0 AMB  15-2:1060   139 GLN  HN          5.50    (#   1060:15  Single Ambig)
 &rst
  ixpk= 1060, nxpk= 15, iat=  -1,2105, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2141,2151,
 &end
#
#  138 LYS  HN          139 GLN  HN          3.50    (#   1061:15  Unique         2.80, 2.92 A)
 &rst
  ixpk= 1061, nxpk= 15, iat=2083,2105, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  140 LEU  HN          139 GLN  HN          3.50    (#   1062:15  Unique         2.66, 2.79 A)
 &rst
  ixpk= 1062, nxpk= 15, iat=2122,2105, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  136 SER  HB+         139 GLN  HN          5.50    (#   1064:15  Unique         2.89, 3.80 A)
 &rst
  ixpk= 1064, nxpk= 15, iat=  -1,2105, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2061,2062,
 &end
#
#  139 GLN  HA          139 GLN  HN          3.50    (#   1065:15  Unique         2.80, 2.85 A)
 &rst
  ixpk= 1065, nxpk= 15, iat=2107,2105, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  139 GLN  HG+         139 GLN  HN          3.50    (#   1066:15  Unique         2.87, 3.49 A)
 &rst
  ixpk= 1066, nxpk= 15, iat=  -1,2105, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=2112,2113,
 &end
#
#  139 GLN  HB-         139 GLN  HN          2.80    (#   1067:15  Unique         2.14, 2.89 A)
 &rst
  ixpk= 1067, nxpk= 15, iat=  -1,2105, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=2109,2110,
 &end
#
#  138 LYS  HB-         139 GLN  HN          3.50    (#   1068:15  Unique         2.60, 3.39 A)
 &rst
  ixpk= 1068, nxpk= 15, iat=  -1,2105, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=2087,2088,
 &end
#
#  128 LEU  HN          126 GLU  HN          5.50    (#   1069:15  Unique         3.88, 3.94 A)
 &rst
  ixpk= 1069, nxpk= 15, iat=1933,1899, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  127 ILE  HA          126 GLU  HN          5.50    (#   1070:15  Unique         5.26, 5.30 A)
 &rst
  ixpk= 1070, nxpk= 15, iat=1916,1899, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  127 ILE  QD1         126 GLU  HN          5.50    (#   1071:15  Unique         4.10, 4.93 A)
 &rst
  ixpk= 1071, nxpk= 15, iat=  -1,1899, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1927,1928,1929,
 &end
#
#    0 AMB  15-2:1072    25 ILE  HN          5.50    (#   1072:15  Single Ambig)
 &rst
  ixpk= 1072, nxpk= 15, iat=  -1, 382, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 344, 345, 750, 751,
 &end
#
#   85 GLU  HA           86 GLN  HN          3.50    (#   1073:15  Unique         3.43, 3.49 A)
 &rst
  ixpk= 1073, nxpk= 15, iat=1306,1319, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  141 ALA  HN          140 LEU  HN          3.50    (#   1074:15  Unique         2.50, 2.68 A)
 &rst
  ixpk= 1074, nxpk= 15, iat=2141,2122, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  138 LYS  HN          140 LEU  HN          5.50    (#   1075:15  Unique         4.31, 4.41 A)
 &rst
  ixpk= 1075, nxpk= 15, iat=2083,2122, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  139 GLN  HN          140 LEU  HN          3.50    (#   1076:15  Unique         2.66, 2.79 A)
 &rst
  ixpk= 1076, nxpk= 15, iat=2105,2122, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  139 GLN  HA          140 LEU  HN          4.50    (#   1077:15  Unique         3.58, 3.62 A)
 &rst
  ixpk= 1077, nxpk= 15, iat=2107,2122, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:1078   140 LEU  HN          3.50    (#   1078:15  Single Ambig)
 &rst
  ixpk= 1078, nxpk= 15, iat=  -1,2122, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=2124,2070,
 &end
#
#  139 GLN  HB-         140 LEU  HN          3.50    (#   1079:15  Unique         2.57, 3.13 A)
 &rst
  ixpk= 1079, nxpk= 15, iat=  -1,2122, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=2109,2110,
 &end
#
#  139 GLN  HB+         140 LEU  HN          3.50    (#   1080:15  Unique         2.57, 3.13 A)
 &rst
  ixpk= 1080, nxpk= 15, iat=  -1,2122, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=2109,2110,
 &end
#
#  140 LEU  HB+         140 LEU  HN          2.80    (#   1081:15  Unique         2.29, 3.02 A)
 &rst
  ixpk= 1081, nxpk= 15, iat=  -1,2122, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=2126,2127,
 &end
#
#  140 LEU  HG          140 LEU  HN          2.80    (#   1082:15  Unique         2.27, 2.58 A)
 &rst
  ixpk= 1082, nxpk= 15, iat=2129,2122, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  134 ALA  MB          140 LEU  HN          3.50    (#   1083:15  Unique         2.97, 4.14 A)
 &rst
  ixpk= 1083, nxpk= 15, iat=  -1,2122, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=2040,2041,2042,
 &end
#
#  140 LEU  HB-         140 LEU  HN          3.50    (#   1084:15  Unique         2.29, 3.02 A)
 &rst
  ixpk= 1084, nxpk= 15, iat=  -1,2122, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=2126,2127,
 &end
#
#  140 LEU  MDX         140 LEU  HN          3.50    (#   1085:15  Unique         1.80, 4.28 A)
 &rst
  ixpk= 1085, nxpk= 15, iat=  -1,2122, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=2131,2132,2133,2135,2136,2137,
 &end
#
#  140 LEU  MDY         140 LEU  HN          4.50    (#   1086:15  Unique         1.80, 4.28 A)
 &rst
  ixpk= 1086, nxpk= 15, iat=  -1,2122, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=2131,2132,2133,2135,2136,2137,
 &end
#
#  125 GLU  HN          126 GLU  HN          3.50    (#   1087:15  Unique         2.73, 2.82 A)
 &rst
  ixpk= 1087, nxpk= 15, iat=1884,1899, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  126 GLU  HA          126 GLU  HN          2.80    (#   1088:15  Unique         2.84, 2.85 A)
 &rst
  ixpk= 1088, nxpk= 15, iat=1901,1899, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  125 GLU  HA          126 GLU  HN          3.50    (#   1089:15  Unique         3.49, 3.50 A)
 &rst
  ixpk= 1089, nxpk= 15, iat=1886,1899, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  126 GLU  HG+         126 GLU  HN          3.50    (#   1090:15  Unique         2.10, 2.76 A)
 &rst
  ixpk= 1090, nxpk= 15, iat=  -1,1899, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1906,1907,
 &end
#
#  126 GLU  HB+         126 GLU  HN          2.80    (#   1091:15  Unique         2.44, 3.07 A)
 &rst
  ixpk= 1091, nxpk= 15, iat=  -1,1899, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1903,1904,
 &end
#
#  124 GLU  HA          126 GLU  HN          5.50    (#   1092:15  Unique         3.55, 3.60 A)
 &rst
  ixpk= 1092, nxpk= 15, iat=1871,1899, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   47 LYS  HD-          44 GLN  HE2+        5.50    (#   1093:15  Unique         1.87, 2.80 A)
 &rst
  ixpk= 1093, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 750, 751,
 igr2= 706, 707,
 &end
#
#   48 ASP  HN           44 GLN  HE2+        5.50    (#   1094:15  Unique         3.41, 4.49 A)
 &rst
  ixpk= 1094, nxpk= 15, iat= 762,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 706, 707,
 &end
#
#   44 GLN  HA           44 GLN  HE2+        5.50    (#   1097:15  Unique         2.90, 3.39 A)
 &rst
  ixpk= 1097, nxpk= 15, iat= 696,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 706, 707,
 &end
#
#   44 GLN  HG-          44 GLN  HE2+        2.80    (#   1098:15  Unique         2.27, 3.31 A)
 &rst
  ixpk= 1098, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 701, 702,
 igr2= 706, 707,
 &end
#
#   47 LYS  HB+          44 GLN  HE2+        4.50    (#   1099:15  Unique         2.31, 2.78 A)
 &rst
  ixpk= 1099, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 744, 745,
 igr2= 706, 707,
 &end
#
#   24 ALA  HN           25 ILE  HN          2.80    (#   1101:15  Unique         2.74, 2.80 A)
 &rst
  ixpk= 1101, nxpk= 15, iat= 372, 382, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   25 ILE  HA           25 ILE  HN          3.50    (#   1103:15  Unique         2.81, 2.85 A)
 &rst
  ixpk= 1103, nxpk= 15, iat= 384, 382, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   21 TRP  HA           25 ILE  HN          5.50    (#   1104:15  Unique         3.71, 3.86 A)
 &rst
  ixpk= 1104, nxpk= 15, iat= 318, 382, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   22 GLN  HA           25 ILE  HN          4.50    (#   1105:15  Unique         3.54, 3.74 A)
 &rst
  ixpk= 1105, nxpk= 15, iat= 342, 382, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   25 ILE  HB           25 ILE  HN          2.80    (#   1106:15  Unique         2.51, 2.60 A)
 &rst
  ixpk= 1106, nxpk= 15, iat= 386, 382, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:1107    25 ILE  HN          5.50    (#   1107:15  Single Ambig)
 &rst
  ixpk= 1107, nxpk= 15, iat=  -1, 382, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1025,1026, 744, 745,
 &end
#
#   24 ALA  MB           25 ILE  HN          3.50    (#   1108:15  Unique         2.49, 3.47 A)
 &rst
  ixpk= 1108, nxpk= 15, iat=  -1, 382, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 376, 377, 378,
 &end
#
#    0 AMB  15-2:1109    25 ILE  HN          4.50    (#   1109:15  Single Ambig)
 &rst
  ixpk= 1109, nxpk= 15, iat=  -1, 382, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1= 747, 748, 395, 396, 397,
 &end
#
#   25 ILE  QG2          25 ILE  HN          4.50    (#   1110:15  Unique         4.43, 4.58 A)
 &rst
  ixpk= 1110, nxpk= 15, iat=  -1, 382, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 388, 389, 390,
 &end
#
#    0 AMB  15-2:1111    25 ILE  HN          4.50    (#   1111:15  Single Ambig)
 &rst
  ixpk= 1111, nxpk= 15, iat=  -1, 382, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 374, 437, 438,
 &end
#
#    0 AMB  15-2:1113   140 LEU  HN          5.50    (#   1113:15  Single Ambig)
 &rst
  ixpk= 1113, nxpk= 15, iat=  -1,2122, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2112,2113,2075,2076,
 &end
#
#   47 LYS  HD+          44 GLN  HE2-        5.50    (#   1117:15  Unique         1.87, 2.80 A)
 &rst
  ixpk= 1117, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 750, 751,
 igr2= 706, 707,
 &end
#
#    0 AMB  15-2:1118    44 GLN  HE2-        5.50    (#   1118:15  Single Ambig)
 &rst
  ixpk= 1118, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 799, 785,
 igr2= 706, 707,
 &end
#
#   44 GLN  HA           44 GLN  HE2-        5.50    (#   1121:15  Unique         2.90, 3.39 A)
 &rst
  ixpk= 1121, nxpk= 15, iat= 696,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 706, 707,
 &end
#
#   44 GLN  HG-          44 GLN  HE2-        3.50    (#   1122:15  Unique         2.27, 3.31 A)
 &rst
  ixpk= 1122, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 701, 702,
 igr2= 706, 707,
 &end
#
#    0 AMB  15-2:1123    44 GLN  HE2-        4.50    (#   1123:15  Single Ambig)
 &rst
  ixpk= 1123, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 744, 745, 744, 745,
 igr2= 706, 707,
 &end
#
#   47 LYS  HD-          44 GLN  HE2-        5.50    (#   1124:15  Unique         1.87, 2.80 A)
 &rst
  ixpk= 1124, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 750, 751,
 igr2= 706, 707,
 &end
#
#    0 AMB  15-2:1125     0 AMB  15-1:1125   5.50    (#   1125:15  Double Ambig)
 &rst
  ixpk= 1125, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 799, 785,
 igr2= 706, 707, 706, 707,
 &end
#
#   44 GLN  HB-          44 GLN  HE2+        5.50    (#   1126:15  Unique         4.35, 4.76 A)
 &rst
  ixpk= 1126, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 698, 699,
 igr2= 706, 707,
 &end
#
#   87 GLY  HN           86 GLN  HN          5.50    (#   1127:15  Unique         2.04, 2.92 A)
 &rst
  ixpk= 1127, nxpk= 15, iat=1336,1319, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   84 LEU  HA           86 GLN  HN          4.50    (#   1128:15  Unique         3.55, 3.71 A)
 &rst
  ixpk= 1128, nxpk= 15, iat=1287,1319, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   84 LEU  MDX          86 GLN  HN          4.50    (#   1129:15  Unique         3.12, 5.67 A)
 &rst
  ixpk= 1129, nxpk= 15, iat=  -1,1319, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1294,1295,1296,1298,1299,1300,
 &end
#
#   85 GLU  HN           86 GLN  HN          3.50    (#   1130:15  Unique         2.66, 2.81 A)
 &rst
  ixpk= 1130, nxpk= 15, iat=1304,1319, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   17 SER  HA           86 GLN  HN          3.50    (#   1131:15  Unique         3.05, 3.40 A)
 &rst
  ixpk= 1131, nxpk= 15, iat= 263,1319, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:1132    86 GLN  HN          3.50    (#   1132:15  Single Ambig)
 &rst
  ixpk= 1132, nxpk= 15, iat=  -1,1319, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1321, 246,
 &end
#
#   85 GLU  HB+          86 GLN  HN          3.50    (#   1133:15  Unique         2.60, 3.46 A)
 &rst
  ixpk= 1133, nxpk= 15, iat=  -1,1319, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1308,1309,
 &end
#
#   85 GLU  HB-          86 GLN  HN          3.50    (#   1134:15  Unique         2.60, 3.46 A)
 &rst
  ixpk= 1134, nxpk= 15, iat=  -1,1319, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1308,1309,
 &end
#
#   86 GLN  HB+          86 GLN  HN          2.80    (#   1135:15  Unique         2.43, 3.27 A)
 &rst
  ixpk= 1135, nxpk= 15, iat=  -1,1319, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1323,1324,
 &end
#
#    0 AMB  15-2:1136    86 GLN  HN          3.50    (#   1136:15  Single Ambig)
 &rst
  ixpk= 1136, nxpk= 15, iat=  -1,1319, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1289,1290,1502,1503,
 &end
#
#    8 PRO  HD-          79 MET  HN          4.50    (#   1138:15  Unique         2.31, 3.16 A)
 &rst
  ixpk= 1138, nxpk= 15, iat=  -1,1205, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 129, 130,
 &end
#
#   37 TYR  HD           79 MET  HN          5.50    (#   1139:15  Unique         5.27, 6.06 A)
 &rst
  ixpk= 1139, nxpk= 15, iat=  -1,1205, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 582, 591,
 &end
#
#   79 MET  HA           79 MET  HN          4.50    (#   1140:15  Unique         2.93, 2.95 A)
 &rst
  ixpk= 1140, nxpk= 15, iat=1207,1205, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    7 PHE  HA           79 MET  HN          4.50    (#   1141:15  Unique         2.19, 2.85 A)
 &rst
  ixpk= 1141, nxpk= 15, iat= 110,1205, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   78 GLY  HA+          79 MET  HN          2.80    (#   1142:15  Unique         2.49, 2.62 A)
 &rst
  ixpk= 1142, nxpk= 15, iat=  -1,1205, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1200,1201,
 &end
#
#   78 GLY  HA-          79 MET  HN          2.80    (#   1143:15  Unique         2.49, 2.62 A)
 &rst
  ixpk= 1143, nxpk= 15, iat=  -1,1205, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1200,1201,
 &end
#
#    6 TYR  HB+          79 MET  HN          5.50    (#   1144:15  Unique         2.90, 3.64 A)
 &rst
  ixpk= 1144, nxpk= 15, iat=  -1,1205, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  91,  92,
 &end
#
#    0 AMB  15-2:1145    79 MET  HN          4.50    (#   1145:15  Single Ambig)
 &rst
  ixpk= 1145, nxpk= 15, iat=  -1,1205, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=  91,  92,1212,1213,
 &end
#
#   79 MET  HB+          79 MET  HN          4.50    (#   1146:15  Unique         2.64, 3.31 A)
 &rst
  ixpk= 1146, nxpk= 15, iat=  -1,1205, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1209,1210,
 &end
#
#    0 AMB  15-2:1147    79 MET  HN          5.50    (#   1147:15  Single Ambig)
 &rst
  ixpk= 1147, nxpk= 15, iat=  -1,1205, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 495,1190,1191,1192,
 &end
#
#   32 LEU  MDY          79 MET  HN          4.50    (#   1148:15  Unique         2.56, 4.51 A)
 &rst
  ixpk= 1148, nxpk= 15, iat=  -1,1205, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 497, 498, 499, 501, 502, 503,
 &end
#
#   72 CYS  HN           71 GLU  HN          4.50    (#   1149:15  Unique         2.85, 2.92 A)
 &rst
  ixpk= 1149, nxpk= 15, iat=1115,1100, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:1151    71 GLU  HN          4.50    (#   1151:15  Single Ambig)
 &rst
  ixpk= 1151, nxpk= 15, iat=  -1,1100, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1096,1064,
 &end
#
#   71 GLU  HA           71 GLU  HN          3.50    (#   1152:15  Unique         2.76, 2.79 A)
 &rst
  ixpk= 1152, nxpk= 15, iat=1102,1100, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   70 PRO  HD+          71 GLU  HN          5.50    (#   1153:15  Unique         2.90, 3.66 A)
 &rst
  ixpk= 1153, nxpk= 15, iat=  -1,1100, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1087,1088,
 &end
#
#   70 PRO  HD-          71 GLU  HN          4.50    (#   1154:15  Unique         2.90, 3.66 A)
 &rst
  ixpk= 1154, nxpk= 15, iat=  -1,1100, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1087,1088,
 &end
#
#   70 PRO  HB+          71 GLU  HN          4.50    (#   1155:15  Unique         2.30, 3.10 A)
 &rst
  ixpk= 1155, nxpk= 15, iat=  -1,1100, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1093,1094,
 &end
#
#   71 GLU  HG+          71 GLU  HN          4.50    (#   1156:15  Unique         1.99, 2.79 A)
 &rst
  ixpk= 1156, nxpk= 15, iat=  -1,1100, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1107,1108,
 &end
#
#   71 GLU  HG-          71 GLU  HN          4.50    (#   1157:15  Unique         1.99, 2.79 A)
 &rst
  ixpk= 1157, nxpk= 15, iat=  -1,1100, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1107,1108,
 &end
#
#   71 GLU  HB+          71 GLU  HN          2.80    (#   1158:15  Unique         2.28, 2.99 A)
 &rst
  ixpk= 1158, nxpk= 15, iat=  -1,1100, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1104,1105,
 &end
#
#   70 PRO  HB-          71 GLU  HN          3.50    (#   1159:15  Unique         2.30, 3.10 A)
 &rst
  ixpk= 1159, nxpk= 15, iat=  -1,1100, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1093,1094,
 &end
#
#   69 ARG  HB+          71 GLU  HN          4.50    (#   1160:15  Unique         2.59, 3.34 A)
 &rst
  ixpk= 1160, nxpk= 15, iat=  -1,1100, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1066,1067,
 &end
#
#   79 MET  HG-          79 MET  HN          3.50    (#   1161:15  Unique         3.42, 3.94 A)
 &rst
  ixpk= 1161, nxpk= 15, iat=  -1,1205, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1212,1213,
 &end
#
#    3 LEU  HA            6 TYR  HN          4.50    (#   1162:15  Unique         3.45, 3.85 A)
 &rst
  ixpk= 1162, nxpk= 15, iat=  47,  87, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    5 ASP  HN            6 TYR  HN          2.80    (#   1168:15  Unique         2.48, 2.64 A)
 &rst
  ixpk= 1168, nxpk= 15, iat=  75,  87, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    7 PHE  HN            6 TYR  HN          2.80    (#   1169:15  Unique         1.99, 2.38 A)
 &rst
  ixpk= 1169, nxpk= 15, iat= 108,  87, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    6 TYR  HD            6 TYR  HN          3.50    (#   1170:15  Unique         2.39, 3.73 A)
 &rst
  ixpk= 1170, nxpk= 15, iat=  -1,  87, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=  95, 104,
 &end
#
#    5 ASP  HA            6 TYR  HN          4.50    (#   1171:15  Unique         3.40, 3.52 A)
 &rst
  ixpk= 1171, nxpk= 15, iat=  77,  87, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    6 TYR  HA            6 TYR  HN          3.50    (#   1172:15  Unique         2.92, 2.95 A)
 &rst
  ixpk= 1172, nxpk= 15, iat=  89,  87, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    5 ASP  HB-           6 TYR  HN          4.50    (#   1173:15  Unique         2.87, 3.53 A)
 &rst
  ixpk= 1173, nxpk= 15, iat=  -1,  87, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=  79,  80,
 &end
#
#    6 TYR  HB-           6 TYR  HN          3.50    (#   1174:15  Unique         2.34, 3.03 A)
 &rst
  ixpk= 1174, nxpk= 15, iat=  -1,  87, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=  91,  92,
 &end
#
#    0 AMB  15-2:1175   129 GLU  HN          4.50    (#   1175:15  Single Ambig)
 &rst
  ixpk= 1175, nxpk= 15, iat=  -1,1952, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=2007,2008,1991,
 &end
#
#  128 LEU  HB+         129 GLU  HN          3.50    (#   1176:15  Unique         2.63, 3.13 A)
 &rst
  ixpk= 1176, nxpk= 15, iat=  -1,1952, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1937,1938,
 &end
#
#  140 LEU  HA          144 ILE  HN          5.50    (#   1177:15  Unique         4.01, 4.26 A)
 &rst
  ixpk= 1177, nxpk= 15, iat=2124,2182, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  142 ASP  HN          144 ILE  HN          5.50    (#   1178:15  Unique         3.94, 4.07 A)
 &rst
  ixpk= 1178, nxpk= 15, iat=2151,2182, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:1179   144 ILE  HN          5.50    (#   1179:15  Single Ambig)
 &rst
  ixpk= 1179, nxpk= 15, iat=  -1,2182, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2153,2203,
 &end
#
#   54 GLY  HN           52 ASN  HN          4.50    (#   1180:15  Unique         3.91, 4.02 A)
 &rst
  ixpk= 1180, nxpk= 15, iat= 846, 818, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   52 ASN  HD2+         52 ASN  HN          4.50    (#   1181:15  Unique         2.28, 3.27 A)
 &rst
  ixpk= 1181, nxpk= 15, iat=  -1, 818, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 827, 828,
 &end
#
#   52 ASN  HD2-         52 ASN  HN          5.50    (#   1182:15  Unique         2.28, 3.27 A)
 &rst
  ixpk= 1182, nxpk= 15, iat=  -1, 818, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 827, 828,
 &end
#
#   52 ASN  HB+          52 ASN  HN          2.80    (#   1183:15  Unique         2.15, 2.86 A)
 &rst
  ixpk= 1183, nxpk= 15, iat=  -1, 818, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 822, 823,
 &end
#
#   51 ILE  HB           52 ASN  HN          2.80    (#   1184:15  Unique         2.44, 2.76 A)
 &rst
  ixpk= 1184, nxpk= 15, iat= 803, 818, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   51 ILE  QG2          52 ASN  HN          3.50    (#   1185:15  Unique         3.39, 4.27 A)
 &rst
  ixpk= 1185, nxpk= 15, iat=  -1, 818, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 805, 806, 807,
 &end
#
#   53 ASN  HN           52 ASN  HN          3.50    (#   1186:15  Unique         2.64, 2.75 A)
 &rst
  ixpk= 1186, nxpk= 15, iat= 832, 818, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   51 ILE  HN           52 ASN  HN          2.80    (#   1187:15  Unique         2.51, 2.66 A)
 &rst
  ixpk= 1187, nxpk= 15, iat= 799, 818, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   52 ASN  HA           52 ASN  HN          3.50    (#   1188:15  Unique         2.79, 2.83 A)
 &rst
  ixpk= 1188, nxpk= 15, iat= 820, 818, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   49 SER  HA           52 ASN  HN          3.50    (#   1189:15  Unique         2.85, 3.19 A)
 &rst
  ixpk= 1189, nxpk= 15, iat= 776, 818, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   50 THR  HA           52 ASN  HN          5.50    (#   1190:15  Unique         4.26, 4.42 A)
 &rst
  ixpk= 1190, nxpk= 15, iat= 787, 818, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   51 ILE  HA           52 ASN  HN          4.50    (#   1191:15  Unique         3.56, 3.59 A)
 &rst
  ixpk= 1191, nxpk= 15, iat= 801, 818, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   53 ASN  HB-          52 ASN  HN          4.50    (#   1192:15  Unique         4.58, 5.30 A)
 &rst
  ixpk= 1192, nxpk= 15, iat=  -1, 818, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 836, 837,
 &end
#
#  131 LEU  HN          129 GLU  HN          5.50    (#   1193:15  Unique         4.12, 4.21 A)
 &rst
  ixpk= 1193, nxpk= 15, iat=1984,1952, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  130 GLN  HN          129 GLU  HN          3.50    (#   1194:15  Unique         2.58, 2.65 A)
 &rst
  ixpk= 1194, nxpk= 15, iat=1967,1952, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  126 GLU  HA          129 GLU  HN          4.50    (#   1195:15  Unique         3.73, 3.94 A)
 &rst
  ixpk= 1195, nxpk= 15, iat=1901,1952, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  129 GLU  HA          129 GLU  HN          2.80    (#   1196:15  Unique         2.85, 2.86 A)
 &rst
  ixpk= 1196, nxpk= 15, iat=1954,1952, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  127 ILE  HA          129 GLU  HN          4.50    (#   1197:15  Unique         4.29, 4.41 A)
 &rst
  ixpk= 1197, nxpk= 15, iat=1916,1952, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  129 GLU  HG+         129 GLU  HN          3.50    (#   1198:15  Unique         2.82, 3.59 A)
 &rst
  ixpk= 1198, nxpk= 15, iat=  -1,1952, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1959,1960,
 &end
#
#  130 GLN  HB+         129 GLU  HN          4.50    (#   1199:15  Unique         4.68, 5.43 A)
 &rst
  ixpk= 1199, nxpk= 15, iat=  -1,1952, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1971,1972,
 &end
#
#  128 LEU  HB-         129 GLU  HN          3.50    (#   1200:15  Unique         2.63, 3.13 A)
 &rst
  ixpk= 1200, nxpk= 15, iat=  -1,1952, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1937,1938,
 &end
#
#    0 AMB  15-2:1201   129 GLU  HN          4.50    (#   1201:15  Single Ambig)
 &rst
  ixpk= 1201, nxpk= 15, iat=  -1,1952, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1=2012,2013,2014,2016,2017,2018,2012,2013,2014,2016,
      2017,2018,1942,1943,1944,1946,1947,1948,1942,1943,
      1944,1946,1947,1948,
 &end
#
#  143 ILE  HA          144 ILE  HN          4.50    (#   1202:15  Unique         3.54, 3.57 A)
 &rst
  ixpk= 1202, nxpk= 15, iat=2165,2182, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  144 ILE  HG1-        144 ILE  HN          3.50    (#   1203:15  Unique         2.21, 3.10 A)
 &rst
  ixpk= 1203, nxpk= 15, iat=  -1,2182, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=2192,2193,
 &end
#
#  145 SER  HN          144 ILE  HN          3.50    (#   1204:15  Unique         2.56, 2.68 A)
 &rst
  ixpk= 1204, nxpk= 15, iat=2201,2182, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:1205   144 ILE  HN          5.50    (#   1205:15  Single Ambig)
 &rst
  ixpk= 1205, nxpk= 15, iat=  -1,2182, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1=2205,2206,  68,  69,  66,
 &end
#
#    0 AMB  15-2:1206   144 ILE  HN          3.50    (#   1206:15  Single Ambig)
 &rst
  ixpk= 1206, nxpk= 15, iat=  -1,2182, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=2184,2143,
 &end
#
#    0 AMB  15-2:1207   144 ILE  HN          2.80    (#   1207:15  Single Ambig)
 &rst
  ixpk= 1207, nxpk= 15, iat=  -1,2182, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=2186,2167,
 &end
#
#  141 ALA  MB          144 ILE  HN          5.50    (#   1208:15  Unique         4.83, 5.42 A)
 &rst
  ixpk= 1208, nxpk= 15, iat=  -1,2182, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=2145,2146,2147,
 &end
#
#  144 ILE  HG1+        144 ILE  HN          3.50    (#   1209:15  Unique         2.21, 3.10 A)
 &rst
  ixpk= 1209, nxpk= 15, iat=  -1,2182, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=2192,2193,
 &end
#
#    0 AMB  15-2:1210   144 ILE  HN          3.50    (#   1210:15  Single Ambig)
 &rst
  ixpk= 1210, nxpk= 15, iat=  -1,2182, r1= 0.00, r2= 1.80, r3= 5.22, r4= 5.97,
 igr1=2169,2170,2171,1829,1830,1831,1833,1834,1835, 189,
       190,
 &end
#
#    0 AMB  15-2:1211   144 ILE  HN          4.50    (#   1211:15  Single Ambig)
 &rst
  ixpk= 1211, nxpk= 15, iat=  -1,2182, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=2188,2189,2190, 192, 193, 194,
 &end
#
#  144 ILE  QD1         144 ILE  HN          4.50    (#   1212:15  Unique         3.17, 4.24 A)
 &rst
  ixpk= 1212, nxpk= 15, iat=  -1,2182, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=2195,2196,2197,
 &end
#
#  118 LEU  HN          119 SER  HN          3.50    (#   1213:15  Unique         2.51, 2.64 A)
 &rst
  ixpk= 1213, nxpk= 15, iat=1775,1794, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:1214   119 SER  HN          4.50    (#   1214:15  Single Ambig)
 &rst
  ixpk= 1214, nxpk= 15, iat=  -1,1794, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1765,1839,
 &end
#
#  120 GLU  HN          119 SER  HN          3.50    (#   1215:15  Unique         2.79, 2.85 A)
 &rst
  ixpk= 1215, nxpk= 15, iat=1805,1794, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:1216   119 SER  HN          2.80    (#   1216:15  Single Ambig)
 &rst
  ixpk= 1216, nxpk= 15, iat=  -1,1794, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1796,1750,1777,
 &end
#
#  115 ILE  HA          119 SER  HN          4.50    (#   1217:15  Unique         3.90, 4.02 A)
 &rst
  ixpk= 1217, nxpk= 15, iat=1731,1794, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  118 LEU  HB+         119 SER  HN          3.50    (#   1218:15  Unique         2.74, 3.86 A)
 &rst
  ixpk= 1218, nxpk= 15, iat=  -1,1794, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1779,1780,
 &end
#
#  118 LEU  HB-         119 SER  HN          3.50    (#   1219:15  Unique         2.74, 3.86 A)
 &rst
  ixpk= 1219, nxpk= 15, iat=  -1,1794, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1779,1780,
 &end
#
#  118 LEU  MDX         119 SER  HN          4.50    (#   1220:15  Unique         2.09, 4.62 A)
 &rst
  ixpk= 1220, nxpk= 15, iat=  -1,1794, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1784,1785,1786,1788,1789,1790,
 &end
#
#    0 AMB  15-2:1221   119 SER  HN          4.50    (#   1221:15  Single Ambig)
 &rst
  ixpk= 1221, nxpk= 15, iat=  -1,1794, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1735,1736,1737,1846,
 &end
#
#   51 ILE  HG1-         52 ASN  HN          5.50    (#   1222:15  Unique         4.41, 4.85 A)
 &rst
  ixpk= 1222, nxpk= 15, iat=  -1, 818, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 809, 810,
 &end
#
#  116 GLN  HN          115 ILE  HN          3.50    (#   1224:15  Unique         2.69, 2.78 A)
 &rst
  ixpk= 1224, nxpk= 15, iat=1748,1729, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  116 GLN  HA          115 ILE  HN          5.50    (#   1225:15  Unique         5.30, 5.37 A)
 &rst
  ixpk= 1225, nxpk= 15, iat=1750,1729, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:1226   115 ILE  HN          3.50    (#   1226:15  Single Ambig)
 &rst
  ixpk= 1226, nxpk= 15, iat=  -1,1729, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1695,1721,
 &end
#
#  115 ILE  HA          115 ILE  HN          3.50    (#   1227:15  Unique         2.72, 2.75 A)
 &rst
  ixpk= 1227, nxpk= 15, iat=1731,1729, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  116 GLN  HB+         115 ILE  HN          5.50    (#   1228:15  Unique         4.69, 5.55 A)
 &rst
  ixpk= 1228, nxpk= 15, iat=  -1,1729, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1752,1753,
 &end
#
#  115 ILE  HB          115 ILE  HN          2.80    (#   1229:15  Unique         2.04, 2.10 A)
 &rst
  ixpk= 1229, nxpk= 15, iat=1733,1729, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  115 ILE  HG1-        115 ILE  HN          3.50    (#   1230:15  Unique         2.48, 3.14 A)
 &rst
  ixpk= 1230, nxpk= 15, iat=  -1,1729, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1739,1740,
 &end
#
#    0 AMB  15-2:1231   115 ILE  HN          2.80    (#   1231:15  Single Ambig)
 &rst
  ixpk= 1231, nxpk= 15, iat=  -1,1729, r1= 0.00, r2= 1.80, r3= 3.66, r4= 4.41,
 igr1=1723,1724,1725,1739,1740,
 &end
#
#  115 ILE  QG2         115 ILE  HN          3.50    (#   1232:15  Unique         3.94, 4.32 A)
 &rst
  ixpk= 1232, nxpk= 15, iat=  -1,1729, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1735,1736,1737,
 &end
#
#  121 LEU  HN          119 SER  HN          5.50    (#   1235:15  Unique         4.02, 4.12 A)
 &rst
  ixpk= 1235, nxpk= 15, iat=1820,1794, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:1237   119 SER  HN          5.50    (#   1237:15  Single Ambig)
 &rst
  ixpk= 1237, nxpk= 15, iat=  -1,1794, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1809,1810,1752,1753,
 &end
#
#    0 AMB  15-2:1238   119 SER  HN          5.50    (#   1238:15  Single Ambig)
 &rst
  ixpk= 1238, nxpk= 15, iat=  -1,1794, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1733,1559,
 &end
#
#    0 AMB  15-2:1239   115 ILE  HN          4.50    (#   1239:15  Single Ambig)
 &rst
  ixpk= 1239, nxpk= 15, iat=  -1,1729, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1678,1714,1715,
 &end
#
#  103 LEU  MDX         115 ILE  HN          4.50    (#   1240:15  Unique         2.43, 4.21 A)
 &rst
  ixpk= 1240, nxpk= 15, iat=  -1,1729, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1590,1591,1592,1594,1595,1596,
 &end
#
#   79 MET  HN           78 GLY  HN          5.50    (#   1244:15  Unique         4.32, 4.36 A)
 &rst
  ixpk= 1244, nxpk= 15, iat=1205,1198, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  104 SER  HN           78 GLY  HN          4.50    (#   1245:15  Unique         2.61, 2.72 A)
 &rst
  ixpk= 1245, nxpk= 15, iat=1600,1198, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:1246    78 GLY  HN          5.50    (#   1246:15  Single Ambig)
 &rst
  ixpk= 1246, nxpk= 15, iat=  -1,1198, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1621,1581,
 &end
#
#   37 TYR  HD           78 GLY  HN          4.50    (#   1247:15  Unique         3.33, 5.43 A)
 &rst
  ixpk= 1247, nxpk= 15, iat=  -1,1198, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 582, 591,
 &end
#
#   77 THR  HA           78 GLY  HN          2.80    (#   1248:15  Unique         2.18, 2.20 A)
 &rst
  ixpk= 1248, nxpk= 15, iat=1186,1198, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  105 ALA  HA           78 GLY  HN          4.50    (#   1249:15  Unique         3.49, 3.58 A)
 &rst
  ixpk= 1249, nxpk= 15, iat=1613,1198, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   78 GLY  HA+          78 GLY  HN          4.50    (#   1250:15  Unique         2.75, 2.82 A)
 &rst
  ixpk= 1250, nxpk= 15, iat=  -1,1198, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1200,1201,
 &end
#
#    0 AMB  15-2:1251    78 GLY  HN          5.50    (#   1251:15  Single Ambig)
 &rst
  ixpk= 1251, nxpk= 15, iat=  -1,1198, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1602,1164,
 &end
#
#   78 GLY  HA-          78 GLY  HN          4.50    (#   1253:15  Unique         2.75, 2.82 A)
 &rst
  ixpk= 1253, nxpk= 15, iat=  -1,1198, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1200,1201,
 &end
#
#  104 SER  HB+          78 GLY  HN          4.50    (#   1254:15  Unique         3.62, 4.51 A)
 &rst
  ixpk= 1254, nxpk= 15, iat=  -1,1198, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1604,1605,
 &end
#
#  104 SER  HB-          78 GLY  HN          4.50    (#   1255:15  Unique         3.62, 4.51 A)
 &rst
  ixpk= 1255, nxpk= 15, iat=  -1,1198, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1604,1605,
 &end
#
#   77 THR  MG2          78 GLY  HN          3.50    (#   1256:15  Unique         3.05, 3.73 A)
 &rst
  ixpk= 1256, nxpk= 15, iat=  -1,1198, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1190,1191,1192,
 &end
#
#  103 LEU  MDY          78 GLY  HN          4.50    (#   1257:15  Unique         3.26, 5.75 A)
 &rst
  ixpk= 1257, nxpk= 15, iat=  -1,1198, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1590,1591,1592,1594,1595,1596,
 &end
#
#    0 AMB  15-2:1258    78 GLY  HN          5.50    (#   1258:15  Single Ambig)
 &rst
  ixpk= 1258, nxpk= 15, iat=  -1,1198, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1585,1586,1169,1170,
 &end
#
#   30 VAL  HN           31 SER  HN          3.50    (#   1259:15  Unique         3.08, 3.14 A)
 &rst
  ixpk= 1259, nxpk= 15, iat= 461, 477, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   32 LEU  HN           31 SER  HN          3.50    (#   1260:15  Unique         2.64, 2.76 A)
 &rst
  ixpk= 1260, nxpk= 15, iat= 488, 477, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   31 SER  HB-          31 SER  HN          3.50    (#   1262:15  Unique         2.39, 3.13 A)
 &rst
  ixpk= 1262, nxpk= 15, iat=  -1, 477, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 481, 482,
 &end
#
#   31 SER  HB+          31 SER  HN          3.50    (#   1263:15  Unique         2.39, 3.13 A)
 &rst
  ixpk= 1263, nxpk= 15, iat=  -1, 477, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 481, 482,
 &end
#
#   30 VAL  HB           31 SER  HN          5.50    (#   1264:15  Unique         4.10, 4.16 A)
 &rst
  ixpk= 1264, nxpk= 15, iat= 465, 477, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:1265    31 SER  HN          2.80    (#   1265:15  Single Ambig)
 &rst
  ixpk= 1265, nxpk= 15, iat=  -1, 477, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 467, 468, 469, 471, 472, 473, 467, 468, 469, 471,
       472, 473,
 &end
#
#   31 SER  HA           31 SER  HN          3.50    (#   1267:15  Unique         2.78, 2.80 A)
 &rst
  ixpk= 1267, nxpk= 15, iat= 479, 477, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:1268    31 SER  HN          5.50    (#   1268:15  Single Ambig)
 &rst
  ixpk= 1268, nxpk= 15, iat=  -1, 477, r1= 0.00, r2= 1.80, r3= 7.61, r4= 8.36,
 igr1= 492, 493, 448, 449, 455, 456, 457,
 &end
#
#   33 LEU  HN           31 SER  HN          5.50    (#   1269:15  Unique         4.06, 4.23 A)
 &rst
  ixpk= 1269, nxpk= 15, iat= 507, 477, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   29 MET  HA           31 SER  HN          5.50    (#   1270:15  Unique         4.06, 4.18 A)
 &rst
  ixpk= 1270, nxpk= 15, iat= 446, 477, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   32 LEU  HG           31 SER  HN          5.50    (#   1271:15  Unique         4.12, 4.51 A)
 &rst
  ixpk= 1271, nxpk= 15, iat= 495, 477, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   36 ASN  HN           37 TYR  HN          3.50    (#   1273:15  Unique         2.83, 2.99 A)
 &rst
  ixpk= 1273, nxpk= 15, iat= 560, 574, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   37 TYR  HD           37 TYR  HN          3.50    (#   1274:15  Unique         2.55, 3.88 A)
 &rst
  ixpk= 1274, nxpk= 15, iat=  -1, 574, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 582, 591,
 &end
#
#   37 TYR  HA           37 TYR  HN          3.50    (#   1275:15  Unique         2.91, 2.93 A)
 &rst
  ixpk= 1275, nxpk= 15, iat= 576, 574, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   32 LEU  HA           37 TYR  HN          4.50    (#   1276:15  Unique         3.46, 3.64 A)
 &rst
  ixpk= 1276, nxpk= 15, iat= 490, 574, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:1277    37 TYR  HN          4.50    (#   1277:15  Single Ambig)
 &rst
  ixpk= 1277, nxpk= 15, iat=  -1, 574, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 605, 606,1169,1170,
 &end
#
#   38 ILE  HN           37 TYR  HN          2.80    (#   1278:15  Unique         2.36, 2.43 A)
 &rst
  ixpk= 1278, nxpk= 15, iat= 595, 574, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   36 ASN  HA           37 TYR  HN          3.50    (#   1279:15  Unique         2.64, 2.76 A)
 &rst
  ixpk= 1279, nxpk= 15, iat= 562, 574, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   37 TYR  HB-          37 TYR  HN          3.50    (#   1280:15  Unique         2.29, 2.96 A)
 &rst
  ixpk= 1280, nxpk= 15, iat=  -1, 574, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 578, 579,
 &end
#
#   28 SER  HB+          28 SER  HN          2.80    (#   1282:15  Unique         2.30, 2.85 A)
 &rst
  ixpk= 1282, nxpk= 15, iat=  -1, 433, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 437, 438,
 &end
#
#   27 PHE  HB+          28 SER  HN          3.50    (#   1283:15  Unique         3.01, 3.48 A)
 &rst
  ixpk= 1283, nxpk= 15, iat=  -1, 433, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 417, 418,
 &end
#
#    0 AMB  15-2:1284    28 SER  HN          5.50    (#   1284:15  Single Ambig)
 &rst
  ixpk= 1284, nxpk= 15, iat=  -1, 433, r1= 0.00, r2= 1.80, r3= 7.61, r4= 8.36,
 igr1= 448, 449,1025,1026, 455, 456, 457,
 &end
#
#   27 PHE  HN           28 SER  HN          3.50    (#   1285:15  Unique         2.62, 2.78 A)
 &rst
  ixpk= 1285, nxpk= 15, iat= 413, 433, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   29 MET  HN           28 SER  HN          3.50    (#   1286:15  Unique         2.39, 2.58 A)
 &rst
  ixpk= 1286, nxpk= 15, iat= 444, 433, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:1288    28 SER  HN          3.50    (#   1288:15  Single Ambig)
 &rst
  ixpk= 1288, nxpk= 15, iat=  -1, 433, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 435, 415,
 &end
#
#   25 ILE  HA           28 SER  HN          3.50    (#   1289:15  Unique         3.11, 3.21 A)
 &rst
  ixpk= 1289, nxpk= 15, iat= 384, 433, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:1290    28 SER  HN          5.50    (#   1290:15  Single Ambig)
 &rst
  ixpk= 1290, nxpk= 15, iat=  -1, 433, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 451, 452, 405, 406,
 &end
#
#    0 AMB  15-2:1291    28 SER  HN          5.50    (#   1291:15  Single Ambig)
 &rst
  ixpk= 1291, nxpk= 15, iat=  -1, 433, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1= 395, 396, 397, 747, 748,
 &end
#
#    0 AMB  15-2:1292    31 SER  HN          5.50    (#   1292:15  Single Ambig)
 &rst
  ixpk= 1292, nxpk= 15, iat=  -1, 477, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 444, 179,
 &end
#
#    0 AMB  15-2:1294    37 TYR  HN          4.50    (#   1294:15  Single Ambig)
 &rst
  ixpk= 1294, nxpk= 15, iat=  -1, 574, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1172,1173,1166,1167,1169,1170,
 &end
#
#    0 AMB  15-2:1295    37 TYR  HN          4.50    (#   1295:15  Single Ambig)
 &rst
  ixpk= 1295, nxpk= 15, iat=  -1, 574, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1= 605, 606, 601, 602, 603,
 &end
#
#   32 LEU  MDY          37 TYR  HN          5.50    (#   1296:15  Unique         4.98, 6.40 A)
 &rst
  ixpk= 1296, nxpk= 15, iat=  -1, 574, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 497, 498, 499, 501, 502, 503,
 &end
#
#   37 TYR  HB+          37 TYR  HN          3.50    (#   1297:15  Unique         2.29, 2.96 A)
 &rst
  ixpk= 1297, nxpk= 15, iat=  -1, 574, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 578, 579,
 &end
#
#   30 VAL  HN           28 SER  HN          4.50    (#   1298:15  Unique         3.94, 4.21 A)
 &rst
  ixpk= 1298, nxpk= 15, iat= 461, 433, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:1299    28 SER  HN          5.50    (#   1299:15  Single Ambig)
 &rst
  ixpk= 1299, nxpk= 15, iat=  -1, 433, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 448, 449, 392, 393, 364, 365,
 &end
#
#    0 AMB  15-2:1300    28 SER  HN          5.50    (#   1300:15  Single Ambig)
 &rst
  ixpk= 1300, nxpk= 15, iat=  -1, 433, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 467, 468, 469, 471, 472, 473, 467, 468, 469, 471,
       472, 473,
 &end
#
#  100 LEU  MDX          28 SER  HN          5.50    (#   1301:15  Unique         3.87, 6.08 A)
 &rst
  ixpk= 1301, nxpk= 15, iat=  -1, 433, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1545,1546,1547,1549,1550,1551,
 &end
#
#   74 ALA  HA           39 SER  HN          4.50    (#   1305:15  Unique         3.57, 3.83 A)
 &rst
  ixpk= 1305, nxpk= 15, iat=1135, 614, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   75 LEU  MDX          39 SER  HN          4.50    (#   1306:15  Unique         3.82, 5.04 A)
 &rst
  ixpk= 1306, nxpk= 15, iat=  -1, 614, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1152,1153,1154,1156,1157,1158,
 &end
#
#    0 AMB  15-2:1307    39 SER  HN          3.50    (#   1307:15  Single Ambig)
 &rst
  ixpk= 1307, nxpk= 15, iat=  -1, 614, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
 igr1= 605, 606, 601, 602, 603,
 &end
#
#   38 ILE  HA           39 SER  HN          2.80    (#   1308:15  Unique         2.34, 2.44 A)
 &rst
  ixpk= 1308, nxpk= 15, iat= 597, 614, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   42 TYR  HB+          39 SER  HN          4.50    (#   1309:15  Unique         2.61, 2.98 A)
 &rst
  ixpk= 1309, nxpk= 15, iat=  -1, 614, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 658, 659,
 &end
#
#   38 ILE  HB           39 SER  HN          2.80    (#   1310:15  Unique         2.13, 2.40 A)
 &rst
  ixpk= 1310, nxpk= 15, iat= 599, 614, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   75 LEU  HG           39 SER  HN          4.50    (#   1311:15  Unique         3.08, 3.38 A)
 &rst
  ixpk= 1311, nxpk= 15, iat=1150, 614, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   38 ILE  HG1+         39 SER  HN          4.50    (#   1312:15  Unique         3.34, 4.20 A)
 &rst
  ixpk= 1312, nxpk= 15, iat=  -1, 614, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 605, 606,
 &end
#
#   58 ILE  HN           57 TYR  HN          4.50    (#   1313:15  Unique         3.76, 4.15 A)
 &rst
  ixpk= 1313, nxpk= 15, iat= 909, 888, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   39 SER  HB+          39 SER  HN          3.50    (#   1315:15  Unique         2.39, 3.19 A)
 &rst
  ixpk= 1315, nxpk= 15, iat=  -1, 614, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 618, 619,
 &end
#
#    0 AMB  15-2:1316    39 SER  HN          5.50    (#   1316:15  Single Ambig)
 &rst
  ixpk= 1316, nxpk= 15, iat=  -1, 614, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 654, 649, 650,
 &end
#
#    0 AMB  15-2:1318    39 SER  HN          5.50    (#   1318:15  Single Ambig)
 &rst
  ixpk= 1318, nxpk= 15, iat=  -1, 614, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 608, 609, 610, 688, 689, 690,
 &end
#
#    0 AMB  15-2:1322    43 ILE  HN          3.50    (#   1322:15  Single Ambig)
 &rst
  ixpk= 1322, nxpk= 15, iat=  -1, 675, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 681, 682, 683, 516, 517, 518, 520, 521, 522,
 &end
#
#   45 ALA  HN           43 ILE  HN          5.50    (#   1323:15  Unique         3.98, 4.11 A)
 &rst
  ixpk= 1323, nxpk= 15, iat= 711, 675, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   42 TYR  HN           43 ILE  HN          3.50    (#   1324:15  Unique         2.57, 2.66 A)
 &rst
  ixpk= 1324, nxpk= 15, iat= 654, 675, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   44 GLN  HN           43 ILE  HN          3.50    (#   1325:15  Unique         2.72, 2.77 A)
 &rst
  ixpk= 1325, nxpk= 15, iat= 694, 675, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:1326    43 ILE  HN          5.50    (#   1326:15  Single Ambig)
 &rst
  ixpk= 1326, nxpk= 15, iat=  -1, 675, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 642, 618, 619,
 &end
#
#   40 GLU  HA           43 ILE  HN          4.50    (#   1327:15  Unique         3.13, 3.35 A)
 &rst
  ixpk= 1327, nxpk= 15, iat= 627, 675, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:1328    43 ILE  HN          3.50    (#   1328:15  Single Ambig)
 &rst
  ixpk= 1328, nxpk= 15, iat=  -1, 675, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 658, 659, 677,
 &end
#
#   42 TYR  HB-          43 ILE  HN          4.50    (#   1329:15  Unique         2.33, 3.08 A)
 &rst
  ixpk= 1329, nxpk= 15, iat=  -1, 675, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 658, 659,
 &end
#
#    0 AMB  15-2:1330    43 ILE  HN          5.50    (#   1330:15  Single Ambig)
 &rst
  ixpk= 1330, nxpk= 15, iat=  -1, 675, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 451, 452, 644, 645,
 &end
#
#    0 AMB  15-2:1331    43 ILE  HN          2.80    (#   1331:15  Single Ambig)
 &rst
  ixpk= 1331, nxpk= 15, iat=  -1, 675, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 685, 686, 679,
 &end
#
#   43 ILE  QD1          43 ILE  HN          3.50    (#   1332:15  Unique         2.45, 4.14 A)
 &rst
  ixpk= 1332, nxpk= 15, iat=  -1, 675, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 688, 689, 690,
 &end
#
#   43 ILE  HG1-         43 ILE  HN          3.50    (#   1333:15  Unique         1.82, 2.62 A)
 &rst
  ixpk= 1333, nxpk= 15, iat=  -1, 675, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 685, 686,
 &end
#
#   57 TYR  HA           57 TYR  HN          5.50    (#   1334:15  Unique         2.87, 2.92 A)
 &rst
  ixpk= 1334, nxpk= 15, iat= 890, 888, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   56 TYR  HN           57 TYR  HN          4.50    (#   1335:15  Unique         2.10, 2.65 A)
 &rst
  ixpk= 1335, nxpk= 15, iat= 867, 888, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   55 PRO  HA           57 TYR  HN          5.50    (#   1337:15  Unique         3.59, 3.93 A)
 &rst
  ixpk= 1337, nxpk= 15, iat= 863, 888, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   11 SER  HN           10 SER  HN          3.50    (#   1338:15  Unique         2.74, 2.95 A)
 &rst
  ixpk= 1338, nxpk= 15, iat= 168, 157, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   10 SER  HA           10 SER  HN          2.80    (#   1340:15  Unique         2.17, 2.58 A)
 &rst
  ixpk= 1340, nxpk= 15, iat= 159, 157, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    9 GLU  HA           10 SER  HN          3.50    (#   1341:15  Unique         2.34, 3.11 A)
 &rst
  ixpk= 1341, nxpk= 15, iat= 144, 157, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    9 GLU  HG+          10 SER  HN          4.50    (#   1342:15  Unique         1.82, 3.03 A)
 &rst
  ixpk= 1342, nxpk= 15, iat=  -1, 157, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 149, 150,
 &end
#
#    9 GLU  HB+          10 SER  HN          3.50    (#   1343:15  Unique         2.16, 3.36 A)
 &rst
  ixpk= 1343, nxpk= 15, iat=  -1, 157, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 146, 147,
 &end
#
#    0 AMB  15-2:1345    39 SER  HN          4.50    (#   1345:15  Single Ambig)
 &rst
  ixpk= 1345, nxpk= 15, iat=  -1, 614, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 608, 609, 610, 688, 689, 690,
 &end
#
#    0 AMB  15-2:1346     0 AMB  15-1:1346   3.50    (#   1346:15  Double Ambig)
 &rst
  ixpk= 1346, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 618, 619, 776,
 igr2= 614, 832,
 &end
#
#   47 LYS  HN           49 SER  HN          5.50    (#   1349:15  Unique         4.19, 4.46 A)
 &rst
  ixpk= 1349, nxpk= 15, iat= 740, 774, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   48 ASP  HN           49 SER  HN          3.50    (#   1352:15  Unique         2.69, 2.87 A)
 &rst
  ixpk= 1352, nxpk= 15, iat= 762, 774, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   50 THR  HN           49 SER  HN          3.50    (#   1353:15  Unique         2.59, 2.67 A)
 &rst
  ixpk= 1353, nxpk= 15, iat= 785, 774, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   49 SER  HB-          49 SER  HN          2.80    (#   1356:15  Unique         2.44, 3.07 A)
 &rst
  ixpk= 1356, nxpk= 15, iat=  -1, 774, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 778, 779,
 &end
#
#   49 SER  HB+          49 SER  HN          3.50    (#   1357:15  Unique         2.44, 3.07 A)
 &rst
  ixpk= 1357, nxpk= 15, iat=  -1, 774, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 778, 779,
 &end
#
#   46 ILE  HA           49 SER  HN          4.50    (#   1358:15  Unique         3.21, 3.59 A)
 &rst
  ixpk= 1358, nxpk= 15, iat= 723, 774, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   48 ASP  HB-          49 SER  HN          2.80    (#   1359:15  Unique         2.36, 3.34 A)
 &rst
  ixpk= 1359, nxpk= 15, iat=  -1, 774, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 766, 767,
 &end
#
#    0 AMB  15-2:1360    49 SER  HN          5.50    (#   1360:15  Single Ambig)
 &rst
  ixpk= 1360, nxpk= 15, iat=  -1, 774, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 803, 744, 745,
 &end
#
#  144 ILE  HN          145 SER  HN          3.50    (#   1361:15  Unique         2.56, 2.68 A)
 &rst
  ixpk= 1361, nxpk= 15, iat=2182,2201, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  146 ARG  HN          145 SER  HN          2.80    (#   1362:15  Unique         2.65, 2.78 A)
 &rst
  ixpk= 1362, nxpk= 15, iat=2212,2201, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:1363   145 SER  HN          2.80    (#   1363:15  Single Ambig)
 &rst
  ixpk= 1363, nxpk= 15, iat=  -1,2201, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=2203,2153,
 &end
#
#  145 SER  HB+         145 SER  HN          2.80    (#   1364:15  Unique         2.52, 3.08 A)
 &rst
  ixpk= 1364, nxpk= 15, iat=  -1,2201, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=2205,2206,
 &end
#
#    0 AMB  15-2:1365   145 SER  HN          3.50    (#   1365:15  Single Ambig)
 &rst
  ixpk= 1365, nxpk= 15, iat=  -1,2201, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=2184,2143,
 &end
#
#  144 ILE  HB          145 SER  HN          3.50    (#   1366:15  Unique         2.31, 2.59 A)
 &rst
  ixpk= 1366, nxpk= 15, iat=2186,2201, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  144 ILE  HG1-        145 SER  HN          4.50    (#   1367:15  Unique         3.95, 4.67 A)
 &rst
  ixpk= 1367, nxpk= 15, iat=  -1,2201, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=2192,2193,
 &end
#
#    0 AMB  15-2:1368   145 SER  HN          4.50    (#   1368:15  Single Ambig)
 &rst
  ixpk= 1368, nxpk= 15, iat=  -1,2201, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=2169,2170,2171,1829,1830,1831,1833,1834,1835,2176,
      2177,2178,
 &end
#
#  144 ILE  QG2         145 SER  HN          4.50    (#   1369:15  Unique         2.84, 4.09 A)
 &rst
  ixpk= 1369, nxpk= 15, iat=  -1,2201, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=2188,2189,2190,
 &end
#
#  144 ILE  QD1         145 SER  HN          5.50    (#   1370:15  Unique         4.99, 5.67 A)
 &rst
  ixpk= 1370, nxpk= 15, iat=  -1,2201, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=2195,2196,2197,
 &end
#
#  144 ILE  HG1+        145 SER  HN          4.50    (#   1372:15  Unique         3.95, 4.67 A)
 &rst
  ixpk= 1372, nxpk= 15, iat=  -1,2201, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=2192,2193,
 &end
#
#    0 AMB  15-2:1374     0 AMB  15-1:1374   5.50    (#   1374:15  Double Ambig)
 &rst
  ixpk= 1374, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 618, 619, 642,
 igr2= 649, 650, 649, 650,
 &end
#
#    0 AMB  15-2:1377    41 ASN  HD2-        5.50    (#   1377:15  Single Ambig)
 &rst
  ixpk= 1377, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 618, 619, 642,
 igr2= 649, 650,
 &end
#
#   72 CYS  HA           41 ASN  HD2-        5.50    (#   1378:15  Unique         3.21, 3.87 A)
 &rst
  ixpk= 1378, nxpk= 15, iat=1117,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 649, 650,
 &end
#
#   41 ASN  HB+          41 ASN  HD2-        5.50    (#   1379:15  Unique         2.26, 3.42 A)
 &rst
  ixpk= 1379, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 644, 645,
 igr2= 649, 650,
 &end
#
#   52 ASN  HA           53 ASN  HN          4.50    (#   1380:15  Unique         3.50, 3.54 A)
 &rst
  ixpk= 1380, nxpk= 15, iat= 820, 832, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   52 ASN  HN           53 ASN  HN          3.50    (#   1381:15  Unique         2.64, 2.75 A)
 &rst
  ixpk= 1381, nxpk= 15, iat= 818, 832, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   54 GLY  HN           53 ASN  HN          2.80    (#   1382:15  Unique         1.85, 1.93 A)
 &rst
  ixpk= 1382, nxpk= 15, iat= 846, 832, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   53 ASN  HB-          53 ASN  HN          2.80    (#   1383:15  Unique         2.38, 3.03 A)
 &rst
  ixpk= 1383, nxpk= 15, iat=  -1, 832, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 836, 837,
 &end
#
#   52 ASN  HB+          53 ASN  HN          2.80    (#   1384:15  Unique         2.68, 3.06 A)
 &rst
  ixpk= 1384, nxpk= 15, iat=  -1, 832, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 822, 823,
 &end
#
#   51 ILE  HB           53 ASN  HN          5.50    (#   1385:15  Unique         5.01, 5.26 A)
 &rst
  ixpk= 1385, nxpk= 15, iat= 803, 832, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   72 CYS  HA           41 ASN  HD2+        5.50    (#   1388:15  Unique         3.21, 3.87 A)
 &rst
  ixpk= 1388, nxpk= 15, iat=1117,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 649, 650,
 &end
#
#   41 ASN  HB-          41 ASN  HD2+        4.50    (#   1389:15  Unique         2.26, 3.42 A)
 &rst
  ixpk= 1389, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 644, 645,
 igr2= 649, 650,
 &end
#
#   41 ASN  HB+          41 ASN  HD2+        4.50    (#   1390:15  Unique         2.26, 3.42 A)
 &rst
  ixpk= 1390, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 644, 645,
 igr2= 649, 650,
 &end
#
#   41 ASN  HB-          41 ASN  HD2-        5.50    (#   1392:15  Unique         2.26, 3.42 A)
 &rst
  ixpk= 1392, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 644, 645,
 igr2= 649, 650,
 &end
#
#   53 ASN  HA           53 ASN  HN          3.50    (#   1393:15  Unique         2.97, 3.00 A)
 &rst
  ixpk= 1393, nxpk= 15, iat= 834, 832, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  146 ARG  HN          147 GLY  HN          2.80    (#   1394:15  Unique         2.49, 2.70 A)
 &rst
  ixpk= 1394, nxpk= 15, iat=2212,2236, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  146 ARG  HA          147 GLY  HN          3.50    (#   1396:15  Unique         3.36, 3.50 A)
 &rst
  ixpk= 1396, nxpk= 15, iat=2214,2236, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  147 GLY  HA+         147 GLY  HN          2.80    (#   1397:15  Unique         2.20, 2.54 A)
 &rst
  ixpk= 1397, nxpk= 15, iat=  -1,2236, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=2238,2239,
 &end
#
#  147 GLY  HA-         147 GLY  HN          2.80    (#   1398:15  Unique         2.20, 2.54 A)
 &rst
  ixpk= 1398, nxpk= 15, iat=  -1,2236, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=2238,2239,
 &end
#
#    0 AMB  15-2:1399   147 GLY  HN          3.50    (#   1399:15  Single Ambig)
 &rst
  ixpk= 1399, nxpk= 15, iat=  -1,2236, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=2216,2217,  49,  50,
 &end
#
#    3 LEU  HG          147 GLY  HN          5.50    (#   1400:15  Unique         4.01, 4.45 A)
 &rst
  ixpk= 1400, nxpk= 15, iat=  52,2236, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  121 LEU  MDX         147 GLY  HN          4.50    (#   1401:15  Unique         3.48, 5.79 A)
 &rst
  ixpk= 1401, nxpk= 15, iat=  -1,2236, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1829,1830,1831,1833,1834,1835,
 &end
#
#  121 LEU  MDY         147 GLY  HN          5.50    (#   1402:15  Unique         3.48, 5.79 A)
 &rst
  ixpk= 1402, nxpk= 15, iat=  -1,2236, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1829,1830,1831,1833,1834,1835,
 &end
#
#   12 ILE  HN           11 SER  HN          2.80    (#   1405:15  Unique         2.71, 2.82 A)
 &rst
  ixpk= 1405, nxpk= 15, iat= 179, 168, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   11 SER  HA           11 SER  HN          3.50    (#   1406:15  Unique         2.78, 2.82 A)
 &rst
  ixpk= 1406, nxpk= 15, iat= 170, 168, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   12 ILE  HB           11 SER  HN          4.50    (#   1407:15  Unique         3.86, 4.29 A)
 &rst
  ixpk= 1407, nxpk= 15, iat= 183, 168, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   35 LYS  HB-          36 ASN  HN          4.50    (#   1412:15  Unique         3.96, 4.31 A)
 &rst
  ixpk= 1412, nxpk= 15, iat=  -1, 560, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 542, 543,
 &end
#
#   33 LEU  MDX          36 ASN  HN          5.50    (#   1413:15  Unique         4.25, 6.16 A)
 &rst
  ixpk= 1413, nxpk= 15, iat=  -1, 560, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 516, 517, 518, 520, 521, 522,
 &end
#
#   37 TYR  HN           36 ASN  HN          3.50    (#   1414:15  Unique         2.83, 2.99 A)
 &rst
  ixpk= 1414, nxpk= 15, iat= 574, 560, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   34 ASP  HN           36 ASN  HN          5.50    (#   1415:15  Unique         3.97, 4.12 A)
 &rst
  ixpk= 1415, nxpk= 15, iat= 526, 560, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   36 ASN  HD2+         36 ASN  HN          5.50    (#   1417:15  Unique         3.34, 4.58 A)
 &rst
  ixpk= 1417, nxpk= 15, iat=  -1, 560, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 569, 570,
 &end
#
#   35 LYS  HN           36 ASN  HN          3.50    (#   1418:15  Unique         2.43, 2.52 A)
 &rst
  ixpk= 1418, nxpk= 15, iat= 538, 560, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   38 ILE  HN           36 ASN  HN          4.50    (#   1419:15  Unique         4.13, 4.27 A)
 &rst
  ixpk= 1419, nxpk= 15, iat= 595, 560, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:1420    36 ASN  HN          4.50    (#   1420:15  Single Ambig)
 &rst
  ixpk= 1420, nxpk= 15, iat=  -1, 560, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 569, 570, 582, 591,
 &end
#
#   35 LYS  HA           36 ASN  HN          3.50    (#   1421:15  Unique         2.91, 3.04 A)
 &rst
  ixpk= 1421, nxpk= 15, iat= 540, 560, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   36 ASN  HA           36 ASN  HN          2.80    (#   1422:15  Unique         2.16, 2.20 A)
 &rst
  ixpk= 1422, nxpk= 15, iat= 562, 560, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   33 LEU  HA           36 ASN  HN          4.50    (#   1423:15  Unique         3.77, 3.86 A)
 &rst
  ixpk= 1423, nxpk= 15, iat= 509, 560, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:1424    36 ASN  HN          5.50    (#   1424:15  Single Ambig)
 &rst
  ixpk= 1424, nxpk= 15, iat=  -1, 560, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 578, 579, 551, 552,
 &end
#
#   36 ASN  HB+          36 ASN  HN          3.50    (#   1425:15  Unique         2.86, 3.43 A)
 &rst
  ixpk= 1425, nxpk= 15, iat=  -1, 560, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 564, 565,
 &end
#
#   35 LYS  HB+          36 ASN  HN          5.50    (#   1426:15  Unique         3.96, 4.31 A)
 &rst
  ixpk= 1426, nxpk= 15, iat=  -1, 560, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 542, 543,
 &end
#
#    0 AMB  15-2:1427    36 ASN  HN          4.50    (#   1427:15  Single Ambig)
 &rst
  ixpk= 1427, nxpk= 15, iat=  -1, 560, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 516, 517, 518, 520, 521, 522, 545, 546, 548, 549,
      
 &end
#
#   10 SER  HN           11 SER  HN          3.50    (#   1428:15  Unique         2.74, 2.95 A)
 &rst
  ixpk= 1428, nxpk= 15, iat= 157, 168, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   10 SER  HA           11 SER  HN          3.50    (#   1430:15  Unique         2.75, 3.05 A)
 &rst
  ixpk= 1430, nxpk= 15, iat= 159, 168, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    8 PRO  HG+          11 SER  HN          5.50    (#   1431:15  Unique         3.33, 5.19 A)
 &rst
  ixpk= 1431, nxpk= 15, iat=  -1, 168, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 132, 133,
 &end
#
#   12 ILE  HA           11 SER  HN          5.50    (#   1432:15  Unique         5.26, 5.36 A)
 &rst
  ixpk= 1432, nxpk= 15, iat= 181, 168, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    9 GLU  HA           11 SER  HN          3.50    (#   1433:15  Unique         2.93, 3.38 A)
 &rst
  ixpk= 1433, nxpk= 15, iat= 144, 168, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   11 SER  HB-          11 SER  HN          3.50    (#   1434:15  Unique         2.28, 3.06 A)
 &rst
  ixpk= 1434, nxpk= 15, iat=  -1, 168, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 172, 173,
 &end
#
#   37 TYR  HD           35 LYS  HN          4.50    (#   1435:15  Unique         3.09, 5.33 A)
 &rst
  ixpk= 1435, nxpk= 15, iat=  -1, 538, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 582, 591,
 &end
#
#   32 LEU  HA           35 LYS  HN          4.50    (#   1436:15  Unique         3.61, 3.80 A)
 &rst
  ixpk= 1436, nxpk= 15, iat= 490, 538, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   34 ASP  HB+          35 LYS  HN          4.50    (#   1437:15  Unique         2.70, 3.58 A)
 &rst
  ixpk= 1437, nxpk= 15, iat=  -1, 538, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 530, 531,
 &end
#
#   34 ASP  HN           35 LYS  HN          3.50    (#   1438:15  Unique         2.75, 2.87 A)
 &rst
  ixpk= 1438, nxpk= 15, iat= 526, 538, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   36 ASN  HN           35 LYS  HN          3.50    (#   1439:15  Unique         2.43, 2.52 A)
 &rst
  ixpk= 1439, nxpk= 15, iat= 560, 538, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   35 LYS  HA           35 LYS  HN          3.50    (#   1440:15  Unique         2.98, 3.00 A)
 &rst
  ixpk= 1440, nxpk= 15, iat= 540, 538, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:1441    35 LYS  HN          4.50    (#   1441:15  Single Ambig)
 &rst
  ixpk= 1441, nxpk= 15, iat=  -1, 538, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 528, 562,
 &end
#
#   34 ASP  HB-          35 LYS  HN          4.50    (#   1442:15  Unique         2.70, 3.58 A)
 &rst
  ixpk= 1442, nxpk= 15, iat=  -1, 538, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 530, 531,
 &end
#
#   35 LYS  HB+          35 LYS  HN          3.50    (#   1443:15  Unique         2.58, 3.33 A)
 &rst
  ixpk= 1443, nxpk= 15, iat=  -1, 538, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 542, 543,
 &end
#
#   35 LYS  HB-          35 LYS  HN          2.80    (#   1444:15  Unique         2.58, 3.33 A)
 &rst
  ixpk= 1444, nxpk= 15, iat=  -1, 538, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 542, 543,
 &end
#
#    0 AMB  15-2:1445    35 LYS  HN          2.80    (#   1445:15  Single Ambig)
 &rst
  ixpk= 1445, nxpk= 15, iat=  -1, 538, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 545, 546, 548, 549,
 &end
#
#    0 AMB  15-2:1446    35 LYS  HN          5.50    (#   1446:15  Single Ambig)
 &rst
  ixpk= 1446, nxpk= 15, iat=  -1, 538, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 509, 479,
 &end
#
#   37 TYR  HN           35 LYS  HN          5.50    (#   1447:15  Unique         3.19, 3.36 A)
 &rst
  ixpk= 1447, nxpk= 15, iat= 574, 538, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   49 SER  HB+          53 ASN  HD2-        5.50    (#   1448:15  Unique         2.82, 5.84 A)
 &rst
  ixpk= 1448, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 778, 779,
 igr2= 841, 842,
 &end
#
#   53 ASN  HA           53 ASN  HD2-        5.50    (#   1449:15  Unique         4.13, 4.54 A)
 &rst
  ixpk= 1449, nxpk= 15, iat= 834,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 841, 842,
 &end
#
#   49 SER  HB+          53 ASN  HD2+        5.50    (#   1452:15  Unique         2.82, 5.84 A)
 &rst
  ixpk= 1452, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 778, 779,
 igr2= 841, 842,
 &end
#
#   52 ASN  HB+          53 ASN  HD2+        4.50    (#   1453:15  Unique         4.90, 6.06 A)
 &rst
  ixpk= 1453, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 822, 823,
 igr2= 841, 842,
 &end
#
#   53 ASN  HN           53 ASN  HD2+        5.50    (#   1454:15  Unique         2.94, 4.24 A)
 &rst
  ixpk= 1454, nxpk= 15, iat= 832,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 841, 842,
 &end
#
#   53 ASN  HA           53 ASN  HD2+        5.50    (#   1457:15  Unique         4.13, 4.54 A)
 &rst
  ixpk= 1457, nxpk= 15, iat= 834,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 841, 842,
 &end
#
#   49 SER  HA           53 ASN  HD2+        5.50    (#   1459:15  Unique         3.59, 6.19 A)
 &rst
  ixpk= 1459, nxpk= 15, iat= 776,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 841, 842,
 &end
#
#   53 ASN  HB-          53 ASN  HD2+        3.50    (#   1460:15  Unique         2.19, 3.41 A)
 &rst
  ixpk= 1460, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 836, 837,
 igr2= 841, 842,
 &end
#
#   53 ASN  HN           53 ASN  HD2-        5.50    (#   1462:15  Unique         2.94, 4.24 A)
 &rst
  ixpk= 1462, nxpk= 15, iat= 832,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 841, 842,
 &end
#
#   49 SER  HA           53 ASN  HD2-        5.50    (#   1466:15  Unique         3.59, 6.19 A)
 &rst
  ixpk= 1466, nxpk= 15, iat= 776,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 841, 842,
 &end
#
#   53 ASN  HB-          53 ASN  HD2-        3.50    (#   1467:15  Unique         2.19, 3.41 A)
 &rst
  ixpk= 1467, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 836, 837,
 igr2= 841, 842,
 &end
#
#   52 ASN  HB+          53 ASN  HD2-        4.50    (#   1469:15  Unique         4.90, 6.06 A)
 &rst
  ixpk= 1469, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 822, 823,
 igr2= 841, 842,
 &end
#
#   67 HIS  HB-          67 HIS  HN          5.50    (#   1472:15  Unique         2.35, 2.99 A)
 &rst
  ixpk= 1472, nxpk= 15, iat=  -1,1035, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1039,1040,
 &end
#
#   66 PRO  HG+          67 HIS  HN          5.50    (#   1473:15  Unique         1.94, 4.11 A)
 &rst
  ixpk= 1473, nxpk= 15, iat=  -1,1035, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1025,1026,
 &end
#
#   67 HIS  HB+          67 HIS  HN          5.50    (#   1477:15  Unique         2.35, 2.99 A)
 &rst
  ixpk= 1477, nxpk= 15, iat=  -1,1035, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1039,1040,
 &end
#
#   66 PRO  HA           67 HIS  HN          3.50    (#   1478:15  Unique         3.49, 3.53 A)
 &rst
  ixpk= 1478, nxpk= 15, iat=1031,1035, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   66 PRO  HB+          67 HIS  HN          4.50    (#   1479:15  Unique         1.79, 2.93 A)
 &rst
  ixpk= 1479, nxpk= 15, iat=  -1,1035, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1028,1029,
 &end
#
#   66 PRO  HB-          67 HIS  HN          4.50    (#   1480:15  Unique         1.79, 2.93 A)
 &rst
  ixpk= 1480, nxpk= 15, iat=  -1,1035, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1028,1029,
 &end
#
#   46 ILE  QG2          67 HIS  HN          4.50    (#   1481:15  Unique         3.54, 4.82 A)
 &rst
  ixpk= 1481, nxpk= 15, iat=  -1,1035, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 727, 728, 729,
 &end
#
#   46 ILE  QD1          67 HIS  HN          4.50    (#   1482:15  Unique         2.57, 3.86 A)
 &rst
  ixpk= 1482, nxpk= 15, iat=  -1,1035, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 734, 735, 736,
 &end
#
#   46 ILE  HG1+         67 HIS  HN          5.50    (#   1483:15  Unique         4.01, 5.12 A)
 &rst
  ixpk= 1483, nxpk= 15, iat=  -1,1035, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 731, 732,
 &end
#
#  140 LEU  MDX         136 SER  HN          5.50    (#   1484:15  Unique         3.88, 6.62 A)
 &rst
  ixpk= 1484, nxpk= 15, iat=  -1,2057, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=2131,2132,2133,2135,2136,2137,
 &end
#
#   52 ASN  HN           52 ASN  HD2+        5.50    (#   1485:15  Unique         2.28, 3.27 A)
 &rst
  ixpk= 1485, nxpk= 15, iat= 818,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 827, 828,
 &end
#
#   52 ASN  HA           52 ASN  HD2+        5.50    (#   1489:15  Unique         3.18, 3.63 A)
 &rst
  ixpk= 1489, nxpk= 15, iat= 820,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 827, 828,
 &end
#
#   52 ASN  HB+          52 ASN  HD2+        2.80    (#   1490:15  Unique         2.39, 3.46 A)
 &rst
  ixpk= 1490, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 822, 823,
 igr2= 827, 828,
 &end
#
#   52 ASN  HN           52 ASN  HD2-        5.50    (#   1493:15  Unique         2.28, 3.27 A)
 &rst
  ixpk= 1493, nxpk= 15, iat= 818,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 827, 828,
 &end
#
#   52 ASN  HA           52 ASN  HD2-        5.50    (#   1498:15  Unique         3.18, 3.63 A)
 &rst
  ixpk= 1498, nxpk= 15, iat= 820,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 827, 828,
 &end
#
#   52 ASN  HB+          52 ASN  HD2-        3.50    (#   1499:15  Unique         2.39, 3.46 A)
 &rst
  ixpk= 1499, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 822, 823,
 igr2= 827, 828,
 &end
#
#  135 SER  HN          136 SER  HN          2.80    (#   1500:15  Unique         1.79, 2.41 A)
 &rst
  ixpk= 1500, nxpk= 15, iat=2046,2057, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  135 SER  HA          136 SER  HN          3.50    (#   1501:15  Unique         3.13, 3.41 A)
 &rst
  ixpk= 1501, nxpk= 15, iat=2048,2057, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:1502   136 SER  HN          3.50    (#   1502:15  Single Ambig)
 &rst
  ixpk= 1502, nxpk= 15, iat=  -1,2057, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=2061,2062,2038,
 &end
#
#  135 SER  HB+         136 SER  HN          4.50    (#   1503:15  Unique         2.95, 3.92 A)
 &rst
  ixpk= 1503, nxpk= 15, iat=  -1,2057, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=2050,2051,
 &end
#
#  135 SER  HB-         136 SER  HN          4.50    (#   1504:15  Unique         2.95, 3.92 A)
 &rst
  ixpk= 1504, nxpk= 15, iat=  -1,2057, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=2050,2051,
 &end
#
#  139 GLN  HB-         136 SER  HN          3.50    (#   1505:15  Unique         2.49, 3.84 A)
 &rst
  ixpk= 1505, nxpk= 15, iat=  -1,2057, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=2109,2110,
 &end
#
#  139 GLN  HB+         136 SER  HN          3.50    (#   1506:15  Unique         2.49, 3.84 A)
 &rst
  ixpk= 1506, nxpk= 15, iat=  -1,2057, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=2109,2110,
 &end
#
#  140 LEU  HG          136 SER  HN          5.50    (#   1507:15  Unique         4.62, 5.33 A)
 &rst
  ixpk= 1507, nxpk= 15, iat=2129,2057, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  134 ALA  MB          136 SER  HN          3.50    (#   1508:15  Unique         2.57, 3.99 A)
 &rst
  ixpk= 1508, nxpk= 15, iat=  -1,2057, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=2040,2041,2042,
 &end
#
#    0 AMB  15-2:1509   136 SER  HN          4.50    (#   1509:15  Single Ambig)
 &rst
  ixpk= 1509, nxpk= 15, iat=  -1,2057, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 215, 216, 217, 219, 220, 221,2131,2132,2133,2135,
      2136,2137,
 &end
#
#  137 GLU  HN          136 SER  HN          5.50    (#   1510:15  Unique         4.21, 4.31 A)
 &rst
  ixpk= 1510, nxpk= 15, iat=2068,2057, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  136 SER  HB-         136 SER  HN          4.50    (#   1512:15  Unique         2.67, 3.40 A)
 &rst
  ixpk= 1512, nxpk= 15, iat=  -1,2057, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=2061,2062,
 &end
#
#  139 GLN  HG+         136 SER  HN          4.50    (#   1513:15  Unique         3.31, 4.54 A)
 &rst
  ixpk= 1513, nxpk= 15, iat=  -1,2057, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=2112,2113,
 &end
#
#    0 AMB  15-2:1514   136 SER  HN          5.50    (#   1514:15  Single Ambig)
 &rst
  ixpk= 1514, nxpk= 15, iat=  -1,2057, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 213,2087,2088,
 &end
#
#   83 LEU  MDX         136 SER  HN          5.50    (#   1515:15  Unique         5.11, 7.16 A)
 &rst
  ixpk= 1515, nxpk= 15, iat=  -1,2057, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1275,1276,1277,1279,1280,1281,
 &end
#
#   51 ILE  QG2          52 ASN  HD2+        5.50    (#   1516:15  Unique         3.85, 5.20 A)
 &rst
  ixpk= 1516, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 805, 806, 807,
 igr2= 827, 828,
 &end
#
#   51 ILE  QG2          52 ASN  HD2-        5.50    (#   1528:15  Unique         3.85, 5.20 A)
 &rst
  ixpk= 1528, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 805, 806, 807,
 igr2= 827, 828,
 &end
#
#   63 VAL  HN           62 GLY  HN          3.50    (#   1531:15  Unique         2.44, 2.64 A)
 &rst
  ixpk= 1531, nxpk= 15, iat= 978, 971, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   98 LYS  HN           62 GLY  HN          5.50    (#   1532:15  Unique         5.03, 5.30 A)
 &rst
  ixpk= 1532, nxpk= 15, iat=1495, 971, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   62 GLY  HA+          62 GLY  HN          2.80    (#   1533:15  Unique         2.27, 2.64 A)
 &rst
  ixpk= 1533, nxpk= 15, iat=  -1, 971, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 973, 974,
 &end
#
#   61 PRO  HA           62 GLY  HN          2.80    (#   1534:15  Unique         2.15, 2.19 A)
 &rst
  ixpk= 1534, nxpk= 15, iat= 967, 971, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:1535    62 GLY  HN          4.50    (#   1535:15  Single Ambig)
 &rst
  ixpk= 1535, nxpk= 15, iat=  -1, 971, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1478,1463,1464,
 &end
#
#    0 AMB  15-2:1536    62 GLY  HN          3.50    (#   1536:15  Single Ambig)
 &rst
  ixpk= 1536, nxpk= 15, iat=  -1, 971, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 964, 965, 961, 962,
 &end
#
#    0 AMB  15-2:1537    62 GLY  HN          4.50    (#   1537:15  Single Ambig)
 &rst
  ixpk= 1537, nxpk= 15, iat=  -1, 971, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1= 964, 965, 982, 961, 962,
 &end
#
#    0 AMB  15-2:1538    62 GLY  HN          4.50    (#   1538:15  Single Ambig)
 &rst
  ixpk= 1538, nxpk= 15, iat=  -1, 971, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1= 915, 916, 917,1486,1487,
 &end
#
#   97 ILE  QD1          62 GLY  HN          3.50    (#   1539:15  Unique         2.25, 3.01 A)
 &rst
  ixpk= 1539, nxpk= 15, iat=  -1, 971, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1489,1490,1491,
 &end
#
#    0 AMB  15-2:1540    62 GLY  HN          4.50    (#   1540:15  Single Ambig)
 &rst
  ixpk= 1540, nxpk= 15, iat=  -1, 971, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1451,1452,1451,1452,
 &end
#
#    0 AMB  15-2:1541    62 GLY  HN          5.50    (#   1541:15  Single Ambig)
 &rst
  ixpk= 1541, nxpk= 15, iat=  -1, 971, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 984, 985, 986, 988, 989, 990,2012,2013,2014,2016,
      2017,2018,
 &end
#
#  122 LEU  HB-         123 CYS  HN          4.50    (#   1542:15  Unique         2.99, 3.81 A)
 &rst
  ixpk= 1542, nxpk= 15, iat=  -1,1858, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1843,1844,
 &end
#
#  122 LEU  MDX         123 CYS  HN          5.50    (#   1543:15  Unique         4.81, 6.06 A)
 &rst
  ixpk= 1543, nxpk= 15, iat=  -1,1858, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1848,1849,1850,1852,1853,1854,
 &end
#
#  123 CYS  HN          122 LEU  HN          3.50    (#   1546:15  Unique         2.84, 2.90 A)
 &rst
  ixpk= 1546, nxpk= 15, iat=1858,1839, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  121 LEU  HN          122 LEU  HN          2.80    (#   1547:15  Unique         2.43, 2.52 A)
 &rst
  ixpk= 1547, nxpk= 15, iat=1820,1839, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  122 LEU  HG          122 LEU  HN          4.50    (#   1548:15  Unique         2.20, 2.55 A)
 &rst
  ixpk= 1548, nxpk= 15, iat=1846,1839, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  122 LEU  HN          123 CYS  HN          3.50    (#   1549:15  Unique         2.84, 2.90 A)
 &rst
  ixpk= 1549, nxpk= 15, iat=1839,1858, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:1550   123 CYS  HN          2.80    (#   1550:15  Single Ambig)
 &rst
  ixpk= 1550, nxpk= 15, iat=  -1,1858, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1869,1820,
 &end
#
#  123 CYS  HA          123 CYS  HN          3.50    (#   1551:15  Unique         2.97, 2.97 A)
 &rst
  ixpk= 1551, nxpk= 15, iat=1860,1858, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  119 SER  HA          123 CYS  HN          3.50    (#   1552:15  Unique         2.81, 3.17 A)
 &rst
  ixpk= 1552, nxpk= 15, iat=1796,1858, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  122 LEU  HA          123 CYS  HN          3.50    (#   1553:15  Unique         3.28, 3.43 A)
 &rst
  ixpk= 1553, nxpk= 15, iat=1841,1858, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  123 CYS  HB+         123 CYS  HN          2.80    (#   1554:15  Unique         2.59, 3.26 A)
 &rst
  ixpk= 1554, nxpk= 15, iat=  -1,1858, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1862,1863,
 &end
#
#  124 GLU  HB+         123 CYS  HN          4.50    (#   1555:15  Unique         3.60, 4.43 A)
 &rst
  ixpk= 1555, nxpk= 15, iat=  -1,1858, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1873,1874,
 &end
#
#  122 LEU  HB+         123 CYS  HN          3.50    (#   1556:15  Unique         2.99, 3.81 A)
 &rst
  ixpk= 1556, nxpk= 15, iat=  -1,1858, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1843,1844,
 &end
#
#    0 AMB  15-2:1557   123 CYS  HN          5.50    (#   1557:15  Single Ambig)
 &rst
  ixpk= 1557, nxpk= 15, iat=  -1,1858, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=1942,1943,1944,1946,1947,1948,1942,1943,1944,1946,
      1947,1948, 937, 938, 939, 941, 942, 943,
 &end
#
#    0 AMB  15-2:1558   123 CYS  HN          5.50    (#   1558:15  Single Ambig)
 &rst
  ixpk= 1558, nxpk= 15, iat=  -1,1858, r1= 0.00, r2= 1.80, r3= 8.07, r4= 8.82,
 igr1=1846,1829,1830,1831,1833,1834,1835,1568,1569,1570,
      
 &end
#
#  120 GLU  HN          122 LEU  HN          4.50    (#   1560:15  Unique         4.35, 4.51 A)
 &rst
  ixpk= 1560, nxpk= 15, iat=1805,1839, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  121 LEU  HA          122 LEU  HN          4.50    (#   1561:15  Unique         3.61, 3.65 A)
 &rst
  ixpk= 1561, nxpk= 15, iat=1822,1839, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:1562   122 LEU  HN          3.50    (#   1562:15  Single Ambig)
 &rst
  ixpk= 1562, nxpk= 15, iat=  -1,1839, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1796,1777,
 &end
#
#  122 LEU  HA          122 LEU  HN          3.50    (#   1563:15  Unique         2.80, 2.87 A)
 &rst
  ixpk= 1563, nxpk= 15, iat=1841,1839, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:1564   122 LEU  HN          5.50    (#   1564:15  Single Ambig)
 &rst
  ixpk= 1564, nxpk= 15, iat=  -1,1839, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1873,1874,1809,1810,
 &end
#
#    0 AMB  15-2:1565   122 LEU  HN          5.50    (#   1565:15  Single Ambig)
 &rst
  ixpk= 1565, nxpk= 15, iat=  -1,1839, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1559,1991,
 &end
#
#  122 LEU  HB+         122 LEU  HN          2.80    (#   1566:15  Unique         2.26, 3.04 A)
 &rst
  ixpk= 1566, nxpk= 15, iat=  -1,1839, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1843,1844,
 &end
#
#  122 LEU  HB-         122 LEU  HN          2.80    (#   1567:15  Unique         2.26, 3.04 A)
 &rst
  ixpk= 1567, nxpk= 15, iat=  -1,1839, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1843,1844,
 &end
#
#  122 LEU  MDX         122 LEU  HN          3.50    (#   1568:15  Unique         2.07, 4.20 A)
 &rst
  ixpk= 1568, nxpk= 15, iat=  -1,1839, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1848,1849,1850,1852,1853,1854,
 &end
#
#  116 GLN  HB-         116 GLN  HE2+        5.50    (#   1582:15  Unique         2.58, 4.35 A)
 &rst
  ixpk= 1582, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1752,1753,
 igr2=1760,1761,
 &end
#
#  116 GLN  HG+         116 GLN  HE2+        3.50    (#   1589:15  Unique         2.25, 3.29 A)
 &rst
  ixpk= 1589, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1755,1756,
 igr2=1760,1761,
 &end
#
#  116 GLN  HG-         116 GLN  HE2+        4.50    (#   1590:15  Unique         2.25, 3.29 A)
 &rst
  ixpk= 1590, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1755,1756,
 igr2=1760,1761,
 &end
#
#  112 ILE  QG2         116 GLN  HE2+        5.50    (#   1591:15  Unique         2.29, 5.09 A)
 &rst
  ixpk= 1591, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1699,1700,1701,
 igr2=1760,1761,
 &end
#
#   36 ASN  HN           36 ASN  HD2+        5.50    (#   1592:15  Unique         3.34, 4.58 A)
 &rst
  ixpk= 1592, nxpk= 15, iat= 560,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 569, 570,
 &end
#
#   76 LYS  HE-          36 ASN  HD2+        4.50    (#   1598:15  Unique         2.36, 4.49 A)
 &rst
  ixpk= 1598, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1175,1176,
 igr2= 569, 570,
 &end
#
#   76 LYS  HE-          36 ASN  HD2-        4.50    (#   1604:15  Unique         2.36, 4.49 A)
 &rst
  ixpk= 1604, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1175,1176,
 igr2= 569, 570,
 &end
#
#  116 GLN  HG+         116 GLN  HE2-        4.50    (#   1613:15  Unique         2.25, 3.29 A)
 &rst
  ixpk= 1613, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1755,1756,
 igr2=1760,1761,
 &end
#
#  116 GLN  HG-         116 GLN  HE2-        5.50    (#   1614:15  Unique         2.25, 3.29 A)
 &rst
  ixpk= 1614, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1755,1756,
 igr2=1760,1761,
 &end
#
#  112 ILE  QG2         116 GLN  HE2-        5.50    (#   1615:15  Unique         2.29, 5.09 A)
 &rst
  ixpk= 1615, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1699,1700,1701,
 igr2=1760,1761,
 &end
#
#  131 LEU  HN          132 LEU  HN          3.50    (#   1616:15  Unique         2.53, 2.62 A)
 &rst
  ixpk= 1616, nxpk= 15, iat=1984,2003, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  133 THR  HN          132 LEU  HN          3.50    (#   1618:15  Unique         2.90, 2.98 A)
 &rst
  ixpk= 1618, nxpk= 15, iat=2022,2003, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  134 ALA  HN          132 LEU  HN          5.50    (#   1619:15  Unique         4.17, 4.30 A)
 &rst
  ixpk= 1619, nxpk= 15, iat=2036,2003, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  132 LEU  HA          132 LEU  HN          3.50    (#   1620:15  Unique         2.78, 2.82 A)
 &rst
  ixpk= 1620, nxpk= 15, iat=2005,2003, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:1621   132 LEU  HN          4.50    (#   1621:15  Single Ambig)
 &rst
  ixpk= 1621, nxpk= 15, iat=  -1,2003, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1986,1969,
 &end
#
#  131 LEU  HB+         132 LEU  HN          3.50    (#   1622:15  Unique         2.14, 2.78 A)
 &rst
  ixpk= 1622, nxpk= 15, iat=  -1,2003, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1988,1989,
 &end
#
#  132 LEU  HB-         132 LEU  HN          2.80    (#   1623:15  Unique         2.41, 3.03 A)
 &rst
  ixpk= 1623, nxpk= 15, iat=  -1,2003, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=2007,2008,
 &end
#
#  132 LEU  HG          132 LEU  HN          2.80    (#   1624:15  Unique         2.30, 2.44 A)
 &rst
  ixpk= 1624, nxpk= 15, iat=2010,2003, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  132 LEU  HB+         132 LEU  HN          3.50    (#   1625:15  Unique         2.41, 3.03 A)
 &rst
  ixpk= 1625, nxpk= 15, iat=  -1,2003, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=2007,2008,
 &end
#
#  131 LEU  HB-         132 LEU  HN          3.50    (#   1626:15  Unique         2.14, 2.78 A)
 &rst
  ixpk= 1626, nxpk= 15, iat=  -1,2003, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1988,1989,
 &end
#
#    0 AMB  15-2:1627   132 LEU  HN          2.80    (#   1627:15  Single Ambig)
 &rst
  ixpk= 1627, nxpk= 15, iat=  -1,2003, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1526,1527,1528,1530,1531,1532,2012,2013,2014,2016,
      2017,2018,2012,2013,2014,2016,2017,2018,
 &end
#
#  130 GLN  HN          132 LEU  HN          5.50    (#   1628:15  Unique         3.99, 4.07 A)
 &rst
  ixpk= 1628, nxpk= 15, iat=1967,2003, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   35 LYS  HA           36 ASN  HD2+        5.50    (#   1630:15  Unique         3.43, 4.81 A)
 &rst
  ixpk= 1630, nxpk= 15, iat= 540,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 569, 570,
 &end
#
#   36 ASN  HA           36 ASN  HD2+        3.50    (#   1631:15  Unique         2.17, 4.45 A)
 &rst
  ixpk= 1631, nxpk= 15, iat= 562,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 569, 570,
 &end
#
#   36 ASN  HA           36 ASN  HD2-        4.50    (#   1633:15  Unique         2.17, 4.45 A)
 &rst
  ixpk= 1633, nxpk= 15, iat= 562,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 569, 570,
 &end
#
#   36 ASN  HB-          36 ASN  HD2-        4.50    (#   1634:15  Unique         2.23, 3.46 A)
 &rst
  ixpk= 1634, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 564, 565,
 igr2= 569, 570,
 &end
#
#    0 AMB  15-2:1635   102 GLY  HN          4.50    (#   1635:15  Single Ambig)
 &rst
  ixpk= 1635, nxpk= 15, iat=  -1,1574, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1=1559,1540,1541,1237,1238,
 &end
#
#   80 SER  HN          102 GLY  HN          3.50    (#   1636:15  Unique         2.60, 2.79 A)
 &rst
  ixpk= 1636, nxpk= 15, iat=1222,1574, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   81 LEU  HA          102 GLY  HN          3.50    (#   1638:15  Unique         3.27, 3.46 A)
 &rst
  ixpk= 1638, nxpk= 15, iat=1235,1574, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  101 ILE  HA          102 GLY  HN          2.80    (#   1639:15  Unique         2.03, 2.09 A)
 &rst
  ixpk= 1639, nxpk= 15, iat=1557,1574, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  102 GLY  HA-         102 GLY  HN          3.50    (#   1641:15  Unique         2.33, 2.68 A)
 &rst
  ixpk= 1641, nxpk= 15, iat=  -1,1574, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1576,1577,
 &end
#
#  102 GLY  HA+         102 GLY  HN          4.50    (#   1642:15  Unique         2.33, 2.68 A)
 &rst
  ixpk= 1642, nxpk= 15, iat=  -1,1574, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1576,1577,
 &end
#
#    0 AMB  15-2:1643   102 GLY  HN          5.50    (#   1643:15  Single Ambig)
 &rst
  ixpk= 1643, nxpk= 15, iat=  -1,1574, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1= 455, 456, 457,1025,1026,
 &end
#
#    0 AMB  15-2:1644   102 GLY  HN          4.50    (#   1644:15  Single Ambig)
 &rst
  ixpk= 1644, nxpk= 15, iat=  -1,1574, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1209,1210,1028,1029,
 &end
#
#  101 ILE  QG2         102 GLY  HN          3.50    (#   1645:15  Unique         2.63, 3.73 A)
 &rst
  ixpk= 1645, nxpk= 15, iat=  -1,1574, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1561,1562,1563,
 &end
#
#    0 AMB  15-2:1646   102 GLY  HN          4.50    (#   1646:15  Single Ambig)
 &rst
  ixpk= 1646, nxpk= 15, iat=  -1,1574, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1=1242,1243,1244,1246,1247,1248,1568,1569,1570,
 &end
#
#  129 GLU  HN          132 LEU  HN          4.50    (#   1647:15  Unique         4.61, 4.63 A)
 &rst
  ixpk= 1647, nxpk= 15, iat=1952,2003, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   83 LEU  MDY         132 LEU  HN          5.50    (#   1648:15  Unique         4.44, 5.99 A)
 &rst
  ixpk= 1648, nxpk= 15, iat=  -1,2003, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1275,1276,1277,1279,1280,1281,
 &end
#
#  131 LEU  MDX         132 LEU  HN          3.50    (#   1649:15  Unique         4.03, 5.29 A)
 &rst
  ixpk= 1649, nxpk= 15, iat=  -1,2003, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1993,1994,1995,1997,1998,1999,
 &end
#
#    0 AMB  15-2:1650   132 LEU  HN          5.50    (#   1650:15  Single Ambig)
 &rst
  ixpk= 1650, nxpk= 15, iat=  -1,2003, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2024,2026,
 &end
#
#   36 ASN  HB-          36 ASN  HD2+        4.50    (#   1651:15  Unique         2.23, 3.46 A)
 &rst
  ixpk= 1651, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 564, 565,
 igr2= 569, 570,
 &end
#
#   19 LYS  HN           20 ASP  HN          3.50    (#   1653:15  Unique         2.56, 2.74 A)
 &rst
  ixpk= 1653, nxpk= 15, iat= 282, 304, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   23 GLU  HN           20 ASP  HN          4.50    (#   1654:15  Unique         2.98, 3.21 A)
 &rst
  ixpk= 1654, nxpk= 15, iat= 357, 304, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   18 ALA  HA           20 ASP  HN          5.50    (#   1655:15  Unique         4.09, 4.32 A)
 &rst
  ixpk= 1655, nxpk= 15, iat= 274, 304, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   20 ASP  HA           20 ASP  HN          3.50    (#   1656:15  Unique         2.81, 2.85 A)
 &rst
  ixpk= 1656, nxpk= 15, iat= 306, 304, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:1657    20 ASP  HN          4.50    (#   1657:15  Single Ambig)
 &rst
  ixpk= 1657, nxpk= 15, iat=  -1, 304, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 284, 374,
 &end
#
#   20 ASP  HB-          20 ASP  HN          4.50    (#   1658:15  Unique         3.03, 3.44 A)
 &rst
  ixpk= 1658, nxpk= 15, iat=  -1, 304, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 308, 309,
 &end
#
#   23 GLU  HB+          20 ASP  HN          2.80    (#   1659:15  Unique         1.91, 2.41 A)
 &rst
  ixpk= 1659, nxpk= 15, iat=  -1, 304, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 361, 362,
 &end
#
#   19 LYS  HB+          20 ASP  HN          3.50    (#   1660:15  Unique         2.53, 3.30 A)
 &rst
  ixpk= 1660, nxpk= 15, iat=  -1, 304, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 286, 287,
 &end
#
#   19 LYS  HG-          20 ASP  HN          4.50    (#   1661:15  Unique         3.92, 4.70 A)
 &rst
  ixpk= 1661, nxpk= 15, iat=  -1, 304, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 289, 290,
 &end
#
#   18 ALA  MB           20 ASP  HN          3.50    (#   1662:15  Unique         2.61, 3.60 A)
 &rst
  ixpk= 1662, nxpk= 15, iat=  -1, 304, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 276, 277, 278,
 &end
#
#   88 VAL  MGY          20 ASP  HN          4.50    (#   1663:15  Unique         3.17, 5.08 A)
 &rst
  ixpk= 1663, nxpk= 15, iat=  -1, 304, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1349,1350,1351,1353,1354,1355,
 &end
#
#   21 TRP  HN           20 ASP  HN          5.50    (#   1667:15  Unique         4.25, 4.29 A)
 &rst
  ixpk= 1667, nxpk= 15, iat= 316, 304, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   24 ALA  HN           20 ASP  HN          4.50    (#   1668:15  Unique         3.27, 3.38 A)
 &rst
  ixpk= 1668, nxpk= 15, iat= 372, 304, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   20 ASP  HB+          20 ASP  HN          4.50    (#   1670:15  Unique         3.03, 3.44 A)
 &rst
  ixpk= 1670, nxpk= 15, iat=  -1, 304, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 308, 309,
 &end
#
#  106 ALA  HN          107 ASP  HN          3.50    (#   1671:15  Unique         2.44, 2.52 A)
 &rst
  ixpk= 1671, nxpk= 15, iat=1621,1631, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  107 ASP  HA          107 ASP  HN          3.50    (#   1672:15  Unique         2.96, 2.97 A)
 &rst
  ixpk= 1672, nxpk= 15, iat=1633,1631, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:1673   107 ASP  HN          5.50    (#   1673:15  Single Ambig)
 &rst
  ixpk= 1673, nxpk= 15, iat=  -1,1631, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1667,1164,
 &end
#
#  110 SER  HB+         107 ASP  HN          2.80    (#   1674:15  Unique         2.12, 2.99 A)
 &rst
  ixpk= 1674, nxpk= 15, iat=  -1,1631, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1669,1670,
 &end
#
#  107 ASP  HB+         107 ASP  HN          4.50    (#   1675:15  Unique         2.76, 3.05 A)
 &rst
  ixpk= 1675, nxpk= 15, iat=  -1,1631, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1635,1636,
 &end
#
#  107 ASP  HB-         107 ASP  HN          4.50    (#   1676:15  Unique         2.76, 3.05 A)
 &rst
  ixpk= 1676, nxpk= 15, iat=  -1,1631, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1635,1636,
 &end
#
#  105 ALA  MB          107 ASP  HN          3.50    (#   1677:15  Unique         2.61, 3.65 A)
 &rst
  ixpk= 1677, nxpk= 15, iat=  -1,1631, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1615,1616,1617,
 &end
#
#  106 ALA  MB          107 ASP  HN          3.50    (#   1678:15  Unique         3.10, 3.88 A)
 &rst
  ixpk= 1678, nxpk= 15, iat=  -1,1631, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1625,1626,1627,
 &end
#
#  110 SER  HN          107 ASP  HN          5.50    (#   1679:15  Unique         3.71, 3.81 A)
 &rst
  ixpk= 1679, nxpk= 15, iat=1665,1631, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  108 ALA  HN          107 ASP  HN          5.50    (#   1680:15  Unique         4.40, 4.43 A)
 &rst
  ixpk= 1680, nxpk= 15, iat=1643,1631, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   77 THR  HB          107 ASP  HN          5.50    (#   1681:15  Unique         5.62, 5.64 A)
 &rst
  ixpk= 1681, nxpk= 15, iat=1188,1631, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  106 ALA  HA          107 ASP  HN          4.50    (#   1682:15  Unique         3.45, 3.48 A)
 &rst
  ixpk= 1682, nxpk= 15, iat=1623,1631, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  111 HIS  HN          107 ASP  HN          5.50    (#   1684:15  Unique         3.76, 3.83 A)
 &rst
  ixpk= 1684, nxpk= 15, iat=1676,1631, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  105 ALA  HA          107 ASP  HN          4.50    (#   1685:15  Unique         3.70, 3.78 A)
 &rst
  ixpk= 1685, nxpk= 15, iat=1613,1631, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   70 PRO  HG-         107 ASP  HN          5.50    (#   1686:15  Unique         3.98, 4.30 A)
 &rst
  ixpk= 1686, nxpk= 15, iat=  -1,1631, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1090,1091,
 &end
#
#  108 ALA  HA          107 ASP  HN          5.50    (#   1687:15  Unique         4.87, 4.95 A)
 &rst
  ixpk= 1687, nxpk= 15, iat=1645,1631, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   70 PRO  HB+         107 ASP  HN          5.50    (#   1688:15  Unique         3.86, 4.66 A)
 &rst
  ixpk= 1688, nxpk= 15, iat=  -1,1631, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1093,1094,
 &end
#
#  130 GLN  HN          130 GLN  HE2+        5.50    (#   1689:15  Unique         3.36, 4.32 A)
 &rst
  ixpk= 1689, nxpk= 15, iat=1967,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1979,1980,
 &end
#
#    0 AMB  15-2:1690   130 GLN  HE2-        4.50    (#   1690:15  Single Ambig)
 &rst
  ixpk= 1690, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1971,1972,1903,1904,
 igr2=1979,1980,
 &end
#
#  127 ILE  HA          130 GLN  HE2+        4.50    (#   1694:15  Unique         2.53, 3.12 A)
 &rst
  ixpk= 1694, nxpk= 15, iat=1916,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1979,1980,
 &end
#
#  130 GLN  HG+         130 GLN  HE2+        3.50    (#   1695:15  Unique         2.19, 3.34 A)
 &rst
  ixpk= 1695, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1974,1975,
 igr2=1979,1980,
 &end
#
#    0 AMB  15-2:1696     0 AMB  15-1:1696   3.50    (#   1696:15  Double Ambig)
 &rst
  ixpk= 1696, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1=1974,1975,1971,1972,
 igr2=1979,1980,1979,1980,
 &end
#
#    0 AMB  15-2:1697     0 AMB  15-1:1697   4.50    (#   1697:15  Double Ambig)
 &rst
  ixpk= 1697, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1=1971,1972,1903,1904,
 igr2=1979,1980,1979,1980,
 &end
#
#  127 ILE  QD1         130 GLN  HE2+        4.50    (#   1698:15  Unique         2.40, 4.06 A)
 &rst
  ixpk= 1698, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1927,1928,1929,
 igr2=1979,1980,
 &end
#
#  127 ILE  HA          130 GLN  HE2-        5.50    (#   1704:15  Unique         2.53, 3.12 A)
 &rst
  ixpk= 1704, nxpk= 15, iat=1916,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1979,1980,
 &end
#
#  130 GLN  HG+         130 GLN  HE2-        4.50    (#   1705:15  Unique         2.19, 3.34 A)
 &rst
  ixpk= 1705, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1974,1975,
 igr2=1979,1980,
 &end
#
#    0 AMB  15-2:1706   130 GLN  HE2-        4.50    (#   1706:15  Single Ambig)
 &rst
  ixpk= 1706, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1974,1975,1971,1972,
 igr2=1979,1980,
 &end
#
#  127 ILE  QD1         130 GLN  HE2-        4.50    (#   1707:15  Unique         2.40, 4.06 A)
 &rst
  ixpk= 1707, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1927,1928,1929,
 igr2=1979,1980,
 &end
#
#   98 LYS  HG-          87 GLY  HN          4.50    (#   1708:15  Unique         2.31, 3.91 A)
 &rst
  ixpk= 1708, nxpk= 15, iat=  -1,1336, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1502,1503,
 &end
#
#    0 AMB  15-2:1709    80 SER  HN          5.50    (#   1709:15  Single Ambig)
 &rst
  ixpk= 1709, nxpk= 15, iat=  -1,1222, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1233,1600,
 &end
#
#   79 MET  HN           80 SER  HN          5.50    (#   1710:15  Unique         4.37, 4.43 A)
 &rst
  ixpk= 1710, nxpk= 15, iat=1205,1222, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   79 MET  HA           80 SER  HN          2.80    (#   1712:15  Unique         2.41, 2.47 A)
 &rst
  ixpk= 1712, nxpk= 15, iat=1207,1222, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   79 MET  HG-          80 SER  HN          4.50    (#   1713:15  Unique         3.64, 4.29 A)
 &rst
  ixpk= 1713, nxpk= 15, iat=  -1,1222, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1212,1213,
 &end
#
#   79 MET  HB-          80 SER  HN          4.50    (#   1714:15  Unique         2.27, 3.03 A)
 &rst
  ixpk= 1714, nxpk= 15, iat=  -1,1222, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1209,1210,
 &end
#
#   86 GLN  HN           87 GLY  HN          5.50    (#   1715:15  Unique         2.04, 2.92 A)
 &rst
  ixpk= 1715, nxpk= 15, iat=1319,1336, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   86 GLN  HA           87 GLY  HN          3.50    (#   1717:15  Unique         2.18, 2.67 A)
 &rst
  ixpk= 1717, nxpk= 15, iat=1321,1336, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   87 GLY  HA+          87 GLY  HN          5.50    (#   1718:15  Unique         2.20, 2.51 A)
 &rst
  ixpk= 1718, nxpk= 15, iat=  -1,1336, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1338,1339,
 &end
#
#   87 GLY  HA-          87 GLY  HN          4.50    (#   1719:15  Unique         2.20, 2.51 A)
 &rst
  ixpk= 1719, nxpk= 15, iat=  -1,1336, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1338,1339,
 &end
#
#    0 AMB  15-2:1720    87 GLY  HN          4.50    (#   1720:15  Single Ambig)
 &rst
  ixpk= 1720, nxpk= 15, iat=  -1,1336, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1326,1327,1480,
 &end
#
#   86 GLN  HB-          87 GLY  HN          4.50    (#   1721:15  Unique         3.32, 4.17 A)
 &rst
  ixpk= 1721, nxpk= 15, iat=  -1,1336, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1323,1324,
 &end
#
#    0 AMB  15-2:1722    87 GLY  HN          4.50    (#   1722:15  Single Ambig)
 &rst
  ixpk= 1722, nxpk= 15, iat=  -1,1336, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1505,1506,1323,1324,
 &end
#
#  102 GLY  HN           80 SER  HN          3.50    (#   1724:15  Unique         2.60, 2.79 A)
 &rst
  ixpk= 1724, nxpk= 15, iat=1574,1222, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  101 ILE  HA           80 SER  HN          4.50    (#   1725:15  Unique         4.15, 4.28 A)
 &rst
  ixpk= 1725, nxpk= 15, iat=1557,1222, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  103 LEU  HA           80 SER  HN          4.50    (#   1726:15  Unique         3.77, 3.87 A)
 &rst
  ixpk= 1726, nxpk= 15, iat=1583,1222, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   80 SER  HA           80 SER  HN          4.50    (#   1727:15  Unique         2.87, 2.92 A)
 &rst
  ixpk= 1727, nxpk= 15, iat=1224,1222, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   79 MET  HG+          80 SER  HN          4.50    (#   1728:15  Unique         3.64, 4.29 A)
 &rst
  ixpk= 1728, nxpk= 15, iat=  -1,1222, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1212,1213,
 &end
#
#   79 MET  HB+          80 SER  HN          3.50    (#   1729:15  Unique         2.27, 3.03 A)
 &rst
  ixpk= 1729, nxpk= 15, iat=  -1,1222, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1209,1210,
 &end
#
#  101 ILE  QG2          80 SER  HN          4.50    (#   1730:15  Unique         3.11, 4.33 A)
 &rst
  ixpk= 1730, nxpk= 15, iat=  -1,1222, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1561,1562,1563,
 &end
#
#   32 LEU  MDX          80 SER  HN          4.50    (#   1731:15  Unique         3.33, 4.97 A)
 &rst
  ixpk= 1731, nxpk= 15, iat=  -1,1222, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 497, 498, 499, 501, 502, 503,
 &end
#
#   80 SER  HB-          80 SER  HN          5.50    (#   1732:15  Unique         2.83, 3.54 A)
 &rst
  ixpk= 1732, nxpk= 15, iat=  -1,1222, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1226,1227,
 &end
#
#   53 ASN  HA           54 GLY  HN          4.50    (#   1735:15  Unique         3.44, 3.52 A)
 &rst
  ixpk= 1735, nxpk= 15, iat= 834, 846, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   54 GLY  HA+          54 GLY  HN          4.50    (#   1736:15  Unique         2.33, 2.70 A)
 &rst
  ixpk= 1736, nxpk= 15, iat=  -1, 846, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 848, 849,
 &end
#
#    0 AMB  15-2:1737    54 GLY  HN          5.50    (#   1737:15  Single Ambig)
 &rst
  ixpk= 1737, nxpk= 15, iat=  -1, 846, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 801, 863,
 &end
#
#   55 PRO  HD-          54 GLY  HN          4.50    (#   1738:15  Unique         4.50, 4.89 A)
 &rst
  ixpk= 1738, nxpk= 15, iat=  -1, 846, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 854, 855,
 &end
#
#   53 ASN  HB-          54 GLY  HN          3.50    (#   1739:15  Unique         2.54, 3.83 A)
 &rst
  ixpk= 1739, nxpk= 15, iat=  -1, 846, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 836, 837,
 &end
#
#   50 THR  MG2          54 GLY  HN          5.50    (#   1740:15  Unique         3.99, 5.13 A)
 &rst
  ixpk= 1740, nxpk= 15, iat=  -1, 846, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 791, 792, 793,
 &end
#
#   53 ASN  HN           54 GLY  HN          2.80    (#   1741:15  Unique         1.85, 1.93 A)
 &rst
  ixpk= 1741, nxpk= 15, iat= 832, 846, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   52 ASN  HN           54 GLY  HN          4.50    (#   1742:15  Unique         3.91, 4.02 A)
 &rst
  ixpk= 1742, nxpk= 15, iat= 818, 846, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   54 GLY  HA-          54 GLY  HN          2.80    (#   1743:15  Unique         2.33, 2.70 A)
 &rst
  ixpk= 1743, nxpk= 15, iat=  -1, 846, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 848, 849,
 &end
#
#   55 PRO  HD+          54 GLY  HN          4.50    (#   1744:15  Unique         4.50, 4.89 A)
 &rst
  ixpk= 1744, nxpk= 15, iat=  -1, 846, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 854, 855,
 &end
#
#  135 SER  HB+         135 SER  HN          3.50    (#   1746:15  Unique         2.42, 3.13 A)
 &rst
  ixpk= 1746, nxpk= 15, iat=  -1,2046, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=2050,2051,
 &end
#
#  135 SER  HB-         135 SER  HN          3.50    (#   1747:15  Unique         2.42, 3.13 A)
 &rst
  ixpk= 1747, nxpk= 15, iat=  -1,2046, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=2050,2051,
 &end
#
#  139 GLN  HG+         135 SER  HN          5.50    (#   1748:15  Unique         2.59, 4.31 A)
 &rst
  ixpk= 1748, nxpk= 15, iat=  -1,2046, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2112,2113,
 &end
#
#  139 GLN  HB-         135 SER  HN          4.50    (#   1749:15  Unique         3.29, 4.21 A)
 &rst
  ixpk= 1749, nxpk= 15, iat=  -1,2046, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=2109,2110,
 &end
#
#   52 ASN  HB+          54 GLY  HN          5.50    (#   1750:15  Unique         3.99, 4.79 A)
 &rst
  ixpk= 1750, nxpk= 15, iat=  -1, 846, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 822, 823,
 &end
#
#  136 SER  HN          135 SER  HN          2.80    (#   1751:15  Unique         1.79, 2.41 A)
 &rst
  ixpk= 1751, nxpk= 15, iat=2057,2046, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  134 ALA  HN          135 SER  HN          4.50    (#   1752:15  Unique         3.78, 4.38 A)
 &rst
  ixpk= 1752, nxpk= 15, iat=2036,2046, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  135 SER  HA          135 SER  HN          3.50    (#   1753:15  Unique         2.80, 2.91 A)
 &rst
  ixpk= 1753, nxpk= 15, iat=2048,2046, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  134 ALA  HA          135 SER  HN          2.80    (#   1754:15  Unique         2.14, 2.19 A)
 &rst
  ixpk= 1754, nxpk= 15, iat=2038,2046, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  139 GLN  HB+         135 SER  HN          4.50    (#   1755:15  Unique         3.29, 4.21 A)
 &rst
  ixpk= 1755, nxpk= 15, iat=  -1,2046, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=2109,2110,
 &end
#
#  134 ALA  MB          135 SER  HN          3.50    (#   1756:15  Unique         2.85, 4.05 A)
 &rst
  ixpk= 1756, nxpk= 15, iat=  -1,2046, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=2040,2041,2042,
 &end
#
#    3 LEU  HN            4 SER  HN          3.50    (#   1759:15  Unique         2.56, 2.87 A)
 &rst
  ixpk= 1759, nxpk= 15, iat=  45,  64, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    6 TYR  HN            4 SER  HN          5.50    (#   1760:15  Unique         4.33, 4.52 A)
 &rst
  ixpk= 1760, nxpk= 15, iat=  87,  64, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    5 ASP  HN            4 SER  HN          3.50    (#   1761:15  Unique         2.79, 2.99 A)
 &rst
  ixpk= 1761, nxpk= 15, iat=  75,  64, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    2 ARG  HA            4 SER  HN          4.50    (#   1762:15  Unique         3.55, 3.83 A)
 &rst
  ixpk= 1762, nxpk= 15, iat=  23,  64, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    3 LEU  HA            4 SER  HN          4.50    (#   1763:15  Unique         3.49, 3.57 A)
 &rst
  ixpk= 1763, nxpk= 15, iat=  47,  64, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:1764     4 SER  HN          3.50    (#   1764:15  Single Ambig)
 &rst
  ixpk= 1764, nxpk= 15, iat=  -1,  64, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=  68,  69,  66,
 &end
#
#    4 SER  HB+           4 SER  HN          3.50    (#   1765:15  Unique         2.60, 3.11 A)
 &rst
  ixpk= 1765, nxpk= 15, iat=  -1,  64, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=  68,  69,
 &end
#
#    0 AMB  15-2:1766     4 SER  HN          3.50    (#   1766:15  Single Ambig)
 &rst
  ixpk= 1766, nxpk= 15, iat=  -1,  64, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=  49,  50,  25,  26,
 &end
#
#    0 AMB  15-2:1767     4 SER  HN          2.80    (#   1767:15  Single Ambig)
 &rst
  ixpk= 1767, nxpk= 15, iat=  -1,  64, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=  49,  50,  25,  26,
 &end
#
#    3 LEU  HG            4 SER  HN          5.50    (#   1768:15  Unique         4.45, 4.97 A)
 &rst
  ixpk= 1768, nxpk= 15, iat=  52,  64, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    3 LEU  MDX           4 SER  HN          5.50    (#   1769:15  Unique         4.44, 5.56 A)
 &rst
  ixpk= 1769, nxpk= 15, iat=  -1,  64, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=  54,  55,  56,  58,  59,  60,
 &end
#
#  144 ILE  QG2           4 SER  HN          5.50    (#   1770:15  Unique         2.33, 3.74 A)
 &rst
  ixpk= 1770, nxpk= 15, iat=  -1,  64, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=2188,2189,2190,
 &end
#
#   93 ASN  HN           92 GLY  HN          3.50    (#   1791:15  Unique         1.68, 2.60 A)
 &rst
  ixpk= 1791, nxpk= 15, iat=1421,1414, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   91 PRO  HA           92 GLY  HN          3.50    (#   1793:15  Unique         2.15, 2.83 A)
 &rst
  ixpk= 1793, nxpk= 15, iat=1410,1414, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   92 GLY  HA-          92 GLY  HN          3.50    (#   1794:15  Unique         2.26, 2.69 A)
 &rst
  ixpk= 1794, nxpk= 15, iat=  -1,1414, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1416,1417,
 &end
#
#   92 GLY  HA+          92 GLY  HN          4.50    (#   1795:15  Unique         2.26, 2.69 A)
 &rst
  ixpk= 1795, nxpk= 15, iat=  -1,1414, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1416,1417,
 &end
#
#   91 PRO  HB+          92 GLY  HN          4.50    (#   1796:15  Unique         3.00, 4.00 A)
 &rst
  ixpk= 1796, nxpk= 15, iat=  -1,1414, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1407,1408,
 &end
#
#   91 PRO  HB-          92 GLY  HN          5.50    (#   1797:15  Unique         3.00, 4.00 A)
 &rst
  ixpk= 1797, nxpk= 15, iat=  -1,1414, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1407,1408,
 &end
#
#   37 TYR  HB+          38 ILE  HN          4.50    (#   1799:15  Unique         3.11, 3.52 A)
 &rst
  ixpk= 1799, nxpk= 15, iat=  -1, 595, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 578, 579,
 &end
#
#    0 AMB  15-2:1800    38 ILE  HN          4.50    (#   1800:15  Single Ambig)
 &rst
  ixpk= 1800, nxpk= 15, iat=  -1, 595, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 511, 512,1166,1167,
 &end
#
#   38 ILE  HA           38 ILE  HN          4.50    (#   1801:15  Unique         2.93, 2.95 A)
 &rst
  ixpk= 1801, nxpk= 15, iat= 597, 595, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   36 ASN  HA           38 ILE  HN          3.50    (#   1802:15  Unique         2.67, 2.79 A)
 &rst
  ixpk= 1802, nxpk= 15, iat= 562, 595, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:1803    38 ILE  HN          4.50    (#   1803:15  Single Ambig)
 &rst
  ixpk= 1803, nxpk= 15, iat=  -1, 595, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 578, 579, 564, 565,
 &end
#
#    0 AMB  15-2:1804    38 ILE  HN          4.50    (#   1804:15  Single Ambig)
 &rst
  ixpk= 1804, nxpk= 15, iat=  -1, 595, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 608, 609, 610,1172,1173, 688, 689, 690,
 &end
#
#   33 LEU  MDX          38 ILE  HN          4.50    (#   1805:15  Unique         3.95, 6.09 A)
 &rst
  ixpk= 1805, nxpk= 15, iat=  -1, 595, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 516, 517, 518, 520, 521, 522,
 &end
#
#   38 ILE  HB           38 ILE  HN          4.50    (#   1806:15  Unique         3.81, 3.83 A)
 &rst
  ixpk= 1806, nxpk= 15, iat= 599, 595, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   37 TYR  HN           38 ILE  HN          2.80    (#   1807:15  Unique         2.36, 2.43 A)
 &rst
  ixpk= 1807, nxpk= 15, iat= 574, 595, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:1808    38 ILE  HN          5.50    (#   1808:15  Single Ambig)
 &rst
  ixpk= 1808, nxpk= 15, iat=  -1, 595, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 614,1162,
 &end
#
#   36 ASN  HN           38 ILE  HN          4.50    (#   1809:15  Unique         4.13, 4.27 A)
 &rst
  ixpk= 1809, nxpk= 15, iat= 560, 595, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:1810    38 ILE  HN          4.50    (#   1810:15  Single Ambig)
 &rst
  ixpk= 1810, nxpk= 15, iat=  -1, 595, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 569, 570, 582, 591,
 &end
#
#    0 AMB  15-2:1811    38 ILE  HN          3.50    (#   1811:15  Single Ambig)
 &rst
  ixpk= 1811, nxpk= 15, iat=  -1, 595, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 509, 576,
 &end
#
#   38 ILE  HG1+         38 ILE  HN          3.50    (#   1812:15  Unique         2.32, 2.65 A)
 &rst
  ixpk= 1812, nxpk= 15, iat=  -1, 595, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 605, 606,
 &end
#
#    0 AMB  15-2:1813    38 ILE  HN          2.80    (#   1813:15  Single Ambig)
 &rst
  ixpk= 1813, nxpk= 15, iat=  -1, 595, r1= 0.00, r2= 1.80, r3= 3.66, r4= 4.41,
 igr1= 605, 606, 601, 602, 603,
 &end
#
#    0 AMB  15-2:1814    38 ILE  HN          5.50    (#   1814:15  Single Ambig)
 &rst
  ixpk= 1814, nxpk= 15, iat=  -1, 595, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1143, 507,
 &end
#
#  109 ASP  HA          113 GLY  HN          5.50    (#   1822:15  Unique         3.84, 3.93 A)
 &rst
  ixpk= 1822, nxpk= 15, iat=1655,1712, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:1823   113 GLY  HN          5.50    (#   1823:15  Single Ambig)
 &rst
  ixpk= 1823, nxpk= 15, iat=  -1,1712, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1=1723,1724,1725,1739,1740,
 &end
#
#  114 ALA  HN          113 GLY  HN          3.50    (#   1824:15  Unique         2.70, 2.80 A)
 &rst
  ixpk= 1824, nxpk= 15, iat=1719,1712, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  112 ILE  HN          113 GLY  HN          3.50    (#   1825:15  Unique         2.90, 2.94 A)
 &rst
  ixpk= 1825, nxpk= 15, iat=1693,1712, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  113 GLY  HA+         113 GLY  HN          2.80    (#   1826:15  Unique         2.29, 2.56 A)
 &rst
  ixpk= 1826, nxpk= 15, iat=  -1,1712, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1714,1715,
 &end
#
#  112 ILE  HB          113 GLY  HN          3.50    (#   1827:15  Unique         2.46, 2.60 A)
 &rst
  ixpk= 1827, nxpk= 15, iat=1697,1712, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  112 ILE  HG1-        113 GLY  HN          5.50    (#   1828:15  Unique         4.49, 4.75 A)
 &rst
  ixpk= 1828, nxpk= 15, iat=  -1,1712, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1703,1704,
 &end
#
#    0 AMB  15-2:1829   113 GLY  HN          5.50    (#   1829:15  Single Ambig)
 &rst
  ixpk= 1829, nxpk= 15, iat=  -1,1712, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1703,1704,1739,1740,
 &end
#
#  112 ILE  QG2         113 GLY  HN          3.50    (#   1830:15  Unique         3.02, 3.95 A)
 &rst
  ixpk= 1830, nxpk= 15, iat=  -1,1712, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1699,1700,1701,
 &end
#
#  110 SER  HA          113 GLY  HN          4.50    (#   1831:15  Unique         3.26, 3.37 A)
 &rst
  ixpk= 1831, nxpk= 15, iat=1667,1712, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  112 ILE  HA          113 GLY  HN          4.50    (#   1832:15  Unique         3.63, 3.64 A)
 &rst
  ixpk= 1832, nxpk= 15, iat=1695,1712, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   18 ALA  HA           17 SER  HN          5.50    (#   1834:15  Unique         4.28, 4.44 A)
 &rst
  ixpk= 1834, nxpk= 15, iat= 274, 261, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:1836     0 AMB  15-1:1836   3.50    (#   1836:15  Double Ambig)
 &rst
  ixpk= 1836, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 265, 266,1969,1986,
 igr2= 261,2022,
 &end
#
#   18 ALA  HN           17 SER  HN          5.50    (#   1837:15  Unique         4.14, 4.25 A)
 &rst
  ixpk= 1837, nxpk= 15, iat= 272, 261, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   16 HIS  HN           17 SER  HN          3.50    (#   1838:15  Unique         2.50, 2.62 A)
 &rst
  ixpk= 1838, nxpk= 15, iat= 244, 261, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   17 SER  HA           17 SER  HN          3.50    (#   1839:15  Unique         2.81, 2.87 A)
 &rst
  ixpk= 1839, nxpk= 15, iat= 263, 261, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   17 SER  HB-          17 SER  HN          4.50    (#   1840:15  Unique         3.03, 3.71 A)
 &rst
  ixpk= 1840, nxpk= 15, iat=  -1, 261, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 265, 266,
 &end
#
#   16 HIS  HB+          17 SER  HN          3.50    (#   1841:15  Unique         2.45, 3.42 A)
 &rst
  ixpk= 1841, nxpk= 15, iat=  -1, 261, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 248, 249,
 &end
#
#   15 ILE  QG2          17 SER  HN          2.80    (#   1842:15  Unique         1.88, 2.79 A)
 &rst
  ixpk= 1842, nxpk= 15, iat=  -1, 261, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 231, 232, 233,
 &end
#
#  132 LEU  HA          133 THR  HN          4.50    (#   1844:15  Unique         3.38, 3.43 A)
 &rst
  ixpk= 1844, nxpk= 15, iat=2005,2022, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  132 LEU  HN          133 THR  HN          3.50    (#   1845:15  Unique         2.90, 2.98 A)
 &rst
  ixpk= 1845, nxpk= 15, iat=2003,2022, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  134 ALA  HN          133 THR  HN          2.80    (#   1846:15  Unique         2.05, 2.20 A)
 &rst
  ixpk= 1846, nxpk= 15, iat=2036,2022, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:1847   133 THR  HN          2.80    (#   1847:15  Single Ambig)
 &rst
  ixpk= 1847, nxpk= 15, iat=  -1,2022, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=2024,2026,
 &end
#
#  132 LEU  HB-         133 THR  HN          4.50    (#   1848:15  Unique         3.18, 3.78 A)
 &rst
  ixpk= 1848, nxpk= 15, iat=  -1,2022, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=2007,2008,
 &end
#
#    0 AMB  15-2:1849     0 AMB  15-1:1849   3.50    (#   1849:15  Double Ambig)
 &rst
  ixpk= 1849, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=2040,2041,2042, 229,1289,1290,
 igr2=2022, 261,
 &end
#
#  133 THR  MG2         133 THR  HN          3.50    (#   1850:15  Unique         2.76, 3.78 A)
 &rst
  ixpk= 1850, nxpk= 15, iat=  -1,2022, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=2028,2029,2030,
 &end
#
#    0 AMB  15-2:1852     0 AMB  15-1:1852   4.50    (#   1852:15  Double Ambig)
 &rst
  ixpk= 1852, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
 igr1=1526,1527,1528,1530,1531,1532,1349,1350,1351,1353,
      1354,1355,2012,2013,2014,2016,2017,2018,2012,2013,
      2014,2016,2017,2018,
 igr2=2022, 261,
 &end
#
#   74 ALA  HN           73 GLY  HN          2.80    (#   1864:15  Unique         1.89, 1.95 A)
 &rst
  ixpk= 1864, nxpk= 15, iat=1133,1126, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   42 TYR  HD           73 GLY  HN          3.50    (#   1865:15  Unique         2.81, 5.14 A)
 &rst
  ixpk= 1865, nxpk= 15, iat=  -1,1126, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 662, 671,
 &end
#
#   70 PRO  HA           73 GLY  HN          4.50    (#   1867:15  Unique         4.28, 4.40 A)
 &rst
  ixpk= 1867, nxpk= 15, iat=1096,1126, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   72 CYS  HA           73 GLY  HN          3.50    (#   1868:15  Unique         3.34, 3.38 A)
 &rst
  ixpk= 1868, nxpk= 15, iat=1117,1126, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   74 ALA  MB           73 GLY  HN          4.50    (#   1870:15  Unique         4.20, 4.73 A)
 &rst
  ixpk= 1870, nxpk= 15, iat=  -1,1126, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1137,1138,1139,
 &end
#
#    0 AMB  15-2:1871    73 GLY  HN          3.50    (#   1871:15  Single Ambig)
 &rst
  ixpk= 1871, nxpk= 15, iat=  -1,1126, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1119,1120, 658, 659,
 &end
#
#    0 AMB  15-2:1889    71 GLU  HN          5.50    (#   1889:15  Single Ambig)
 &rst
  ixpk= 1889, nxpk= 15, iat=  -1,1100, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1119,1120,1680,1681,
 &end
#
#   88 VAL  MGX          19 LYS  HN          5.50    (#   1890:15  Unique         4.37, 6.22 A)
 &rst
  ixpk= 1890, nxpk= 15, iat=  -1, 282, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1349,1350,1351,1353,1354,1355,
 &end
#
#   20 ASP  HA           19 LYS  HN          5.50    (#   1891:15  Unique         4.97, 5.25 A)
 &rst
  ixpk= 1891, nxpk= 15, iat= 306, 282, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:1892    19 LYS  HN          5.50    (#   1892:15  Single Ambig)
 &rst
  ixpk= 1892, nxpk= 15, iat=  -1, 282, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 357, 382,
 &end
#
#  100 LEU  HA          101 ILE  HN          2.80    (#   1893:15  Unique         2.14, 2.23 A)
 &rst
  ixpk= 1893, nxpk= 15, iat=1538,1555, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   32 LEU  MDY          78 GLY  HN          5.50    (#   1894:15  Unique         4.14, 5.32 A)
 &rst
  ixpk= 1894, nxpk= 15, iat=  -1,1198, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 497, 498, 499, 501, 502, 503,
 &end
#
#  103 LEU  MDX          78 GLY  HN          5.50    (#   1895:15  Unique         3.26, 5.75 A)
 &rst
  ixpk= 1895, nxpk= 15, iat=  -1,1198, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1590,1591,1592,1594,1595,1596,
 &end
#
#   99 LEU  HA          100 LEU  HN          2.80    (#   1896:15  Unique         2.00, 2.10 A)
 &rst
  ixpk= 1896, nxpk= 15, iat=1519,1536, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    2 ARG  HD+           3 LEU  HN          5.50    (#   1898:15  Unique         4.30, 5.53 A)
 &rst
  ixpk= 1898, nxpk= 15, iat=  -1,  45, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  31,  32,
 &end
#
#    1 MET  HG+           5 ASP  HN          5.50    (#   1899:15  Unique         3.78, 5.39 A)
 &rst
  ixpk= 1899, nxpk= 15, iat=  -1,  75, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  11,  12,
 &end
#
#  117 ALA  MB            5 ASP  HN          5.50    (#   1900:15  Unique         5.55, 6.69 A)
 &rst
  ixpk= 1900, nxpk= 15, iat=  -1,  75, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1769,1770,1771,
 &end
#
#    0 AMB  15-2:1901     4 SER  HN          5.50    (#   1901:15  Single Ambig)
 &rst
  ixpk= 1901, nxpk= 15, iat=  -1,  64, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2236,2201,
 &end
#
#    3 LEU  HN            5 ASP  HN          5.50    (#   1902:15  Unique         4.24, 4.38 A)
 &rst
  ixpk= 1902, nxpk= 15, iat=  45,  75, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    4 SER  HN            6 TYR  HN          5.50    (#   1905:15  Unique         4.33, 4.52 A)
 &rst
  ixpk= 1905, nxpk= 15, iat=  64,  87, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    9 GLU  HB+           9 GLU  HN          2.80    (#   1906:15  Unique         2.10, 2.64 A)
 &rst
  ixpk= 1906, nxpk= 15, iat=  -1, 142, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 146, 147,
 &end
#
#    6 TYR  HB+           6 TYR  HN          2.80    (#   1908:15  Unique         2.34, 3.03 A)
 &rst
  ixpk= 1908, nxpk= 15, iat=  -1,  87, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=  91,  92,
 &end
#
#   11 SER  HB-          12 ILE  HN          5.50    (#   1909:15  Unique         3.47, 4.25 A)
 &rst
  ixpk= 1909, nxpk= 15, iat=  -1, 179, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 172, 173,
 &end
#
#    0 AMB  15-2:1910    12 ILE  HN          5.50    (#   1910:15  Single Ambig)
 &rst
  ixpk= 1910, nxpk= 15, iat=  -1, 179, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 161, 162, 144,
 &end
#
#    0 AMB  15-2:1912    13 SER  HN          3.50    (#   1912:15  Single Ambig)
 &rst
  ixpk= 1912, nxpk= 15, iat=  -1, 198, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=2131,2132,2133,2135,2136,2137, 215, 216, 217, 219,
       220, 221,
 &end
#
#   81 LEU  HB+          13 SER  HN          5.50    (#   1913:15  Unique         3.70, 4.73 A)
 &rst
  ixpk= 1913, nxpk= 15, iat=  -1, 198, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1237,1238,
 &end
#
#   85 GLU  HB+          16 HIS  HN          5.50    (#   1914:15  Unique         4.79, 5.86 A)
 &rst
  ixpk= 1914, nxpk= 15, iat=  -1, 244, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1308,1309,
 &end
#
#   15 ILE  QD1          16 HIS  HN          5.50    (#   1915:15  Unique         4.13, 5.76 A)
 &rst
  ixpk= 1915, nxpk= 15, iat=  -1, 244, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 238, 239, 240,
 &end
#
#   15 ILE  QD1          17 SER  HN          5.50    (#   1916:15  Unique         4.89, 5.75 A)
 &rst
  ixpk= 1916, nxpk= 15, iat=  -1, 261, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 238, 239, 240,
 &end
#
#    0 AMB  15-2:1917    18 ALA  HN          5.50    (#   1917:15  Single Ambig)
 &rst
  ixpk= 1917, nxpk= 15, iat=  -1, 272, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 364, 365, 286, 287,
 &end
#
#    0 AMB  15-2:1918    20 ASP  HN          3.50    (#   1918:15  Single Ambig)
 &rst
  ixpk= 1918, nxpk= 15, iat=  -1, 304, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 286, 287, 364, 365,
 &end
#
#   20 ASP  HB+          23 GLU  HN          5.50    (#   1919:15  Unique         1.94, 3.65 A)
 &rst
  ixpk= 1919, nxpk= 15, iat=  -1, 357, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 308, 309,
 &end
#
#   25 ILE  HB           24 ALA  HN          5.50    (#   1920:15  Unique         4.96, 5.08 A)
 &rst
  ixpk= 1920, nxpk= 15, iat= 386, 372, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:1923    26 ASP  HN          5.50    (#   1923:15  Single Ambig)
 &rst
  ixpk= 1923, nxpk= 15, iat=  -1, 401, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 415, 435,
 &end
#
#   27 PHE  HB+          26 ASP  HN          5.50    (#   1924:15  Unique         4.67, 5.51 A)
 &rst
  ixpk= 1924, nxpk= 15, iat=  -1, 401, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 417, 418,
 &end
#
#   25 ILE  QG2          26 ASP  HN          3.50    (#   1925:15  Unique         3.51, 4.40 A)
 &rst
  ixpk= 1925, nxpk= 15, iat=  -1, 401, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 388, 389, 390,
 &end
#
#   24 ALA  MB           26 ASP  HN          5.50    (#   1927:15  Unique         5.07, 5.64 A)
 &rst
  ixpk= 1927, nxpk= 15, iat=  -1, 401, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 376, 377, 378,
 &end
#
#   47 LYS  HE-          26 ASP  HN          5.50    (#   1928:15  Unique         2.90, 3.38 A)
 &rst
  ixpk= 1928, nxpk= 15, iat=  -1, 401, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 753, 754,
 &end
#
#   23 GLU  HA           27 PHE  HN          4.50    (#   1929:15  Unique         3.76, 3.89 A)
 &rst
  ixpk= 1929, nxpk= 15, iat= 359, 413, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   26 ASP  HA           28 SER  HN          5.50    (#   1930:15  Unique         3.98, 4.23 A)
 &rst
  ixpk= 1930, nxpk= 15, iat= 403, 433, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   32 LEU  MDY          31 SER  HN          5.50    (#   1936:15  Unique         5.49, 6.65 A)
 &rst
  ixpk= 1936, nxpk= 15, iat=  -1, 477, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 497, 498, 499, 501, 502, 503,
 &end
#
#    0 AMB  15-2:1937    32 LEU  HN          5.50    (#   1937:15  Single Ambig)
 &rst
  ixpk= 1937, nxpk= 15, iat=  -1, 488, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1= 605, 606, 601, 602, 603,
 &end
#
#   31 SER  HN           33 LEU  HN          5.50    (#   1938:15  Unique         4.06, 4.23 A)
 &rst
  ixpk= 1938, nxpk= 15, iat= 477, 507, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:1939    33 LEU  HN          4.50    (#   1939:15  Single Ambig)
 &rst
  ixpk= 1939, nxpk= 15, iat=  -1, 507, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 516, 517, 518, 520, 521, 522, 548, 549, 545, 546,
      
 &end
#
#   36 ASN  HB-          36 ASN  HN          3.50    (#   1940:15  Unique         2.86, 3.43 A)
 &rst
  ixpk= 1940, nxpk= 15, iat=  -1, 560, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 564, 565,
 &end
#
#   34 ASP  HB+          36 ASN  HN          5.50    (#   1941:15  Unique         4.83, 5.21 A)
 &rst
  ixpk= 1941, nxpk= 15, iat=  -1, 560, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 530, 531,
 &end
#
#   35 LYS  HB+          37 TYR  HN          5.50    (#   1942:15  Unique         3.42, 4.27 A)
 &rst
  ixpk= 1942, nxpk= 15, iat=  -1, 574, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 542, 543,
 &end
#
#   42 TYR  HB-          39 SER  HN          4.50    (#   1943:15  Unique         2.61, 2.98 A)
 &rst
  ixpk= 1943, nxpk= 15, iat=  -1, 614, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 658, 659,
 &end
#
#   43 ILE  HG1-         44 GLN  HN          5.50    (#   1945:15  Unique         4.09, 4.62 A)
 &rst
  ixpk= 1945, nxpk= 15, iat=  -1, 694, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 685, 686,
 &end
#
#   46 ILE  HN           48 ASP  HN          5.50    (#   1946:15  Unique         3.70, 4.02 A)
 &rst
  ixpk= 1946, nxpk= 15, iat= 721, 762, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   44 GLN  HE2-         48 ASP  HN          5.50    (#   1947:15  Unique         3.41, 4.49 A)
 &rst
  ixpk= 1947, nxpk= 15, iat=  -1, 762, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 706, 707,
 &end
#
#   44 GLN  HG+          48 ASP  HN          5.50    (#   1948:15  Unique         3.83, 5.10 A)
 &rst
  ixpk= 1948, nxpk= 15, iat=  -1, 762, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 701, 702,
 &end
#
#   76 LYS  HN           77 THR  HN          5.50    (#   1949:15  Unique         4.36, 4.39 A)
 &rst
  ixpk= 1949, nxpk= 15, iat=1162,1184, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   57 TYR  HA           65 MET  HN          5.50    (#   1950:15  Unique         4.47, 4.90 A)
 &rst
  ixpk= 1950, nxpk= 15, iat= 890,1004, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:1951    68 ALA  HN          5.50    (#   1951:15  Single Ambig)
 &rst
  ixpk= 1951, nxpk= 15, iat=  -1,1052, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1=1585,1586, 715, 716, 717,
 &end
#
#   74 ALA  HN           72 CYS  HN          3.50    (#   1952:15  Unique         3.58, 3.59 A)
 &rst
  ixpk= 1952, nxpk= 15, iat=1133,1115, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   45 ALA  MB           72 CYS  HN          5.50    (#   1953:15  Unique         5.76, 6.11 A)
 &rst
  ixpk= 1953, nxpk= 15, iat=  -1,1115, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 715, 716, 717,
 &end
#
#    0 AMB  15-2:1955    79 MET  HN          5.50    (#   1955:15  Single Ambig)
 &rst
  ixpk= 1955, nxpk= 15, iat=  -1,1205, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1588, 492, 493,
 &end
#
#   79 MET  HB-          79 MET  HN          3.50    (#   1956:15  Unique         2.64, 3.31 A)
 &rst
  ixpk= 1956, nxpk= 15, iat=  -1,1205, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1209,1210,
 &end
#
#    0 AMB  15-2:1957    86 GLN  HN          5.50    (#   1957:15  Single Ambig)
 &rst
  ixpk= 1957, nxpk= 15, iat=  -1,1319, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 272,1285,
 &end
#
#   93 ASN  HA           92 GLY  HN          5.50    (#   1959:15  Unique         4.48, 5.00 A)
 &rst
  ixpk= 1959, nxpk= 15, iat=1423,1414, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  101 ILE  HN          102 GLY  HN          5.50    (#   1960:15  Unique         4.07, 4.29 A)
 &rst
  ixpk= 1960, nxpk= 15, iat=1555,1574, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  103 LEU  MDY         105 ALA  HN          5.50    (#   1962:15  Unique         3.91, 5.86 A)
 &rst
  ixpk= 1962, nxpk= 15, iat=  -1,1611, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1590,1591,1592,1594,1595,1596,
 &end
#
#  112 ILE  HN          110 SER  HN          5.50    (#   1963:15  Unique         4.07, 4.12 A)
 &rst
  ixpk= 1963, nxpk= 15, iat=1693,1665, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  111 HIS  HB+         110 SER  HN          5.50    (#   1964:15  Unique         4.26, 4.94 A)
 &rst
  ixpk= 1964, nxpk= 15, iat=  -1,1665, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1680,1681,
 &end
#
#  112 ILE  HB          114 ALA  HN          5.50    (#   1965:15  Unique         4.88, 5.08 A)
 &rst
  ixpk= 1965, nxpk= 15, iat=1697,1719, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  115 ILE  QG2         114 ALA  HN          5.50    (#   1966:15  Unique         6.20, 6.72 A)
 &rst
  ixpk= 1966, nxpk= 15, iat=  -1,1719, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1735,1736,1737,
 &end
#
#  116 GLN  HB+         117 ALA  HN          3.50    (#   1967:15  Unique         3.43, 3.87 A)
 &rst
  ixpk= 1967, nxpk= 15, iat=  -1,1765, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1752,1753,
 &end
#
#  120 GLU  HG+         119 SER  HN          5.50    (#   1968:15  Unique         4.32, 5.12 A)
 &rst
  ixpk= 1968, nxpk= 15, iat=  -1,1794, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1812,1813,
 &end
#
#  119 SER  HN          121 LEU  HN          5.50    (#   1969:15  Unique         4.02, 4.12 A)
 &rst
  ixpk= 1969, nxpk= 15, iat=1794,1820, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  120 GLU  HG+         121 LEU  HN          5.50    (#   1970:15  Unique         4.32, 4.79 A)
 &rst
  ixpk= 1970, nxpk= 15, iat=  -1,1820, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1812,1813,
 &end
#
#  121 LEU  HB-         121 LEU  HN          2.80    (#   1971:15  Unique         2.54, 3.18 A)
 &rst
  ixpk= 1971, nxpk= 15, iat=  -1,1820, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1824,1825,
 &end
#
#    0 AMB  15-2:1972   121 LEU  HN          5.50    (#   1972:15  Single Ambig)
 &rst
  ixpk= 1972, nxpk= 15, iat=  -1,1820, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=  52,1565,1566,
 &end
#
#  124 GLU  HA          127 ILE  HN          5.50    (#   1974:15  Unique         4.33, 4.43 A)
 &rst
  ixpk= 1974, nxpk= 15, iat=1871,1914, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  131 LEU  HB-         128 LEU  HN          5.50    (#   1975:15  Unique         5.30, 6.32 A)
 &rst
  ixpk= 1975, nxpk= 15, iat=  -1,1933, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1988,1989,
 &end
#
#    0 AMB  15-2:1976   140 LEU  HN          3.50    (#   1976:15  Single Ambig)
 &rst
  ixpk= 1976, nxpk= 15, iat=  -1,2122, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 185, 186, 187,1242,1243,1244,1246,1247,1248,
 &end
#
#    0 AMB  15-2:1977   143 ILE  HN          5.50    (#   1977:15  Single Ambig)
 &rst
  ixpk= 1977, nxpk= 15, iat=  -1,2163, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 192, 193, 194,2188,2189,2190,
 &end
#
#  141 ALA  MB          145 SER  HN          5.50    (#   1978:15  Unique         4.82, 5.56 A)
 &rst
  ixpk= 1978, nxpk= 15, iat=  -1,2201, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=2145,2146,2147,
 &end
#
#   21 TRP  HE1          21 TRP  HN          5.50    (#   1980:15  Unique         3.81, 3.99 A)
 &rst
  ixpk= 1980, nxpk= 15, iat= 326, 316, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   19 LYS  HN           23 GLU  HN          5.50    (#   1981:15  Unique         4.95, 5.14 A)
 &rst
  ixpk= 1981, nxpk= 15, iat= 282, 357, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:1982    32 LEU  HN          5.50    (#   1982:15  Single Ambig)
 &rst
  ixpk= 1982, nxpk= 15, iat=  -1, 488, r1= 0.00, r2= 1.80, r3= 7.61, r4= 8.36,
 igr1= 514, 516, 517, 518, 520, 521, 522,
 &end
#
#  122 LEU  HN          124 GLU  HN          5.50    (#   1983:15  Unique         4.46, 4.60 A)
 &rst
  ixpk= 1983, nxpk= 15, iat=1839,1869, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:1984   130 GLN  HN          2.80    (#   1984:15  Single Ambig)
 &rst
  ixpk= 1984, nxpk= 15, iat=  -1,1967, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1971,1972,1974,1975,
 &end
#
#  129 GLU  HN          131 LEU  HN          4.50    (#   1985:15  Unique         4.12, 4.21 A)
 &rst
  ixpk= 1985, nxpk= 15, iat=1952,1984, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  127 ILE  HN          126 GLU  HN          3.50    (#   1986:15  Unique         2.56, 2.62 A)
 &rst
  ixpk= 1986, nxpk= 15, iat=1914,1899, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  127 ILE  HN          129 GLU  HN          4.50    (#   1987:15  Unique         4.25, 4.33 A)
 &rst
  ixpk= 1987, nxpk= 15, iat=1914,1952, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:1991    25 ILE  HN          5.50    (#   1991:15  Single Ambig)
 &rst
  ixpk= 1991, nxpk= 15, iat=  -1, 382, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 405, 406, 451, 452,
 &end
#
#    0 AMB  15-2:1995   124 GLU  HN          5.50    (#   1995:15  Single Ambig)
 &rst
  ixpk= 1995, nxpk= 15, iat=  -1,1869, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1942,1943,1944,1946,1947,1948,1942,1943,1944,1946,
      1947,1948,
 &end
#
#  114 ALA  HA          118 LEU  HN          5.50    (#   2003:15  Unique         4.14, 4.22 A)
 &rst
  ixpk= 2003, nxpk= 15, iat=1721,1775, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  119 SER  HN          117 ALA  HN          5.50    (#   2004:15  Unique         3.33, 3.50 A)
 &rst
  ixpk= 2004, nxpk= 15, iat=1794,1765, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  116 GLN  HA          117 ALA  HN          3.50    (#   2006:15  Unique         3.28, 3.40 A)
 &rst
  ixpk= 2006, nxpk= 15, iat=1750,1765, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  116 GLN  HG-         117 ALA  HN          4.50    (#   2007:15  Unique         4.78, 5.19 A)
 &rst
  ixpk= 2007, nxpk= 15, iat=  -1,1765, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1755,1756,
 &end
#
#  118 LEU  HG          117 ALA  HN          4.50    (#   2008:15  Unique         3.62, 3.67 A)
 &rst
  ixpk= 2008, nxpk= 15, iat=1782,1765, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  115 ILE  QG2         117 ALA  HN          5.50    (#   2009:15  Unique         4.79, 5.48 A)
 &rst
  ixpk= 2009, nxpk= 15, iat=  -1,1765, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1735,1736,1737,
 &end
#
#  103 LEU  HB+         115 ILE  HN          5.50    (#   2010:15  Unique         5.84, 6.04 A)
 &rst
  ixpk= 2010, nxpk= 15, iat=  -1,1729, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1585,1586,
 &end
#
#  118 LEU  HB+         115 ILE  HN          5.50    (#   2011:15  Unique         5.05, 6.48 A)
 &rst
  ixpk= 2011, nxpk= 15, iat=  -1,1729, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1779,1780,
 &end
#
#  110 SER  HB+         114 ALA  HN          5.50    (#   2013:15  Unique         4.91, 5.42 A)
 &rst
  ixpk= 2013, nxpk= 15, iat=  -1,1719, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1669,1670,
 &end
#
#   74 ALA  HA          105 ALA  HN          5.50    (#   2023:15  Unique         4.32, 4.55 A)
 &rst
  ixpk= 2023, nxpk= 15, iat=1135,1611, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   88 VAL  HN           89 TYR  HN          4.50    (#   2028:15  Unique         1.56, 2.71 A)
 &rst
  ixpk= 2028, nxpk= 15, iat=1343,1359, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:2032     0 AMB  15-1:2032   3.50    (#   2032:15  Double Ambig)
 &rst
  ixpk= 2032, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1=1152,1153,1154,1156,1157,1158, 685, 686,
 igr2=1143, 507,
 &end
#
#   15 ILE  HG1+         16 HIS  HN          5.50    (#   2033:15  Unique         3.63, 4.58 A)
 &rst
  ixpk= 2033, nxpk= 15, iat=  -1, 244, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 235, 236,
 &end
#
#    0 AMB  15-2:2041   117 ALA  HN          5.50    (#   2041:15  Single Ambig)
 &rst
  ixpk= 2041, nxpk= 15, iat=  -1,1765, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1739,1740,  52,
 &end
#
#  124 GLU  HG+         127 ILE  HN          5.50    (#   2043:15  Unique         2.56, 4.50 A)
 &rst
  ixpk= 2043, nxpk= 15, iat=  -1,1914, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1876,1877,
 &end
#
#    0 AMB  15-2:2047   118 LEU  HN          4.50    (#   2047:15  Single Ambig)
 &rst
  ixpk= 2047, nxpk= 15, iat=  -1,1775, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1735,1736,1737,1846,
 &end
#
#    0 AMB  15-2:2048    76 LYS  HN          3.50    (#   2048:15  Single Ambig)
 &rst
  ixpk= 2048, nxpk= 15, iat=  -1,1162, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
 igr1=1169,1170,1137,1138,1139,
 &end
#
#   35 LYS  HN           37 TYR  HN          5.50    (#   2050:15  Unique         3.19, 3.36 A)
 &rst
  ixpk= 2050, nxpk= 15, iat= 538, 574, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   75 LEU  MDX          38 ILE  HN          4.50    (#   2051:15  Unique         3.31, 5.69 A)
 &rst
  ixpk= 2051, nxpk= 15, iat=  -1, 595, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1152,1153,1154,1156,1157,1158,
 &end
#
#   72 CYS  HN           73 GLY  HN          3.50    (#   2052:15  Unique         2.49, 2.55 A)
 &rst
  ixpk= 2052, nxpk= 15, iat=1115,1126, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  130 GLN  HB+         130 GLN  HN          2.80    (#   2053:15  Unique         2.21, 2.89 A)
 &rst
  ixpk= 2053, nxpk= 15, iat=  -1,1967, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1971,1972,
 &end
#
#   53 ASN  HD2+         53 ASN  HN          5.50    (#   2056:15  Unique         2.94, 4.24 A)
 &rst
  ixpk= 2056, nxpk= 15, iat=  -1, 832, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 841, 842,
 &end
#
#   76 LYS  HN           75 LEU  HN          2.80    (#   2058:15  Unique         1.85, 1.88 A)
 &rst
  ixpk= 2058, nxpk= 15, iat=1162,1143, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   99 LEU  HB+          99 LEU  HN          2.80    (#   2059:15  Unique         2.31, 2.85 A)
 &rst
  ixpk= 2059, nxpk= 15, iat=  -1,1517, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1521,1522,
 &end
#
#   96 PRO  HD-          95 GLU  HN          4.50    (#   2060:15  Unique         4.25, 4.85 A)
 &rst
  ixpk= 2060, nxpk= 15, iat=  -1,1447, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1463,1464,
 &end
#
#   96 PRO  HD+          95 GLU  HN          5.50    (#   2061:15  Unique         4.25, 4.85 A)
 &rst
  ixpk= 2061, nxpk= 15, iat=  -1,1447, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1463,1464,
 &end
#
#   49 SER  HA           52 ASN  HD2+        4.50    (#   2062:15  Unique         2.81, 3.80 A)
 &rst
  ixpk= 2062, nxpk= 15, iat= 776,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 827, 828,
 &end
#
#   49 SER  HA           52 ASN  HD2-        5.50    (#   2063:15  Unique         2.81, 3.80 A)
 &rst
  ixpk= 2063, nxpk= 15, iat= 776,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 827, 828,
 &end
#
#   25 ILE  HG1-         25 ILE  HN          4.50    (#   2064:15  Unique         2.20, 2.57 A)
 &rst
  ixpk= 2064, nxpk= 15, iat=  -1, 382, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 392, 393,
 &end
#
#   69 ARG  HB-          69 ARG  HN          2.80    (#   2067:15  Unique         2.20, 2.97 A)
 &rst
  ixpk= 2067, nxpk= 15, iat=  -1,1062, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1066,1067,
 &end
#
#   86 GLN  HB-          86 GLN  HN          2.80    (#   2071:15  Unique         2.43, 3.27 A)
 &rst
  ixpk= 2071, nxpk= 15, iat=  -1,1319, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1323,1324,
 &end
#
#    0 AMB  15-2:2072    86 GLN  HN          3.50    (#   2072:15  Single Ambig)
 &rst
  ixpk= 2072, nxpk= 15, iat=  -1,1319, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1289,1290,1505,1506,
 &end
#
#   85 GLU  HA           86 GLN  HN          3.50    (#   2074:15  Unique         3.43, 3.49 A)
 &rst
  ixpk= 2074, nxpk= 15, iat=1306,1319, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   12 ILE  QG2         137 GLU  HN          5.50    (#   2077:15  Unique         4.72, 5.59 A)
 &rst
  ixpk= 2077, nxpk= 15, iat=  -1,2068, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 185, 186, 187,
 &end
#
#   73 GLY  HA-          74 ALA  HN          4.50    (#    208:15  Unique         2.48, 3.32 A)
 &rst
  ixpk= 208, nxpk= 15, iat=  -1,1133, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1128,1129,
 &end
#
#    0 AMB  15-2:1344     0 AMB  15-1:1344   3.50    (#   1344:15  Double Ambig)
 &rst
  ixpk= 1344, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1128,1129, 801,
 igr2= 614, 832,
 &end
#
#   73 GLY  HA-          73 GLY  HN          3.50    (#   1869:15  Unique         2.44, 2.77 A)
 &rst
  ixpk= 1869, nxpk= 15, iat=  -1,1126, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1128,1129,
 &end
#
#   32 LEU  HN           33 LEU  HN          3.50    (#    244:15  Double Ambig )
 &rst
  ixpk= 244, nxpk= 15, iat= 488, 507, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   84 LEU  HG           87 GLY  HN          4.50    (#   1723:15  Single Ambig)
 &rst
  ixpk= 1723, nxpk= 15, iat=1292,1336, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   98 LYS  HB-          87 GLY  HN          4.50    (#   2076:15  Unique         2.37, 4.49 A)
 &rst
  ixpk= 2076, nxpk= 15, iat=  -1,1336, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1499,1500,
 &end
#
#   46 ILE  HA           46 ILE  HN          3.50    (#    925:15  Unique         2.77, 2.85 A)
 &rst
  ixpk= 925, nxpk= 15, iat= 723, 721, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    MET   1           H1       MET   1   1.384  -2.968  -1.636
    2    HA   MET   1           HA       MET   1   2.075  -1.616  -3.454
    3    HB2  MET   1           HB2      MET   1   1.287   0.537  -2.192
    4    HB3  MET   1           HB3      MET   1   2.884   0.519  -1.442
    5    HG2  MET   1           HG2      MET   1   2.819   1.994  -3.378
    6    HG3  MET   1           HG3      MET   1   3.930   0.663  -3.690
    7    HE1  MET   1           HE3      MET   1   2.237   1.723  -7.177
    8    HE2  MET   1           HE1      MET   1   2.518   2.795  -5.788
    9    HE3  MET   1           HE2      MET   1   3.772   1.633  -6.286
   10    H    ARG   2           H        ARG   2   4.343  -1.779  -4.097
   11    HA   ARG   2           HA       ARG   2   6.139  -3.230  -2.346
   12    HB2  ARG   2           HB2      ARG   2   6.359  -1.846  -5.025
   13    HB3  ARG   2           HB3      ARG   2   7.836  -2.061  -4.101
   14    HG2  ARG   2           HG2      ARG   2   7.554  -3.884  -5.662
   15    HG3  ARG   2           HG3      ARG   2   7.557  -4.457  -3.991
   16    HD2  ARG   2           HD2      ARG   2   5.107  -4.677  -4.038
   17    HD3  ARG   2           HD3      ARG   2   5.061  -4.055  -5.696
   18    HE   ARG   2           HE       ARG   2   6.596  -6.035  -6.237
   19   HH11  ARG   2          HH11      ARG   2   4.034  -6.238  -3.780
   20   HH12  ARG   2          HH12      ARG   2   3.824  -7.941  -3.945
   21   HH21  ARG   2          HH21      ARG   2   6.321  -8.293  -6.443
   22   HH22  ARG   2          HH22      ARG   2   5.152  -9.129  -5.495
   23    H    LEU   3           H        LEU   3   7.170  -2.454  -0.613
   24    HA   LEU   3           HA       LEU   3   7.199   0.381   0.047
   25    HB2  LEU   3           HB2      LEU   3   8.353  -2.157   1.206
   26    HB3  LEU   3           HB3      LEU   3   9.090  -0.645   1.676
   27    HG   LEU   3           HG       LEU   3   7.367  -1.502   3.245
   28   HD11  LEU   3          HD11      LEU   3   8.079   0.867   3.224
   29   HD12  LEU   3          HD12      LEU   3   6.770   1.258   2.088
   30   HD13  LEU   3          HD13      LEU   3   6.395   0.665   3.718
   31   HD21  LEU   3          HD23      LEU   3   5.011  -1.241   2.823
   32   HD22  LEU   3          HD21      LEU   3   5.302  -0.597   1.198
   33   HD23  LEU   3          HD22      LEU   3   5.678  -2.287   1.562
   34    H    SER   4           H        SER   4   9.639  -1.971  -1.168
   35    HA   SER   4           HA       SER   4  11.879  -0.466  -1.179
   36    HB2  SER   4           HB2      SER   4  11.096  -2.325  -3.447
   37    HB3  SER   4           HB3      SER   4  12.718  -2.029  -2.796
   38    HG   SER   4           HG       SER   4  11.741  -3.991  -2.056
   39    H    ASP   5           H        ASP   5   9.196  -0.029  -3.450
   40    HA   ASP   5           HA       ASP   5  10.541   1.255  -5.579
   41    HB2  ASP   5           HB2      ASP   5   8.218   0.444  -5.681
   42    HB3  ASP   5           HB3      ASP   5   7.726   1.669  -4.507
   43    H    TYR   6           H        TYR   6   9.659   2.454  -2.373
   44    HA   TYR   6           HA       TYR   6  10.074   5.268  -3.148
   45    HB2  TYR   6           HB2      TYR   6   9.278   3.969  -0.516
   46    HB3  TYR   6           HB3      TYR   6   9.385   5.696  -0.813
   47    HD1  TYR   6           HD2      TYR   6   7.791   6.863  -2.308
   48    HD2  TYR   6           HD1      TYR   6   7.348   2.680  -1.351
   49    HE1  TYR   6           HE2      TYR   6   5.460   6.926  -3.139
   50    HE2  TYR   6           HE1      TYR   6   5.021   2.731  -2.182
   51    HH   TYR   6           HH       TYR   6   3.523   5.700  -3.553
   52    H    PHE   7           H        PHE   7  12.198   2.756  -2.224
   53    HA   PHE   7           HA       PHE   7  13.834   4.557  -0.490
   54    HB2  PHE   7           HB2      PHE   7  13.566   1.554  -0.627
   55    HB3  PHE   7           HB3      PHE   7  14.927   2.344   0.149
   56    HD1  PHE   7           HD1      PHE   7  11.202   2.154   0.205
   57    HD2  PHE   7           HD2      PHE   7  14.756   3.187   2.390
   58    HE1  PHE   7           HE1      PHE   7   9.838   2.482   2.246
   59    HE2  PHE   7           HE2      PHE   7  13.389   3.574   4.417
   60    HZ   PHE   7           HZ       PHE   7  10.929   3.221   4.360
   61    HA   PRO   8           HA       PRO   8  16.023   4.668  -4.430
   62    HB2  PRO   8           HB2      PRO   8  18.011   6.512  -3.744
   63    HB3  PRO   8           HB3      PRO   8  16.364   6.887  -4.315
   64    HG2  PRO   8           HG2      PRO   8  17.362   6.767  -1.461
   65    HG3  PRO   8           HG3      PRO   8  16.312   8.005  -2.222
   66    HD2  PRO   8           HD2      PRO   8  15.255   6.045  -0.718
   67    HD3  PRO   8           HD3      PRO   8  14.442   6.544  -2.225
   68    H    GLU   9           H        GLU   9  18.242   4.725  -1.548
   69    HA   GLU   9           HA       GLU   9  19.428   2.220  -2.016
   70    HB2  GLU   9           HB2      GLU   9  20.398   3.133  -4.084
   71    HB3  GLU   9           HB3      GLU   9  21.023   4.538  -3.223
   72    HG2  GLU   9           HG2      GLU   9  22.599   3.128  -1.993
   73    HG3  GLU   9           HG3      GLU   9  21.825   1.663  -2.602
   74    H    SER  10           H        SER  10  20.852   5.471  -1.318
   75    HA   SER  10           HA       SER  10  22.182   4.631   1.040
   76    HB2  SER  10           HB2      SER  10  21.503   7.484   0.248
   77    HB3  SER  10           HB3      SER  10  22.938   6.902   1.109
   78    HG   SER  10           HG       SER  10  23.576   5.847  -0.816
   79    H    SER  11           H        SER  11  18.970   4.845   0.782
   80    HA   SER  11           HA       SER  11  18.069   6.753   2.648
   81    HB2  SER  11           HB2      SER  11  15.993   5.014   2.183
   82    HB3  SER  11           HB3      SER  11  16.448   6.386   1.180
   83    HG   SER  11           HG       SER  11  16.520   3.763   0.547
   84    H    ILE  12           H        ILE  12  19.690   3.915   3.493
   85    HA   ILE  12           HA       ILE  12  17.925   3.486   5.850
   86    HB   ILE  12           HB       ILE  12  19.311   1.354   4.203
   87   HG12  ILE  12          HG12      ILE  12  16.397   2.251   4.373
   88   HG13  ILE  12          HG13      ILE  12  17.434   2.247   2.948
   89   HG21  ILE  12          HG21      ILE  12  19.159   0.828   6.640
   90   HG22  ILE  12          HG22      ILE  12  17.406   1.115   6.577
   91   HG23  ILE  12          HG23      ILE  12  18.150  -0.231   5.675
   92   HD11  ILE  12          HD13      ILE  12  15.904   0.448   2.720
   93   HD12  ILE  12          HD11      ILE  12  17.496  -0.262   3.057
   94   HD13  ILE  12          HD12      ILE  12  16.256  -0.165   4.341
   95    H    SER  13           H        SER  13  18.937   3.707   7.757
   96    HA   SER  13           HA       SER  13  21.904   3.519   7.919
   97    HB2  SER  13           HB2      SER  13  20.159   5.832   8.846
   98    HB3  SER  13           HB3      SER  13  21.906   5.679   9.097
   99    HG   SER  13           HG       SER  13  21.396   6.991   7.290
  100    H    VAL  14           H        VAL  14  22.719   2.978   9.929
  101    HA   VAL  14           HA       VAL  14  20.885   2.875  12.255
  102    HB   VAL  14           HB       VAL  14  23.050   0.830  11.581
  103   HG11  VAL  14          HG11      VAL  14  23.108   1.318  13.995
  104   HG12  VAL  14          HG12      VAL  14  21.343   1.129  14.101
  105   HG13  VAL  14          HG13      VAL  14  22.380  -0.264  13.725
  106   HG21  VAL  14          HG23      VAL  14  21.198  -0.812  11.736
  107   HG22  VAL  14          HG21      VAL  14  20.051   0.507  11.991
  108   HG23  VAL  14          HG22      VAL  14  20.908   0.358  10.440
  109    H    ILE  15           H        ILE  15  21.733   3.958  13.965
  110    HA   ILE  15           HA       ILE  15  24.419   5.215  13.751
  111    HB   ILE  15           HB       ILE  15  21.652   6.491  14.016
  112   HG12  ILE  15          HG12      ILE  15  23.876   6.805  11.948
  113   HG13  ILE  15          HG13      ILE  15  22.308   6.028  11.703
  114   HG21  ILE  15          HG21      ILE  15  23.140   7.574  15.629
  115   HG22  ILE  15          HG22      ILE  15  24.341   7.886  14.350
  116   HG23  ILE  15          HG23      ILE  15  22.742   8.669  14.332
  117   HD11  ILE  15          HD13      ILE  15  22.179   8.143  10.671
  118   HD12  ILE  15          HD11      ILE  15  21.201   8.245  12.154
  119   HD13  ILE  15          HD12      ILE  15  22.828   8.972  12.091
  120    H    HIS  16           H        HIS  16  25.328   5.598  15.828
  121    HA   HIS  16           HA       HIS  16  24.350   3.894  17.911
  122    HB2  HIS  16           HB2      HIS  16  26.756   4.581  17.409
  123    HB3  HIS  16           HB3      HIS  16  26.403   6.131  18.172
  124    HD1  HIS  16           HD1      HIS  16  25.766   2.422  19.247
  125    HD2  HIS  16           HD2      HIS  16  27.422   6.072  20.576
  126    HE1  HIS  16           HE1      HIS  16  26.658   1.999  21.602
  127    H    SER  17           H        SER  17  24.492   7.478  17.605
  128    HA   SER  17           HA       SER  17  21.856   7.786  18.730
  129    HB2  SER  17           HB2      SER  17  22.748   9.479  20.459
  130    HB3  SER  17           HB3      SER  17  22.900   7.765  20.853
  131    HG   SER  17           HG       SER  17  24.812   8.950  21.302
  132    H    ALA  18           H        ALA  18  21.027   9.847  18.046
  133    HA   ALA  18           HA       ALA  18  22.557  11.277  15.990
  134    HB1  ALA  18           HB3      ALA  18  20.621  12.847  16.055
  135    HB2  ALA  18           HB1      ALA  18  20.136  11.174  15.748
  136    HB3  ALA  18           HB2      ALA  18  19.903  11.895  17.367
  137    H    LYS  19           H        LYS  19  23.402  13.399  16.282
  138    HA   LYS  19           HA       LYS  19  24.680  13.906  18.757
  139    HB2  LYS  19           HB2      LYS  19  25.494  14.700  16.585
  140    HB3  LYS  19           HB3      LYS  19  24.096  15.782  16.429
  141    HG2  LYS  19           HG2      LYS  19  24.847  17.153  18.271
  142    HG3  LYS  19           HG3      LYS  19  26.079  15.968  18.732
  143    HD2  LYS  19           HD2      LYS  19  27.068  17.907  17.591
  144    HD3  LYS  19           HD3      LYS  19  27.350  16.401  16.703
  145    HE2  LYS  19           HE2      LYS  19  25.481  16.958  15.162
  146    HE3  LYS  19           HE3      LYS  19  25.184  18.459  16.050
  147    HZ1  LYS  19           HZ3      LYS  19  26.521  18.783  14.052
  148    HZ2  LYS  19           HZ1      LYS  19  27.377  19.217  15.373
  149    HZ3  LYS  19           HZ2      LYS  19  27.692  17.803  14.611
  150    H    ASP  20           H        ASP  20  21.605  15.202  17.418
  151    HA   ASP  20           HA       ASP  20  20.597  15.801  20.037
  152    HB2  ASP  20           HB2      ASP  20  20.436  18.109  19.972
  153    HB3  ASP  20           HB3      ASP  20  22.067  17.875  19.366
  154    H    TRP  21           H        TRP  21  18.363  17.060  19.598
  155    HA   TRP  21           HA       TRP  21  16.731  15.359  18.075
  156    HB2  TRP  21           HB2      TRP  21  15.034  17.277  18.395
  157    HB3  TRP  21           HB3      TRP  21  15.648  16.400  19.774
  158    HD1  TRP  21           HD1      TRP  21  17.556  19.384  18.270
  159    HE1  TRP  21           HE1      TRP  21  17.760  21.234  19.960
  160    HE3  TRP  21           HE3      TRP  21  14.541  17.439  21.915
  161    HZ2  TRP  21           HZ2      TRP  21  16.678  21.881  22.562
  162    HZ3  TRP  21           HZ3      TRP  21  14.118  18.721  23.983
  163    HH2  TRP  21           HH2      TRP  21  15.179  20.946  24.323
  164    H    GLN  22           H        GLN  22  18.467  18.281  16.948
  165    HA   GLN  22           HA       GLN  22  16.797  18.517  14.554
  166    HB2  GLN  22           HB2      GLN  22  19.437  19.776  15.401
  167    HB3  GLN  22           HB3      GLN  22  18.640  20.143  13.885
  168    HG2  GLN  22           HG2      GLN  22  16.775  21.171  14.931
  169    HG3  GLN  22           HG3      GLN  22  17.156  20.507  16.508
  170   HE21  GLN  22          HE22      GLN  22  19.516  21.122  17.327
  171   HE22  GLN  22          HE21      GLN  22  19.881  22.836  17.170
  172    H    GLU  23           H        GLU  23  20.084  17.255  15.403
  173    HA   GLU  23           HA       GLU  23  20.722  16.473  12.762
  174    HB2  GLU  23           HB2      GLU  23  22.227  16.690  14.891
  175    HB3  GLU  23           HB3      GLU  23  21.713  15.040  15.240
  176    HG2  GLU  23           HG2      GLU  23  23.711  14.730  14.105
  177    HG3  GLU  23           HG3      GLU  23  22.549  14.528  12.800
  178    H    ALA  24           H        ALA  24  18.748  14.844  15.257
  179    HA   ALA  24           HA       ALA  24  18.586  12.306  13.954
  180    HB1  ALA  24           HB3      ALA  24  16.509  12.007  15.237
  181    HB2  ALA  24           HB1      ALA  24  17.791  12.685  16.254
  182    HB3  ALA  24           HB2      ALA  24  16.491  13.734  15.649
  183    H    ILE  25           H        ILE  25  16.722  15.356  13.444
  184    HA   ILE  25           HA       ILE  25  14.972  14.166  11.465
  185    HB   ILE  25           HB       ILE  25  15.700  17.111  11.714
  186   HG12  ILE  25          HG12      ILE  25  13.952  15.383  13.429
  187   HG13  ILE  25          HG13      ILE  25  14.940  16.786  13.830
  188   HG21  ILE  25          HG21      ILE  25  14.517  16.331   9.613
  189   HG22  ILE  25          HG22      ILE  25  13.165  15.826  10.630
  190   HG23  ILE  25          HG23      ILE  25  13.656  17.537  10.547
  191   HD11  ILE  25          HD13      ILE  25  12.679  17.387  14.217
  192   HD12  ILE  25          HD11      ILE  25  13.165  18.231  12.734
  193   HD13  ILE  25          HD12      ILE  25  12.164  16.758  12.648
  194    H    ASP  26           H        ASP  26  18.103  15.969  11.365
  195    HA   ASP  26           HA       ASP  26  18.315  16.083   8.548
  196    HB2  ASP  26           HB2      ASP  26  19.789  17.334  10.069
  197    HB3  ASP  26           HB3      ASP  26  20.560  15.828  10.576
  198    H    PHE  27           H        PHE  27  19.548  13.494  10.787
  199    HA   PHE  27           HA       PHE  27  20.491  11.851   8.654
  200    HB2  PHE  27           HB2      PHE  27  19.742  11.280  11.535
  201    HB3  PHE  27           HB3      PHE  27  20.260  10.010  10.440
  202    HD1  PHE  27           HD1      PHE  27  22.467  10.759   8.944
  203    HD2  PHE  27           HD2      PHE  27  21.504  11.939  12.984
  204    HE1  PHE  27           HE1      PHE  27  24.873  11.093   9.421
  205    HE2  PHE  27           HE2      PHE  27  23.923  12.239  13.461
  206    HZ   PHE  27           HZ       PHE  27  25.609  11.826  11.681
  207    H    SER  28           H        SER  28  17.210  12.400   9.759
  208    HA   SER  28           HA       SER  28  16.181   9.942   8.520
  209    HB2  SER  28           HB2      SER  28  14.712  12.416   9.511
  210    HB3  SER  28           HB3      SER  28  14.003  10.854   9.073
  211    HG   SER  28           HG       SER  28  15.788  11.429  11.221
  212    H    MET  29           H        MET  29  17.358  12.910   7.310
  213    HA   MET  29           HA       MET  29  15.538  12.851   4.928
  214    HB2  MET  29           HB2      MET  29  16.748  15.146   6.507
  215    HB3  MET  29           HB3      MET  29  15.848  15.330   5.006
  216    HG2  MET  29           HG2      MET  29  14.576  14.042   7.447
  217    HG3  MET  29           HG3      MET  29  14.678  15.778   7.240
  218    HE1  MET  29           HE3      MET  29  11.654  13.027   5.251
  219    HE2  MET  29           HE1      MET  29  13.357  12.542   5.143
  220    HE3  MET  29           HE2      MET  29  12.591  12.751   6.736
  221    H    VAL  30           H        VAL  30  18.900  13.187   6.048
  222    HA   VAL  30           HA       VAL  30  19.952  14.547   3.918
  223    HB   VAL  30           HB       VAL  30  21.068  14.127   6.035
  224   HG11  VAL  30          HG11      VAL  30  20.548  11.693   6.322
  225   HG12  VAL  30          HG12      VAL  30  21.736  11.320   5.057
  226   HG13  VAL  30          HG13      VAL  30  22.254  12.087   6.568
  227   HG21  VAL  30          HG23      VAL  30  23.345  13.922   5.225
  228   HG22  VAL  30          HG21      VAL  30  22.780  13.219   3.696
  229   HG23  VAL  30          HG22      VAL  30  22.380  14.900   4.107
  230    H    SER  31           H        SER  31  19.369  10.990   4.053
  231    HA   SER  31           HA       SER  31  20.662  10.388   1.626
  232    HB2  SER  31           HB2      SER  31  18.232   9.024   2.841
  233    HB3  SER  31           HB3      SER  31  19.452   8.314   1.763
  234    HG   SER  31           HG       SER  31  20.384   7.789   3.566
  235    H    LEU  32           H        LEU  32  17.558  11.954   2.166
  236    HA   LEU  32           HA       LEU  32  16.635  11.474  -0.608
  237    HB2  LEU  32           HB2      LEU  32  15.481  12.918   1.818
  238    HB3  LEU  32           HB3      LEU  32  14.741  13.051   0.245
  239    HG   LEU  32           HG       LEU  32  15.249  10.371   1.590
  240   HD11  LEU  32          HD11      LEU  32  13.771  11.708   3.020
  241   HD12  LEU  32          HD12      LEU  32  12.707  12.055   1.642
  242   HD13  LEU  32          HD13      LEU  32  12.872  10.394   2.254
  243   HD21  LEU  32          HD23      LEU  32  13.610   9.488   0.052
  244   HD22  LEU  32          HD21      LEU  32  13.310  11.091  -0.645
  245   HD23  LEU  32          HD22      LEU  32  14.872  10.273  -0.878
  246    H    LEU  33           H        LEU  33  17.879  14.075   1.510
  247    HA   LEU  33           HA       LEU  33  17.851  16.191  -0.366
  248    HB2  LEU  33           HB2      LEU  33  18.270  16.390   2.095
  249    HB3  LEU  33           HB3      LEU  33  19.824  15.589   1.875
  250    HG   LEU  33           HG       LEU  33  20.593  17.485   0.438
  251   HD11  LEU  33          HD11      LEU  33  18.445  18.366  -0.367
  252   HD12  LEU  33          HD12      LEU  33  17.957  18.772   1.294
  253   HD13  LEU  33          HD13      LEU  33  19.312  19.618   0.516
  254   HD21  LEU  33          HD23      LEU  33  20.919  19.044   2.300
  255   HD22  LEU  33          HD21      LEU  33  19.610  18.264   3.217
  256   HD23  LEU  33          HD22      LEU  33  21.104  17.376   2.848
  257    H    ASP  34           H        ASP  34  20.304  13.659   0.256
  258    HA   ASP  34           HA       ASP  34  22.349  14.615  -1.373
  259    HB2  ASP  34           HB2      ASP  34  22.586  12.826   0.295
  260    HB3  ASP  34           HB3      ASP  34  21.619  11.740  -0.708
  261    H    LYS  35           H        LYS  35  19.399  12.952  -2.388
  262    HA   LYS  35           HA       LYS  35  20.457  12.849  -5.190
  263    HB2  LYS  35           HB2      LYS  35  17.910  11.496  -4.494
  264    HB3  LYS  35           HB3      LYS  35  19.079  11.091  -5.719
  265    HG2  LYS  35           HG2      LYS  35  19.307  10.533  -2.738
  266    HG3  LYS  35           HG3      LYS  35  18.875   9.370  -3.981
  267    HD2  LYS  35           HD2      LYS  35  21.111   9.559  -4.999
  268    HD3  LYS  35           HD3      LYS  35  21.565  10.780  -3.790
  269    HE2  LYS  35           HE2      LYS  35  20.964   9.077  -1.992
  270    HE3  LYS  35           HE3      LYS  35  20.807   7.866  -3.274
  271    HZ1  LYS  35           HZ3      LYS  35  22.985   7.832  -2.246
  272    HZ2  LYS  35           HZ1      LYS  35  23.152   8.286  -3.817
  273    HZ3  LYS  35           HZ2      LYS  35  23.242   9.417  -2.613
  274    H    ASN  36           H        ASN  36  19.181  15.109  -3.455
  275    HA   ASN  36           HA       ASN  36  17.582  16.621  -3.452
  276    HB2  ASN  36           HB2      ASN  36  17.322  17.976  -5.423
  277    HB3  ASN  36           HB3      ASN  36  18.992  17.542  -5.142
  278   HD21  ASN  36          HD22      ASN  36  20.111  16.276  -6.723
  279   HD22  ASN  36          HD21      ASN  36  19.410  15.932  -8.281
  280    H    TYR  37           H        TYR  37  16.367  14.154  -3.150
  281    HA   TYR  37           HA       TYR  37  13.782  14.272  -4.523
  282    HB2  TYR  37           HB2      TYR  37  14.710  13.050  -1.908
  283    HB3  TYR  37           HB3      TYR  37  13.019  13.094  -2.365
  284    HD1  TYR  37           HD2      TYR  37  16.284  11.559  -3.096
  285    HD2  TYR  37           HD1      TYR  37  12.087  11.597  -3.996
  286    HE1  TYR  37           HE2      TYR  37  16.565   9.509  -4.481
  287    HE2  TYR  37           HE1      TYR  37  12.362   9.598  -5.438
  288    HH   TYR  37           HH       TYR  37  15.532   8.026  -5.975
  289    H    ILE  38           H        ILE  38  15.436  16.172  -2.107
  290    HA   ILE  38           HA       ILE  38  13.089  17.882  -1.692
  291    HB   ILE  38           HB       ILE  38  13.493  17.958   0.729
  292   HG12  ILE  38          HG12      ILE  38  15.476  15.684   0.288
  293   HG13  ILE  38          HG13      ILE  38  15.879  17.328   0.790
  294   HG21  ILE  38          HG21      ILE  38  11.822  16.338  -0.253
  295   HG22  ILE  38          HG22      ILE  38  13.040  15.058  -0.060
  296   HG23  ILE  38          HG23      ILE  38  12.400  15.917   1.351
  297   HD11  ILE  38          HD13      ILE  38  15.960  15.882   2.699
  298   HD12  ILE  38          HD11      ILE  38  14.585  16.985   2.887
  299   HD13  ILE  38          HD12      ILE  38  14.323  15.284   2.419
  300    H    SER  39           H        SER  39  13.746  19.973  -0.797
  301    HA   SER  39           HA       SER  39  16.553  20.803  -1.316
  302    HB2  SER  39           HB2      SER  39  14.041  22.415  -0.666
  303    HB3  SER  39           HB3      SER  39  15.617  23.072  -1.138
  304    HG   SER  39           HG       SER  39  14.142  22.979  -2.885
  305    H    GLU  40           H        GLU  40  17.523  22.228   0.425
  306    HA   GLU  40           HA       GLU  40  17.604  20.962   2.911
  307    HB2  GLU  40           HB2      GLU  40  18.373  23.800   2.133
  308    HB3  GLU  40           HB3      GLU  40  18.765  23.057   3.690
  309    HG2  GLU  40           HG2      GLU  40  20.010  21.256   2.532
  310    HG3  GLU  40           HG3      GLU  40  19.663  22.012   0.973
  311    H    ASN  41           H        ASN  41  15.573  23.704   1.901
  312    HA   ASN  41           HA       ASN  41  14.676  24.562   4.423
  313    HB2  ASN  41           HB2      ASN  41  14.262  25.745   2.262
  314    HB3  ASN  41           HB3      ASN  41  13.077  24.507   1.824
  315   HD21  ASN  41          HD22      ASN  41  10.941  24.654   2.749
  316   HD22  ASN  41          HD21      ASN  41  10.501  25.954   3.831
  317    H    TYR  42           H        TYR  42  13.701  21.702   2.571
  318    HA   TYR  42           HA       TYR  42  11.173  21.227   3.783
  319    HB2  TYR  42           HB2      TYR  42  12.075  20.143   1.716
  320    HB3  TYR  42           HB3      TYR  42  13.223  19.255   2.706
  321    HD1  TYR  42           HD1      TYR  42   9.628  19.629   1.840
  322    HD2  TYR  42           HD2      TYR  42  12.559  17.300   3.986
  323    HE1  TYR  42           HE1      TYR  42   7.995  17.784   2.068
  324    HE2  TYR  42           HE2      TYR  42  10.936  15.440   4.177
  325    HH   TYR  42           HH       TYR  42   8.862  14.621   3.544
  326    H    ILE  43           H        ILE  43  14.513  20.224   4.703
  327    HA   ILE  43           HA       ILE  43  13.705  18.638   6.961
  328    HB   ILE  43           HB       ILE  43  16.370  20.068   6.497
  329   HG12  ILE  43          HG12      ILE  43  16.928  17.481   5.887
  330   HG13  ILE  43          HG13      ILE  43  15.252  17.527   5.332
  331   HG21  ILE  43          HG21      ILE  43  15.977  19.224   8.817
  332   HG22  ILE  43          HG22      ILE  43  15.740  17.596   8.160
  333   HG23  ILE  43          HG23      ILE  43  17.312  18.405   7.995
  334   HD11  ILE  43          HD13      ILE  43  16.915  17.996   3.548
  335   HD12  ILE  43          HD11      ILE  43  15.844  19.382   3.796
  336   HD13  ILE  43          HD12      ILE  43  17.498  19.394   4.462
  337    H    GLN  44           H        GLN  44  14.776  22.060   6.558
  338    HA   GLN  44           HA       GLN  44  14.758  22.594   9.327
  339    HB2  GLN  44           HB2      GLN  44  15.911  23.910   7.456
  340    HB3  GLN  44           HB3      GLN  44  14.351  24.676   7.149
  341    HG2  GLN  44           HG2      GLN  44  15.743  26.090   8.595
  342    HG3  GLN  44           HG3      GLN  44  14.317  25.553   9.468
  343   HE21  GLN  44          HE22      GLN  44  14.931  25.283  11.617
  344   HE22  GLN  44          HE21      GLN  44  16.390  24.481  12.141
  345    H    ALA  45           H        ALA  45  12.088  22.756   6.959
  346    HA   ALA  45           HA       ALA  45  10.225  24.133   8.587
  347    HB1  ALA  45           HB3      ALA  45   8.520  23.049   7.182
  348    HB2  ALA  45           HB1      ALA  45   9.875  23.619   6.188
  349    HB3  ALA  45           HB2      ALA  45   9.718  21.890   6.575
  350    H    ILE  46           H        ILE  46  11.105  20.635   8.513
  351    HA   ILE  46           HA       ILE  46   9.089  19.857  10.419
  352    HB   ILE  46           HB       ILE  46  11.731  18.440   9.943
  353   HG12  ILE  46          HG12      ILE  46   9.197  17.898   8.364
  354   HG13  ILE  46          HG13      ILE  46  10.500  18.886   7.743
  355   HG21  ILE  46          HG21      ILE  46  10.229  17.690  11.861
  356   HG22  ILE  46          HG22      ILE  46   8.970  17.335  10.674
  357   HG23  ILE  46          HG23      ILE  46  10.504  16.438  10.656
  358   HD11  ILE  46          HD13      ILE  46  10.725  16.660   6.858
  359   HD12  ILE  46          HD11      ILE  46  12.090  17.015   7.935
  360   HD13  ILE  46          HD12      ILE  46  10.773  15.958   8.483
  361    H    LYS  47           H        LYS  47  12.586  20.725  10.682
  362    HA   LYS  47           HA       LYS  47  12.849  20.323  13.488
  363    HB2  LYS  47           HB2      LYS  47  14.233  22.305  11.631
  364    HB3  LYS  47           HB3      LYS  47  14.705  22.034  13.305
  365    HG2  LYS  47           HG2      LYS  47  15.356  19.746  12.855
  366    HG3  LYS  47           HG3      LYS  47  14.718  19.826  11.201
  367    HD2  LYS  47           HD2      LYS  47  16.333  21.549  10.596
  368    HD3  LYS  47           HD3      LYS  47  16.936  21.636  12.258
  369    HE2  LYS  47           HE2      LYS  47  17.808  19.347  12.096
  370    HE3  LYS  47           HE3      LYS  47  17.115  19.149  10.495
  371    HZ1  LYS  47           HZ3      LYS  47  19.478  19.735  10.390
  372    HZ2  LYS  47           HZ1      LYS  47  18.594  20.916   9.695
  373    HZ3  LYS  47           HZ2      LYS  47  19.222  21.133  11.184
  374    H    ASP  48           H        ASP  48  11.969  23.320  11.690
  375    HA   ASP  48           HA       ASP  48  11.710  24.961  13.980
  376    HB2  ASP  48           HB2      ASP  48  11.915  25.846  11.716
  377    HB3  ASP  48           HB3      ASP  48  10.369  25.125  11.256
  378    H    SER  49           H        SER  49   9.251  22.958  12.266
  379    HA   SER  49           HA       SER  49   7.037  23.736  13.900
  380    HB2  SER  49           HB2      SER  49   7.537  21.087  12.478
  381    HB3  SER  49           HB3      SER  49   5.983  21.730  13.033
  382    HG   SER  49           HG       SER  49   7.674  22.670  10.951
  383    H    THR  50           H        THR  50   9.458  21.115  14.204
  384    HA   THR  50           HA       THR  50   8.333  19.835  16.466
  385    HB   THR  50           HB       THR  50  11.180  19.985  15.402
  386    HG1  THR  50           HG1      THR  50   9.828  19.081  13.954
  387   HG21  THR  50          HG23      THR  50  11.520  17.828  16.588
  388   HG22  THR  50          HG21      THR  50  11.348  19.212  17.666
  389   HG23  THR  50          HG22      THR  50   9.980  18.089  17.452
  390    H    ILE  51           H        ILE  51  10.759  22.498  16.207
  391    HA   ILE  51           HA       ILE  51  11.105  22.799  19.029
  392    HB   ILE  51           HB       ILE  51  11.545  24.637  16.645
  393   HG12  ILE  51          HG12      ILE  51  13.598  23.233  18.418
  394   HG13  ILE  51          HG13      ILE  51  12.930  22.462  16.993
  395   HG21  ILE  51          HG21      ILE  51  11.245  26.094  18.606
  396   HG22  ILE  51          HG22      ILE  51  12.403  25.117  19.535
  397   HG23  ILE  51          HG23      ILE  51  12.935  26.071  18.134
  398   HD11  ILE  51          HD13      ILE  51  15.039  23.429  16.397
  399   HD12  ILE  51          HD11      ILE  51  13.758  24.338  15.572
  400   HD13  ILE  51          HD12      ILE  51  14.568  25.022  17.004
  401    H    ASN  52           H        ASN  52   8.798  24.315  16.706
  402    HA   ASN  52           HA       ASN  52   7.767  26.200  18.592
  403    HB2  ASN  52           HB2      ASN  52   6.879  25.196  15.884
  404    HB3  ASN  52           HB3      ASN  52   5.718  26.059  16.874
  405   HD21  ASN  52          HD22      ASN  52   8.908  26.382  15.326
  406   HD22  ASN  52          HD21      ASN  52   8.914  28.131  15.314
  407    H    ASN  53           H        ASN  53   6.781  22.856  17.866
  408    HA   ASN  53           HA       ASN  53   4.634  23.061  19.953
  409    HB2  ASN  53           HB2      ASN  53   3.550  23.433  17.809
  410    HB3  ASN  53           HB3      ASN  53   4.400  22.072  17.081
  411   HD21  ASN  53          HD22      ASN  53   2.914  20.432  16.727
  412   HD22  ASN  53          HD21      ASN  53   1.705  19.928  17.875
  413    H    GLY  54           H        GLY  54   6.168  20.715  17.670
  414    HA2  GLY  54           HA2      GLY  54   7.523  19.024  19.265
  415    HA3  GLY  54           HA3      GLY  54   5.849  18.516  19.567
  416    HA   PRO  55           HA       PRO  55   7.478  16.708  15.483
  417    HB2  PRO  55           HB2      PRO  55   7.379  14.031  16.158
  418    HB3  PRO  55           HB3      PRO  55   8.820  15.066  16.358
  419    HG2  PRO  55           HG2      PRO  55   6.767  14.305  18.452
  420    HG3  PRO  55           HG3      PRO  55   8.550  14.317  18.600
  421    HD2  PRO  55           HD2      PRO  55   6.984  16.358  19.520
  422    HD3  PRO  55           HD3      PRO  55   8.597  16.669  18.817
  423    H    TYR  56           H        TYR  56   5.822  16.542  14.013
  424    HA   TYR  56           HA       TYR  56   3.094  16.405  14.796
  425    HB2  TYR  56           HB2      TYR  56   4.337  15.797  12.076
  426    HB3  TYR  56           HB3      TYR  56   2.632  16.041  12.383
  427    HD1  TYR  56           HD1      TYR  56   1.760  18.296  13.093
  428    HD2  TYR  56           HD2      TYR  56   5.768  17.656  11.617
  429    HE1  TYR  56           HE1      TYR  56   1.886  20.674  12.412
  430    HE2  TYR  56           HE2      TYR  56   5.895  20.019  10.919
  431    HH   TYR  56           HH       TYR  56   4.835  22.095  10.936
  432    H    TYR  57           H        TYR  57   5.271  13.917  13.382
  433    HA   TYR  57           HA       TYR  57   3.005  11.984  13.356
  434    HB2  TYR  57           HB2      TYR  57   5.506  12.199  11.661
  435    HB3  TYR  57           HB3      TYR  57   4.358  10.871  11.602
  436    HD1  TYR  57           HD1      TYR  57   2.209  13.650  11.945
  437    HD2  TYR  57           HD2      TYR  57   4.887  11.763   9.139
  438    HE1  TYR  57           HE1      TYR  57   1.063  14.786  10.092
  439    HE2  TYR  57           HE2      TYR  57   3.673  12.797   7.271
  440    HH   TYR  57           HH       TYR  57   1.973  14.305   6.654
  441    H    ILE  58           H        ILE  58   3.229  11.248  15.441
  442    HA   ILE  58           HA       ILE  58   5.538   9.422  15.925
  443    HB   ILE  58           HB       ILE  58   3.683  10.794  17.924
  444   HG12  ILE  58          HG12      ILE  58   5.314  12.406  17.204
  445   HG13  ILE  58          HG13      ILE  58   5.723  11.864  18.815
  446   HG21  ILE  58          HG21      ILE  58   4.162   8.573  18.740
  447   HG22  ILE  58          HG22      ILE  58   5.892   8.748  18.405
  448   HG23  ILE  58          HG23      ILE  58   5.119   9.726  19.670
  449   HD11  ILE  58          HD13      ILE  58   7.789  11.983  17.651
  450   HD12  ILE  58          HD11      ILE  58   7.414  10.254  17.684
  451   HD13  ILE  58          HD12      ILE  58   7.125  11.199  16.213
  452    H    LEU  59           H        LEU  59   4.931   7.300  15.936
  453    HA   LEU  59           HA       LEU  59   2.026   6.766  15.367
  454    HB2  LEU  59           HB2      LEU  59   4.517   5.392  14.270
  455    HB3  LEU  59           HB3      LEU  59   2.873   4.851  14.022
  456    HG   LEU  59           HG       LEU  59   3.481   5.888  12.050
  457   HD11  LEU  59          HD11      LEU  59   1.200   6.478  12.827
  458   HD12  LEU  59          HD12      LEU  59   1.832   8.014  13.465
  459   HD13  LEU  59          HD13      LEU  59   1.899   7.676  11.725
  460   HD21  LEU  59          HD23      LEU  59   4.424   8.053  11.732
  461   HD22  LEU  59          HD21      LEU  59   4.299   8.459  13.441
  462   HD23  LEU  59          HD22      LEU  59   5.433   7.200  12.911
  463    H    ALA  60           H        ALA  60   4.805   5.786  17.290
  464    HA   ALA  60           HA       ALA  60   3.110   4.257  19.045
  465    HB1  ALA  60           HB3      ALA  60   4.508   2.183  18.918
  466    HB2  ALA  60           HB1      ALA  60   3.686   2.486  17.381
  467    HB3  ALA  60           HB2      ALA  60   5.410   2.877  17.562
  468    HA   PRO  61           HA       PRO  61   6.208   5.807  21.928
  469    HB2  PRO  61           HB2      PRO  61   6.459   2.940  22.871
  470    HB3  PRO  61           HB3      PRO  61   6.331   4.442  23.838
  471    HG2  PRO  61           HG2      PRO  61   4.159   2.879  23.490
  472    HG3  PRO  61           HG3      PRO  61   4.011   4.662  23.343
  473    HD2  PRO  61           HD2      PRO  61   4.232   2.603  21.142
  474    HD3  PRO  61           HD3      PRO  61   3.153   4.028  21.253
  475    H    GLY  62           H        GLY  62   8.135   6.396  21.071
  476    HA2  GLY  62           HA2      GLY  62  10.402   6.122  20.698
  477    HA3  GLY  62           HA3      GLY  62  10.209   4.378  20.578
  478    H    VAL  63           H        VAL  63   7.870   5.835  18.522
  479    HA   VAL  63           HA       VAL  63   9.672   5.445  16.179
  480    HB   VAL  63           HB       VAL  63   6.809   4.482  16.509
  481   HG11  VAL  63          HG11      VAL  63   7.359   4.968  14.174
  482   HG12  VAL  63          HG12      VAL  63   8.856   4.024  14.297
  483   HG13  VAL  63          HG13      VAL  63   7.270   3.228  14.415
  484   HG21  VAL  63          HG23      VAL  63   7.815   2.179  16.499
  485   HG22  VAL  63          HG21      VAL  63   9.419   2.917  16.695
  486   HG23  VAL  63          HG22      VAL  63   8.183   3.100  17.951
  487    H    ALA  64           H        ALA  64   9.630   7.037  14.717
  488    HA   ALA  64           HA       ALA  64   7.357   8.957  14.645
  489    HB1  ALA  64           HB3      ALA  64   8.965  10.794  14.516
  490    HB2  ALA  64           HB1      ALA  64   9.287   9.860  15.989
  491    HB3  ALA  64           HB2      ALA  64  10.325   9.655  14.558
  492    H    MET  65           H        MET  65   7.451  10.325  12.633
  493    HA   MET  65           HA       MET  65   8.854   9.045  10.358
  494    HB2  MET  65           HB2      MET  65   6.572   8.074  10.571
  495    HB3  MET  65           HB3      MET  65   5.902   9.693  10.399
  496    HG2  MET  65           HG2      MET  65   7.566   9.456   8.168
  497    HG3  MET  65           HG3      MET  65   6.962   7.822   8.377
  498    HE1  MET  65           HE3      MET  65   2.984   8.642   8.198
  499    HE2  MET  65           HE1      MET  65   4.180   7.504   8.844
  500    HE3  MET  65           HE2      MET  65   3.860   9.040   9.682
  501    HA   PRO  66           HA       PRO  66   9.285  13.721  10.506
  502    HB2  PRO  66           HB2      PRO  66  11.879  12.850   9.213
  503    HB3  PRO  66           HB3      PRO  66  11.569  14.214  10.333
  504    HG2  PRO  66           HG2      PRO  66  12.645  11.930  11.286
  505    HG3  PRO  66           HG3      PRO  66  11.326  12.730  12.196
  506    HD2  PRO  66           HD2      PRO  66  11.133  10.372  10.303
  507    HD3  PRO  66           HD3      PRO  66  10.407  10.580  11.925
  508    H    HIS  67           H        HIS  67   8.250  14.820   8.939
  509    HA   HIS  67           HA       HIS  67   8.697  14.517   6.082
  510    HB2  HIS  67           HB2      HIS  67   7.233  12.620   6.383
  511    HB3  HIS  67           HB3      HIS  67   6.229  13.481   7.537
  512    HD1  HIS  67           HD1      HIS  67   4.393  15.195   6.534
  513    HD2  HIS  67           HD2      HIS  67   6.660  13.010   3.751
  514    HE1  HIS  67           HE1      HIS  67   3.175  15.373   4.303
  515    H    ALA  68           H        ALA  68   7.507  16.260   4.968
  516    HA   ALA  68           HA       ALA  68   5.980  18.175   6.574
  517    HB1  ALA  68           HB3      ALA  68   7.216  20.099   5.607
  518    HB2  ALA  68           HB1      ALA  68   8.256  19.135   6.654
  519    HB3  ALA  68           HB2      ALA  68   8.401  18.990   4.890
  520    H    ARG  69           H        ARG  69   4.842  19.730   4.931
  521    HA   ARG  69           HA       ARG  69   3.549  18.079   2.988
  522    HB2  ARG  69           HB2      ARG  69   3.579  21.131   3.127
  523    HB3  ARG  69           HB3      ARG  69   2.451  20.136   2.204
  524    HG2  ARG  69           HG2      ARG  69   1.763  19.060   4.446
  525    HG3  ARG  69           HG3      ARG  69   2.676  20.371   5.224
  526    HD2  ARG  69           HD2      ARG  69   1.280  22.005   3.845
  527    HD3  ARG  69           HD3      ARG  69   0.292  20.615   3.349
  528    HE   ARG  69           HE       ARG  69   0.574  20.808   6.224
  529   HH11  ARG  69          HH11      ARG  69  -1.274  22.076   3.473
  530   HH12  ARG  69          HH12      ARG  69  -2.597  22.629   4.428
  531   HH21  ARG  69          HH21      ARG  69  -1.178  21.571   7.510
  532   HH22  ARG  69          HH22      ARG  69  -2.537  22.334   6.777
  533    HA   PRO  70           HA       PRO  70   6.126  18.169  -0.604
  534    HB2  PRO  70           HB2      PRO  70   3.693  19.291  -2.038
  535    HB3  PRO  70           HB3      PRO  70   4.836  18.043  -2.605
  536    HG2  PRO  70           HG2      PRO  70   2.458  17.320  -1.526
  537    HG3  PRO  70           HG3      PRO  70   3.941  16.434  -1.051
  538    HD2  PRO  70           HD2      PRO  70   2.457  18.570   0.470
  539    HD3  PRO  70           HD3      PRO  70   3.256  17.086   1.072
  540    H    GLU  71           H        GLU  71   3.994  21.048  -0.374
  541    HA   GLU  71           HA       GLU  71   5.682  22.805  -1.807
  542    HB2  GLU  71           HB2      GLU  71   4.169  24.578  -0.780
  543    HB3  GLU  71           HB3      GLU  71   3.426  23.321  -1.762
  544    HG2  GLU  71           HG2      GLU  71   2.614  22.148   0.222
  545    HG3  GLU  71           HG3      GLU  71   3.486  23.259   1.280
  546    H    CYS  72           H        CYS  72   6.232  21.616   1.385
  547    HA   CYS  72           HA       CYS  72   7.658  23.981   2.334
  548    HB2  CYS  72           HB2      CYS  72   7.742  21.084   3.285
  549    HB3  CYS  72           HB3      CYS  72   8.486  22.474   4.093
  550    HG   CYS  72           HG       CYS  72   6.395  21.987   5.465
  551    H    GLY  73           H        GLY  73   8.368  21.605  -0.059
  552    HA2  GLY  73           HA2      GLY  73  10.366  22.524  -1.294
  553    HA3  GLY  73           HA3      GLY  73  11.303  22.206   0.166
  554    H    ALA  74           H        ALA  74   8.777  19.922  -0.975
  555    HA   ALA  74           HA       ALA  74  10.853  17.876  -1.420
  556    HB1  ALA  74           HB3      ALA  74   8.971  16.411  -1.938
  557    HB2  ALA  74           HB1      ALA  74   8.667  17.237  -0.395
  558    HB3  ALA  74           HB2      ALA  74   7.858  17.790  -1.886
  559    H    LEU  75           H        LEU  75  11.122  16.911  -3.483
  560    HA   LEU  75           HA       LEU  75  10.426  18.615  -5.850
  561    HB2  LEU  75           HB2      LEU  75  13.064  17.271  -5.165
  562    HB3  LEU  75           HB3      LEU  75  12.732  18.144  -6.651
  563    HG   LEU  75           HG       LEU  75  12.773  19.405  -3.868
  564   HD11  LEU  75          HD11      LEU  75  14.990  18.632  -4.505
  565   HD12  LEU  75          HD12      LEU  75  14.858  19.427  -6.088
  566   HD13  LEU  75          HD13      LEU  75  14.921  20.392  -4.597
  567   HD21  LEU  75          HD23      LEU  75  12.822  21.552  -5.090
  568   HD22  LEU  75          HD21      LEU  75  12.648  20.692  -6.637
  569   HD23  LEU  75          HD22      LEU  75  11.336  20.667  -5.438
  570    H    LYS  76           H        LYS  76  10.834  15.409  -4.467
  571    HA   LYS  76           HA       LYS  76   9.657  14.115  -6.825
  572    HB2  LYS  76           HB2      LYS  76  12.224  13.132  -5.557
  573    HB3  LYS  76           HB3      LYS  76  11.354  12.352  -6.880
  574    HG2  LYS  76           HG2      LYS  76  11.959  14.307  -8.340
  575    HG3  LYS  76           HG3      LYS  76  12.861  14.994  -6.975
  576    HD2  LYS  76           HD2      LYS  76  13.953  12.488  -7.022
  577    HD3  LYS  76           HD3      LYS  76  13.546  12.675  -8.738
  578    HE2  LYS  76           HE2      LYS  76  14.824  14.813  -8.794
  579    HE3  LYS  76           HE3      LYS  76  15.127  14.677  -7.062
  580    HZ1  LYS  76           HZ3      LYS  76  17.030  13.923  -8.173
  581    HZ2  LYS  76           HZ1      LYS  76  16.354  12.610  -7.529
  582    HZ3  LYS  76           HZ2      LYS  76  16.208  12.885  -9.147
  583    H    THR  77           H        THR  77   9.738  11.490  -5.813
  584    HA   THR  77           HA       THR  77   8.569  11.748  -3.093
  585    HB   THR  77           HB       THR  77   7.602  10.040  -5.411
  586    HG1  THR  77           HG1      THR  77   6.328  11.613  -5.887
  587   HG21  THR  77          HG23      THR  77   5.631   9.579  -4.033
  588   HG22  THR  77          HG21      THR  77   7.085   9.038  -3.196
  589   HG23  THR  77          HG22      THR  77   6.295  10.542  -2.696
  590    H    GLY  78           H        GLY  78   9.437  10.405  -1.565
  591    HA2  GLY  78           HA2      GLY  78  10.520   7.808  -2.126
  592    HA3  GLY  78           HA3      GLY  78  11.807   9.013  -2.000
  593    H    MET  79           H        MET  79  12.158   7.296  -0.133
  594    HA   MET  79           HA       MET  79  11.137   8.440   2.399
  595    HB2  MET  79           HB2      MET  79  11.058   5.523   1.516
  596    HB3  MET  79           HB3      MET  79  10.923   6.012   3.203
  597    HG2  MET  79           HG2      MET  79   8.892   7.284   2.739
  598    HG3  MET  79           HG3      MET  79   8.994   6.858   1.027
  599    HE1  MET  79           HE3      MET  79   6.012   4.609   1.844
  600    HE2  MET  79           HE1      MET  79   6.295   6.286   2.361
  601    HE3  MET  79           HE2      MET  79   6.742   5.768   0.714
  602    H    SER  80           H        SER  80  12.320   7.468   4.269
  603    HA   SER  80           HA       SER  80  15.034   6.443   3.768
  604    HB2  SER  80           HB2      SER  80  14.501   8.673   5.756
  605    HB3  SER  80           HB3      SER  80  16.064   7.971   5.336
  606    HG   SER  80           HG       SER  80  15.418  10.080   4.423
  607    H    LEU  81           H        LEU  81  15.897   5.564   5.944
  608    HA   LEU  81           HA       LEU  81  13.928   5.050   8.073
  609    HB2  LEU  81           HB2      LEU  81  13.414   3.214   6.668
  610    HB3  LEU  81           HB3      LEU  81  15.092   2.989   6.186
  611    HG   LEU  81           HG       LEU  81  15.686   2.017   8.267
  612   HD11  LEU  81          HD11      LEU  81  14.143   3.340   9.824
  613   HD12  LEU  81          HD12      LEU  81  12.832   2.288   9.282
  614   HD13  LEU  81          HD13      LEU  81  14.227   1.615  10.133
  615   HD21  LEU  81          HD23      LEU  81  14.246  -0.012   8.183
  616   HD22  LEU  81          HD21      LEU  81  13.039   0.891   7.270
  617   HD23  LEU  81          HD22      LEU  81  14.636   0.579   6.557
  618    H    THR  82           H        THR  82  15.022   5.481   9.899
  619    HA   THR  82           HA       THR  82  17.959   5.059  10.024
  620    HB   THR  82           HB       THR  82  16.380   7.534  10.849
  621    HG1  THR  82           HG1      THR  82  17.710   8.432   9.075
  622   HG21  THR  82          HG23      THR  82  18.541   8.570  11.247
  623   HG22  THR  82          HG21      THR  82  18.432   7.098  12.212
  624   HG23  THR  82          HG22      THR  82  19.399   7.096  10.724
  625    H    LEU  83           H        LEU  83  18.525   3.996  11.858
  626    HA   LEU  83           HA       LEU  83  16.602   3.933  14.149
  627    HB2  LEU  83           HB2      LEU  83  16.925   1.725  12.936
  628    HB3  LEU  83           HB3      LEU  83  18.641   1.831  13.343
  629    HG   LEU  83           HG       LEU  83  17.867   1.984  15.827
  630   HD11  LEU  83          HD11      LEU  83  15.431   2.414  15.286
  631   HD12  LEU  83          HD12      LEU  83  15.333   0.769  14.643
  632   HD13  LEU  83          HD13      LEU  83  15.703   1.039  16.362
  633   HD21  LEU  83          HD23      LEU  83  17.680  -0.454  16.018
  634   HD22  LEU  83          HD21      LEU  83  17.400  -0.581  14.271
  635   HD23  LEU  83          HD22      LEU  83  18.962   0.003  14.887
  636    H    LEU  84           H        LEU  84  17.423   4.514  16.096
  637    HA   LEU  84           HA       LEU  84  20.287   5.349  16.318
  638    HB2  LEU  84           HB2      LEU  84  17.695   6.447  17.441
  639    HB3  LEU  84           HB3      LEU  84  19.243   6.747  18.227
  640    HG   LEU  84           HG       LEU  84  20.081   8.030  16.417
  641   HD11  LEU  84          HD11      LEU  84  19.255   6.955  14.435
  642   HD12  LEU  84          HD12      LEU  84  17.564   7.285  14.882
  643   HD13  LEU  84          HD13      LEU  84  18.659   8.615  14.428
  644   HD21  LEU  84          HD23      LEU  84  18.381   9.872  16.446
  645   HD22  LEU  84          HD21      LEU  84  17.185   8.739  17.087
  646   HD23  LEU  84          HD22      LEU  84  18.626   9.144  18.042
  647    H    GLU  85           H        GLU  85  21.331   3.819  17.599
  648    HA   GLU  85           HA       GLU  85  19.978   1.743  18.931
  649    HB2  GLU  85           HB2      GLU  85  22.793   2.798  19.434
  650    HB3  GLU  85           HB3      GLU  85  22.146   1.288  20.067
  651    HG2  GLU  85           HG2      GLU  85  21.732   0.511  17.720
  652    HG3  GLU  85           HG3      GLU  85  22.545   1.961  17.126
  653    H    GLN  86           H        GLN  86  21.229   4.821  20.300
  654    HA   GLN  86           HA       GLN  86  19.971   4.135  22.910
  655    HB2  GLN  86           HB2      GLN  86  21.818   6.432  22.180
  656    HB3  GLN  86           HB3      GLN  86  21.241   6.007  23.790
  657    HG2  GLN  86           HG2      GLN  86  22.402   3.761  23.538
  658    HG3  GLN  86           HG3      GLN  86  23.103   4.357  22.031
  659   HE21  GLN  86          HE22      GLN  86  25.314   4.759  22.504
  660   HE22  GLN  86          HE21      GLN  86  25.840   5.678  23.880
  661    H    GLY  87           H        GLY  87  18.918   5.594  20.119
  662    HA2  GLY  87           HA2      GLY  87  17.212   7.013  19.601
  663    HA3  GLY  87           HA3      GLY  87  16.676   6.903  21.275
  664    H    VAL  88           H        VAL  88  16.089   9.223  20.430
  665    HA   VAL  88           HA       VAL  88  17.785  10.890  22.057
  666    HB   VAL  88           HB       VAL  88  18.303  11.028  19.313
  667   HG11  VAL  88          HG11      VAL  88  16.198  12.216  18.824
  668   HG12  VAL  88          HG12      VAL  88  16.667  13.507  19.959
  669   HG13  VAL  88          HG13      VAL  88  17.637  13.201  18.510
  670   HG21  VAL  88          HG23      VAL  88  19.661  12.969  19.859
  671   HG22  VAL  88          HG21      VAL  88  18.792  13.179  21.396
  672   HG23  VAL  88          HG22      VAL  88  19.789  11.732  21.114
  673    H    TYR  89           H        TYR  89  16.579  12.733  22.874
  674    HA   TYR  89           HA       TYR  89  13.700  12.140  22.954
  675    HB2  TYR  89           HB2      TYR  89  15.313  12.573  24.952
  676    HB3  TYR  89           HB3      TYR  89  15.132  14.269  24.547
  677    HD1  TYR  89           HD2      TYR  89  12.674  15.209  24.478
  678    HD2  TYR  89           HD1      TYR  89  13.759  11.448  26.293
  679    HE1  TYR  89           HE2      TYR  89  10.587  15.251  25.796
  680    HE2  TYR  89           HE1      TYR  89  11.695  11.509  27.661
  681    HH   TYR  89           HH       TYR  89   9.278  14.143  27.369
  682    H    PHE  90           H        PHE  90  12.306  13.175  21.622
  683    HA   PHE  90           HA       PHE  90  13.102  15.682  20.256
  684    HB2  PHE  90           HB2      PHE  90  10.844  13.680  19.944
  685    HB3  PHE  90           HB3      PHE  90  10.661  15.320  19.356
  686    HD1  PHE  90           HD2      PHE  90  13.417  12.694  19.175
  687    HD2  PHE  90           HD1      PHE  90  10.977  15.588  17.095
  688    HE1  PHE  90           HE2      PHE  90  14.571  12.160  17.055
  689    HE2  PHE  90           HE1      PHE  90  12.121  15.028  14.980
  690    HZ   PHE  90           HZ       PHE  90  13.939  13.331  14.952
  691    HA   PRO  91           HA       PRO  91  11.234  18.025  23.441
  692    HB2  PRO  91           HB2      PRO  91  10.394  20.330  22.209
  693    HB3  PRO  91           HB3      PRO  91  12.117  19.923  22.462
  694    HG2  PRO  91           HG2      PRO  91  10.447  19.524  19.976
  695    HG3  PRO  91           HG3      PRO  91  12.100  20.207  20.098
  696    HD2  PRO  91           HD2      PRO  91  11.598  17.591  19.414
  697    HD3  PRO  91           HD3      PRO  91  13.046  18.063  20.336
  698    H    GLY  92           H        GLY  92   9.296  18.044  24.477
  699    HA2  GLY  92           HA2      GLY  92   7.051  18.046  24.866
  700    HA3  GLY  92           HA3      GLY  92   6.771  18.420  23.161
  701    H    ASN  93           H        ASN  93   8.591  15.628  22.942
  702    HA   ASN  93           HA       ASN  93   6.193  13.947  22.700
  703    HB2  ASN  93           HB2      ASN  93   8.171  13.767  21.102
  704    HB3  ASN  93           HB3      ASN  93   9.087  13.050  22.437
  705   HD21  ASN  93          HD22      ASN  93   9.062  10.743  22.203
  706   HD22  ASN  93          HD21      ASN  93   7.646   9.865  21.672
  707    H    ASP  94           H        ASP  94   6.129  11.790  23.848
  708    HA   ASP  94           HA       ASP  94   6.366  12.274  26.680
  709    HB2  ASP  94           HB2      ASP  94   4.470  11.098  25.627
  710    HB3  ASP  94           HB3      ASP  94   5.547   9.791  25.129
  711    H    GLU  95           H        GLU  95   8.416  10.542  24.361
  712    HA   GLU  95           HA       GLU  95  10.345   9.847  26.426
  713    HB2  GLU  95           HB2      GLU  95  10.230   7.467  26.187
  714    HB3  GLU  95           HB3      GLU  95   8.630   8.024  26.559
  715    HG2  GLU  95           HG2      GLU  95   7.899   7.709  24.252
  716    HG3  GLU  95           HG3      GLU  95   9.550   7.361  23.732
  717    HA   PRO  96           HA       PRO  96  12.925  10.339  22.900
  718    HB2  PRO  96           HB2      PRO  96  15.001   8.549  23.023
  719    HB3  PRO  96           HB3      PRO  96  14.816   9.921  24.158
  720    HG2  PRO  96           HG2      PRO  96  13.998   7.038  24.570
  721    HG3  PRO  96           HG3      PRO  96  14.881   8.112  25.701
  722    HD2  PRO  96           HD2      PRO  96  12.213   7.661  25.868
  723    HD3  PRO  96           HD3      PRO  96  12.901   9.249  26.298
  724    H    ILE  97           H        ILE  97  13.326   9.762  20.794
  725    HA   ILE  97           HA       ILE  97  11.711   7.505  19.756
  726    HB   ILE  97           HB       ILE  97  13.080   9.863  18.390
  727   HG12  ILE  97          HG12      ILE  97  11.252  10.724  19.713
  728   HG13  ILE  97          HG13      ILE  97  10.805  10.763  18.021
  729   HG21  ILE  97          HG21      ILE  97  12.891   8.006  16.831
  730   HG22  ILE  97          HG22      ILE  97  11.176   7.784  17.223
  731   HG23  ILE  97          HG23      ILE  97  11.731   9.262  16.414
  732   HD11  ILE  97          HD13      ILE  97   8.922  10.058  19.391
  733   HD12  ILE  97          HD11      ILE  97   9.399   8.714  18.346
  734   HD13  ILE  97          HD12      ILE  97   9.840   8.714  20.073
  735    H    LYS  98           H        LYS  98  12.687   5.739  18.854
  736    HA   LYS  98           HA       LYS  98  15.675   5.745  18.582
  737    HB2  LYS  98           HB2      LYS  98  13.731   3.508  19.275
  738    HB3  LYS  98           HB3      LYS  98  15.328   3.205  18.584
  739    HG2  LYS  98           HG2      LYS  98  16.349   4.535  20.457
  740    HG3  LYS  98           HG3      LYS  98  14.754   4.653  21.202
  741    HD2  LYS  98           HD2      LYS  98  16.147   2.905  22.214
  742    HD3  LYS  98           HD3      LYS  98  14.687   2.209  21.491
  743    HE2  LYS  98           HE2      LYS  98  15.871   1.245  19.691
  744    HE3  LYS  98           HE3      LYS  98  17.249   2.339  19.878
  745    HZ1  LYS  98           HZ3      LYS  98  17.616   0.012  20.655
  746    HZ2  LYS  98           HZ1      LYS  98  18.004   1.177  21.722
  747    HZ3  LYS  98           HZ2      LYS  98  16.615   0.295  21.914
  748    H    LEU  99           H        LEU  99  12.589   5.341  16.907
  749    HA   LEU  99           HA       LEU  99  14.066   4.389  14.483
  750    HB2  LEU  99           HB2      LEU  99  12.814   2.582  15.531
  751    HB3  LEU  99           HB3      LEU  99  11.386   3.606  15.682
  752    HG   LEU  99           HG       LEU  99  11.133   3.655  13.218
  753   HD11  LEU  99          HD11      LEU  99  13.462   3.346  12.480
  754   HD12  LEU  99          HD12      LEU  99  13.508   1.732  13.220
  755   HD13  LEU  99          HD13      LEU  99  12.444   2.057  11.837
  756   HD21  LEU  99          HD23      LEU  99  10.383   1.336  12.998
  757   HD22  LEU  99          HD21      LEU  99  11.389   0.849  14.386
  758   HD23  LEU  99          HD22      LEU  99  10.007   1.932  14.610
  759    H    LEU 100           H        LEU 100  13.833   5.704  12.765
  760    HA   LEU 100           HA       LEU 100  11.503   7.546  12.634
  761    HB2  LEU 100           HB2      LEU 100  14.354   8.335  11.905
  762    HB3  LEU 100           HB3      LEU 100  12.909   9.324  11.862
  763    HG   LEU 100           HG       LEU 100  12.889   8.633  14.499
  764   HD11  LEU 100          HD11      LEU 100  15.062   7.388  14.319
  765   HD12  LEU 100          HD12      LEU 100  15.843   8.883  13.776
  766   HD13  LEU 100          HD13      LEU 100  15.167   8.773  15.415
  767   HD21  LEU 100          HD23      LEU 100  13.870  10.807  15.011
  768   HD22  LEU 100          HD21      LEU 100  14.455  10.959  13.341
  769   HD23  LEU 100          HD22      LEU 100  12.710  10.921  13.684
  770    H    ILE 101           H        ILE 101  10.654   7.661  10.556
  771    HA   ILE 101           HA       ILE 101  12.263   6.522   8.334
  772    HB   ILE 101           HB       ILE 101   9.505   5.753   9.229
  773   HG12  ILE 101          HG12      ILE 101  11.665   4.312   7.634
  774   HG13  ILE 101          HG13      ILE 101  11.651   4.366   9.391
  775   HG21  ILE 101          HG21      ILE 101   9.002   6.806   7.039
  776   HG22  ILE 101          HG22      ILE 101  10.252   5.813   6.267
  777   HG23  ILE 101          HG23      ILE 101   8.811   5.061   6.966
  778   HD11  ILE 101          HD13      ILE 101  10.794   2.239   8.314
  779   HD12  ILE 101          HD11      ILE 101   9.776   2.961   9.555
  780   HD13  ILE 101          HD12      ILE 101   9.354   3.130   7.828
  781    H    GLY 102           H        GLY 102  12.521   7.886   6.732
  782    HA2  GLY 102           HA2      GLY 102  11.333  10.590   6.943
  783    HA3  GLY 102           HA3      GLY 102  12.642  10.090   5.859
  784    H    LEU 103           H        LEU 103  10.167  11.478   5.120
  785    HA   LEU 103           HA       LEU 103   9.379   9.733   2.888
  786    HB2  LEU 103           HB2      LEU 103   7.762   9.466   4.909
  787    HB3  LEU 103           HB3      LEU 103   7.318  11.130   4.638
  788    HG   LEU 103           HG       LEU 103   6.800   8.691   2.921
  789   HD11  LEU 103          HD11      LEU 103   5.250   9.341   4.802
  790   HD12  LEU 103          HD12      LEU 103   4.908  10.847   3.949
  791   HD13  LEU 103          HD13      LEU 103   4.479   9.287   3.213
  792   HD21  LEU 103          HD23      LEU 103   5.555  10.252   1.322
  793   HD22  LEU 103          HD21      LEU 103   6.496  11.571   1.999
  794   HD23  LEU 103          HD22      LEU 103   7.298  10.189   1.181
  795    H    SER 104           H        SER 104   9.214  11.077   1.058
  796    HA   SER 104           HA       SER 104   8.391  13.863   1.394
  797    HB2  SER 104           HB2      SER 104  10.062  14.607  -0.297
  798    HB3  SER 104           HB3      SER 104  10.797  14.105   1.237
  799    HG   SER 104           HG       SER 104  11.853  13.275  -0.662
  800    H    ALA 105           H        ALA 105   7.377  14.678  -0.602
  801    HA   ALA 105           HA       ALA 105   6.795  12.722  -2.694
  802    HB1  ALA 105           HB3      ALA 105   4.362  12.959  -2.382
  803    HB2  ALA 105           HB1      ALA 105   5.109  12.183  -0.970
  804    HB3  ALA 105           HB2      ALA 105   4.639  13.903  -0.907
  805    H    ALA 106           H        ALA 106   6.352  13.730  -4.609
  806    HA   ALA 106           HA       ALA 106   6.798  16.584  -4.770
  807    HB1  ALA 106           HB3      ALA 106   6.510  16.224  -7.194
  808    HB2  ALA 106           HB1      ALA 106   7.584  15.004  -6.497
  809    HB3  ALA 106           HB2      ALA 106   5.901  14.582  -6.894
  810    H    ASP 107           H        ASP 107   3.903  14.721  -4.247
  811    HA   ASP 107           HA       ASP 107   2.160  17.037  -4.683
  812    HB2  ASP 107           HB2      ASP 107   2.300  15.982  -6.939
  813    HB3  ASP 107           HB3      ASP 107   1.839  14.429  -6.239
  814    H    ALA 108           H        ALA 108   0.046  16.659  -3.703
  815    HA   ALA 108           HA       ALA 108   0.160  15.283  -1.258
  816    HB1  ALA 108           HB3      ALA 108  -2.228  15.841  -1.085
  817    HB2  ALA 108           HB1      ALA 108  -1.289  17.223  -1.682
  818    HB3  ALA 108           HB2      ALA 108  -2.272  16.257  -2.811
  819    H    ASP 109           H        ASP 109  -1.111  14.147  -4.455
  820    HA   ASP 109           HA       ASP 109  -2.448  11.837  -3.283
  821    HB2  ASP 109           HB2      ASP 109  -3.114  12.711  -5.477
  822    HB3  ASP 109           HB3      ASP 109  -1.508  12.353  -6.128
  823    H    SER 110           H        SER 110   0.788  12.477  -4.699
  824    HA   SER 110           HA       SER 110   1.768   9.806  -4.505
  825    HB2  SER 110           HB2      SER 110   3.337  12.410  -4.327
  826    HB3  SER 110           HB3      SER 110   3.938  10.819  -4.818
  827    HG   SER 110           HG       SER 110   3.479  12.107  -6.631
  828    H    HIS 111           H        HIS 111   1.682  12.557  -2.190
  829    HA   HIS 111           HA       HIS 111   3.060  11.283  -0.049
  830    HB2  HIS 111           HB2      HIS 111   2.745  13.566   0.256
  831    HB3  HIS 111           HB3      HIS 111   1.087  13.536  -0.286
  832    HD1  HIS 111           HD1      HIS 111   3.128  12.980   2.909
  833    HD2  HIS 111           HD2      HIS 111  -0.836  13.071   1.483
  834    HE1  HIS 111           HE1      HIS 111   1.622  12.875   4.952
  835    H    ILE 112           H        ILE 112  -0.506  11.284  -0.833
  836    HA   ILE 112           HA       ILE 112  -1.191   9.605   1.347
  837    HB   ILE 112           HB       ILE 112  -2.491  10.074  -1.355
  838   HG12  ILE 112          HG12      ILE 112  -2.495  11.984   0.224
  839   HG13  ILE 112          HG13      ILE 112  -4.098  11.406  -0.172
  840   HG21  ILE 112          HG21      ILE 112  -3.267   7.880  -0.780
  841   HG22  ILE 112          HG22      ILE 112  -3.575   8.351   0.903
  842   HG23  ILE 112          HG23      ILE 112  -4.565   9.017  -0.418
  843   HD11  ILE 112          HD13      ILE 112  -3.911  12.015   2.193
  844   HD12  ILE 112          HD11      ILE 112  -4.264  10.290   2.036
  845   HD13  ILE 112          HD12      ILE 112  -2.617  10.836   2.437
  846    H    GLY 113           H        GLY 113  -0.233   8.679  -2.019
  847    HA2  GLY 113           HA2      GLY 113  -0.520   5.890  -1.697
  848    HA3  GLY 113           HA3      GLY 113   0.621   6.692  -2.796
  849    H    ALA 114           H        ALA 114   2.350   7.980  -1.077
  850    HA   ALA 114           HA       ALA 114   4.099   5.921  -0.217
  851    HB1  ALA 114           HB3      ALA 114   5.384   7.815   0.767
  852    HB2  ALA 114           HB1      ALA 114   4.863   8.152  -0.893
  853    HB3  ALA 114           HB2      ALA 114   3.997   8.884   0.473
  854    H    ILE 115           H        ILE 115   1.896   8.066   1.715
  855    HA   ILE 115           HA       ILE 115   2.576   7.028   4.265
  856    HB   ILE 115           HB       ILE 115   0.047   8.276   3.141
  857   HG12  ILE 115          HG12      ILE 115   2.081   9.729   3.422
  858   HG13  ILE 115          HG13      ILE 115   0.645  10.246   4.286
  859   HG21  ILE 115          HG21      ILE 115  -0.813   6.921   4.926
  860   HG22  ILE 115          HG22      ILE 115   0.496   7.404   6.019
  861   HG23  ILE 115          HG23      ILE 115  -0.736   8.583   5.510
  862   HD11  ILE 115          HD13      ILE 115   2.743  10.541   5.580
  863   HD12  ILE 115          HD11      ILE 115   1.579   9.503   6.413
  864   HD13  ILE 115          HD12      ILE 115   2.980   8.786   5.582
  865    H    GLN 116           H        GLN 116  -0.028   5.969   1.960
  866    HA   GLN 116           HA       GLN 116  -0.948   3.869   3.618
  867    HB2  GLN 116           HB2      GLN 116  -1.023   4.253   0.597
  868    HB3  GLN 116           HB3      GLN 116  -1.805   2.896   1.403
  869    HG2  GLN 116           HG2      GLN 116  -2.417   5.834   1.950
  870    HG3  GLN 116           HG3      GLN 116  -3.378   4.767   0.939
  871   HE21  GLN 116          HE22      GLN 116  -3.526   6.185   3.863
  872   HE22  GLN 116          HE21      GLN 116  -4.334   4.947   4.787
  873    H    ALA 117           H        ALA 117   1.811   3.913   1.331
  874    HA   ALA 117           HA       ALA 117   2.333   1.098   1.502
  875    HB1  ALA 117           HB3      ALA 117   4.533   1.651   0.617
  876    HB2  ALA 117           HB1      ALA 117   3.294   2.586  -0.248
  877    HB3  ALA 117           HB2      ALA 117   4.305   3.366   0.980
  878    H    LEU 118           H        LEU 118   3.812   3.898   3.351
  879    HA   LEU 118           HA       LEU 118   5.269   1.981   4.944
  880    HB2  LEU 118           HB2      LEU 118   6.147   3.780   6.248
  881    HB3  LEU 118           HB3      LEU 118   6.363   3.970   4.522
  882    HG   LEU 118           HG       LEU 118   4.611   5.712   4.465
  883   HD11  LEU 118          HD11      LEU 118   3.173   5.171   6.371
  884   HD12  LEU 118          HD12      LEU 118   4.532   5.389   7.494
  885   HD13  LEU 118          HD13      LEU 118   3.861   6.762   6.583
  886   HD21  LEU 118          HD23      LEU 118   5.959   7.419   5.572
  887   HD22  LEU 118          HD21      LEU 118   6.750   6.192   6.566
  888   HD23  LEU 118          HD22      LEU 118   7.023   6.234   4.810
  889    H    SER 119           H        SER 119   2.021   3.215   5.405
  890    HA   SER 119           HA       SER 119   1.789   2.612   8.151
  891    HB2  SER 119           HB2      SER 119  -0.215   2.255   5.888
  892    HB3  SER 119           HB3      SER 119  -0.603   2.164   7.617
  893    HG   SER 119           HG       SER 119  -0.976   4.252   6.778
  894    H    GLU 120           H        GLU 120   2.186   0.387   5.387
  895    HA   GLU 120           HA       GLU 120   1.294  -1.983   6.737
  896    HB2  GLU 120           HB2      GLU 120   3.356  -1.657   4.520
  897    HB3  GLU 120           HB3      GLU 120   2.611  -3.170   4.996
  898    HG2  GLU 120           HG2      GLU 120   1.081  -0.799   3.842
  899    HG3  GLU 120           HG3      GLU 120   1.642  -2.187   2.930
  900    H    LEU 121           H        LEU 121   3.988   0.034   7.353
  901    HA   LEU 121           HA       LEU 121   5.443  -2.166   8.757
  902    HB2  LEU 121           HB2      LEU 121   6.506   0.550   7.871
  903    HB3  LEU 121           HB3      LEU 121   7.419  -0.725   8.654
  904    HG   LEU 121           HG       LEU 121   6.241  -0.791   5.842
  905   HD11  LEU 121          HD11      LEU 121   8.198   0.665   6.087
  906   HD12  LEU 121          HD12      LEU 121   9.110  -0.646   6.866
  907   HD13  LEU 121          HD13      LEU 121   8.627  -0.783   5.164
  908   HD21  LEU 121          HD23      LEU 121   7.416  -2.904   5.491
  909   HD22  LEU 121          HD21      LEU 121   7.979  -2.918   7.169
  910   HD23  LEU 121          HD22      LEU 121   6.246  -3.092   6.797
  911    H    LEU 122           H        LEU 122   4.511   1.338   8.976
  912    HA   LEU 122           HA       LEU 122   5.403   1.458  11.687
  913    HB2  LEU 122           HB2      LEU 122   3.547   3.420  10.294
  914    HB3  LEU 122           HB3      LEU 122   4.452   3.674  11.782
  915    HG   LEU 122           HG       LEU 122   5.507   3.537   8.953
  916   HD11  LEU 122          HD11      LEU 122   4.715   5.695   9.973
  917   HD12  LEU 122          HD12      LEU 122   5.992   5.533  11.198
  918   HD13  LEU 122          HD13      LEU 122   6.419   5.708   9.483
  919   HD21  LEU 122          HD23      LEU 122   7.796   3.776   9.914
  920   HD22  LEU 122          HD21      LEU 122   7.166   3.285  11.499
  921   HD23  LEU 122          HD22      LEU 122   7.116   2.159  10.117
  922    H    CYS 123           H        CYS 123   2.347   0.414  10.373
  923    HA   CYS 123           HA       CYS 123   1.052   0.707  13.038
  924    HB2  CYS 123           HB2      CYS 123  -0.228   0.244  10.318
  925    HB3  CYS 123           HB3      CYS 123  -1.055   0.556  11.846
  926    HG   CYS 123           HG       CYS 123  -1.203   2.697  10.371
  927    H    GLU 124           H        GLU 124   3.033  -1.459  12.090
  928    HA   GLU 124           HA       GLU 124   1.345  -3.799  12.825
  929    HB2  GLU 124           HB2      GLU 124   3.487  -3.597  10.669
  930    HB3  GLU 124           HB3      GLU 124   2.958  -5.127  11.361
  931    HG2  GLU 124           HG2      GLU 124   1.212  -3.138   9.849
  932    HG3  GLU 124           HG3      GLU 124   1.841  -4.659   9.226
  933    H    GLU 125           H        GLU 125   1.912  -3.870  14.936
  934    HA   GLU 125           HA       GLU 125   4.321  -3.012  16.032
  935    HB2  GLU 125           HB2      GLU 125   3.615  -4.143  18.071
  936    HB3  GLU 125           HB3      GLU 125   2.283  -3.277  17.308
  937    HG2  GLU 125           HG2      GLU 125   1.465  -5.455  16.343
  938    HG3  GLU 125           HG3      GLU 125   2.755  -6.291  17.208
  939    H    GLU 126           H        GLU 126   3.603  -6.142  14.578
  940    HA   GLU 126           HA       GLU 126   5.843  -7.593  15.612
  941    HB2  GLU 126           HB2      GLU 126   4.393  -7.886  12.939
  942    HB3  GLU 126           HB3      GLU 126   5.487  -9.071  13.664
  943    HG2  GLU 126           HG2      GLU 126   3.928  -9.223  15.639
  944    HG3  GLU 126           HG3      GLU 126   2.795  -8.174  14.782
  945    H    ILE 127           H        ILE 127   5.467  -5.324  12.874
  946    HA   ILE 127           HA       ILE 127   8.179  -5.824  11.860
  947    HB   ILE 127           HB       ILE 127   5.869  -4.026  11.082
  948   HG12  ILE 127          HG12      ILE 127   6.289  -4.963   8.847
  949   HG13  ILE 127          HG13      ILE 127   7.691  -5.852   9.444
  950   HG21  ILE 127          HG21      ILE 127   7.651  -2.436  10.989
  951   HG22  ILE 127          HG22      ILE 127   8.764  -3.621  10.265
  952   HG23  ILE 127          HG23      ILE 127   7.389  -3.000   9.346
  953   HD11  ILE 127          HD13      ILE 127   5.654  -7.249   9.103
  954   HD12  ILE 127          HD11      ILE 127   6.249  -7.314  10.768
  955   HD13  ILE 127          HD12      ILE 127   4.823  -6.320  10.365
  956    H    LEU 128           H        LEU 128   6.429  -3.398  13.884
  957    HA   LEU 128           HA       LEU 128   8.581  -1.592  14.144
  958    HB2  LEU 128           HB2      LEU 128   6.469  -2.314  16.219
  959    HB3  LEU 128           HB3      LEU 128   7.597  -0.979  16.362
  960    HG   LEU 128           HG       LEU 128   5.408  -1.242  14.262
  961   HD11  LEU 128          HD11      LEU 128   4.648  -0.644  16.532
  962   HD12  LEU 128          HD12      LEU 128   5.830   0.678  16.590
  963   HD13  LEU 128          HD13      LEU 128   4.486   0.728  15.428
  964   HD21  LEU 128          HD23      LEU 128   6.119   1.164  13.730
  965   HD22  LEU 128          HD21      LEU 128   7.639   0.805  14.571
  966   HD23  LEU 128          HD22      LEU 128   7.175  -0.117  13.122
  967    H    GLU 129           H        GLU 129   7.876  -4.527  16.138
  968    HA   GLU 129           HA       GLU 129  10.099  -4.235  17.878
  969    HB2  GLU 129           HB2      GLU 129   8.529  -6.635  16.877
  970    HB3  GLU 129           HB3      GLU 129   9.985  -6.852  17.854
  971    HG2  GLU 129           HG2      GLU 129   9.026  -5.380  19.619
  972    HG3  GLU 129           HG3      GLU 129   7.531  -5.256  18.689
  973    H    GLN 130           H        GLN 130   9.900  -5.951  14.701
  974    HA   GLN 130           HA       GLN 130  12.610  -6.836  14.780
  975    HB2  GLN 130           HB2      GLN 130  10.633  -6.475  12.494
  976    HB3  GLN 130           HB3      GLN 130  12.227  -7.218  12.297
  977    HG2  GLN 130           HG2      GLN 130  11.710  -9.013  13.810
  978    HG3  GLN 130           HG3      GLN 130  10.201  -8.259  14.317
  979   HE21  GLN 130          HE22      GLN 130   8.388  -8.277  12.921
  980   HE22  GLN 130          HE21      GLN 130   8.275  -9.380  11.560
  981    H    LEU 131           H        LEU 131  11.177  -3.805  13.546
  982    HA   LEU 131           HA       LEU 131  13.611  -2.846  12.295
  983    HB2  LEU 131           HB2      LEU 131  11.121  -1.460  13.365
  984    HB3  LEU 131           HB3      LEU 131  12.465  -0.572  12.655
  985    HG   LEU 131           HG       LEU 131  10.956  -2.735  11.149
  986   HD11  LEU 131          HD11      LEU 131   9.432  -0.862  11.766
  987   HD12  LEU 131          HD12      LEU 131  10.547   0.279  10.975
  988   HD13  LEU 131          HD13      LEU 131   9.720  -0.966  10.022
  989   HD21  LEU 131          HD23      LEU 131  11.928  -1.629   9.148
  990   HD22  LEU 131          HD21      LEU 131  12.780  -0.480  10.195
  991   HD23  LEU 131          HD22      LEU 131  13.203  -2.203  10.225
  992    H    LEU 132           H        LEU 132  12.112  -2.410  15.553
  993    HA   LEU 132           HA       LEU 132  14.116  -0.629  16.501
  994    HB2  LEU 132           HB2      LEU 132  12.102  -2.431  17.879
  995    HB3  LEU 132           HB3      LEU 132  13.223  -1.447  18.806
  996    HG   LEU 132           HG       LEU 132  11.380  -0.218  16.716
  997   HD11  LEU 132          HD11      LEU 132  10.001  -1.361  18.406
  998   HD12  LEU 132          HD12      LEU 132  10.886  -0.539  19.709
  999   HD13  LEU 132          HD13      LEU 132   9.883   0.396  18.576
 1000   HD21  LEU 132          HD23      LEU 132  11.782   1.856  17.984
 1001   HD22  LEU 132          HD21      LEU 132  12.846   0.984  19.108
 1002   HD23  LEU 132          HD22      LEU 132  13.311   1.185  17.407
 1003    H    THR 133           H        THR 133  13.978  -4.236  16.564
 1004    HA   THR 133           HA       THR 133  16.428  -4.329  18.154
 1005    HB   THR 133           HB       THR 133  16.147  -6.786  17.889
 1006    HG1  THR 133           HG1      THR 133  14.359  -7.576  16.860
 1007   HG21  THR 133          HG23      THR 133  14.135  -6.991  19.261
 1008   HG22  THR 133          HG21      THR 133  15.086  -5.589  19.773
 1009   HG23  THR 133          HG22      THR 133  13.614  -5.354  18.808
 1010    H    ALA 134           H        ALA 134  16.004  -3.571  14.920
 1011    HA   ALA 134           HA       ALA 134  17.515  -5.445  13.558
 1012    HB1  ALA 134           HB3      ALA 134  17.816  -3.706  11.821
 1013    HB2  ALA 134           HB1      ALA 134  16.146  -3.785  12.420
 1014    HB3  ALA 134           HB2      ALA 134  17.238  -2.485  12.963
 1015    H    SER 135           H        SER 135  19.574  -6.095  13.793
 1016    HA   SER 135           HA       SER 135  21.477  -4.621  15.327
 1017    HB2  SER 135           HB2      SER 135  21.911  -6.993  13.465
 1018    HB3  SER 135           HB3      SER 135  22.967  -6.476  14.793
 1019    HG   SER 135           HG       SER 135  21.593  -8.198  15.409
 1020    H    SER 136           H        SER 136  20.697  -4.498  11.894
 1021    HA   SER 136           HA       SER 136  23.020  -2.784  11.341
 1022    HB2  SER 136           HB2      SER 136  23.716  -4.289   9.478
 1023    HB3  SER 136           HB3      SER 136  23.881  -5.064  11.058
 1024    HG   SER 136           HG       SER 136  22.888  -6.506   9.693
 1025    H    GLU 137           H        GLU 137  22.929  -1.899   9.162
 1026    HA   GLU 137           HA       GLU 137  20.399  -0.984   8.252
 1027    HB2  GLU 137           HB2      GLU 137  23.090  -1.271   6.851
 1028    HB3  GLU 137           HB3      GLU 137  21.702  -0.397   6.172
 1029    HG2  GLU 137           HG2      GLU 137  21.705   1.181   8.001
 1030    HG3  GLU 137           HG3      GLU 137  22.966   0.294   8.853
 1031    H    LYS 138           H        LYS 138  22.234  -3.958   7.539
 1032    HA   LYS 138           HA       LYS 138  20.765  -4.686   5.202
 1033    HB2  LYS 138           HB2      LYS 138  22.983  -5.655   5.979
 1034    HB3  LYS 138           HB3      LYS 138  22.114  -6.513   7.248
 1035    HG2  LYS 138           HG2      LYS 138  22.553  -8.015   5.434
 1036    HG3  LYS 138           HG3      LYS 138  20.808  -7.746   5.497
 1037    HD2  LYS 138           HD2      LYS 138  20.929  -6.228   3.567
 1038    HD3  LYS 138           HD3      LYS 138  22.702  -6.247   3.634
 1039    HE2  LYS 138           HE2      LYS 138  22.153  -8.938   3.448
 1040    HE3  LYS 138           HE3      LYS 138  20.779  -8.275   2.561
 1041    HZ1  LYS 138           HZ3      LYS 138  22.647  -8.707   1.100
 1042    HZ2  LYS 138           HZ1      LYS 138  22.391  -7.098   1.141
 1043    HZ3  LYS 138           HZ2      LYS 138  23.639  -7.757   1.968
 1044    H    GLN 139           H        GLN 139  20.250  -5.415   8.709
 1045    HA   GLN 139           HA       GLN 139  17.952  -7.066   8.198
 1046    HB2  GLN 139           HB2      GLN 139  19.349  -7.122  10.257
 1047    HB3  GLN 139           HB3      GLN 139  18.699  -5.549  10.736
 1048    HG2  GLN 139           HG2      GLN 139  16.421  -6.504  10.841
 1049    HG3  GLN 139           HG3      GLN 139  17.013  -8.047  10.218
 1050   HE21  GLN 139          HE22      GLN 139  15.631  -8.311  12.480
 1051   HE22  GLN 139          HE21      GLN 139  16.667  -8.526  13.867
 1052    H    LEU 140           H        LEU 140  18.368  -3.544   8.820
 1053    HA   LEU 140           HA       LEU 140  15.569  -2.902   8.840
 1054    HB2  LEU 140           HB2      LEU 140  18.014  -1.311   7.964
 1055    HB3  LEU 140           HB3      LEU 140  16.401  -0.641   8.009
 1056    HG   LEU 140           HG       LEU 140  17.980  -1.655  10.400
 1057   HD11  LEU 140          HD11      LEU 140  18.740   0.516   9.432
 1058   HD12  LEU 140          HD12      LEU 140  17.108   1.166   9.641
 1059   HD13  LEU 140          HD13      LEU 140  18.048   0.698  11.050
 1060   HD21  LEU 140          HD23      LEU 140  16.142  -0.651  11.774
 1061   HD22  LEU 140          HD21      LEU 140  15.199  -0.413  10.293
 1062   HD23  LEU 140          HD22      LEU 140  15.600  -2.048  10.845
 1063    H    ALA 141           H        ALA 141  17.929  -3.112   6.124
 1064    HA   ALA 141           HA       ALA 141  16.115  -2.373   4.094
 1065    HB1  ALA 141           HB3      ALA 141  17.759  -3.343   2.556
 1066    HB2  ALA 141           HB1      ALA 141  18.580  -2.413   3.824
 1067    HB3  ALA 141           HB2      ALA 141  18.557  -4.190   3.895
 1068    H    ASP 142           H        ASP 142  16.840  -5.636   5.454
 1069    HA   ASP 142           HA       ASP 142  15.340  -7.163   3.625
 1070    HB2  ASP 142           HB2      ASP 142  16.719  -8.224   5.321
 1071    HB3  ASP 142           HB3      ASP 142  15.725  -7.554   6.617
 1072    H    ILE 143           H        ILE 143  14.217  -5.379   6.527
 1073    HA   ILE 143           HA       ILE 143  11.517  -6.315   6.360
 1074    HB   ILE 143           HB       ILE 143  12.783  -3.918   7.735
 1075   HG12  ILE 143          HG12      ILE 143  11.767  -6.524   8.964
 1076   HG13  ILE 143          HG13      ILE 143  13.419  -6.364   8.395
 1077   HG21  ILE 143          HG21      ILE 143  10.403  -3.427   7.453
 1078   HG22  ILE 143          HG22      ILE 143   9.962  -5.040   8.059
 1079   HG23  ILE 143          HG23      ILE 143  10.719  -3.843   9.129
 1080   HD11  ILE 143          HD13      ILE 143  13.437  -5.969  10.735
 1081   HD12  ILE 143          HD11      ILE 143  13.776  -4.436   9.927
 1082   HD13  ILE 143          HD12      ILE 143  12.162  -4.743  10.623
 1083    H    ILE 144           H        ILE 144  13.218  -3.547   4.824
 1084    HA   ILE 144           HA       ILE 144  10.806  -2.410   3.690
 1085    HB   ILE 144           HB       ILE 144  13.724  -2.199   2.842
 1086   HG12  ILE 144          HG12      ILE 144  13.495  -1.153   4.969
 1087   HG13  ILE 144          HG13      ILE 144  13.529   0.127   3.774
 1088   HG21  ILE 144          HG21      ILE 144  12.331  -1.740   0.895
 1089   HG22  ILE 144          HG22      ILE 144  11.369  -0.573   1.823
 1090   HG23  ILE 144          HG23      ILE 144  13.082  -0.261   1.491
 1091   HD11  ILE 144          HD13      ILE 144  11.850   0.731   5.353
 1092   HD12  ILE 144          HD11      ILE 144  10.950   0.170   3.940
 1093   HD13  ILE 144          HD12      ILE 144  11.142  -0.890   5.355
 1094    H    SER 145           H        SER 145  13.285  -4.743   2.380
 1095    HA   SER 145           HA       SER 145  12.008  -5.174  -0.071
 1096    HB2  SER 145           HB2      SER 145  13.618  -7.152   1.590
 1097    HB3  SER 145           HB3      SER 145  13.308  -7.254  -0.152
 1098    HG   SER 145           HG       SER 145  15.347  -6.316   0.315
 1099    H    ARG 146           H        ARG 146  11.245  -6.564   3.099
 1100    HA   ARG 146           HA       ARG 146   9.542  -8.654   2.223
 1101    HB2  ARG 146           HB2      ARG 146  10.621  -8.092   4.535
 1102    HB3  ARG 146           HB3      ARG 146   9.184  -7.105   4.813
 1103    HG2  ARG 146           HG2      ARG 146   7.773  -9.155   4.448
 1104    HG3  ARG 146           HG3      ARG 146   9.252 -10.103   4.220
 1105    HD2  ARG 146           HD2      ARG 146   8.415  -8.590   6.728
 1106    HD3  ARG 146           HD3      ARG 146   8.387 -10.347   6.498
 1107    HE   ARG 146           HE       ARG 146  11.036  -9.387   6.030
 1108   HH11  ARG 146          HH11      ARG 146   8.780  -9.974   8.706
 1109   HH12  ARG 146          HH12      ARG 146  10.038 -10.021   9.913
 1110   HH21  ARG 146          HH21      ARG 146  12.677  -9.492   7.614
 1111   HH22  ARG 146          HH22      ARG 146  12.261  -9.787   9.282
 1112    H    GLY 147           H        GLY 147   8.991  -5.196   2.233
 1113    HA2  GLY 147           HA2      GLY 147   6.065  -5.358   2.442
 1114    HA3  GLY 147           HA3      GLY 147   7.072  -3.923   2.197
  Start of MODEL    2
    1    H    MET   1           H1       MET   1   1.891  -1.195  -0.419
    2    HA   MET   1           HA       MET   1   2.212  -1.430  -3.359
    3    HB2  MET   1           HB2      MET   1   1.972   1.036  -2.229
    4    HB3  MET   1           HB3      MET   1   3.687   0.741  -1.871
    5    HG2  MET   1           HG2      MET   1   3.320   1.978  -3.970
    6    HG3  MET   1           HG3      MET   1   4.201   0.476  -4.210
    7    HE1  MET   1           HE3      MET   1   3.847   0.711  -6.813
    8    HE2  MET   1           HE1      MET   1   2.264   0.961  -7.581
    9    HE3  MET   1           HE2      MET   1   2.958   2.229  -6.547
   10    H    ARG   2           H        ARG   2   4.421  -1.666  -4.097
   11    HA   ARG   2           HA       ARG   2   5.982  -3.334  -2.293
   12    HB2  ARG   2           HB2      ARG   2   6.598  -2.164  -5.027
   13    HB3  ARG   2           HB3      ARG   2   7.716  -3.189  -4.105
   14    HG2  ARG   2           HG2      ARG   2   4.948  -3.941  -5.076
   15    HG3  ARG   2           HG3      ARG   2   6.501  -4.540  -5.707
   16    HD2  ARG   2           HD2      ARG   2   6.870  -5.490  -3.337
   17    HD3  ARG   2           HD3      ARG   2   5.150  -5.111  -3.053
   18    HE   ARG   2           HE       ARG   2   5.380  -6.600  -5.457
   19   HH11  ARG   2          HH11      ARG   2   5.692  -7.072  -1.927
   20   HH12  ARG   2          HH12      ARG   2   5.303  -8.759  -2.005
   21   HH21  ARG   2          HH21      ARG   2   4.855  -8.835  -5.524
   22   HH22  ARG   2          HH22      ARG   2   4.811  -9.773  -4.081
   23    H    LEU   3           H        LEU   3   6.947  -2.534  -0.689
   24    HA   LEU   3           HA       LEU   3   7.088   0.245  -0.079
   25    HB2  LEU   3           HB2      LEU   3   8.217  -2.276   1.122
   26    HB3  LEU   3           HB3      LEU   3   8.962  -0.765   1.604
   27    HG   LEU   3           HG       LEU   3   7.202  -1.584   3.135
   28   HD11  LEU   3          HD11      LEU   3   6.689   1.161   1.893
   29   HD12  LEU   3          HD12      LEU   3   6.203   0.616   3.504
   30   HD13  LEU   3          HD13      LEU   3   7.916   0.766   3.119
   31   HD21  LEU   3          HD23      LEU   3   4.861  -1.342   2.658
   32   HD22  LEU   3          HD21      LEU   3   5.187  -0.741   1.027
   33   HD23  LEU   3          HD22      LEU   3   5.565  -2.416   1.446
   34    H    SER   4           H        SER   4   9.626  -2.031  -1.206
   35    HA   SER   4           HA       SER   4  11.806  -0.429  -1.008
   36    HB2  SER   4           HB2      SER   4  11.447  -2.236  -3.405
   37    HB3  SER   4           HB3      SER   4  12.866  -2.036  -2.358
   38    HG   SER   4           HG       SER   4  11.658  -4.012  -2.073
   39    H    ASP   5           H        ASP   5   9.191   0.015  -3.346
   40    HA   ASP   5           HA       ASP   5  10.607   1.375  -5.402
   41    HB2  ASP   5           HB2      ASP   5   8.277   0.552  -5.606
   42    HB3  ASP   5           HB3      ASP   5   7.751   1.757  -4.425
   43    H    TYR   6           H        TYR   6   9.574   2.361  -2.186
   44    HA   TYR   6           HA       TYR   6   9.963   5.220  -2.755
   45    HB2  TYR   6           HB2      TYR   6   9.006   3.747  -0.269
   46    HB3  TYR   6           HB3      TYR   6   9.127   5.491  -0.432
   47    HD1  TYR   6           HD2      TYR   6   7.671   6.785  -1.894
   48    HD2  TYR   6           HD1      TYR   6   7.097   2.522  -1.366
   49    HE1  TYR   6           HE2      TYR   6   5.492   6.927  -3.061
   50    HE2  TYR   6           HE1      TYR   6   4.910   2.690  -2.460
   51    HH   TYR   6           HH       TYR   6   3.623   5.756  -3.818
   52    H    PHE   7           H        PHE   7  12.043   2.650  -1.701
   53    HA   PHE   7           HA       PHE   7  13.690   4.557  -0.070
   54    HB2  PHE   7           HB2      PHE   7  13.468   1.550   0.136
   55    HB3  PHE   7           HB3      PHE   7  14.634   2.531   1.004
   56    HD1  PHE   7           HD1      PHE   7  10.995   2.001   0.510
   57    HD2  PHE   7           HD2      PHE   7  14.025   3.397   3.245
   58    HE1  PHE   7           HE1      PHE   7   9.254   2.466   2.192
   59    HE2  PHE   7           HE2      PHE   7  12.250   3.994   4.856
   60    HZ   PHE   7           HZ       PHE   7   9.880   3.501   4.369
   61    HA   PRO   8           HA       PRO   8  15.474   3.980  -4.228
   62    HB2  PRO   8           HB2      PRO   8  17.383   6.069  -4.035
   63    HB3  PRO   8           HB3      PRO   8  15.752   6.116  -4.760
   64    HG2  PRO   8           HG2      PRO   8  16.607   6.931  -1.988
   65    HG3  PRO   8           HG3      PRO   8  15.406   7.719  -3.040
   66    HD2  PRO   8           HD2      PRO   8  14.602   6.152  -1.029
   67    HD3  PRO   8           HD3      PRO   8  13.782   6.057  -2.615
   68    H    GLU   9           H        GLU   9  17.900   4.684  -1.670
   69    HA   GLU   9           HA       GLU   9  19.178   2.129  -2.046
   70    HB2  GLU   9           HB2      GLU   9  19.941   3.402  -4.122
   71    HB3  GLU   9           HB3      GLU   9  20.632   4.604  -3.057
   72    HG2  GLU   9           HG2      GLU   9  22.427   3.175  -3.731
   73    HG3  GLU   9           HG3      GLU   9  22.077   2.735  -2.062
   74    H    SER  10           H        SER  10  20.735   5.204  -1.237
   75    HA   SER  10           HA       SER  10  21.837   4.262   1.177
   76    HB2  SER  10           HB2      SER  10  21.338   7.183   0.549
   77    HB3  SER  10           HB3      SER  10  22.758   6.448   1.304
   78    HG   SER  10           HG       SER  10  23.345   5.622  -0.714
   79    H    SER  11           H        SER  11  18.793   4.213   0.888
   80    HA   SER  11           HA       SER  11  17.598   6.281   2.511
   81    HB2  SER  11           HB2      SER  11  16.463   3.711   1.366
   82    HB3  SER  11           HB3      SER  11  15.568   5.198   1.749
   83    HG   SER  11           HG       SER  11  16.731   6.241   0.105
   84    H    ILE  12           H        ILE  12  19.436   3.833   3.640
   85    HA   ILE  12           HA       ILE  12  17.678   3.105   5.883
   86    HB   ILE  12           HB       ILE  12  19.704   1.380   4.391
   87   HG12  ILE  12          HG12      ILE  12  17.986   1.839   2.684
   88   HG13  ILE  12          HG13      ILE  12  18.138   0.173   3.138
   89   HG21  ILE  12          HG21      ILE  12  19.106   0.805   6.704
   90   HG22  ILE  12          HG22      ILE  12  17.394   0.765   6.268
   91   HG23  ILE  12          HG23      ILE  12  18.531  -0.434   5.588
   92   HD11  ILE  12          HD13      ILE  12  16.074   0.226   4.412
   93   HD12  ILE  12          HD11      ILE  12  15.916   1.981   4.151
   94   HD13  ILE  12          HD12      ILE  12  15.802   0.858   2.781
   95    H    SER  13           H        SER  13  18.841   3.460   7.836
   96    HA   SER  13           HA       SER  13  21.770   3.187   7.836
   97    HB2  SER  13           HB2      SER  13  20.336   5.790   8.555
   98    HB3  SER  13           HB3      SER  13  22.025   5.433   8.954
   99    HG   SER  13           HG       SER  13  21.415   4.976   6.329
  100    H    VAL  14           H        VAL  14  22.596   2.769   9.837
  101    HA   VAL  14           HA       VAL  14  20.811   2.822  12.201
  102    HB   VAL  14           HB       VAL  14  22.779   0.636  11.418
  103   HG11  VAL  14          HG11      VAL  14  23.069   1.100  13.822
  104   HG12  VAL  14          HG12      VAL  14  21.309   1.043  14.071
  105   HG13  VAL  14          HG13      VAL  14  22.204  -0.422  13.612
  106   HG21  VAL  14          HG23      VAL  14  20.806  -0.857  11.706
  107   HG22  VAL  14          HG21      VAL  14  19.803   0.550  12.083
  108   HG23  VAL  14          HG22      VAL  14  20.507   0.369  10.464
  109    H    ILE  15           H        ILE  15  21.790   3.837  13.871
  110    HA   ILE  15           HA       ILE  15  24.542   4.925  13.555
  111    HB   ILE  15           HB       ILE  15  21.883   6.360  14.002
  112   HG12  ILE  15          HG12      ILE  15  23.787   6.532  11.656
  113   HG13  ILE  15          HG13      ILE  15  22.110   5.961  11.670
  114   HG21  ILE  15          HG21      ILE  15  23.702   7.293  15.401
  115   HG22  ILE  15          HG22      ILE  15  24.661   7.620  13.942
  116   HG23  ILE  15          HG23      ILE  15  23.108   8.444  14.272
  117   HD11  ILE  15          HD13      ILE  15  23.081   8.819  12.107
  118   HD12  ILE  15          HD11      ILE  15  22.049   8.199  10.799
  119   HD13  ILE  15          HD12      ILE  15  21.434   8.299  12.471
  120    H    HIS  16           H        HIS  16  25.484   5.323  15.695
  121    HA   HIS  16           HA       HIS  16  24.326   3.784  17.823
  122    HB2  HIS  16           HB2      HIS  16  26.788   4.324  17.499
  123    HB3  HIS  16           HB3      HIS  16  26.444   5.943  18.122
  124    HD1  HIS  16           HD1      HIS  16  25.674   2.298  19.316
  125    HD2  HIS  16           HD2      HIS  16  26.900   6.092  20.702
  126    HE1  HIS  16           HE1      HIS  16  26.093   2.056  21.826
  127    H    SER  17           H        SER  17  24.283   7.313  17.034
  128    HA   SER  17           HA       SER  17  21.938   7.790  18.588
  129    HB2  SER  17           HB2      SER  17  23.551   9.649  19.879
  130    HB3  SER  17           HB3      SER  17  22.844   8.218  20.594
  131    HG   SER  17           HG       SER  17  25.461   8.473  19.520
  132    H    ALA  18           H        ALA  18  21.148   9.897  18.081
  133    HA   ALA  18           HA       ALA  18  22.442  11.213  15.769
  134    HB1  ALA  18           HB3      ALA  18  19.957  11.060  15.830
  135    HB2  ALA  18           HB1      ALA  18  19.953  11.955  17.369
  136    HB3  ALA  18           HB2      ALA  18  20.516  12.738  15.882
  137    H    LYS  19           H        LYS  19  23.198  13.429  15.992
  138    HA   LYS  19           HA       LYS  19  24.681  13.962  18.347
  139    HB2  LYS  19           HB2      LYS  19  24.913  14.854  15.889
  140    HB3  LYS  19           HB3      LYS  19  23.745  16.060  16.373
  141    HG2  LYS  19           HG2      LYS  19  25.889  17.062  16.615
  142    HG3  LYS  19           HG3      LYS  19  25.238  16.802  18.229
  143    HD2  LYS  19           HD2      LYS  19  27.627  16.291  18.133
  144    HD3  LYS  19           HD3      LYS  19  26.710  14.837  18.534
  145    HE2  LYS  19           HE2      LYS  19  26.858  14.081  16.173
  146    HE3  LYS  19           HE3      LYS  19  27.707  15.567  15.739
  147    HZ1  LYS  19           HZ3      LYS  19  29.522  14.880  17.200
  148    HZ2  LYS  19           HZ1      LYS  19  28.737  13.504  17.606
  149    HZ3  LYS  19           HZ2      LYS  19  29.244  13.737  16.076
  150    H    ASP  20           H        ASP  20  21.494  15.071  17.272
  151    HA   ASP  20           HA       ASP  20  20.407  15.240  19.872
  152    HB2  ASP  20           HB2      ASP  20  19.878  17.486  20.085
  153    HB3  ASP  20           HB3      ASP  20  21.606  17.542  19.715
  154    H    TRP  21           H        TRP  21  18.031  16.430  19.409
  155    HA   TRP  21           HA       TRP  21  16.801  14.871  17.459
  156    HB2  TRP  21           HB2      TRP  21  14.794  16.195  17.936
  157    HB3  TRP  21           HB3      TRP  21  15.605  15.611  19.380
  158    HD1  TRP  21           HD1      TRP  21  16.562  17.418  21.053
  159    HE1  TRP  21           HE1      TRP  21  16.376  19.950  21.257
  160    HE3  TRP  21           HE3      TRP  21  14.405  18.422  16.513
  161    HZ2  TRP  21           HZ2      TRP  21  15.507  22.176  19.602
  162    HZ3  TRP  21           HZ3      TRP  21  13.910  20.766  15.857
  163    HH2  TRP  21           HH2      TRP  21  14.516  22.640  17.371
  164    H    GLN  22           H        GLN  22  18.088  18.232  17.102
  165    HA   GLN  22           HA       GLN  22  16.851  18.838  14.551
  166    HB2  GLN  22           HB2      GLN  22  19.524  19.695  15.680
  167    HB3  GLN  22           HB3      GLN  22  18.763  20.338  14.238
  168    HG2  GLN  22           HG2      GLN  22  16.934  21.283  15.460
  169    HG3  GLN  22           HG3      GLN  22  17.346  20.390  16.926
  170   HE21  GLN  22          HE22      GLN  22  19.466  20.819  17.928
  171   HE22  GLN  22          HE21      GLN  22  20.060  22.487  17.938
  172    H    GLU  23           H        GLU  23  20.048  17.318  15.466
  173    HA   GLU  23           HA       GLU  23  20.767  16.594  12.830
  174    HB2  GLU  23           HB2      GLU  23  22.169  16.550  15.003
  175    HB3  GLU  23           HB3      GLU  23  21.413  14.972  15.307
  176    HG2  GLU  23           HG2      GLU  23  23.356  14.309  14.255
  177    HG3  GLU  23           HG3      GLU  23  22.292  14.384  12.883
  178    H    ALA  24           H        ALA  24  18.712  14.912  15.191
  179    HA   ALA  24           HA       ALA  24  18.607  12.430  13.806
  180    HB1  ALA  24           HB3      ALA  24  16.494  13.633  15.629
  181    HB2  ALA  24           HB1      ALA  24  16.786  11.911  15.302
  182    HB3  ALA  24           HB2      ALA  24  17.997  12.879  16.179
  183    H    ILE  25           H        ILE  25  16.737  15.455  13.383
  184    HA   ILE  25           HA       ILE  25  14.896  14.326  11.449
  185    HB   ILE  25           HB       ILE  25  15.844  17.204  11.620
  186   HG12  ILE  25          HG12      ILE  25  14.403  15.814  13.665
  187   HG13  ILE  25          HG13      ILE  25  14.866  17.505  13.564
  188   HG21  ILE  25          HG21      ILE  25  14.682  16.545   9.535
  189   HG22  ILE  25          HG22      ILE  25  13.283  16.023  10.470
  190   HG23  ILE  25          HG23      ILE  25  13.787  17.736  10.444
  191   HD11  ILE  25          HD13      ILE  25  12.285  16.259  12.583
  192   HD12  ILE  25          HD11      ILE  25  12.506  17.269  14.024
  193   HD13  ILE  25          HD12      ILE  25  12.708  17.989  12.420
  194    H    ASP  26           H        ASP  26  18.058  16.085  11.232
  195    HA   ASP  26           HA       ASP  26  18.261  16.031   8.411
  196    HB2  ASP  26           HB2      ASP  26  19.777  17.358   9.780
  197    HB3  ASP  26           HB3      ASP  26  20.490  15.900  10.471
  198    H    PHE  27           H        PHE  27  19.382  13.590  10.808
  199    HA   PHE  27           HA       PHE  27  20.190  11.702   8.821
  200    HB2  PHE  27           HB2      PHE  27  19.656  11.549  11.803
  201    HB3  PHE  27           HB3      PHE  27  19.972  10.103  10.868
  202    HD1  PHE  27           HD2      PHE  27  22.048  10.530   9.053
  203    HD2  PHE  27           HD1      PHE  27  21.681  12.180  13.051
  204    HE1  PHE  27           HE2      PHE  27  24.505  10.703   9.223
  205    HE2  PHE  27           HE1      PHE  27  24.132  12.280  13.206
  206    HZ   PHE  27           HZ       PHE  27  25.557  11.569  11.304
  207    H    SER  28           H        SER  28  16.946  12.563   9.889
  208    HA   SER  28           HA       SER  28  15.805  10.034   8.901
  209    HB2  SER  28           HB2      SER  28  14.407  12.687   9.555
  210    HB3  SER  28           HB3      SER  28  13.629  11.157   9.210
  211    HG   SER  28           HG       SER  28  15.455  11.672  11.346
  212    H    MET  29           H        MET  29  16.910  13.078   7.510
  213    HA   MET  29           HA       MET  29  15.275  12.532   5.066
  214    HB2  MET  29           HB2      MET  29  16.446  15.129   6.031
  215    HB3  MET  29           HB3      MET  29  15.206  14.872   4.790
  216    HG2  MET  29           HG2      MET  29  14.508  14.124   7.605
  217    HG3  MET  29           HG3      MET  29  14.663  15.818   7.185
  218    HE1  MET  29           HE3      MET  29  13.137  12.571   5.507
  219    HE2  MET  29           HE1      MET  29  12.565  12.746   7.193
  220    HE3  MET  29           HE2      MET  29  11.414  12.939   5.849
  221    H    VAL  30           H        VAL  30  18.648  12.945   6.102
  222    HA   VAL  30           HA       VAL  30  19.607  14.242   3.883
  223    HB   VAL  30           HB       VAL  30  20.905  13.906   5.904
  224   HG11  VAL  30          HG11      VAL  30  21.392  11.032   4.996
  225   HG12  VAL  30          HG12      VAL  30  22.114  11.844   6.398
  226   HG13  VAL  30          HG13      VAL  30  20.377  11.509   6.376
  227   HG21  VAL  30          HG23      VAL  30  22.025  14.521   3.774
  228   HG22  VAL  30          HG21      VAL  30  23.094  13.622   4.869
  229   HG23  VAL  30          HG22      VAL  30  22.368  12.814   3.460
  230    H    SER  31           H        SER  31  19.037  10.686   4.125
  231    HA   SER  31           HA       SER  31  20.309  10.013   1.731
  232    HB2  SER  31           HB2      SER  31  17.764   8.758   2.844
  233    HB3  SER  31           HB3      SER  31  19.019   7.977   1.867
  234    HG   SER  31           HG       SER  31  19.905   7.496   3.673
  235    H    LEU  32           H        LEU  32  17.309  11.741   2.192
  236    HA   LEU  32           HA       LEU  32  16.445  11.330  -0.616
  237    HB2  LEU  32           HB2      LEU  32  15.226  12.737   1.806
  238    HB3  LEU  32           HB3      LEU  32  14.517  12.841   0.217
  239    HG   LEU  32           HG       LEU  32  15.027  10.197   1.652
  240   HD11  LEU  32          HD11      LEU  32  13.449  11.564   2.930
  241   HD12  LEU  32          HD12      LEU  32  12.461  11.820   1.478
  242   HD13  LEU  32          HD13      LEU  32  12.630  10.197   2.175
  243   HD21  LEU  32          HD23      LEU  32  13.249  10.821  -0.750
  244   HD22  LEU  32          HD21      LEU  32  14.828  10.002  -0.846
  245   HD23  LEU  32          HD22      LEU  32  13.517   9.239   0.007
  246    H    LEU  33           H        LEU  33  17.667  13.852   1.641
  247    HA   LEU  33           HA       LEU  33  17.629  16.031  -0.080
  248    HB2  LEU  33           HB2      LEU  33  18.210  16.042   2.354
  249    HB3  LEU  33           HB3      LEU  33  19.764  15.316   1.955
  250    HG   LEU  33           HG       LEU  33  20.400  17.333   0.664
  251   HD11  LEU  33          HD11      LEU  33  17.744  18.485   1.606
  252   HD12  LEU  33          HD12      LEU  33  19.058  19.382   0.816
  253   HD13  LEU  33          HD13      LEU  33  18.207  18.138  -0.074
  254   HD21  LEU  33          HD23      LEU  33  19.487  17.947   3.490
  255   HD22  LEU  33          HD21      LEU  33  20.951  17.049   3.054
  256   HD23  LEU  33          HD22      LEU  33  20.797  18.735   2.579
  257    H    ASP  34           H        ASP  34  20.062  13.479   0.318
  258    HA   ASP  34           HA       ASP  34  22.096  14.563  -1.253
  259    HB2  ASP  34           HB2      ASP  34  22.516  12.869   0.433
  260    HB3  ASP  34           HB3      ASP  34  21.404  11.737  -0.326
  261    H    LYS  35           H        LYS  35  19.312  12.798  -2.349
  262    HA   LYS  35           HA       LYS  35  20.496  12.882  -5.110
  263    HB2  LYS  35           HB2      LYS  35  18.167  11.128  -4.385
  264    HB3  LYS  35           HB3      LYS  35  19.065  11.190  -5.882
  265    HG2  LYS  35           HG2      LYS  35  19.846   9.252  -4.946
  266    HG3  LYS  35           HG3      LYS  35  21.117  10.404  -4.493
  267    HD2  LYS  35           HD2      LYS  35  20.223  10.552  -2.225
  268    HD3  LYS  35           HD3      LYS  35  18.744   9.717  -2.705
  269    HE2  LYS  35           HE2      LYS  35  20.121   8.289  -1.391
  270    HE3  LYS  35           HE3      LYS  35  19.959   7.643  -3.028
  271    HZ1  LYS  35           HZ3      LYS  35  22.271   7.614  -2.016
  272    HZ2  LYS  35           HZ1      LYS  35  22.187   8.299  -3.506
  273    HZ3  LYS  35           HZ2      LYS  35  22.315   9.251  -2.181
  274    H    ASN  36           H        ASN  36  19.154  15.003  -3.429
  275    HA   ASN  36           HA       ASN  36  17.694  16.663  -3.650
  276    HB2  ASN  36           HB2      ASN  36  17.737  16.177  -6.630
  277    HB3  ASN  36           HB3      ASN  36  17.244  17.646  -5.802
  278   HD21  ASN  36          HD22      ASN  36  19.938  15.595  -6.607
  279   HD22  ASN  36          HD21      ASN  36  21.221  16.740  -6.254
  280    H    TYR  37           H        TYR  37  16.376  14.108  -3.037
  281    HA   TYR  37           HA       TYR  37  13.800  14.164  -4.452
  282    HB2  TYR  37           HB2      TYR  37  14.782  12.857  -1.904
  283    HB3  TYR  37           HB3      TYR  37  13.082  12.894  -2.303
  284    HD1  TYR  37           HD2      TYR  37  16.364  11.383  -3.184
  285    HD2  TYR  37           HD1      TYR  37  12.125  11.486  -3.985
  286    HE1  TYR  37           HE2      TYR  37  16.609   9.463  -4.724
  287    HE2  TYR  37           HE1      TYR  37  12.373   9.565  -5.534
  288    HH   TYR  37           HH       TYR  37  15.545   8.052  -6.247
  289    H    ILE  38           H        ILE  38  15.377  16.012  -2.004
  290    HA   ILE  38           HA       ILE  38  13.018  17.717  -1.607
  291    HB   ILE  38           HB       ILE  38  13.482  17.799   0.839
  292   HG12  ILE  38          HG12      ILE  38  15.344  15.452   0.296
  293   HG13  ILE  38          HG13      ILE  38  15.846  17.086   0.751
  294   HG21  ILE  38          HG21      ILE  38  12.375  15.734   1.467
  295   HG22  ILE  38          HG22      ILE  38  11.696  16.315  -0.042
  296   HG23  ILE  38          HG23      ILE  38  12.849  14.960  -0.051
  297   HD11  ILE  38          HD13      ILE  38  14.729  16.817   2.934
  298   HD12  ILE  38          HD11      ILE  38  14.329  15.129   2.498
  299   HD13  ILE  38          HD12      ILE  38  16.019  15.633   2.613
  300    H    SER  39           H        SER  39  13.803  19.691  -0.335
  301    HA   SER  39           HA       SER  39  16.522  20.583  -1.177
  302    HB2  SER  39           HB2      SER  39  14.147  22.329  -0.429
  303    HB3  SER  39           HB3      SER  39  15.605  22.786  -1.323
  304    HG   SER  39           HG       SER  39  13.477  21.089  -2.168
  305    H    GLU  40           H        GLU  40  17.597  22.010   0.505
  306    HA   GLU  40           HA       GLU  40  17.639  20.733   3.012
  307    HB2  GLU  40           HB2      GLU  40  18.644  23.499   2.240
  308    HB3  GLU  40           HB3      GLU  40  19.069  22.632   3.724
  309    HG2  GLU  40           HG2      GLU  40  20.047  20.786   2.358
  310    HG3  GLU  40           HG3      GLU  40  19.680  21.677   0.890
  311    H    ASN  41           H        ASN  41  15.732  23.551   2.013
  312    HA   ASN  41           HA       ASN  41  14.869  24.441   4.564
  313    HB2  ASN  41           HB2      ASN  41  14.404  25.649   2.445
  314    HB3  ASN  41           HB3      ASN  41  13.309  24.357   1.935
  315   HD21  ASN  41          HD22      ASN  41  11.175  24.223   2.913
  316   HD22  ASN  41          HD21      ASN  41  10.590  25.500   3.956
  317    H    TYR  42           H        TYR  42  13.867  21.574   2.699
  318    HA   TYR  42           HA       TYR  42  11.349  21.140   3.948
  319    HB2  TYR  42           HB2      TYR  42  12.209  20.095   1.834
  320    HB3  TYR  42           HB3      TYR  42  13.328  19.136   2.798
  321    HD1  TYR  42           HD1      TYR  42   9.745  19.725   2.041
  322    HD2  TYR  42           HD2      TYR  42  12.625  17.156   3.966
  323    HE1  TYR  42           HE1      TYR  42   8.035  17.918   2.207
  324    HE2  TYR  42           HE2      TYR  42  10.938  15.355   4.115
  325    HH   TYR  42           HH       TYR  42   8.801  14.664   3.556
  326    H    ILE  43           H        ILE  43  14.659  19.996   4.741
  327    HA   ILE  43           HA       ILE  43  13.972  18.449   7.034
  328    HB   ILE  43           HB       ILE  43  16.539  19.969   6.330
  329   HG12  ILE  43          HG12      ILE  43  17.119  17.310   6.018
  330   HG13  ILE  43          HG13      ILE  43  15.419  17.309   5.534
  331   HG21  ILE  43          HG21      ILE  43  16.411  19.421   8.757
  332   HG22  ILE  43          HG22      ILE  43  16.162  17.710   8.342
  333   HG23  ILE  43          HG23      ILE  43  17.683  18.523   7.923
  334   HD11  ILE  43          HD13      ILE  43  17.616  19.064   4.386
  335   HD12  ILE  43          HD11      ILE  43  16.984  17.582   3.653
  336   HD13  ILE  43          HD12      ILE  43  15.929  19.000   3.805
  337    H    GLN  44           H        GLN  44  14.933  21.932   6.692
  338    HA   GLN  44           HA       GLN  44  14.718  22.317   9.504
  339    HB2  GLN  44           HB2      GLN  44  16.075  23.682   7.732
  340    HB3  GLN  44           HB3      GLN  44  14.595  24.617   7.552
  341    HG2  GLN  44           HG2      GLN  44  16.083  25.695   9.183
  342    HG3  GLN  44           HG3      GLN  44  14.648  25.117  10.016
  343   HE21  GLN  44          HE22      GLN  44  15.255  24.341  12.076
  344   HE22  GLN  44          HE21      GLN  44  16.604  23.272  12.366
  345    H    ALA  45           H        ALA  45  12.260  22.505   6.982
  346    HA   ALA  45           HA       ALA  45  10.296  23.929   8.432
  347    HB1  ALA  45           HB3      ALA  45  10.082  23.297   6.028
  348    HB2  ALA  45           HB1      ALA  45   9.859  21.593   6.506
  349    HB3  ALA  45           HB2      ALA  45   8.667  22.801   6.983
  350    H    ILE  46           H        ILE  46  11.198  20.428   8.515
  351    HA   ILE  46           HA       ILE  46   9.064  19.733  10.335
  352    HB   ILE  46           HB       ILE  46  11.716  18.312   9.896
  353   HG12  ILE  46          HG12      ILE  46   9.086  17.738   8.488
  354   HG13  ILE  46          HG13      ILE  46  10.399  18.637   7.748
  355   HG21  ILE  46          HG21      ILE  46  10.557  16.359  10.811
  356   HG22  ILE  46          HG22      ILE  46  10.373  17.678  11.950
  357   HG23  ILE  46          HG23      ILE  46   9.021  17.250  10.886
  358   HD11  ILE  46          HD13      ILE  46  10.600  15.740   8.634
  359   HD12  ILE  46          HD11      ILE  46  10.501  16.349   6.982
  360   HD13  ILE  46          HD12      ILE  46  11.920  16.724   7.985
  361    H    LYS  47           H        LYS  47  12.574  20.581  10.717
  362    HA   LYS  47           HA       LYS  47  12.605  20.214  13.523
  363    HB2  LYS  47           HB2      LYS  47  14.152  22.121  11.734
  364    HB3  LYS  47           HB3      LYS  47  14.541  21.889  13.439
  365    HG2  LYS  47           HG2      LYS  47  15.254  19.633  13.091
  366    HG3  LYS  47           HG3      LYS  47  14.604  19.591  11.436
  367    HD2  LYS  47           HD2      LYS  47  16.160  21.294  10.722
  368    HD3  LYS  47           HD3      LYS  47  16.799  21.465  12.380
  369    HE2  LYS  47           HE2      LYS  47  17.795  19.299  12.270
  370    HE3  LYS  47           HE3      LYS  47  17.086  18.965  10.689
  371    HZ1  LYS  47           HZ3      LYS  47  18.428  20.861   9.829
  372    HZ2  LYS  47           HZ1      LYS  47  19.088  21.091  11.296
  373    HZ3  LYS  47           HZ2      LYS  47  19.390  19.714  10.486
  374    H    ASP  48           H        ASP  48  11.762  23.150  11.583
  375    HA   ASP  48           HA       ASP  48  11.296  24.882  13.778
  376    HB2  ASP  48           HB2      ASP  48  11.574  25.699  11.505
  377    HB3  ASP  48           HB3      ASP  48  10.129  24.833  10.973
  378    H    SER  49           H        SER  49   9.116  22.591  12.072
  379    HA   SER  49           HA       SER  49   6.753  23.234  13.558
  380    HB2  SER  49           HB2      SER  49   7.571  20.578  12.301
  381    HB3  SER  49           HB3      SER  49   5.937  21.098  12.725
  382    HG   SER  49           HG       SER  49   7.649  22.192  10.740
  383    H    THR  50           H        THR  50   9.505  21.063  14.186
  384    HA   THR  50           HA       THR  50   8.465  19.898  16.568
  385    HB   THR  50           HB       THR  50  11.369  20.206  15.717
  386    HG1  THR  50           HG1      THR  50  10.127  19.235  14.069
  387   HG21  THR  50          HG23      THR  50  10.033  18.026  17.351
  388   HG22  THR  50          HG21      THR  50  11.763  18.195  16.954
  389   HG23  THR  50          HG22      THR  50  10.998  19.357  18.042
  390    H    ILE  51           H        ILE  51  10.435  22.865  15.987
  391    HA   ILE  51           HA       ILE  51  10.719  23.571  18.752
  392    HB   ILE  51           HB       ILE  51  10.724  25.192  16.174
  393   HG12  ILE  51          HG12      ILE  51  12.981  24.449  18.083
  394   HG13  ILE  51          HG13      ILE  51  12.570  23.531  16.641
  395   HG21  ILE  51          HG21      ILE  51  11.652  27.099  17.449
  396   HG22  ILE  51          HG22      ILE  51  10.010  26.737  17.939
  397   HG23  ILE  51          HG23      ILE  51  11.367  26.219  18.968
  398   HD11  ILE  51          HD13      ILE  51  13.631  26.374  16.698
  399   HD12  ILE  51          HD11      ILE  51  14.434  24.917  16.101
  400   HD13  ILE  51          HD12      ILE  51  13.025  25.556  15.236
  401    H    ASN  52           H        ASN  52   8.153  24.208  16.332
  402    HA   ASN  52           HA       ASN  52   6.722  26.140  17.822
  403    HB2  ASN  52           HB2      ASN  52   6.100  24.316  15.498
  404    HB3  ASN  52           HB3      ASN  52   4.741  25.007  16.337
  405   HD21  ASN  52          HD22      ASN  52   7.777  25.936  14.646
  406   HD22  ASN  52          HD21      ASN  52   7.215  27.527  14.194
  407    H    ASN  53           H        ASN  53   6.566  22.611  17.908
  408    HA   ASN  53           HA       ASN  53   4.582  22.679  20.135
  409    HB2  ASN  53           HB2      ASN  53   3.021  22.577  18.436
  410    HB3  ASN  53           HB3      ASN  53   4.136  21.874  17.283
  411   HD21  ASN  53          HD22      ASN  53   3.945  19.749  16.811
  412   HD22  ASN  53          HD21      ASN  53   3.027  18.594  17.747
  413    H    GLY  54           H        GLY  54   6.376  20.499  17.865
  414    HA2  GLY  54           HA2      GLY  54   8.062  19.078  19.381
  415    HA3  GLY  54           HA3      GLY  54   6.498  18.407  19.902
  416    HA   PRO  55           HA       PRO  55   7.993  16.097  16.003
  417    HB2  PRO  55           HB2      PRO  55   6.868  14.089  18.000
  418    HB3  PRO  55           HB3      PRO  55   8.039  13.796  16.664
  419    HG2  PRO  55           HG2      PRO  55   8.987  14.180  19.129
  420    HG3  PRO  55           HG3      PRO  55   9.685  15.126  17.779
  421    HD2  PRO  55           HD2      PRO  55   7.605  16.025  19.788
  422    HD3  PRO  55           HD3      PRO  55   9.078  16.886  19.239
  423    H    TYR  56           H        TYR  56   6.573  16.404  14.437
  424    HA   TYR  56           HA       TYR  56   3.681  16.505  14.916
  425    HB2  TYR  56           HB2      TYR  56   5.534  17.134  12.652
  426    HB3  TYR  56           HB3      TYR  56   3.939  16.571  12.201
  427    HD1  TYR  56           HD1      TYR  56   5.525  19.023  14.567
  428    HD2  TYR  56           HD2      TYR  56   2.192  18.082  12.009
  429    HE1  TYR  56           HE1      TYR  56   4.544  21.262  15.034
  430    HE2  TYR  56           HE2      TYR  56   1.196  20.309  12.468
  431    HH   TYR  56           HH       TYR  56   2.764  22.720  14.627
  432    H    TYR  57           H        TYR  57   5.912  13.994  14.300
  433    HA   TYR  57           HA       TYR  57   3.818  12.180  13.234
  434    HB2  TYR  57           HB2      TYR  57   6.579  12.673  12.150
  435    HB3  TYR  57           HB3      TYR  57   5.603  11.243  11.814
  436    HD1  TYR  57           HD1      TYR  57   3.508  11.356  10.537
  437    HD2  TYR  57           HD2      TYR  57   5.945  14.871  11.144
  438    HE1  TYR  57           HE1      TYR  57   2.234  12.535   8.778
  439    HE2  TYR  57           HE2      TYR  57   4.698  16.044   9.360
  440    HH   TYR  57           HH       TYR  57   1.910  14.553   7.653
  441    H    ILE  58           H        ILE  58   3.540  10.862  14.976
  442    HA   ILE  58           HA       ILE  58   5.817   9.378  16.101
  443    HB   ILE  58           HB       ILE  58   3.716  10.858  17.737
  444   HG12  ILE  58          HG12      ILE  58   5.700  12.242  17.151
  445   HG13  ILE  58          HG13      ILE  58   5.446  12.011  18.867
  446   HG21  ILE  58          HG21      ILE  58   4.819   9.775  19.743
  447   HG22  ILE  58          HG22      ILE  58   3.871   8.684  18.734
  448   HG23  ILE  58          HG23      ILE  58   5.639   8.666  18.619
  449   HD11  ILE  58          HD13      ILE  58   7.541  10.558  17.200
  450   HD12  ILE  58          HD11      ILE  58   7.844  11.868  18.360
  451   HD13  ILE  58          HD12      ILE  58   7.260  10.316  18.937
  452    H    LEU  59           H        LEU  59   5.155   7.243  16.444
  453    HA   LEU  59           HA       LEU  59   2.351   6.574  15.598
  454    HB2  LEU  59           HB2      LEU  59   4.955   5.440  14.561
  455    HB3  LEU  59           HB3      LEU  59   3.385   4.669  14.375
  456    HG   LEU  59           HG       LEU  59   2.745   7.248  13.606
  457   HD11  LEU  59          HD11      LEU  59   5.187   7.872  13.787
  458   HD12  LEU  59          HD12      LEU  59   5.517   6.758  12.461
  459   HD13  LEU  59          HD13      LEU  59   4.444   8.173  12.227
  460   HD21  LEU  59          HD23      LEU  59   2.124   5.154  12.547
  461   HD22  LEU  59          HD21      LEU  59   2.587   6.400  11.393
  462   HD23  LEU  59          HD22      LEU  59   3.723   5.067  11.762
  463    H    ALA  60           H        ALA  60   5.098   5.786  17.644
  464    HA   ALA  60           HA       ALA  60   3.555   4.048  19.323
  465    HB1  ALA  60           HB3      ALA  60   5.857   2.880  17.660
  466    HB2  ALA  60           HB1      ALA  60   5.071   2.063  19.023
  467    HB3  ALA  60           HB2      ALA  60   4.157   2.408  17.546
  468    HA   PRO  61           HA       PRO  61   6.586   5.715  22.157
  469    HB2  PRO  61           HB2      PRO  61   7.139   2.884  23.073
  470    HB3  PRO  61           HB3      PRO  61   6.875   4.359  24.054
  471    HG2  PRO  61           HG2      PRO  61   4.866   2.572  23.703
  472    HG3  PRO  61           HG3      PRO  61   4.529   4.331  23.590
  473    HD2  PRO  61           HD2      PRO  61   4.931   2.346  21.344
  474    HD3  PRO  61           HD3      PRO  61   3.712   3.648  21.500
  475    H    GLY  62           H        GLY  62   8.400   6.513  21.235
  476    HA2  GLY  62           HA2      GLY  62  10.620   6.543  20.759
  477    HA3  GLY  62           HA3      GLY  62  10.721   4.778  20.810
  478    H    VAL  63           H        VAL  63   8.180   5.985  18.711
  479    HA   VAL  63           HA       VAL  63   9.958   5.604  16.349
  480    HB   VAL  63           HB       VAL  63   7.136   4.534  16.660
  481   HG11  VAL  63          HG11      VAL  63   7.637   3.308  14.585
  482   HG12  VAL  63          HG12      VAL  63   7.799   5.041  14.326
  483   HG13  VAL  63          HG13      VAL  63   9.254   4.044  14.518
  484   HG21  VAL  63          HG23      VAL  63   9.799   3.065  16.894
  485   HG22  VAL  63          HG21      VAL  63   8.549   3.216  18.144
  486   HG23  VAL  63          HG22      VAL  63   8.222   2.267  16.701
  487    H    ALA  64           H        ALA  64   9.831   7.164  14.892
  488    HA   ALA  64           HA       ALA  64   7.515   9.031  14.856
  489    HB1  ALA  64           HB3      ALA  64   9.116  10.882  14.434
  490    HB2  ALA  64           HB1      ALA  64   9.463  10.105  15.983
  491    HB3  ALA  64           HB2      ALA  64  10.463   9.735  14.562
  492    H    MET  65           H        MET  65   7.533  10.299  12.717
  493    HA   MET  65           HA       MET  65   8.755   8.796  10.513
  494    HB2  MET  65           HB2      MET  65   6.642   7.688  10.791
  495    HB3  MET  65           HB3      MET  65   5.788   9.236  10.703
  496    HG2  MET  65           HG2      MET  65   7.044   9.309   8.299
  497    HG3  MET  65           HG3      MET  65   6.998   7.568   8.532
  498    HE1  MET  65           HE3      MET  65   4.935   6.245   9.004
  499    HE2  MET  65           HE1      MET  65   4.286   7.297  10.277
  500    HE3  MET  65           HE2      MET  65   3.239   6.812   8.933
  501    HA   PRO  66           HA       PRO  66   8.665  13.425  10.421
  502    HB2  PRO  66           HB2      PRO  66  11.445  12.977   9.238
  503    HB3  PRO  66           HB3      PRO  66  10.921  14.251  10.378
  504    HG2  PRO  66           HG2      PRO  66  12.276  12.134  11.316
  505    HG3  PRO  66           HG3      PRO  66  10.829  12.708  12.197
  506    HD2  PRO  66           HD2      PRO  66  11.018  10.415  10.216
  507    HD3  PRO  66           HD3      PRO  66  10.269  10.443  11.839
  508    H    HIS  67           H        HIS  67   8.557  14.873   8.679
  509    HA   HIS  67           HA       HIS  67   8.656  14.560   5.917
  510    HB2  HIS  67           HB2      HIS  67   7.212  12.677   5.878
  511    HB3  HIS  67           HB3      HIS  67   6.237  13.277   7.205
  512    HD1  HIS  67           HD1      HIS  67   4.094  14.628   6.628
  513    HD2  HIS  67           HD2      HIS  67   6.555  13.802   3.292
  514    HE1  HIS  67           HE1      HIS  67   2.711  15.088   4.556
  515    H    ALA  68           H        ALA  68   7.467  16.341   4.914
  516    HA   ALA  68           HA       ALA  68   5.984  18.228   6.611
  517    HB1  ALA  68           HB3      ALA  68   8.396  19.035   4.928
  518    HB2  ALA  68           HB1      ALA  68   7.241  20.139   5.700
  519    HB3  ALA  68           HB2      ALA  68   8.282  19.125   6.699
  520    H    ARG  69           H        ARG  69   4.868  19.808   5.095
  521    HA   ARG  69           HA       ARG  69   3.427  18.413   3.093
  522    HB2  ARG  69           HB2      ARG  69   4.020  21.359   3.518
  523    HB3  ARG  69           HB3      ARG  69   2.962  20.767   2.223
  524    HG2  ARG  69           HG2      ARG  69   1.469  19.741   3.965
  525    HG3  ARG  69           HG3      ARG  69   2.467  20.536   5.216
  526    HD2  ARG  69           HD2      ARG  69   2.064  22.734   4.093
  527    HD3  ARG  69           HD3      ARG  69   1.063  21.909   2.881
  528    HE   ARG  69           HE       ARG  69   0.061  21.398   5.510
  529   HH11  ARG  69          HH11      ARG  69   0.268  23.933   3.006
  530   HH12  ARG  69          HH12      ARG  69  -1.173  24.747   3.529
  531   HH21  ARG  69          HH21      ARG  69  -1.865  22.490   6.186
  532   HH22  ARG  69          HH22      ARG  69  -2.408  23.904   5.368
  533    HA   PRO  70           HA       PRO  70   6.205  18.146  -0.387
  534    HB2  PRO  70           HB2      PRO  70   3.826  19.362  -1.879
  535    HB3  PRO  70           HB3      PRO  70   4.915  18.068  -2.431
  536    HG2  PRO  70           HG2      PRO  70   2.509  17.448  -1.364
  537    HG3  PRO  70           HG3      PRO  70   3.950  16.514  -0.846
  538    HD2  PRO  70           HD2      PRO  70   2.533  18.751   0.602
  539    HD3  PRO  70           HD3      PRO  70   3.253  17.246   1.252
  540    H    GLU  71           H        GLU  71   4.168  21.131  -0.152
  541    HA   GLU  71           HA       GLU  71   5.752  22.836  -1.699
  542    HB2  GLU  71           HB2      GLU  71   4.416  24.615  -0.862
  543    HB3  GLU  71           HB3      GLU  71   3.375  23.203  -1.027
  544    HG2  GLU  71           HG2      GLU  71   3.581  22.795   1.431
  545    HG3  GLU  71           HG3      GLU  71   4.568  24.244   1.590
  546    H    CYS  72           H        CYS  72   6.627  21.574   1.373
  547    HA   CYS  72           HA       CYS  72   8.129  23.924   2.277
  548    HB2  CYS  72           HB2      CYS  72   8.042  21.043   3.282
  549    HB3  CYS  72           HB3      CYS  72   8.916  22.375   4.054
  550    HG   CYS  72           HG       CYS  72   6.844  23.937   4.401
  551    H    GLY  73           H        GLY  73   8.643  21.790  -0.241
  552    HA2  GLY  73           HA2      GLY  73  10.685  22.515  -1.440
  553    HA3  GLY  73           HA3      GLY  73  11.621  22.101   0.000
  554    H    ALA  74           H        ALA  74   8.960  19.924  -0.806
  555    HA   ALA  74           HA       ALA  74  10.812  17.749  -1.445
  556    HB1  ALA  74           HB3      ALA  74   8.593  17.360  -0.360
  557    HB2  ALA  74           HB1      ALA  74   7.829  17.923  -1.876
  558    HB3  ALA  74           HB2      ALA  74   8.833  16.462  -1.875
  559    H    LEU  75           H        LEU  75  11.158  16.849  -3.425
  560    HA   LEU  75           HA       LEU  75  10.470  18.480  -5.837
  561    HB2  LEU  75           HB2      LEU  75  13.111  17.179  -5.099
  562    HB3  LEU  75           HB3      LEU  75  12.781  17.995  -6.621
  563    HG   LEU  75           HG       LEU  75  12.829  19.329  -3.877
  564   HD11  LEU  75          HD11      LEU  75  14.868  19.360  -6.140
  565   HD12  LEU  75          HD12      LEU  75  14.947  20.339  -4.656
  566   HD13  LEU  75          HD13      LEU  75  15.050  18.579  -4.555
  567   HD21  LEU  75          HD23      LEU  75  12.625  20.552  -6.671
  568   HD22  LEU  75          HD21      LEU  75  11.346  20.547  -5.438
  569   HD23  LEU  75          HD22      LEU  75  12.830  21.456  -5.153
  570    H    LYS  76           H        LYS  76  11.191  15.290  -4.423
  571    HA   LYS  76           HA       LYS  76   9.780  13.992  -6.626
  572    HB2  LYS  76           HB2      LYS  76  12.522  13.112  -5.670
  573    HB3  LYS  76           HB3      LYS  76  11.512  12.252  -6.828
  574    HG2  LYS  76           HG2      LYS  76  11.736  14.168  -8.401
  575    HG3  LYS  76           HG3      LYS  76  12.789  15.003  -7.247
  576    HD2  LYS  76           HD2      LYS  76  13.429  12.265  -8.410
  577    HD3  LYS  76           HD3      LYS  76  13.949  13.788  -9.142
  578    HE2  LYS  76           HE2      LYS  76  15.218  14.399  -7.117
  579    HE3  LYS  76           HE3      LYS  76  14.666  12.931  -6.298
  580    HZ1  LYS  76           HZ3      LYS  76  16.336  12.976  -8.743
  581    HZ2  LYS  76           HZ1      LYS  76  16.879  12.740  -7.220
  582    HZ3  LYS  76           HZ2      LYS  76  15.885  11.631  -7.918
  583    H    THR  77           H        THR  77   8.972  11.833  -5.913
  584    HA   THR  77           HA       THR  77   8.487  11.846  -3.087
  585    HB   THR  77           HB       THR  77   7.447  10.241  -5.443
  586    HG1  THR  77           HG1      THR  77   6.111  11.785  -5.728
  587   HG21  THR  77          HG23      THR  77   6.296  10.514  -2.640
  588   HG22  THR  77          HG21      THR  77   5.551   9.649  -4.011
  589   HG23  THR  77          HG22      THR  77   7.059   9.053  -3.311
  590    H    GLY  78           H        GLY  78   9.274  10.404  -1.567
  591    HA2  GLY  78           HA2      GLY  78  10.417   7.848  -2.148
  592    HA3  GLY  78           HA3      GLY  78  11.685   9.074  -1.987
  593    H    MET  79           H        MET  79  11.996   7.344  -0.108
  594    HA   MET  79           HA       MET  79  11.032   8.518   2.411
  595    HB2  MET  79           HB2      MET  79  10.758   5.610   1.537
  596    HB3  MET  79           HB3      MET  79  10.684   6.114   3.218
  597    HG2  MET  79           HG2      MET  79   8.704   7.473   2.808
  598    HG3  MET  79           HG3      MET  79   8.734   7.034   1.097
  599    HE1  MET  79           HE3      MET  79   6.004   6.274   2.245
  600    HE2  MET  79           HE1      MET  79   6.702   5.840   0.664
  601    HE3  MET  79           HE2      MET  79   5.958   4.587   1.674
  602    H    SER  80           H        SER  80  12.183   7.410   4.247
  603    HA   SER  80           HA       SER  80  14.795   6.230   3.705
  604    HB2  SER  80           HB2      SER  80  15.657   8.117   5.428
  605    HB3  SER  80           HB3      SER  80  15.717   8.319   3.674
  606    HG   SER  80           HG       SER  80  14.531   9.903   5.366
  607    H    LEU  81           H        LEU  81  15.710   5.388   5.762
  608    HA   LEU  81           HA       LEU  81  13.821   5.015   8.009
  609    HB2  LEU  81           HB2      LEU  81  13.511   3.242   6.384
  610    HB3  LEU  81           HB3      LEU  81  15.248   2.994   6.206
  611    HG   LEU  81           HG       LEU  81  15.455   1.958   8.281
  612   HD11  LEU  81          HD11      LEU  81  13.710   1.640   9.919
  613   HD12  LEU  81          HD12      LEU  81  13.825   3.366   9.651
  614   HD13  LEU  81          HD13      LEU  81  12.517   2.435   8.900
  615   HD21  LEU  81          HD23      LEU  81  12.872   1.060   6.932
  616   HD22  LEU  81          HD21      LEU  81  14.489   0.750   6.302
  617   HD23  LEU  81          HD22      LEU  81  13.965   0.015   7.847
  618    H    THR  82           H        THR  82  14.904   5.428   9.891
  619    HA   THR  82           HA       THR  82  17.856   5.092  10.001
  620    HB   THR  82           HB       THR  82  16.141   7.449  10.950
  621    HG1  THR  82           HG1      THR  82  17.578   8.458   9.226
  622   HG21  THR  82          HG23      THR  82  19.177   7.026  11.048
  623   HG22  THR  82          HG21      THR  82  18.329   8.560  11.387
  624   HG23  THR  82          HG22      THR  82  18.069   7.165  12.428
  625    H    LEU  83           H        LEU  83  18.628   4.439  12.099
  626    HA   LEU  83           HA       LEU  83  16.665   4.314  14.289
  627    HB2  LEU  83           HB2      LEU  83  16.671   2.167  12.916
  628    HB3  LEU  83           HB3      LEU  83  18.303   1.871  13.507
  629    HG   LEU  83           HG       LEU  83  15.829   2.241  15.275
  630   HD11  LEU  83          HD11      LEU  83  15.443   0.295  13.932
  631   HD12  LEU  83          HD12      LEU  83  17.122  -0.263  14.163
  632   HD13  LEU  83          HD13      LEU  83  15.982  -0.253  15.513
  633   HD21  LEU  83          HD23      LEU  83  18.662   1.298  15.888
  634   HD22  LEU  83          HD21      LEU  83  17.717   2.597  16.663
  635   HD23  LEU  83          HD22      LEU  83  17.276   0.934  16.942
  636    H    LEU  84           H        LEU  84  17.600   4.808  16.193
  637    HA   LEU  84           HA       LEU  84  20.531   5.385  16.315
  638    HB2  LEU  84           HB2      LEU  84  18.184   6.545  17.872
  639    HB3  LEU  84           HB3      LEU  84  19.874   6.878  18.191
  640    HG   LEU  84           HG       LEU  84  19.233   8.770  17.126
  641   HD11  LEU  84          HD11      LEU  84  19.977   7.150  14.678
  642   HD12  LEU  84          HD12      LEU  84  20.255   8.876  14.955
  643   HD13  LEU  84          HD13      LEU  84  21.154   7.677  15.910
  644   HD21  LEU  84          HD23      LEU  84  17.541   7.209  15.140
  645   HD22  LEU  84          HD21      LEU  84  16.949   8.099  16.560
  646   HD23  LEU  84          HD22      LEU  84  17.727   8.971  15.229
  647    H    GLU  85           H        GLU  85  21.542   3.777  17.550
  648    HA   GLU  85           HA       GLU  85  20.144   1.802  18.979
  649    HB2  GLU  85           HB2      GLU  85  23.027   2.709  19.337
  650    HB3  GLU  85           HB3      GLU  85  22.339   1.232  20.006
  651    HG2  GLU  85           HG2      GLU  85  21.800   0.447  17.698
  652    HG3  GLU  85           HG3      GLU  85  22.633   1.858  17.043
  653    H    GLN  86           H        GLN  86  21.453   4.867  20.146
  654    HA   GLN  86           HA       GLN  86  20.583   4.272  22.931
  655    HB2  GLN  86           HB2      GLN  86  21.945   6.755  21.802
  656    HB3  GLN  86           HB3      GLN  86  21.664   6.392  23.493
  657    HG2  GLN  86           HG2      GLN  86  23.073   4.250  23.125
  658    HG3  GLN  86           HG3      GLN  86  23.600   4.994  21.616
  659   HE21  GLN  86          HE22      GLN  86  24.686   7.236  21.810
  660   HE22  GLN  86          HE21      GLN  86  25.528   7.593  23.299
  661    H    GLY  87           H        GLY  87  19.186   5.616  20.126
  662    HA2  GLY  87           HA2      GLY  87  17.374   6.973  19.748
  663    HA3  GLY  87           HA3      GLY  87  16.968   6.883  21.461
  664    H    VAL  88           H        VAL  88  16.452   9.280  20.456
  665    HA   VAL  88           HA       VAL  88  18.270  10.856  22.058
  666    HB   VAL  88           HB       VAL  88  18.834  10.876  19.372
  667   HG11  VAL  88          HG11      VAL  88  16.968  13.238  19.699
  668   HG12  VAL  88          HG12      VAL  88  18.007  12.861  18.328
  669   HG13  VAL  88          HG13      VAL  88  16.668  11.759  18.743
  670   HG21  VAL  88          HG23      VAL  88  20.205  11.768  21.138
  671   HG22  VAL  88          HG21      VAL  88  20.085  12.887  19.775
  672   HG23  VAL  88          HG22      VAL  88  19.158  13.210  21.262
  673    H    TYR  89           H        TYR  89  17.138  13.087  22.430
  674    HA   TYR  89           HA       TYR  89  14.284  12.344  22.843
  675    HB2  TYR  89           HB2      TYR  89  16.181  12.782  24.750
  676    HB3  TYR  89           HB3      TYR  89  15.476  14.379  24.634
  677    HD1  TYR  89           HD1      TYR  89  12.482  13.401  24.016
  678    HD2  TYR  89           HD2      TYR  89  15.518  12.238  26.897
  679    HE1  TYR  89           HE1      TYR  89  10.739  12.630  25.574
  680    HE2  TYR  89           HE2      TYR  89  13.759  11.470  28.444
  681    HH   TYR  89           HH       TYR  89  10.270  11.567  27.663
  682    H    PHE  90           H        PHE  90  12.886  13.456  21.678
  683    HA   PHE  90           HA       PHE  90  13.541  16.025  20.462
  684    HB2  PHE  90           HB2      PHE  90  11.282  14.033  20.509
  685    HB3  PHE  90           HB3      PHE  90  11.069  15.631  19.786
  686    HD1  PHE  90           HD2      PHE  90  13.457  12.661  19.573
  687    HD2  PHE  90           HD1      PHE  90  11.708  16.044  17.549
  688    HE1  PHE  90           HE2      PHE  90  14.510  11.952  17.456
  689    HE2  PHE  90           HE1      PHE  90  12.738  15.305  15.431
  690    HZ   PHE  90           HZ       PHE  90  14.132  13.251  15.369
  691    HA   PRO  91           HA       PRO  91  12.142  18.402  23.774
  692    HB2  PRO  91           HB2      PRO  91  11.460  20.807  22.663
  693    HB3  PRO  91           HB3      PRO  91  13.109  20.125  22.542
  694    HG2  PRO  91           HG2      PRO  91  10.860  19.901  20.509
  695    HG3  PRO  91           HG3      PRO  91  12.540  20.474  20.231
  696    HD2  PRO  91           HD2      PRO  91  11.838  17.894  19.739
  697    HD3  PRO  91           HD3      PRO  91  13.418  18.296  20.468
  698    H    GLY  92           H        GLY  92   9.621  17.237  21.818
  699    HA2  GLY  92           HA2      GLY  92   7.558  18.233  23.700
  700    HA3  GLY  92           HA3      GLY  92   7.409  18.674  21.996
  701    H    ASN  93           H        ASN  93   8.637  15.575  23.334
  702    HA   ASN  93           HA       ASN  93   6.087  14.221  22.761
  703    HB2  ASN  93           HB2      ASN  93   7.324  13.818  20.704
  704    HB3  ASN  93           HB3      ASN  93   8.768  13.335  21.614
  705   HD21  ASN  93          HD22      ASN  93   9.006  11.112  21.888
  706   HD22  ASN  93          HD21      ASN  93   7.717   9.955  21.724
  707    H    ASP  94           H        ASP  94   5.932  12.227  24.008
  708    HA   ASP  94           HA       ASP  94   6.830  12.739  26.631
  709    HB2  ASP  94           HB2      ASP  94   4.703  11.639  26.098
  710    HB3  ASP  94           HB3      ASP  94   5.568  10.231  25.478
  711    H    GLU  95           H        GLU  95   8.202  10.575  24.187
  712    HA   GLU  95           HA       GLU  95  10.334   9.824  26.104
  713    HB2  GLU  95           HB2      GLU  95   9.976   7.578  25.869
  714    HB3  GLU  95           HB3      GLU  95   8.352   8.203  25.897
  715    HG2  GLU  95           HG2      GLU  95   9.876   7.407  23.387
  716    HG3  GLU  95           HG3      GLU  95   8.746   6.380  24.246
  717    HA   PRO  96           HA       PRO  96  13.095  10.574  22.806
  718    HB2  PRO  96           HB2      PRO  96  15.160   8.810  23.130
  719    HB3  PRO  96           HB3      PRO  96  14.813  10.114  24.306
  720    HG2  PRO  96           HG2      PRO  96  14.033   7.196  24.463
  721    HG3  PRO  96           HG3      PRO  96  14.713   8.237  25.752
  722    HD2  PRO  96           HD2      PRO  96  12.027   7.691  25.447
  723    HD3  PRO  96           HD3      PRO  96  12.628   9.216  26.179
  724    H    ILE  97           H        ILE  97  13.609   9.975  20.676
  725    HA   ILE  97           HA       ILE  97  12.033   7.682  19.636
  726    HB   ILE  97           HB       ILE  97  13.479   9.887  18.126
  727   HG12  ILE  97          HG12      ILE  97  11.776  10.978  19.397
  728   HG13  ILE  97          HG13      ILE  97  11.200  10.853  17.749
  729   HG21  ILE  97          HG21      ILE  97  12.005   9.175  16.242
  730   HG22  ILE  97          HG22      ILE  97  13.146   7.918  16.702
  731   HG23  ILE  97          HG23      ILE  97  11.445   7.803  17.200
  732   HD11  ILE  97          HD13      ILE  97   9.699   8.987  18.409
  733   HD12  ILE  97          HD11      ILE  97  10.330   9.058  20.078
  734   HD13  ILE  97          HD12      ILE  97   9.459  10.427  19.426
  735    H    LYS  98           H        LYS  98  12.949   5.911  18.861
  736    HA   LYS  98           HA       LYS  98  15.928   5.804  18.642
  737    HB2  LYS  98           HB2      LYS  98  13.988   3.494  19.064
  738    HB3  LYS  98           HB3      LYS  98  15.747   3.416  18.951
  739    HG2  LYS  98           HG2      LYS  98  15.729   5.046  21.011
  740    HG3  LYS  98           HG3      LYS  98  14.031   4.592  21.169
  741    HD2  LYS  98           HD2      LYS  98  15.295   3.195  22.641
  742    HD3  LYS  98           HD3      LYS  98  14.778   2.163  21.292
  743    HE2  LYS  98           HE2      LYS  98  17.008   2.393  20.237
  744    HE3  LYS  98           HE3      LYS  98  17.493   3.560  21.467
  745    HZ1  LYS  98           HZ3      LYS  98  16.976   0.683  21.917
  746    HZ2  LYS  98           HZ1      LYS  98  18.413   1.482  21.994
  747    HZ3  LYS  98           HZ2      LYS  98  17.266   1.757  23.122
  748    H    LEU  99           H        LEU  99  12.924   5.720  16.828
  749    HA   LEU  99           HA       LEU  99  14.418   4.760  14.460
  750    HB2  LEU  99           HB2      LEU  99  13.478   2.773  15.546
  751    HB3  LEU  99           HB3      LEU  99  11.947   3.603  15.802
  752    HG   LEU  99           HG       LEU  99  11.478   3.521  13.365
  753   HD11  LEU  99          HD11      LEU  99  13.682   3.313  12.340
  754   HD12  LEU  99          HD12      LEU  99  14.031   1.827  13.235
  755   HD13  LEU  99          HD13      LEU  99  12.774   1.847  11.995
  756   HD21  LEU  99          HD23      LEU  99  12.112   0.834  14.651
  757   HD22  LEU  99          HD21      LEU  99  10.689   1.829  15.030
  758   HD23  LEU  99          HD22      LEU  99  10.878   1.175  13.415
  759    H    LEU 100           H        LEU 100  13.791   5.675  12.574
  760    HA   LEU 100           HA       LEU 100  11.399   7.447  12.568
  761    HB2  LEU 100           HB2      LEU 100  14.120   8.310  11.550
  762    HB3  LEU 100           HB3      LEU 100  12.662   9.258  11.615
  763    HG   LEU 100           HG       LEU 100  13.099   8.425  14.282
  764   HD11  LEU 100          HD11      LEU 100  15.713   9.359  13.090
  765   HD12  LEU 100          HD12      LEU 100  15.357   9.104  14.814
  766   HD13  LEU 100          HD13      LEU 100  15.362   7.722  13.699
  767   HD21  LEU 100          HD23      LEU 100  13.350  10.676  14.882
  768   HD22  LEU 100          HD21      LEU 100  13.919  11.143  13.282
  769   HD23  LEU 100          HD22      LEU 100  12.231  10.657  13.508
  770    H    ILE 101           H        ILE 101  10.295   7.341  10.605
  771    HA   ILE 101           HA       ILE 101  11.849   6.419   8.254
  772    HB   ILE 101           HB       ILE 101   9.006   5.682   9.017
  773   HG12  ILE 101          HG12      ILE 101  11.549   4.335   8.034
  774   HG13  ILE 101          HG13      ILE 101  10.718   4.117   9.577
  775   HG21  ILE 101          HG21      ILE 101   8.481   5.034   6.754
  776   HG22  ILE 101          HG22      ILE 101   8.741   6.757   6.831
  777   HG23  ILE 101          HG23      ILE 101  10.019   5.717   6.157
  778   HD11  ILE 101          HD13      ILE 101  10.347   2.166   8.265
  779   HD12  ILE 101          HD11      ILE 101   8.816   3.072   8.221
  780   HD13  ILE 101          HD12      ILE 101   9.946   3.112   6.829
  781    H    GLY 102           H        GLY 102  12.262   7.952   6.883
  782    HA2  GLY 102           HA2      GLY 102  10.889  10.549   7.040
  783    HA3  GLY 102           HA3      GLY 102  12.259  10.139   6.015
  784    H    LEU 103           H        LEU 103   9.634  11.339   5.231
  785    HA   LEU 103           HA       LEU 103   9.284   9.667   2.846
  786    HB2  LEU 103           HB2      LEU 103   7.388   9.072   4.510
  787    HB3  LEU 103           HB3      LEU 103   6.886  10.741   4.382
  788    HG   LEU 103           HG       LEU 103   6.715   8.510   2.297
  789   HD11  LEU 103          HD11      LEU 103   4.919   8.689   3.944
  790   HD12  LEU 103          HD12      LEU 103   4.739  10.428   3.643
  791   HD13  LEU 103          HD13      LEU 103   4.312   9.247   2.404
  792   HD21  LEU 103          HD23      LEU 103   6.430  11.496   1.813
  793   HD22  LEU 103          HD21      LEU 103   7.318  10.220   0.892
  794   HD23  LEU 103          HD22      LEU 103   5.581  10.303   0.839
  795    H    SER 104           H        SER 104   9.208  11.057   1.068
  796    HA   SER 104           HA       SER 104   8.539  13.904   1.438
  797    HB2  SER 104           HB2      SER 104  10.259  14.558  -0.140
  798    HB3  SER 104           HB3      SER 104  11.001  13.776   1.267
  799    HG   SER 104           HG       SER 104  10.831  12.935  -1.397
  800    H    ALA 105           H        ALA 105   7.368  14.741  -0.432
  801    HA   ALA 105           HA       ALA 105   6.853  12.825  -2.597
  802    HB1  ALA 105           HB3      ALA 105   5.146  12.274  -0.900
  803    HB2  ALA 105           HB1      ALA 105   4.645  13.989  -0.862
  804    HB3  ALA 105           HB2      ALA 105   4.432  13.030  -2.339
  805    H    ALA 106           H        ALA 106   6.495  13.839  -4.506
  806    HA   ALA 106           HA       ALA 106   6.977  16.684  -4.593
  807    HB1  ALA 106           HB3      ALA 106   6.788  16.373  -7.047
  808    HB2  ALA 106           HB1      ALA 106   7.837  15.138  -6.333
  809    HB3  ALA 106           HB2      ALA 106   6.171  14.725  -6.801
  810    H    ASP 107           H        ASP 107   4.114  14.681  -4.421
  811    HA   ASP 107           HA       ASP 107   2.399  17.095  -4.619
  812    HB2  ASP 107           HB2      ASP 107   2.377  16.093  -6.881
  813    HB3  ASP 107           HB3      ASP 107   1.928  14.531  -6.194
  814    H    ALA 108           H        ALA 108   0.360  16.821  -3.510
  815    HA   ALA 108           HA       ALA 108   0.616  15.457  -1.077
  816    HB1  ALA 108           HB3      ALA 108  -0.788  17.456  -1.379
  817    HB2  ALA 108           HB1      ALA 108  -1.904  16.527  -2.414
  818    HB3  ALA 108           HB2      ALA 108  -1.729  16.115  -0.696
  819    H    ASP 109           H        ASP 109  -0.896  14.337  -4.116
  820    HA   ASP 109           HA       ASP 109  -2.172  12.046  -2.786
  821    HB2  ASP 109           HB2      ASP 109  -3.203  12.970  -4.749
  822    HB3  ASP 109           HB3      ASP 109  -1.724  12.707  -5.701
  823    H    SER 110           H        SER 110   0.886  12.715  -4.467
  824    HA   SER 110           HA       SER 110   1.811   9.988  -4.517
  825    HB2  SER 110           HB2      SER 110   3.505  12.516  -4.309
  826    HB3  SER 110           HB3      SER 110   3.993  10.923  -4.893
  827    HG   SER 110           HG       SER 110   3.507  12.293  -6.630
  828    H    HIS 111           H        HIS 111   1.905  12.613  -2.078
  829    HA   HIS 111           HA       HIS 111   3.292  11.222  -0.016
  830    HB2  HIS 111           HB2      HIS 111   3.040  13.365   0.657
  831    HB3  HIS 111           HB3      HIS 111   1.579  13.590  -0.292
  832    HD1  HIS 111           HD1      HIS 111  -0.691  13.491   0.911
  833    HD2  HIS 111           HD2      HIS 111   2.625  12.392   3.252
  834    HE1  HIS 111           HE1      HIS 111  -1.519  13.400   3.337
  835    H    ILE 112           H        ILE 112  -0.237  11.356  -0.767
  836    HA   ILE 112           HA       ILE 112  -1.037   9.630   1.328
  837    HB   ILE 112           HB       ILE 112  -2.202  10.224  -1.422
  838   HG12  ILE 112          HG12      ILE 112  -2.198  12.095   0.241
  839   HG13  ILE 112          HG13      ILE 112  -3.778  11.630  -0.348
  840   HG21  ILE 112          HG21      ILE 112  -3.051   8.080  -0.937
  841   HG22  ILE 112          HG22      ILE 112  -3.400   8.520   0.753
  842   HG23  ILE 112          HG23      ILE 112  -4.329   9.251  -0.590
  843   HD11  ILE 112          HD13      ILE 112  -2.603  10.832   2.346
  844   HD12  ILE 112          HD11      ILE 112  -3.748  12.158   2.047
  845   HD13  ILE 112          HD12      ILE 112  -4.252  10.482   1.766
  846    H    GLY 113           H        GLY 113  -0.148   8.765  -2.095
  847    HA2  GLY 113           HA2      GLY 113  -0.505   5.989  -1.819
  848    HA3  GLY 113           HA3      GLY 113   0.615   6.778  -2.946
  849    H    ALA 114           H        ALA 114   2.321   8.013  -1.022
  850    HA   ALA 114           HA       ALA 114   4.150   5.871  -0.411
  851    HB1  ALA 114           HB3      ALA 114   5.453   7.785   0.562
  852    HB2  ALA 114           HB1      ALA 114   4.899   8.100  -1.083
  853    HB3  ALA 114           HB2      ALA 114   4.053   8.837   0.272
  854    H    ILE 115           H        ILE 115   2.207   8.062   1.758
  855    HA   ILE 115           HA       ILE 115   2.766   6.960   4.190
  856    HB   ILE 115           HB       ILE 115   0.458   8.268   2.943
  857   HG12  ILE 115          HG12      ILE 115   2.347   9.731   3.526
  858   HG13  ILE 115          HG13      ILE 115   0.881  10.146   4.377
  859   HG21  ILE 115          HG21      ILE 115  -0.629   8.496   5.189
  860   HG22  ILE 115          HG22      ILE 115  -0.737   6.944   4.358
  861   HG23  ILE 115          HG23      ILE 115   0.430   7.129   5.694
  862   HD11  ILE 115          HD13      ILE 115   2.804  10.339   5.851
  863   HD12  ILE 115          HD11      ILE 115   1.735   9.055   6.439
  864   HD13  ILE 115          HD12      ILE 115   3.236   8.648   5.576
  865    H    GLN 116           H        GLN 116   0.262   6.015   1.745
  866    HA   GLN 116           HA       GLN 116  -0.852   3.866   3.255
  867    HB2  GLN 116           HB2      GLN 116  -0.944   4.647   0.324
  868    HB3  GLN 116           HB3      GLN 116  -1.815   3.243   0.940
  869    HG2  GLN 116           HG2      GLN 116  -2.121   6.049   2.063
  870    HG3  GLN 116           HG3      GLN 116  -3.162   5.385   0.807
  871   HE21  GLN 116          HE22      GLN 116  -3.319   6.111   3.957
  872   HE22  GLN 116          HE21      GLN 116  -4.280   4.789   4.564
  873    H    ALA 117           H        ALA 117   2.213   3.992   1.840
  874    HA   ALA 117           HA       ALA 117   2.353   1.082   1.558
  875    HB1  ALA 117           HB3      ALA 117   4.529   1.412   0.498
  876    HB2  ALA 117           HB1      ALA 117   3.337   2.452  -0.312
  877    HB3  ALA 117           HB2      ALA 117   4.478   3.146   0.841
  878    H    LEU 118           H        LEU 118   3.782   3.892   3.282
  879    HA   LEU 118           HA       LEU 118   5.474   2.124   4.793
  880    HB2  LEU 118           HB2      LEU 118   6.142   4.031   6.037
  881    HB3  LEU 118           HB3      LEU 118   6.178   4.284   4.274
  882    HG   LEU 118           HG       LEU 118   4.324   5.698   4.314
  883   HD11  LEU 118          HD11      LEU 118   3.612   6.679   6.622
  884   HD12  LEU 118          HD12      LEU 118   2.879   5.204   6.161
  885   HD13  LEU 118          HD13      LEU 118   4.227   5.142   7.300
  886   HD21  LEU 118          HD23      LEU 118   5.472   7.571   5.633
  887   HD22  LEU 118          HD21      LEU 118   6.475   6.355   6.392
  888   HD23  LEU 118          HD22      LEU 118   6.598   6.626   4.642
  889    H    SER 119           H        SER 119   2.316   3.395   5.367
  890    HA   SER 119           HA       SER 119   2.100   2.599   8.085
  891    HB2  SER 119           HB2      SER 119  -0.405   2.472   7.581
  892    HB3  SER 119           HB3      SER 119   0.405   4.018   7.293
  893    HG   SER 119           HG       SER 119   0.383   3.677   5.139
  894    H    GLU 120           H        GLU 120   2.314   0.574   5.231
  895    HA   GLU 120           HA       GLU 120   1.073  -1.748   6.424
  896    HB2  GLU 120           HB2      GLU 120   3.196  -1.711   4.242
  897    HB3  GLU 120           HB3      GLU 120   2.135  -3.035   4.690
  898    HG2  GLU 120           HG2      GLU 120   0.170  -1.433   4.073
  899    HG3  GLU 120           HG3      GLU 120   1.404  -0.467   3.252
  900    H    LEU 121           H        LEU 121   4.031  -0.019   6.760
  901    HA   LEU 121           HA       LEU 121   5.386  -2.263   8.156
  902    HB2  LEU 121           HB2      LEU 121   6.465   0.477   7.352
  903    HB3  LEU 121           HB3      LEU 121   7.361  -0.788   8.166
  904    HG   LEU 121           HG       LEU 121   6.287  -0.751   5.336
  905   HD11  LEU 121          HD11      LEU 121   9.069  -1.124   6.538
  906   HD12  LEU 121          HD12      LEU 121   8.694  -1.120   4.807
  907   HD13  LEU 121          HD13      LEU 121   8.442   0.349   5.765
  908   HD21  LEU 121          HD23      LEU 121   5.833  -3.047   6.085
  909   HD22  LEU 121          HD21      LEU 121   7.270  -3.073   5.066
  910   HD23  LEU 121          HD22      LEU 121   7.446  -3.169   6.827
  911    H    LEU 122           H        LEU 122   5.077   1.304   8.847
  912    HA   LEU 122           HA       LEU 122   5.734   0.682  11.576
  913    HB2  LEU 122           HB2      LEU 122   4.578   3.256  10.422
  914    HB3  LEU 122           HB3      LEU 122   5.187   3.061  12.061
  915    HG   LEU 122           HG       LEU 122   6.773   3.049   9.485
  916   HD11  LEU 122          HD11      LEU 122   8.000   4.863  10.747
  917   HD12  LEU 122          HD12      LEU 122   6.290   5.231  10.461
  918   HD13  LEU 122          HD13      LEU 122   6.841   4.691  12.061
  919   HD21  LEU 122          HD23      LEU 122   7.751   1.224  10.821
  920   HD22  LEU 122          HD21      LEU 122   8.818   2.624  10.822
  921   HD23  LEU 122          HD22      LEU 122   7.823   2.292  12.249
  922    H    CYS 123           H        CYS 123   2.603   0.415  10.106
  923    HA   CYS 123           HA       CYS 123   1.349   0.666  12.786
  924    HB2  CYS 123           HB2      CYS 123  -0.094   0.420  10.129
  925    HB3  CYS 123           HB3      CYS 123  -0.780   0.812  11.700
  926    HG   CYS 123           HG       CYS 123  -0.790   2.970  10.260
  927    H    GLU 124           H        GLU 124   3.111  -1.510  11.989
  928    HA   GLU 124           HA       GLU 124   1.363  -3.740  12.777
  929    HB2  GLU 124           HB2      GLU 124   3.530  -3.750  10.650
  930    HB3  GLU 124           HB3      GLU 124   3.075  -5.214  11.518
  931    HG2  GLU 124           HG2      GLU 124   1.022  -3.531  10.055
  932    HG3  GLU 124           HG3      GLU 124   2.002  -4.742   9.229
  933    H    GLU 125           H        GLU 125   1.874  -3.972  14.818
  934    HA   GLU 125           HA       GLU 125   4.250  -3.012  16.024
  935    HB2  GLU 125           HB2      GLU 125   3.529  -4.171  18.026
  936    HB3  GLU 125           HB3      GLU 125   2.172  -3.356  17.249
  937    HG2  GLU 125           HG2      GLU 125   1.470  -5.562  16.252
  938    HG3  GLU 125           HG3      GLU 125   2.779  -6.346  17.137
  939    H    GLU 126           H        GLU 126   3.580  -6.038  14.409
  940    HA   GLU 126           HA       GLU 126   5.749  -7.588  15.385
  941    HB2  GLU 126           HB2      GLU 126   4.339  -7.595  12.684
  942    HB3  GLU 126           HB3      GLU 126   5.477  -8.839  13.205
  943    HG2  GLU 126           HG2      GLU 126   2.909  -8.136  14.676
  944    HG3  GLU 126           HG3      GLU 126   3.041  -9.413  13.473
  945    H    ILE 127           H        ILE 127   5.411  -5.386  12.610
  946    HA   ILE 127           HA       ILE 127   8.116  -5.603  11.667
  947    HB   ILE 127           HB       ILE 127   5.769  -3.867  11.154
  948   HG12  ILE 127          HG12      ILE 127   6.083  -4.551   8.860
  949   HG13  ILE 127          HG13      ILE 127   7.623  -5.327   9.254
  950   HG21  ILE 127          HG21      ILE 127   8.597  -3.087  10.447
  951   HG22  ILE 127          HG22      ILE 127   7.231  -2.603   9.446
  952   HG23  ILE 127          HG23      ILE 127   7.281  -2.070  11.124
  953   HD11  ILE 127          HD13      ILE 127   5.754  -6.922   8.892
  954   HD12  ILE 127          HD11      ILE 127   6.465  -7.076  10.503
  955   HD13  ILE 127          HD12      ILE 127   4.907  -6.233  10.290
  956    H    LEU 128           H        LEU 128   6.399  -3.297  13.841
  957    HA   LEU 128           HA       LEU 128   8.520  -1.504  14.133
  958    HB2  LEU 128           HB2      LEU 128   6.421  -2.320  16.183
  959    HB3  LEU 128           HB3      LEU 128   7.558  -1.008  16.433
  960    HG   LEU 128           HG       LEU 128   5.446  -1.094  14.238
  961   HD11  LEU 128          HD11      LEU 128   5.732   0.557  16.777
  962   HD12  LEU 128          HD12      LEU 128   4.461   0.764  15.549
  963   HD13  LEU 128          HD13      LEU 128   4.540  -0.726  16.496
  964   HD21  LEU 128          HD23      LEU 128   7.298   0.133  13.342
  965   HD22  LEU 128          HD21      LEU 128   6.154   1.334  13.945
  966   HD23  LEU 128          HD22      LEU 128   7.607   0.944  14.891
  967    H    GLU 129           H        GLU 129   8.012  -4.492  15.991
  968    HA   GLU 129           HA       GLU 129  10.264  -4.035  17.689
  969    HB2  GLU 129           HB2      GLU 129   8.422  -6.343  17.124
  970    HB3  GLU 129           HB3      GLU 129  10.009  -6.721  17.808
  971    HG2  GLU 129           HG2      GLU 129   9.662  -5.135  19.644
  972    HG3  GLU 129           HG3      GLU 129   8.064  -4.716  19.009
  973    H    GLN 130           H        GLN 130   9.857  -5.646  14.485
  974    HA   GLN 130           HA       GLN 130  12.455  -6.872  14.603
  975    HB2  GLN 130           HB2      GLN 130  10.373  -6.428  12.443
  976    HB3  GLN 130           HB3      GLN 130  11.938  -7.205  12.107
  977    HG2  GLN 130           HG2      GLN 130  11.543  -8.967  13.661
  978    HG3  GLN 130           HG3      GLN 130  10.062  -8.212  14.260
  979   HE21  GLN 130          HE22      GLN 130   8.190  -8.192  12.936
  980   HE22  GLN 130          HE21      GLN 130   7.986  -9.328  11.606
  981    H    LEU 131           H        LEU 131  11.160  -3.755  13.419
  982    HA   LEU 131           HA       LEU 131  13.666  -2.872  12.239
  983    HB2  LEU 131           HB2      LEU 131  11.427  -1.260  13.502
  984    HB3  LEU 131           HB3      LEU 131  12.780  -0.586  12.596
  985    HG   LEU 131           HG       LEU 131  10.842  -2.588  11.329
  986   HD11  LEU 131          HD11      LEU 131   9.576  -0.739  12.386
  987   HD12  LEU 131          HD12      LEU 131  10.482   0.424  11.387
  988   HD13  LEU 131          HD13      LEU 131   9.426  -0.768  10.611
  989   HD21  LEU 131          HD23      LEU 131  11.441  -1.480   9.238
  990   HD22  LEU 131          HD21      LEU 131  12.439  -0.311  10.112
  991   HD23  LEU 131          HD22      LEU 131  12.910  -2.026  10.062
  992    H    LEU 132           H        LEU 132  11.986  -2.183  15.353
  993    HA   LEU 132           HA       LEU 132  14.023  -0.657  16.494
  994    HB2  LEU 132           HB2      LEU 132  11.910  -2.397  17.776
  995    HB3  LEU 132           HB3      LEU 132  13.042  -1.499  18.765
  996    HG   LEU 132           HG       LEU 132  11.300  -0.127  16.683
  997   HD11  LEU 132          HD11      LEU 132   9.872  -1.239  18.352
  998   HD12  LEU 132          HD12      LEU 132  10.789  -0.473  19.668
  999   HD13  LEU 132          HD13      LEU 132   9.830   0.520  18.546
 1000   HD21  LEU 132          HD23      LEU 132  13.284   1.183  17.385
 1001   HD22  LEU 132          HD21      LEU 132  11.799   1.902  18.011
 1002   HD23  LEU 132          HD22      LEU 132  12.842   0.952  19.087
 1003    H    THR 133           H        THR 133  14.003  -4.170  16.283
 1004    HA   THR 133           HA       THR 133  16.367  -4.326  18.046
 1005    HB   THR 133           HB       THR 133  15.923  -6.760  17.992
 1006    HG1  THR 133           HG1      THR 133  13.500  -6.073  16.701
 1007   HG21  THR 133          HG23      THR 133  14.937  -5.357  19.777
 1008   HG22  THR 133          HG21      THR 133  13.475  -5.109  18.800
 1009   HG23  THR 133          HG22      THR 133  13.901  -6.733  19.370
 1010    H    ALA 134           H        ALA 134  16.075  -3.560  14.895
 1011    HA   ALA 134           HA       ALA 134  17.647  -5.389  13.456
 1012    HB1  ALA 134           HB3      ALA 134  17.387  -2.367  13.103
 1013    HB2  ALA 134           HB1      ALA 134  18.058  -3.494  11.914
 1014    HB3  ALA 134           HB2      ALA 134  16.345  -3.614  12.368
 1015    H    SER 135           H        SER 135  19.621  -6.106  14.086
 1016    HA   SER 135           HA       SER 135  21.476  -4.611  15.604
 1017    HB2  SER 135           HB2      SER 135  22.067  -6.956  13.754
 1018    HB3  SER 135           HB3      SER 135  22.954  -6.481  15.212
 1019    HG   SER 135           HG       SER 135  21.532  -8.239  15.590
 1020    H    SER 136           H        SER 136  20.836  -4.632  12.147
 1021    HA   SER 136           HA       SER 136  23.168  -2.912  11.584
 1022    HB2  SER 136           HB2      SER 136  22.614  -5.519  10.094
 1023    HB3  SER 136           HB3      SER 136  23.955  -4.403   9.810
 1024    HG   SER 136           HG       SER 136  24.766  -4.950  11.871
 1025    H    GLU 137           H        GLU 137  23.040  -1.937   9.499
 1026    HA   GLU 137           HA       GLU 137  20.624  -0.855   8.633
 1027    HB2  GLU 137           HB2      GLU 137  23.034  -0.166   8.210
 1028    HB3  GLU 137           HB3      GLU 137  23.116  -1.432   6.978
 1029    HG2  GLU 137           HG2      GLU 137  21.218  -0.266   5.784
 1030    HG3  GLU 137           HG3      GLU 137  21.330   1.020   7.001
 1031    H    LYS 138           H        LYS 138  22.264  -3.827   7.496
 1032    HA   LYS 138           HA       LYS 138  20.634  -4.344   5.297
 1033    HB2  LYS 138           HB2      LYS 138  22.764  -5.513   5.800
 1034    HB3  LYS 138           HB3      LYS 138  22.004  -6.326   7.168
 1035    HG2  LYS 138           HG2      LYS 138  22.218  -7.824   5.267
 1036    HG3  LYS 138           HG3      LYS 138  20.518  -7.570   5.652
 1037    HD2  LYS 138           HD2      LYS 138  20.306  -5.987   3.753
 1038    HD3  LYS 138           HD3      LYS 138  22.043  -6.163   3.409
 1039    HE2  LYS 138           HE2      LYS 138  21.696  -8.598   3.013
 1040    HE3  LYS 138           HE3      LYS 138  19.971  -8.407   3.351
 1041    HZ1  LYS 138           HZ3      LYS 138  20.417  -8.397   0.982
 1042    HZ2  LYS 138           HZ1      LYS 138  19.822  -6.946   1.417
 1043    HZ3  LYS 138           HZ2      LYS 138  21.419  -7.121   1.107
 1044    H    GLN 139           H        GLN 139  19.826  -4.999   8.769
 1045    HA   GLN 139           HA       GLN 139  17.650  -6.687   8.028
 1046    HB2  GLN 139           HB2      GLN 139  19.032  -7.093   9.966
 1047    HB3  GLN 139           HB3      GLN 139  18.777  -5.446  10.557
 1048    HG2  GLN 139           HG2      GLN 139  17.505  -6.972  11.820
 1049    HG3  GLN 139           HG3      GLN 139  16.471  -5.863  10.914
 1050   HE21  GLN 139          HE22      GLN 139  15.187  -6.751   9.119
 1051   HE22  GLN 139          HE21      GLN 139  14.981  -8.457   8.840
 1052    H    LEU 140           H        LEU 140  18.183  -3.186   8.607
 1053    HA   LEU 140           HA       LEU 140  15.353  -2.576   8.919
 1054    HB2  LEU 140           HB2      LEU 140  17.809  -0.954   8.217
 1055    HB3  LEU 140           HB3      LEU 140  16.202  -0.273   8.082
 1056    HG   LEU 140           HG       LEU 140  17.423  -1.387  10.621
 1057   HD11  LEU 140          HD11      LEU 140  18.314   0.841   9.722
 1058   HD12  LEU 140          HD12      LEU 140  16.697   1.503  10.023
 1059   HD13  LEU 140          HD13      LEU 140  17.651   0.856  11.357
 1060   HD21  LEU 140          HD23      LEU 140  14.701  -0.250  10.147
 1061   HD22  LEU 140          HD21      LEU 140  15.159  -1.778  10.929
 1062   HD23  LEU 140          HD22      LEU 140  15.468  -0.250  11.746
 1063    H    ALA 141           H        ALA 141  17.700  -2.414   6.206
 1064    HA   ALA 141           HA       ALA 141  15.908  -2.010   4.097
 1065    HB1  ALA 141           HB3      ALA 141  18.451  -3.689   4.041
 1066    HB2  ALA 141           HB1      ALA 141  17.646  -2.931   2.651
 1067    HB3  ALA 141           HB2      ALA 141  18.387  -1.921   3.902
 1068    H    ASP 142           H        ASP 142  16.711  -5.155   5.662
 1069    HA   ASP 142           HA       ASP 142  15.374  -6.810   3.820
 1070    HB2  ASP 142           HB2      ASP 142  16.754  -7.827   5.477
 1071    HB3  ASP 142           HB3      ASP 142  15.874  -7.047   6.787
 1072    H    ILE 143           H        ILE 143  14.033  -5.019   6.676
 1073    HA   ILE 143           HA       ILE 143  11.430  -6.159   6.413
 1074    HB   ILE 143           HB       ILE 143  12.599  -3.765   7.869
 1075   HG12  ILE 143          HG12      ILE 143  11.605  -6.484   8.882
 1076   HG13  ILE 143          HG13      ILE 143  13.288  -6.139   8.519
 1077   HG21  ILE 143          HG21      ILE 143   9.792  -4.917   8.046
 1078   HG22  ILE 143          HG22      ILE 143  10.486  -3.751   9.197
 1079   HG23  ILE 143          HG23      ILE 143  10.255  -3.281   7.513
 1080   HD11  ILE 143          HD13      ILE 143  11.639  -4.966  10.763
 1081   HD12  ILE 143          HD11      ILE 143  13.127  -5.927  10.823
 1082   HD13  ILE 143          HD12      ILE 143  13.202  -4.270  10.231
 1083    H    ILE 144           H        ILE 144  13.024  -3.256   5.100
 1084    HA   ILE 144           HA       ILE 144  10.721  -2.197   3.741
 1085    HB   ILE 144           HB       ILE 144  13.683  -2.127   2.994
 1086   HG12  ILE 144          HG12      ILE 144  13.374  -0.895   4.994
 1087   HG13  ILE 144          HG13      ILE 144  13.519   0.272   3.684
 1088   HG21  ILE 144          HG21      ILE 144  13.153  -0.285   1.455
 1089   HG22  ILE 144          HG22      ILE 144  12.487  -1.822   0.926
 1090   HG23  ILE 144          HG23      ILE 144  11.418  -0.612   1.658
 1091   HD11  ILE 144          HD13      ILE 144  11.735   1.070   5.013
 1092   HD12  ILE 144          HD11      ILE 144  10.923   0.272   3.643
 1093   HD13  ILE 144          HD12      ILE 144  11.055  -0.550   5.216
 1094    H    SER 145           H        SER 145  13.217  -4.501   2.668
 1095    HA   SER 145           HA       SER 145  12.160  -4.777   0.111
 1096    HB2  SER 145           HB2      SER 145  13.828  -6.810   1.667
 1097    HB3  SER 145           HB3      SER 145  13.656  -6.734  -0.094
 1098    HG   SER 145           HG       SER 145  14.866  -4.827   1.642
 1099    H    ARG 146           H        ARG 146  11.269  -6.463   3.095
 1100    HA   ARG 146           HA       ARG 146   9.820  -8.610   2.127
 1101    HB2  ARG 146           HB2      ARG 146  10.483  -7.479   4.570
 1102    HB3  ARG 146           HB3      ARG 146   8.763  -7.102   4.504
 1103    HG2  ARG 146           HG2      ARG 146   8.297  -9.506   4.074
 1104    HG3  ARG 146           HG3      ARG 146  10.046  -9.836   4.135
 1105    HD2  ARG 146           HD2      ARG 146   8.502  -8.540   6.417
 1106    HD3  ARG 146           HD3      ARG 146   8.712 -10.299   6.272
 1107    HE   ARG 146           HE       ARG 146  11.265  -9.031   6.102
 1108   HH11  ARG 146          HH21      ARG 146   8.735  -9.827   8.469
 1109   HH12  ARG 146          HH22      ARG 146   9.844  -9.896   9.811
 1110   HH21  ARG 146          HH11      ARG 146  12.717  -9.151   7.896
 1111   HH22  ARG 146          HH12      ARG 146  12.095  -9.521   9.482
 1112    H    GLY 147           H        GLY 147   8.966  -5.205   2.012
 1113    HA2  GLY 147           HA2      GLY 147   6.067  -5.679   1.907
 1114    HA3  GLY 147           HA3      GLY 147   6.922  -4.130   1.821
  Start of MODEL    3
    1    H    MET   1           H1       MET   1   2.063  -0.858  -1.026
    2    HA   MET   1           HA       MET   1   2.658  -1.313  -3.872
    3    HB2  MET   1           HB2      MET   1   2.504   1.195  -3.090
    4    HB3  MET   1           HB3      MET   1   3.985   0.829  -2.170
    5    HG2  MET   1           HG2      MET   1   4.336   1.899  -4.411
    6    HG3  MET   1           HG3      MET   1   5.233   0.418  -4.139
    7    HE1  MET   1           HE3      MET   1   4.684   0.344  -7.989
    8    HE2  MET   1           HE1      MET   1   5.012   1.751  -6.955
    9    HE3  MET   1           HE2      MET   1   5.857   0.213  -6.661
   10    H    ARG   2           H        ARG   2   4.916  -1.905  -4.264
   11    HA   ARG   2           HA       ARG   2   6.113  -3.467  -2.105
   12    HB2  ARG   2           HB2      ARG   2   7.111  -2.545  -4.855
   13    HB3  ARG   2           HB3      ARG   2   8.145  -3.379  -3.700
   14    HG2  ARG   2           HG2      ARG   2   7.416  -5.005  -5.236
   15    HG3  ARG   2           HG3      ARG   2   6.573  -5.330  -3.717
   16    HD2  ARG   2           HD2      ARG   2   4.511  -4.332  -4.624
   17    HD3  ARG   2           HD3      ARG   2   5.382  -3.797  -6.065
   18    HE   ARG   2           HE       ARG   2   5.298  -5.905  -6.958
   19   HH11  ARG   2          HH11      ARG   2   4.193  -6.122  -3.584
   20   HH12  ARG   2          HH12      ARG   2   3.603  -7.734  -3.738
   21   HH21  ARG   2          HH21      ARG   2   4.514  -8.048  -7.154
   22   HH22  ARG   2          HH22      ARG   2   3.791  -8.848  -5.813
   23    H    LEU   3           H        LEU   3   6.846  -2.366  -0.386
   24    HA   LEU   3           HA       LEU   3   7.189   0.339  -0.079
   25    HB2  LEU   3           HB2      LEU   3   8.434  -2.050   1.293
   26    HB3  LEU   3           HB3      LEU   3   9.070  -0.465   1.674
   27    HG   LEU   3           HG       LEU   3   7.340  -1.331   3.252
   28   HD11  LEU   3          HD11      LEU   3   6.273   0.807   3.578
   29   HD12  LEU   3          HD12      LEU   3   7.960   1.023   3.152
   30   HD13  LEU   3          HD13      LEU   3   6.700   1.332   1.933
   31   HD21  LEU   3          HD23      LEU   3   4.991  -1.192   2.689
   32   HD22  LEU   3          HD21      LEU   3   5.351  -0.731   1.027
   33   HD23  LEU   3          HD22      LEU   3   5.787  -2.349   1.624
   34    H    SER   4           H        SER   4   9.734  -1.964  -1.089
   35    HA   SER   4           HA       SER   4  11.943  -0.437  -1.187
   36    HB2  SER   4           HB2      SER   4  11.335  -2.290  -3.481
   37    HB3  SER   4           HB3      SER   4  12.807  -2.160  -2.502
   38    HG   SER   4           HG       SER   4  11.501  -4.054  -2.125
   39    H    ASP   5           H        ASP   5   9.160   0.027  -3.361
   40    HA   ASP   5           HA       ASP   5  10.513   1.219  -5.556
   41    HB2  ASP   5           HB2      ASP   5   8.160   0.480  -5.600
   42    HB3  ASP   5           HB3      ASP   5   7.733   1.747  -4.443
   43    H    TYR   6           H        TYR   6   9.757   2.426  -2.341
   44    HA   TYR   6           HA       TYR   6  10.226   5.238  -3.136
   45    HB2  TYR   6           HB2      TYR   6   9.225   3.980  -0.567
   46    HB3  TYR   6           HB3      TYR   6   9.374   5.708  -0.844
   47    HD1  TYR   6           HD1      TYR   6   7.311   2.697  -1.609
   48    HD2  TYR   6           HD2      TYR   6   7.812   6.969  -2.113
   49    HE1  TYR   6           HE1      TYR   6   5.006   2.885  -2.431
   50    HE2  TYR   6           HE2      TYR   6   5.526   7.120  -3.056
   51    HH   TYR   6           HH       TYR   6   3.574   5.964  -3.587
   52    H    PHE   7           H        PHE   7  12.130   2.650  -1.742
   53    HA   PHE   7           HA       PHE   7  13.744   4.588  -0.136
   54    HB2  PHE   7           HB2      PHE   7  13.685   1.566   0.008
   55    HB3  PHE   7           HB3      PHE   7  14.749   2.621   0.927
   56    HD1  PHE   7           HD1      PHE   7  11.162   2.011   0.229
   57    HD2  PHE   7           HD2      PHE   7  14.016   3.218   3.224
   58    HE1  PHE   7           HE1      PHE   7   9.322   2.335   1.838
   59    HE2  PHE   7           HE2      PHE   7  12.148   3.725   4.745
   60    HZ   PHE   7           HZ       PHE   7   9.832   3.203   4.122
   61    HA   PRO   8           HA       PRO   8  15.939   4.199  -4.089
   62    HB2  PRO   8           HB2      PRO   8  17.872   6.164  -3.695
   63    HB3  PRO   8           HB3      PRO   8  16.208   6.439  -4.284
   64    HG2  PRO   8           HG2      PRO   8  17.223   6.647  -1.426
   65    HG3  PRO   8           HG3      PRO   8  16.216   7.825  -2.326
   66    HD2  PRO   8           HD2      PRO   8  15.028   6.112  -0.669
   67    HD3  PRO   8           HD3      PRO   8  14.332   6.367  -2.291
   68    H    GLU   9           H        GLU   9  18.045   4.719  -1.240
   69    HA   GLU   9           HA       GLU   9  19.529   2.303  -1.599
   70    HB2  GLU   9           HB2      GLU   9  20.302   3.567  -3.635
   71    HB3  GLU   9           HB3      GLU   9  20.714   4.926  -2.606
   72    HG2  GLU   9           HG2      GLU   9  22.527   3.519  -1.561
   73    HG3  GLU   9           HG3      GLU   9  22.035   2.172  -2.590
   74    H    SER  10           H        SER  10  21.140   5.313  -0.741
   75    HA   SER  10           HA       SER  10  21.825   4.428   1.843
   76    HB2  SER  10           HB2      SER  10  21.728   7.272   0.733
   77    HB3  SER  10           HB3      SER  10  22.768   6.676   2.046
   78    HG   SER  10           HG       SER  10  23.888   6.780   0.060
   79    H    SER  11           H        SER  11  18.799   4.750   1.048
   80    HA   SER  11           HA       SER  11  17.715   6.897   2.655
   81    HB2  SER  11           HB2      SER  11  15.617   5.234   2.165
   82    HB3  SER  11           HB3      SER  11  16.269   6.414   1.020
   83    HG   SER  11           HG       SER  11  16.734   3.612   1.084
   84    H    ILE  12           H        ILE  12  18.732   3.608   3.355
   85    HA   ILE  12           HA       ILE  12  17.277   3.616   5.922
   86    HB   ILE  12           HB       ILE  12  18.662   1.506   4.236
   87   HG12  ILE  12          HG12      ILE  12  16.007   0.731   4.994
   88   HG13  ILE  12          HG13      ILE  12  15.881   2.434   4.549
   89   HG21  ILE  12          HG21      ILE  12  19.171   1.024   6.542
   90   HG22  ILE  12          HG22      ILE  12  17.466   1.238   7.008
   91   HG23  ILE  12          HG23      ILE  12  17.958  -0.110   5.935
   92   HD11  ILE  12          HD13      ILE  12  15.490   1.043   2.638
   93   HD12  ILE  12          HD11      ILE  12  17.002   1.959   2.416
   94   HD13  ILE  12          HD12      ILE  12  17.063   0.235   2.862
   95    H    SER  13           H        SER  13  18.519   3.772   7.837
   96    HA   SER  13           HA       SER  13  21.436   3.539   7.713
   97    HB2  SER  13           HB2      SER  13  20.030   6.178   8.349
   98    HB3  SER  13           HB3      SER  13  21.731   5.845   8.720
   99    HG   SER  13           HG       SER  13  21.016   5.253   6.135
  100    H    VAL  14           H        VAL  14  22.409   3.590   9.824
  101    HA   VAL  14           HA       VAL  14  20.589   3.382  12.145
  102    HB   VAL  14           HB       VAL  14  22.948   1.580  11.514
  103   HG11  VAL  14          HG11      VAL  14  22.827   1.987  13.935
  104   HG12  VAL  14          HG12      VAL  14  21.087   1.619  13.940
  105   HG13  VAL  14          HG13      VAL  14  22.281   0.348  13.596
  106   HG21  VAL  14          HG23      VAL  14  20.969   0.837  10.237
  107   HG22  VAL  14          HG21      VAL  14  21.272  -0.282  11.559
  108   HG23  VAL  14          HG22      VAL  14  19.975   0.919  11.705
  109    H    ILE  15           H        ILE  15  21.505   4.297  13.976
  110    HA   ILE  15           HA       ILE  15  23.957   5.972  13.697
  111    HB   ILE  15           HB       ILE  15  21.079   6.642  14.424
  112   HG12  ILE  15          HG12      ILE  15  21.725   6.676  11.932
  113   HG13  ILE  15          HG13      ILE  15  20.852   8.028  12.612
  114   HG21  ILE  15          HG21      ILE  15  21.797   8.986  14.834
  115   HG22  ILE  15          HG22      ILE  15  22.339   7.807  16.018
  116   HG23  ILE  15          HG23      ILE  15  23.490   8.425  14.814
  117   HD11  ILE  15          HD13      ILE  15  22.713   8.707  11.076
  118   HD12  ILE  15          HD11      ILE  15  22.825   9.432  12.686
  119   HD13  ILE  15          HD12      ILE  15  23.876   8.059  12.257
  120    H    HIS  16           H        HIS  16  25.073   6.019  15.767
  121    HA   HIS  16           HA       HIS  16  24.042   4.256  17.847
  122    HB2  HIS  16           HB2      HIS  16  26.487   4.664  17.472
  123    HB3  HIS  16           HB3      HIS  16  26.275   6.309  18.089
  124    HD1  HIS  16           HD1      HIS  16  25.528   2.681  19.312
  125    HD2  HIS  16           HD2      HIS  16  26.503   6.539  20.716
  126    HE1  HIS  16           HE1      HIS  16  25.864   2.471  21.835
  127    H    SER  17           H        SER  17  24.346   7.809  17.399
  128    HA   SER  17           HA       SER  17  21.981   8.382  18.937
  129    HB2  SER  17           HB2      SER  17  23.396  10.035  20.392
  130    HB3  SER  17           HB3      SER  17  23.266   8.352  20.892
  131    HG   SER  17           HG       SER  17  25.473   9.539  19.561
  132    H    ALA  18           H        ALA  18  21.313  10.528  18.393
  133    HA   ALA  18           HA       ALA  18  22.758  11.767  16.112
  134    HB1  ALA  18           HB3      ALA  18  20.814  13.320  16.097
  135    HB2  ALA  18           HB1      ALA  18  20.345  11.635  15.862
  136    HB3  ALA  18           HB2      ALA  18  20.097  12.420  17.449
  137    H    LYS  19           H        LYS  19  23.418  13.987  16.306
  138    HA   LYS  19           HA       LYS  19  24.787  14.709  18.666
  139    HB2  LYS  19           HB2      LYS  19  25.125  15.448  16.288
  140    HB3  LYS  19           HB3      LYS  19  23.833  16.623  16.544
  141    HG2  LYS  19           HG2      LYS  19  25.060  17.733  18.336
  142    HG3  LYS  19           HG3      LYS  19  26.208  16.386  18.451
  143    HD2  LYS  19           HD2      LYS  19  27.378  18.052  17.292
  144    HD3  LYS  19           HD3      LYS  19  26.899  16.830  16.107
  145    HE2  LYS  19           HE2      LYS  19  24.759  18.509  15.892
  146    HE3  LYS  19           HE3      LYS  19  25.945  19.679  16.480
  147    HZ1  LYS  19           HZ3      LYS  19  27.364  18.927  14.565
  148    HZ2  LYS  19           HZ1      LYS  19  26.075  18.025  14.036
  149    HZ3  LYS  19           HZ2      LYS  19  25.973  19.656  14.108
  150    H    ASP  20           H        ASP  20  21.601  15.643  17.417
  151    HA   ASP  20           HA       ASP  20  20.324  15.923  19.946
  152    HB2  ASP  20           HB2      ASP  20  19.746  18.125  20.006
  153    HB3  ASP  20           HB3      ASP  20  21.481  18.243  19.684
  154    H    TRP  21           H        TRP  21  18.049  16.799  19.410
  155    HA   TRP  21           HA       TRP  21  16.793  15.220  17.553
  156    HB2  TRP  21           HB2      TRP  21  14.991  17.220  18.032
  157    HB3  TRP  21           HB3      TRP  21  15.294  15.831  19.068
  158    HD1  TRP  21           HD1      TRP  21  16.098  19.518  18.787
  159    HE1  TRP  21           HE1      TRP  21  16.888  20.470  21.024
  160    HE3  TRP  21           HE3      TRP  21  16.622  15.144  21.281
  161    HZ2  TRP  21           HZ2      TRP  21  17.791  19.402  23.578
  162    HZ3  TRP  21           HZ3      TRP  21  17.603  15.099  23.572
  163    HH2  TRP  21           HH2      TRP  21  18.171  17.222  24.728
  164    H    GLN  22           H        GLN  22  18.035  18.582  16.996
  165    HA   GLN  22           HA       GLN  22  16.751  18.915  14.417
  166    HB2  GLN  22           HB2      GLN  22  19.339  20.072  15.483
  167    HB3  GLN  22           HB3      GLN  22  18.551  20.547  13.990
  168    HG2  GLN  22           HG2      GLN  22  16.673  21.479  15.105
  169    HG3  GLN  22           HG3      GLN  22  17.068  20.706  16.640
  170   HE21  GLN  22          HE22      GLN  22  19.178  21.296  17.653
  171   HE22  GLN  22          HE21      GLN  22  19.679  22.991  17.569
  172    H    GLU  23           H        GLU  23  20.031  17.722  15.441
  173    HA   GLU  23           HA       GLU  23  20.884  16.927  12.868
  174    HB2  GLU  23           HB2      GLU  23  22.217  17.100  15.083
  175    HB3  GLU  23           HB3      GLU  23  21.557  15.495  15.451
  176    HG2  GLU  23           HG2      GLU  23  23.601  14.937  14.523
  177    HG3  GLU  23           HG3      GLU  23  22.571  14.799  13.131
  178    H    ALA  24           H        ALA  24  18.848  15.255  15.239
  179    HA   ALA  24           HA       ALA  24  18.974  12.671  14.056
  180    HB1  ALA  24           HB3      ALA  24  17.155  12.145  15.520
  181    HB2  ALA  24           HB1      ALA  24  18.200  13.322  16.358
  182    HB3  ALA  24           HB2      ALA  24  16.665  13.849  15.642
  183    H    ILE  25           H        ILE  25  16.824  15.477  13.421
  184    HA   ILE  25           HA       ILE  25  15.249  14.148  11.393
  185    HB   ILE  25           HB       ILE  25  15.987  17.091  11.513
  186   HG12  ILE  25          HG12      ILE  25  14.506  15.689  13.523
  187   HG13  ILE  25          HG13      ILE  25  14.891  17.401  13.388
  188   HG21  ILE  25          HG21      ILE  25  13.926  17.426  10.210
  189   HG22  ILE  25          HG22      ILE  25  15.029  16.354   9.393
  190   HG23  ILE  25          HG23      ILE  25  13.627  15.669  10.220
  191   HD11  ILE  25          HD13      ILE  25  12.814  17.756  12.108
  192   HD12  ILE  25          HD11      ILE  25  12.462  16.005  12.241
  193   HD13  ILE  25          HD12      ILE  25  12.513  17.021  13.695
  194    H    ASP  26           H        ASP  26  18.237  16.133  11.390
  195    HA   ASP  26           HA       ASP  26  18.604  16.284   8.621
  196    HB2  ASP  26           HB2      ASP  26  19.845  17.463  10.595
  197    HB3  ASP  26           HB3      ASP  26  20.949  16.094  10.540
  198    H    PHE  27           H        PHE  27  20.001  13.878  10.903
  199    HA   PHE  27           HA       PHE  27  21.190  12.217   8.923
  200    HB2  PHE  27           HB2      PHE  27  20.357  11.857  11.821
  201    HB3  PHE  27           HB3      PHE  27  20.855  10.472  10.877
  202    HD1  PHE  27           HD1      PHE  27  23.090  11.069   9.323
  203    HD2  PHE  27           HD2      PHE  27  22.179  12.584  13.284
  204    HE1  PHE  27           HE1      PHE  27  25.500  11.377   9.775
  205    HE2  PHE  27           HE2      PHE  27  24.587  12.834  13.718
  206    HZ   PHE  27           HZ       PHE  27  26.258  12.253  11.976
  207    H    SER  28           H        SER  28  17.777  12.494  10.014
  208    HA   SER  28           HA       SER  28  17.113   9.913   8.840
  209    HB2  SER  28           HB2      SER  28  15.300  12.179   9.744
  210    HB3  SER  28           HB3      SER  28  14.798  10.540   9.296
  211    HG   SER  28           HG       SER  28  16.415  11.355  11.482
  212    H    MET  29           H        MET  29  17.616  13.101   7.550
  213    HA   MET  29           HA       MET  29  16.117  12.311   5.082
  214    HB2  MET  29           HB2      MET  29  16.535  15.132   6.044
  215    HB3  MET  29           HB3      MET  29  15.416  14.502   4.820
  216    HG2  MET  29           HG2      MET  29  14.647  13.258   7.235
  217    HG3  MET  29           HG3      MET  29  15.023  14.929   7.640
  218    HE1  MET  29           HE3      MET  29  13.109  12.527   5.461
  219    HE2  MET  29           HE1      MET  29  12.201  12.787   6.988
  220    HE3  MET  29           HE2      MET  29  11.477  13.269   5.432
  221    H    VAL  30           H        VAL  30  19.308  13.260   6.166
  222    HA   VAL  30           HA       VAL  30  20.203  14.760   4.041
  223    HB   VAL  30           HB       VAL  30  21.474  14.341   6.080
  224   HG11  VAL  30          HG11      VAL  30  22.784  12.307   6.445
  225   HG12  VAL  30          HG12      VAL  30  21.067  11.900   6.370
  226   HG13  VAL  30          HG13      VAL  30  22.118  11.569   4.975
  227   HG21  VAL  30          HG23      VAL  30  23.704  14.236   5.134
  228   HG22  VAL  30          HG21      VAL  30  23.083  13.507   3.637
  229   HG23  VAL  30          HG22      VAL  30  22.644  15.174   4.067
  230    H    SER  31           H        SER  31  19.807  11.169   4.019
  231    HA   SER  31           HA       SER  31  21.150  10.819   1.566
  232    HB2  SER  31           HB2      SER  31  18.797   9.195   2.638
  233    HB3  SER  31           HB3      SER  31  20.072   8.644   1.537
  234    HG   SER  31           HG       SER  31  20.558   7.979   3.598
  235    H    LEU  32           H        LEU  32  17.742  11.690   2.304
  236    HA   LEU  32           HA       LEU  32  16.826  11.535  -0.452
  237    HB2  LEU  32           HB2      LEU  32  15.733  12.915   2.042
  238    HB3  LEU  32           HB3      LEU  32  14.911  12.934   0.498
  239    HG   LEU  32           HG       LEU  32  15.567  10.397   2.059
  240   HD11  LEU  32          HD11      LEU  32  12.947  11.931   1.823
  241   HD12  LEU  32          HD12      LEU  32  13.166  10.350   2.612
  242   HD13  LEU  32          HD13      LEU  32  13.960  11.784   3.273
  243   HD21  LEU  32          HD23      LEU  32  15.337   9.943  -0.354
  244   HD22  LEU  32          HD21      LEU  32  13.941   9.333   0.518
  245   HD23  LEU  32          HD22      LEU  32  13.800  10.843  -0.393
  246    H    LEU  33           H        LEU  33  18.189  14.035   1.715
  247    HA   LEU  33           HA       LEU  33  17.808  16.248   0.061
  248    HB2  LEU  33           HB2      LEU  33  18.557  16.261   2.425
  249    HB3  LEU  33           HB3      LEU  33  20.132  15.672   1.930
  250    HG   LEU  33           HG       LEU  33  20.497  17.739   0.591
  251   HD11  LEU  33          HD11      LEU  33  18.152  18.382   0.182
  252   HD12  LEU  33          HD12      LEU  33  17.924  18.668   1.923
  253   HD13  LEU  33          HD13      LEU  33  19.042  19.669   0.965
  254   HD21  LEU  33          HD23      LEU  33  21.044  19.116   2.477
  255   HD22  LEU  33          HD21      LEU  33  19.909  18.229   3.522
  256   HD23  LEU  33          HD22      LEU  33  21.360  17.433   2.884
  257    H    ASP  34           H        ASP  34  20.645  14.048   0.320
  258    HA   ASP  34           HA       ASP  34  22.257  15.283  -1.638
  259    HB2  ASP  34           HB2      ASP  34  23.102  13.720   0.077
  260    HB3  ASP  34           HB3      ASP  34  22.178  12.396  -0.641
  261    H    LYS  35           H        LYS  35  19.758  12.844  -1.927
  262    HA   LYS  35           HA       LYS  35  20.275  12.225  -4.757
  263    HB2  LYS  35           HB2      LYS  35  18.088  11.643  -2.754
  264    HB3  LYS  35           HB3      LYS  35  18.018  11.036  -4.419
  265    HG2  LYS  35           HG2      LYS  35  20.201  10.341  -2.414
  266    HG3  LYS  35           HG3      LYS  35  18.748   9.382  -2.722
  267    HD2  LYS  35           HD2      LYS  35  19.508   9.201  -5.148
  268    HD3  LYS  35           HD3      LYS  35  21.038   9.979  -4.640
  269    HE2  LYS  35           HE2      LYS  35  21.249   8.234  -2.841
  270    HE3  LYS  35           HE3      LYS  35  19.784   7.468  -3.464
  271    HZ1  LYS  35           HZ3      LYS  35  22.285   7.838  -5.043
  272    HZ2  LYS  35           HZ1      LYS  35  21.912   6.436  -4.313
  273    HZ3  LYS  35           HZ2      LYS  35  20.972   7.003  -5.533
  274    H    ASN  36           H        ASN  36  19.100  14.956  -3.284
  275    HA   ASN  36           HA       ASN  36  17.685  16.555  -3.656
  276    HB2  ASN  36           HB2      ASN  36  17.810  15.873  -6.609
  277    HB3  ASN  36           HB3      ASN  36  17.214  17.373  -5.913
  278   HD21  ASN  36          HD22      ASN  36  20.069  15.395  -6.392
  279   HD22  ASN  36          HD21      ASN  36  21.255  16.652  -6.109
  280    H    TYR  37           H        TYR  37  16.426  14.046  -2.905
  281    HA   TYR  37           HA       TYR  37  13.819  13.978  -4.272
  282    HB2  TYR  37           HB2      TYR  37  14.966  12.734  -1.755
  283    HB3  TYR  37           HB3      TYR  37  13.231  12.811  -1.989
  284    HD1  TYR  37           HD1      TYR  37  12.163  11.758  -3.959
  285    HD2  TYR  37           HD2      TYR  37  16.204  10.876  -2.802
  286    HE1  TYR  37           HE1      TYR  37  12.228   9.882  -5.600
  287    HE2  TYR  37           HE2      TYR  37  16.281   9.012  -4.405
  288    HH   TYR  37           HH       TYR  37  15.126   7.820  -6.057
  289    H    ILE  38           H        ILE  38  15.407  15.867  -1.850
  290    HA   ILE  38           HA       ILE  38  13.009  17.580  -1.464
  291    HB   ILE  38           HB       ILE  38  13.505  17.644   0.960
  292   HG12  ILE  38          HG12      ILE  38  15.473  15.380   0.366
  293   HG13  ILE  38          HG13      ILE  38  15.897  17.025   0.858
  294   HG21  ILE  38          HG21      ILE  38  12.541  15.525   1.617
  295   HG22  ILE  38          HG22      ILE  38  11.757  16.098   0.151
  296   HG23  ILE  38          HG23      ILE  38  12.974  14.792   0.071
  297   HD11  ILE  38          HD13      ILE  38  14.488  14.956   2.551
  298   HD12  ILE  38          HD11      ILE  38  16.144  15.568   2.672
  299   HD13  ILE  38          HD12      ILE  38  14.765  16.660   3.006
  300    H    SER  39           H        SER  39  13.656  19.690  -0.384
  301    HA   SER  39           HA       SER  39  16.382  20.590  -1.112
  302    HB2  SER  39           HB2      SER  39  15.442  22.814  -0.748
  303    HB3  SER  39           HB3      SER  39  14.391  21.896  -1.838
  304    HG   SER  39           HG       SER  39  13.171  22.935  -0.266
  305    H    GLU  40           H        GLU  40  17.361  22.149   0.625
  306    HA   GLU  40           HA       GLU  40  17.527  20.858   3.210
  307    HB2  GLU  40           HB2      GLU  40  18.397  23.627   2.268
  308    HB3  GLU  40           HB3      GLU  40  18.774  22.927   3.849
  309    HG2  GLU  40           HG2      GLU  40  19.946  21.036   2.708
  310    HG3  GLU  40           HG3      GLU  40  19.665  21.812   1.153
  311    H    ASN  41           H        ASN  41  15.538  23.484   1.847
  312    HA   ASN  41           HA       ASN  41  14.584  24.577   4.310
  313    HB2  ASN  41           HB2      ASN  41  14.241  25.710   2.132
  314    HB3  ASN  41           HB3      ASN  41  13.191  24.395   1.590
  315   HD21  ASN  41          HD22      ASN  41  10.988  24.194   2.542
  316   HD22  ASN  41          HD21      ASN  41  10.344  25.529   3.457
  317    H    TYR  42           H        TYR  42  13.426  21.850   2.288
  318    HA   TYR  42           HA       TYR  42  11.045  21.258   3.641
  319    HB2  TYR  42           HB2      TYR  42  11.869  20.223   1.534
  320    HB3  TYR  42           HB3      TYR  42  13.109  19.378   2.437
  321    HD1  TYR  42           HD1      TYR  42   9.476  19.627   1.843
  322    HD2  TYR  42           HD2      TYR  42  12.626  17.386   3.738
  323    HE1  TYR  42           HE1      TYR  42   7.967  17.641   2.013
  324    HE2  TYR  42           HE2      TYR  42  11.140  15.421   3.933
  325    HH   TYR  42           HH       TYR  42   9.114  14.478   3.272
  326    H    ILE  43           H        ILE  43  14.368  20.066   4.331
  327    HA   ILE  43           HA       ILE  43  13.767  18.505   6.588
  328    HB   ILE  43           HB       ILE  43  16.332  19.979   5.996
  329   HG12  ILE  43          HG12      ILE  43  15.227  17.240   5.202
  330   HG13  ILE  43          HG13      ILE  43  15.537  18.591   4.101
  331   HG21  ILE  43          HG21      ILE  43  16.011  19.005   8.359
  332   HG22  ILE  43          HG22      ILE  43  15.872  17.417   7.588
  333   HG23  ILE  43          HG23      ILE  43  17.376  18.354   7.447
  334   HD11  ILE  43          HD13      ILE  43  17.245  17.017   3.879
  335   HD12  ILE  43          HD11      ILE  43  17.915  18.495   4.618
  336   HD13  ILE  43          HD12      ILE  43  17.616  17.038   5.612
  337    H    GLN  44           H        GLN  44  14.788  21.986   6.354
  338    HA   GLN  44           HA       GLN  44  14.765  22.271   9.177
  339    HB2  GLN  44           HB2      GLN  44  16.032  23.672   7.389
  340    HB3  GLN  44           HB3      GLN  44  14.557  24.630   7.298
  341    HG2  GLN  44           HG2      GLN  44  16.144  25.649   8.877
  342    HG3  GLN  44           HG3      GLN  44  14.734  25.086   9.760
  343   HE21  GLN  44          HE22      GLN  44  15.342  24.155  11.745
  344   HE22  GLN  44          HE21      GLN  44  16.728  23.123  11.976
  345    H    ALA  45           H        ALA  45  12.140  22.651   6.838
  346    HA   ALA  45           HA       ALA  45  10.289  24.004   8.492
  347    HB1  ALA  45           HB3      ALA  45   9.900  23.408   6.071
  348    HB2  ALA  45           HB1      ALA  45   9.656  21.710   6.565
  349    HB3  ALA  45           HB2      ALA  45   8.551  22.955   7.135
  350    H    ILE  46           H        ILE  46  11.291  20.558   8.410
  351    HA   ILE  46           HA       ILE  46   9.260  19.657  10.249
  352    HB   ILE  46           HB       ILE  46  11.948  18.383   9.605
  353   HG12  ILE  46          HG12      ILE  46   9.341  17.824   8.171
  354   HG13  ILE  46          HG13      ILE  46  10.558  18.887   7.519
  355   HG21  ILE  46          HG21      ILE  46  10.956  16.339  10.337
  356   HG22  ILE  46          HG22      ILE  46  10.581  17.527  11.585
  357   HG23  ILE  46          HG23      ILE  46   9.328  17.058  10.421
  358   HD11  ILE  46          HD13      ILE  46  11.000  15.946   8.083
  359   HD12  ILE  46          HD11      ILE  46  10.846  16.739   6.500
  360   HD13  ILE  46          HD12      ILE  46  12.234  17.100   7.544
  361    H    LYS  47           H        LYS  47  12.793  20.406  10.470
  362    HA   LYS  47           HA       LYS  47  13.041  19.839  13.211
  363    HB2  LYS  47           HB2      LYS  47  14.464  21.854  11.440
  364    HB3  LYS  47           HB3      LYS  47  15.016  21.486  13.075
  365    HG2  LYS  47           HG2      LYS  47  15.690  19.268  12.456
  366    HG3  LYS  47           HG3      LYS  47  14.871  19.369  10.885
  367    HD2  LYS  47           HD2      LYS  47  16.359  21.118  10.152
  368    HD3  LYS  47           HD3      LYS  47  17.160  21.188  11.736
  369    HE2  LYS  47           HE2      LYS  47  18.190  19.042  11.384
  370    HE3  LYS  47           HE3      LYS  47  17.243  18.747   9.929
  371    HZ1  LYS  47           HZ3      LYS  47  18.399  20.742   8.961
  372    HZ2  LYS  47           HZ1      LYS  47  19.352  20.809  10.278
  373    HZ3  LYS  47           HZ2      LYS  47  19.423  19.510   9.281
  374    H    ASP  48           H        ASP  48  12.201  22.958  11.596
  375    HA   ASP  48           HA       ASP  48  12.094  24.544  13.936
  376    HB2  ASP  48           HB2      ASP  48  12.223  25.493  11.693
  377    HB3  ASP  48           HB3      ASP  48  10.649  24.808  11.272
  378    H    SER  49           H        SER  49   9.461  22.760  12.206
  379    HA   SER  49           HA       SER  49   7.369  23.516  14.017
  380    HB2  SER  49           HB2      SER  49   7.628  20.986  12.342
  381    HB3  SER  49           HB3      SER  49   6.135  21.685  12.997
  382    HG   SER  49           HG       SER  49   7.832  22.657  10.945
  383    H    THR  50           H        THR  50   9.754  20.870  14.029
  384    HA   THR  50           HA       THR  50   8.667  19.403  16.179
  385    HB   THR  50           HB       THR  50  11.497  19.592  15.107
  386    HG1  THR  50           HG1      THR  50  10.083  18.851  13.610
  387   HG21  THR  50          HG23      THR  50  11.750  17.322  16.080
  388   HG22  THR  50          HG21      THR  50  11.652  18.602  17.307
  389   HG23  THR  50          HG22      THR  50  10.241  17.571  16.986
  390    H    ILE  51           H        ILE  51  11.150  22.042  16.136
  391    HA   ILE  51           HA       ILE  51  11.491  22.125  18.973
  392    HB   ILE  51           HB       ILE  51  11.922  24.166  16.759
  393   HG12  ILE  51          HG12      ILE  51  13.982  22.615  18.398
  394   HG13  ILE  51          HG13      ILE  51  13.328  21.991  16.894
  395   HG21  ILE  51          HG21      ILE  51  13.297  25.477  18.369
  396   HG22  ILE  51          HG22      ILE  51  11.612  25.439  18.847
  397   HG23  ILE  51          HG23      ILE  51  12.785  24.394  19.679
  398   HD11  ILE  51          HD13      ILE  51  14.938  24.555  17.187
  399   HD12  ILE  51          HD11      ILE  51  15.427  23.042  16.423
  400   HD13  ILE  51          HD12      ILE  51  14.143  24.015  15.685
  401    H    ASN  52           H        ASN  52   9.271  23.907  16.770
  402    HA   ASN  52           HA       ASN  52   8.304  25.672  18.803
  403    HB2  ASN  52           HB2      ASN  52   7.394  24.938  16.004
  404    HB3  ASN  52           HB3      ASN  52   6.320  25.860  17.031
  405   HD21  ASN  52          HD22      ASN  52   9.545  25.938  15.517
  406   HD22  ASN  52          HD21      ASN  52   9.739  27.672  15.615
  407    H    ASN  53           H        ASN  53   7.139  22.508  17.698
  408    HA   ASN  53           HA       ASN  53   4.856  22.673  19.640
  409    HB2  ASN  53           HB2      ASN  53   4.301  23.314  17.276
  410    HB3  ASN  53           HB3      ASN  53   4.781  21.713  16.737
  411   HD21  ASN  53          HD22      ASN  53   2.229  22.989  16.432
  412   HD22  ASN  53          HD21      ASN  53   1.039  22.007  17.259
  413    H    GLY  54           H        GLY  54   6.490  20.414  17.335
  414    HA2  GLY  54           HA2      GLY  54   7.683  18.629  18.945
  415    HA3  GLY  54           HA3      GLY  54   5.995  18.094  19.056
  416    HA   PRO  55           HA       PRO  55   8.332  16.405  15.166
  417    HB2  PRO  55           HB2      PRO  55   7.182  13.955  16.550
  418    HB3  PRO  55           HB3      PRO  55   8.606  14.058  15.460
  419    HG2  PRO  55           HG2      PRO  55   8.992  14.040  18.124
  420    HG3  PRO  55           HG3      PRO  55   9.869  15.229  17.119
  421    HD2  PRO  55           HD2      PRO  55   7.395  15.678  18.810
  422    HD3  PRO  55           HD3      PRO  55   8.845  16.710  18.621
  423    H    TYR  56           H        TYR  56   7.238  16.175  13.286
  424    HA   TYR  56           HA       TYR  56   4.640  16.970  12.992
  425    HB2  TYR  56           HB2      TYR  56   6.694  15.785  11.258
  426    HB3  TYR  56           HB3      TYR  56   5.090  15.321  10.757
  427    HD1  TYR  56           HD2      TYR  56   7.311  18.239  11.356
  428    HD2  TYR  56           HD1      TYR  56   3.568  16.856   9.720
  429    HE1  TYR  56           HE2      TYR  56   7.070  20.369  10.099
  430    HE2  TYR  56           HE1      TYR  56   3.303  18.990   8.494
  431    HH   TYR  56           HH       TYR  56   5.769  21.609   8.672
  432    H    TYR  57           H        TYR  57   5.678  13.565  13.475
  433    HA   TYR  57           HA       TYR  57   2.991  12.829  14.168
  434    HB2  TYR  57           HB2      TYR  57   4.412  11.281  11.969
  435    HB3  TYR  57           HB3      TYR  57   2.902  10.840  12.725
  436    HD1  TYR  57           HD1      TYR  57   0.802  12.130  12.252
  437    HD2  TYR  57           HD2      TYR  57   4.496  12.904  10.168
  438    HE1  TYR  57           HE1      TYR  57  -0.445  13.393  10.522
  439    HE2  TYR  57           HE2      TYR  57   3.271  14.205   8.455
  440    HH   TYR  57           HH       TYR  57   1.183  14.968   7.729
  441    H    ILE  58           H        ILE  58   3.058  10.739  15.200
  442    HA   ILE  58           HA       ILE  58   5.617   9.627  16.083
  443    HB   ILE  58           HB       ILE  58   3.510  10.839  17.894
  444   HG12  ILE  58          HG12      ILE  58   5.229  12.436  17.367
  445   HG13  ILE  58          HG13      ILE  58   5.346  11.951  19.046
  446   HG21  ILE  58          HG21      ILE  58   3.892   8.612  18.796
  447   HG22  ILE  58          HG22      ILE  58   5.644   8.765  18.624
  448   HG23  ILE  58          HG23      ILE  58   4.766   9.751  19.817
  449   HD11  ILE  58          HD13      ILE  58   7.187  11.144  16.769
  450   HD12  ILE  58          HD11      ILE  58   7.590  12.100  18.204
  451   HD13  ILE  58          HD12      ILE  58   7.245  10.377  18.362
  452    H    LEU  59           H        LEU  59   5.283   7.389  16.386
  453    HA   LEU  59           HA       LEU  59   2.715   6.484  15.164
  454    HB2  LEU  59           HB2      LEU  59   5.404   5.079  15.177
  455    HB3  LEU  59           HB3      LEU  59   3.980   4.682  14.230
  456    HG   LEU  59           HG       LEU  59   5.810   7.093  13.930
  457   HD11  LEU  59          HD11      LEU  59   5.562   5.733  11.479
  458   HD12  LEU  59          HD12      LEU  59   6.949   5.784  12.551
  459   HD13  LEU  59          HD13      LEU  59   5.782   4.464  12.697
  460   HD21  LEU  59          HD23      LEU  59   3.692   8.031  13.473
  461   HD22  LEU  59          HD21      LEU  59   4.382   7.664  11.914
  462   HD23  LEU  59          HD22      LEU  59   3.140   6.602  12.596
  463    H    ALA  60           H        ALA  60   5.064   5.777  17.746
  464    HA   ALA  60           HA       ALA  60   3.267   4.136  19.287
  465    HB1  ALA  60           HB3      ALA  60   4.553   2.013  18.975
  466    HB2  ALA  60           HB1      ALA  60   3.862   2.521  17.430
  467    HB3  ALA  60           HB2      ALA  60   5.579   2.798  17.769
  468    HA   PRO  61           HA       PRO  61   6.413   5.186  22.366
  469    HB2  PRO  61           HB2      PRO  61   6.584   2.201  22.895
  470    HB3  PRO  61           HB3      PRO  61   6.545   3.545  24.071
  471    HG2  PRO  61           HG2      PRO  61   4.294   2.144  23.557
  472    HG3  PRO  61           HG3      PRO  61   4.213   3.935  23.642
  473    HD2  PRO  61           HD2      PRO  61   4.340   2.170  21.193
  474    HD3  PRO  61           HD3      PRO  61   3.310   3.602  21.496
  475    H    GLY  62           H        GLY  62   8.303   5.860  21.481
  476    HA2  GLY  62           HA2      GLY  62  10.548   5.632  21.007
  477    HA3  GLY  62           HA3      GLY  62  10.369   3.896  20.806
  478    H    VAL  63           H        VAL  63   7.997   5.523  18.840
  479    HA   VAL  63           HA       VAL  63   9.826   5.348  16.482
  480    HB   VAL  63           HB       VAL  63   7.033   4.176  16.651
  481   HG11  VAL  63          HG11      VAL  63   7.927   4.839  14.369
  482   HG12  VAL  63          HG12      VAL  63   9.210   3.642  14.589
  483   HG13  VAL  63          HG13      VAL  63   7.507   3.140  14.542
  484   HG21  VAL  63          HG23      VAL  63   8.338   2.763  18.104
  485   HG22  VAL  63          HG21      VAL  63   8.181   1.917  16.567
  486   HG23  VAL  63          HG22      VAL  63   9.701   2.741  16.967
  487    H    ALA  64           H        ALA  64   9.566   6.937  15.006
  488    HA   ALA  64           HA       ALA  64   7.169   8.690  15.087
  489    HB1  ALA  64           HB3      ALA  64   9.088   9.740  16.324
  490    HB2  ALA  64           HB1      ALA  64  10.072   9.593  14.847
  491    HB3  ALA  64           HB2      ALA  64   8.641  10.638  14.861
  492    H    MET  65           H        MET  65   7.060  10.054  13.084
  493    HA   MET  65           HA       MET  65   8.660   9.177  10.834
  494    HB2  MET  65           HB2      MET  65   6.826   7.574  10.677
  495    HB3  MET  65           HB3      MET  65   5.662   8.915  10.729
  496    HG2  MET  65           HG2      MET  65   6.567   9.782   8.597
  497    HG3  MET  65           HG3      MET  65   7.756   8.482   8.574
  498    HE1  MET  65           HE3      MET  65   4.038   7.572   9.754
  499    HE2  MET  65           HE1      MET  65   3.892   9.137   8.902
  500    HE3  MET  65           HE2      MET  65   3.227   7.640   8.178
  501    HA   PRO  66           HA       PRO  66   7.760  13.618  11.484
  502    HB2  PRO  66           HB2      PRO  66  10.507  13.877  10.207
  503    HB3  PRO  66           HB3      PRO  66   9.784  14.760  11.597
  504    HG2  PRO  66           HG2      PRO  66  11.537  12.749  11.997
  505    HG3  PRO  66           HG3      PRO  66  10.063  12.870  13.017
  506    HD2  PRO  66           HD2      PRO  66  10.511  11.133  10.570
  507    HD3  PRO  66           HD3      PRO  66   9.852  10.678  12.167
  508    H    HIS  67           H        HIS  67   9.774  13.763   8.611
  509    HA   HIS  67           HA       HIS  67   9.564  14.840   6.735
  510    HB2  HIS  67           HB2      HIS  67   8.616  13.853   5.102
  511    HB3  HIS  67           HB3      HIS  67   8.489  12.537   6.247
  512    HD1  HIS  67           HD1      HIS  67   5.732  13.233   7.587
  513    HD2  HIS  67           HD2      HIS  67   6.626  13.660   3.473
  514    HE1  HIS  67           HE1      HIS  67   3.504  13.030   6.319
  515    H    ALA  68           H        ALA  68   7.802  16.023   5.097
  516    HA   ALA  68           HA       ALA  68   6.245  17.976   6.694
  517    HB1  ALA  68           HB3      ALA  68   8.409  19.055   6.500
  518    HB2  ALA  68           HB1      ALA  68   8.465  18.724   4.759
  519    HB3  ALA  68           HB2      ALA  68   7.252  19.830   5.431
  520    H    ARG  69           H        ARG  69   4.966  19.338   5.079
  521    HA   ARG  69           HA       ARG  69   3.523  17.632   3.263
  522    HB2  ARG  69           HB2      ARG  69   3.649  20.626   3.761
  523    HB3  ARG  69           HB3      ARG  69   2.594  19.945   2.517
  524    HG2  ARG  69           HG2      ARG  69   1.221  18.829   4.042
  525    HG3  ARG  69           HG3      ARG  69   2.417  18.846   5.338
  526    HD2  ARG  69           HD2      ARG  69   1.067  21.358   4.278
  527    HD3  ARG  69           HD3      ARG  69   0.480  20.425   5.652
  528    HE   ARG  69           HE       ARG  69   2.555  20.843   6.834
  529   HH11  ARG  69          HH11      ARG  69   1.912  23.096   4.110
  530   HH12  ARG  69          HH12      ARG  69   2.863  24.356   4.821
  531   HH21  ARG  69          HH21      ARG  69   3.938  22.431   7.599
  532   HH22  ARG  69          HH22      ARG  69   4.034  23.978   6.835
  533    HA   PRO  70           HA       PRO  70   6.003  17.671  -0.439
  534    HB2  PRO  70           HB2      PRO  70   3.443  18.769  -1.699
  535    HB3  PRO  70           HB3      PRO  70   4.570  17.576  -2.381
  536    HG2  PRO  70           HG2      PRO  70   2.316  16.747  -1.155
  537    HG3  PRO  70           HG3      PRO  70   3.856  15.914  -0.769
  538    HD2  PRO  70           HD2      PRO  70   2.383  18.002   0.837
  539    HD3  PRO  70           HD3      PRO  70   3.261  16.545   1.393
  540    H    GLU  71           H        GLU  71   3.808  20.497  -0.075
  541    HA   GLU  71           HA       GLU  71   5.147  22.321  -1.697
  542    HB2  GLU  71           HB2      GLU  71   3.706  23.968  -0.724
  543    HB3  GLU  71           HB3      GLU  71   2.803  22.455  -0.845
  544    HG2  GLU  71           HG2      GLU  71   3.387  22.032   1.604
  545    HG3  GLU  71           HG3      GLU  71   4.038  23.667   1.672
  546    H    CYS  72           H        CYS  72   6.279  21.151   1.345
  547    HA   CYS  72           HA       CYS  72   7.578  23.648   2.172
  548    HB2  CYS  72           HB2      CYS  72   7.790  20.799   3.241
  549    HB3  CYS  72           HB3      CYS  72   8.504  22.240   3.985
  550    HG   CYS  72           HG       CYS  72   6.261  23.556   4.292
  551    H    GLY  73           H        GLY  73   8.253  21.389  -0.252
  552    HA2  GLY  73           HA2      GLY  73  10.275  22.222  -1.485
  553    HA3  GLY  73           HA3      GLY  73  11.196  21.909  -0.015
  554    H    ALA  74           H        ALA  74   8.651  19.590  -0.882
  555    HA   ALA  74           HA       ALA  74  10.655  17.489  -1.375
  556    HB1  ALA  74           HB3      ALA  74   8.424  16.951  -0.418
  557    HB2  ALA  74           HB1      ALA  74   7.677  17.553  -1.925
  558    HB3  ALA  74           HB2      ALA  74   8.733  16.127  -1.964
  559    H    LEU  75           H        LEU  75  11.241  16.723  -3.374
  560    HA   LEU  75           HA       LEU  75  10.584  18.438  -5.744
  561    HB2  LEU  75           HB2      LEU  75  13.190  17.072  -5.021
  562    HB3  LEU  75           HB3      LEU  75  12.911  18.051  -6.454
  563    HG   LEU  75           HG       LEU  75  12.904  19.054  -3.573
  564   HD11  LEU  75          HD11      LEU  75  15.135  18.403  -4.348
  565   HD12  LEU  75          HD12      LEU  75  14.956  19.429  -5.786
  566   HD13  LEU  75          HD13      LEU  75  15.012  20.157  -4.163
  567   HD21  LEU  75          HD23      LEU  75  12.885  21.324  -4.570
  568   HD22  LEU  75          HD21      LEU  75  12.687  20.615  -6.189
  569   HD23  LEU  75          HD22      LEU  75  11.411  20.440  -4.964
  570    H    LYS  76           H        LYS  76  11.212  15.187  -4.477
  571    HA   LYS  76           HA       LYS  76   9.899  13.984  -6.794
  572    HB2  LYS  76           HB2      LYS  76  12.609  13.161  -5.694
  573    HB3  LYS  76           HB3      LYS  76  11.676  12.204  -6.848
  574    HG2  LYS  76           HG2      LYS  76  11.871  14.081  -8.483
  575    HG3  LYS  76           HG3      LYS  76  12.885  14.967  -7.331
  576    HD2  LYS  76           HD2      LYS  76  13.581  12.208  -8.417
  577    HD3  LYS  76           HD3      LYS  76  14.128  13.724  -9.144
  578    HE2  LYS  76           HE2      LYS  76  15.326  14.353  -7.089
  579    HE3  LYS  76           HE3      LYS  76  14.731  12.906  -6.264
  580    HZ1  LYS  76           HZ3      LYS  76  16.975  12.652  -7.079
  581    HZ2  LYS  76           HZ1      LYS  76  15.997  11.566  -7.825
  582    HZ3  LYS  76           HZ2      LYS  76  16.512  12.898  -8.629
  583    H    THR  77           H        THR  77   9.333  11.574  -6.106
  584    HA   THR  77           HA       THR  77   8.571  11.626  -3.308
  585    HB   THR  77           HB       THR  77   7.618  10.124  -5.758
  586    HG1  THR  77           HG1      THR  77   6.127  11.554  -5.876
  587   HG21  THR  77          HG23      THR  77   7.246   8.761  -3.776
  588   HG22  THR  77          HG21      THR  77   6.489  10.140  -2.941
  589   HG23  THR  77          HG22      THR  77   5.721   9.413  -4.384
  590    H    GLY  78           H        GLY  78   9.585  10.337  -1.788
  591    HA2  GLY  78           HA2      GLY  78  10.728   7.746  -2.341
  592    HA3  GLY  78           HA3      GLY  78  11.964   9.003  -2.169
  593    H    MET  79           H        MET  79  12.286   7.273  -0.199
  594    HA   MET  79           HA       MET  79  11.035   8.377   2.256
  595    HB2  MET  79           HB2      MET  79  10.913   5.514   1.226
  596    HB3  MET  79           HB3      MET  79  10.713   5.893   2.933
  597    HG2  MET  79           HG2      MET  79   8.760   7.208   2.550
  598    HG3  MET  79           HG3      MET  79   8.946   7.096   0.800
  599    HE1  MET  79           HE3      MET  79   6.800   6.325   0.222
  600    HE2  MET  79           HE1      MET  79   5.958   4.868   0.782
  601    HE3  MET  79           HE2      MET  79   6.113   6.282   1.854
  602    H    SER  80           H        SER  80  11.969   7.276   4.255
  603    HA   SER  80           HA       SER  80  14.610   6.134   3.949
  604    HB2  SER  80           HB2      SER  80  15.555   7.820   5.642
  605    HB3  SER  80           HB3      SER  80  15.375   8.362   3.972
  606    HG   SER  80           HG       SER  80  14.644   9.765   5.762
  607    H    LEU  81           H        LEU  81  15.446   5.530   6.234
  608    HA   LEU  81           HA       LEU  81  13.360   4.854   8.164
  609    HB2  LEU  81           HB2      LEU  81  13.103   3.118   6.464
  610    HB3  LEU  81           HB3      LEU  81  14.842   2.848   6.379
  611    HG   LEU  81           HG       LEU  81  14.845   1.845   8.552
  612   HD11  LEU  81          HD11      LEU  81  13.081   3.153   9.680
  613   HD12  LEU  81          HD12      LEU  81  11.866   2.260   8.718
  614   HD13  LEU  81          HD13      LEU  81  12.886   1.424   9.892
  615   HD21  LEU  81          HD23      LEU  81  13.708  -0.181   7.866
  616   HD22  LEU  81          HD21      LEU  81  12.478   0.748   7.000
  617   HD23  LEU  81          HD22      LEU  81  14.113   0.677   6.346
  618    H    THR  82           H        THR  82  14.491   5.643   9.921
  619    HA   THR  82           HA       THR  82  17.435   5.163  10.086
  620    HB   THR  82           HB       THR  82  15.718   7.486  11.070
  621    HG1  THR  82           HG1      THR  82  15.879   7.484   8.848
  622   HG21  THR  82          HG23      THR  82  18.742   7.086  11.053
  623   HG22  THR  82          HG21      THR  82  17.910   8.629  11.384
  624   HG23  THR  82          HG22      THR  82  17.668   7.251  12.467
  625    H    LEU  83           H        LEU  83  18.250   4.430  12.084
  626    HA   LEU  83           HA       LEU  83  16.327   4.128  14.313
  627    HB2  LEU  83           HB2      LEU  83  16.617   2.014  12.898
  628    HB3  LEU  83           HB3      LEU  83  18.255   1.918  13.523
  629    HG   LEU  83           HG       LEU  83  15.764   2.063  15.297
  630   HD11  LEU  83          HD11      LEU  83  16.033  -0.417  15.514
  631   HD12  LEU  83          HD12      LEU  83  15.445   0.125  13.951
  632   HD13  LEU  83          HD13      LEU  83  17.154  -0.361  14.145
  633   HD21  LEU  83          HD23      LEU  83  17.604   2.516  16.682
  634   HD22  LEU  83          HD21      LEU  83  17.307   0.817  16.924
  635   HD23  LEU  83          HD22      LEU  83  18.651   1.317  15.871
  636    H    LEU  84           H        LEU  84  17.206   4.740  16.236
  637    HA   LEU  84           HA       LEU  84  20.095   5.508  16.345
  638    HB2  LEU  84           HB2      LEU  84  17.589   6.764  17.478
  639    HB3  LEU  84           HB3      LEU  84  19.118   6.889  18.348
  640    HG   LEU  84           HG       LEU  84  20.198   8.001  16.519
  641   HD11  LEU  84          HD11      LEU  84  18.951   7.136  14.562
  642   HD12  LEU  84          HD12      LEU  84  17.506   7.994  15.109
  643   HD13  LEU  84          HD13      LEU  84  18.955   8.897  14.593
  644   HD21  LEU  84          HD23      LEU  84  18.915  10.126  16.695
  645   HD22  LEU  84          HD21      LEU  84  17.568   9.230  17.415
  646   HD23  LEU  84          HD22      LEU  84  19.143   9.304  18.245
  647    H    GLU  85           H        GLU  85  21.226   4.085  17.644
  648    HA   GLU  85           HA       GLU  85  19.954   2.064  19.150
  649    HB2  GLU  85           HB2      GLU  85  22.802   3.111  19.381
  650    HB3  GLU  85           HB3      GLU  85  22.206   1.614  20.097
  651    HG2  GLU  85           HG2      GLU  85  21.599   0.798  17.799
  652    HG3  GLU  85           HG3      GLU  85  22.391   2.221  17.120
  653    H    GLN  86           H        GLN  86  21.233   5.189  20.178
  654    HA   GLN  86           HA       GLN  86  20.515   4.757  23.003
  655    HB2  GLN  86           HB2      GLN  86  21.565   7.168  21.472
  656    HB3  GLN  86           HB3      GLN  86  21.338   7.151  23.204
  657    HG2  GLN  86           HG2      GLN  86  23.163   5.180  21.755
  658    HG3  GLN  86           HG3      GLN  86  23.715   6.708  22.426
  659   HE21  GLN  86          HE22      GLN  86  25.070   4.651  23.327
  660   HE22  GLN  86          HE21      GLN  86  24.594   4.188  24.952
  661    H    GLY  87           H        GLY  87  18.966   5.929  20.150
  662    HA2  GLY  87           HA2      GLY  87  17.036   7.072  19.734
  663    HA3  GLY  87           HA3      GLY  87  16.601   6.969  21.450
  664    H    VAL  88           H        VAL  88  15.901   9.301  20.446
  665    HA   VAL  88           HA       VAL  88  17.645  11.059  21.969
  666    HB   VAL  88           HB       VAL  88  18.069  11.148  19.277
  667   HG11  VAL  88          HG11      VAL  88  15.753  11.764  18.757
  668   HG12  VAL  88          HG12      VAL  88  15.978  13.300  19.635
  669   HG13  VAL  88          HG13      VAL  88  16.958  12.940  18.207
  670   HG21  VAL  88          HG23      VAL  88  18.237  13.471  21.178
  671   HG22  VAL  88          HG21      VAL  88  19.434  12.184  20.899
  672   HG23  VAL  88          HG22      VAL  88  19.051  13.327  19.600
  673    H    TYR  89           H        TYR  89  16.355  13.160  22.442
  674    HA   TYR  89           HA       TYR  89  13.531  12.309  22.848
  675    HB2  TYR  89           HB2      TYR  89  15.154  12.110  24.806
  676    HB3  TYR  89           HB3      TYR  89  15.118  13.854  24.891
  677    HD1  TYR  89           HD2      TYR  89  11.779  13.232  23.855
  678    HD2  TYR  89           HD1      TYR  89  14.458  12.528  27.211
  679    HE1  TYR  89           HE2      TYR  89   9.865  12.934  25.346
  680    HE2  TYR  89           HE1      TYR  89  12.509  12.264  28.704
  681    HH   TYR  89           HH       TYR  89   9.134  12.314  27.518
  682    H    PHE  90           H        PHE  90  12.853  13.435  21.086
  683    HA   PHE  90           HA       PHE  90  13.174  16.123  20.403
  684    HB2  PHE  90           HB2      PHE  90  10.949  14.095  20.288
  685    HB3  PHE  90           HB3      PHE  90  10.796  15.685  19.516
  686    HD1  PHE  90           HD1      PHE  90  12.758  16.386  17.924
  687    HD2  PHE  90           HD2      PHE  90  11.886  12.307  18.994
  688    HE1  PHE  90           HE1      PHE  90  13.969  15.604  15.905
  689    HE2  PHE  90           HE2      PHE  90  13.115  11.524  16.987
  690    HZ   PHE  90           HZ       PHE  90  14.162  13.180  15.438
  691    HA   PRO  91           HA       PRO  91  10.768  18.195  23.656
  692    HB2  PRO  91           HB2      PRO  91  10.221  20.570  22.410
  693    HB3  PRO  91           HB3      PRO  91  11.838  20.163  23.065
  694    HG2  PRO  91           HG2      PRO  91  10.859  19.898  20.216
  695    HG3  PRO  91           HG3      PRO  91  12.391  20.637  20.790
  696    HD2  PRO  91           HD2      PRO  91  12.237  18.079  19.845
  697    HD3  PRO  91           HD3      PRO  91  13.352  18.517  21.173
  698    H    GLY  92           H        GLY  92   8.513  18.563  24.026
  699    HA2  GLY  92           HA2      GLY  92   6.257  18.718  23.627
  700    HA3  GLY  92           HA3      GLY  92   6.565  18.658  21.885
  701    H    ASN  93           H        ASN  93   7.917  16.297  21.618
  702    HA   ASN  93           HA       ASN  93   6.078  14.176  21.632
  703    HB2  ASN  93           HB2      ASN  93   7.795  13.844  20.152
  704    HB3  ASN  93           HB3      ASN  93   8.976  14.680  21.162
  705   HD21  ASN  93          HD22      ASN  93   7.226  11.564  20.837
  706   HD22  ASN  93          HD21      ASN  93   8.493  10.653  21.679
  707    H    ASP  94           H        ASP  94   5.708  12.467  23.037
  708    HA   ASP  94           HA       ASP  94   5.932  13.182  25.779
  709    HB2  ASP  94           HB2      ASP  94   3.975  12.042  24.824
  710    HB3  ASP  94           HB3      ASP  94   4.954  10.603  24.514
  711    H    GLU  95           H        GLU  95   7.544  10.609  23.913
  712    HA   GLU  95           HA       GLU  95   9.532  10.291  26.059
  713    HB2  GLU  95           HB2      GLU  95   9.042   8.120  26.537
  714    HB3  GLU  95           HB3      GLU  95   7.430   8.715  26.161
  715    HG2  GLU  95           HG2      GLU  95   7.643   7.759  23.854
  716    HG3  GLU  95           HG3      GLU  95   9.225   7.101  24.304
  717    HA   PRO  96           HA       PRO  96  12.328  10.428  22.854
  718    HB2  PRO  96           HB2      PRO  96  14.359   8.644  23.438
  719    HB3  PRO  96           HB3      PRO  96  14.061  10.160  24.335
  720    HG2  PRO  96           HG2      PRO  96  13.143   7.371  25.040
  721    HG3  PRO  96           HG3      PRO  96  13.925   8.582  26.107
  722    HD2  PRO  96           HD2      PRO  96  11.228   8.237  26.080
  723    HD3  PRO  96           HD3      PRO  96  11.935   9.877  26.243
  724    H    ILE  97           H        ILE  97  13.262   9.512  20.968
  725    HA   ILE  97           HA       ILE  97  11.653   7.216  19.940
  726    HB   ILE  97           HB       ILE  97  12.722   9.711  18.562
  727   HG12  ILE  97          HG12      ILE  97  10.832  10.303  19.957
  728   HG13  ILE  97          HG13      ILE  97  10.346  10.341  18.276
  729   HG21  ILE  97          HG21      ILE  97  11.083   7.426  17.389
  730   HG22  ILE  97          HG22      ILE  97  11.467   8.954  16.580
  731   HG23  ILE  97          HG23      ILE  97  12.754   7.833  16.969
  732   HD11  ILE  97          HD13      ILE  97   9.153   8.193  18.542
  733   HD12  ILE  97          HD11      ILE  97   9.697   8.079  20.235
  734   HD13  ILE  97          HD12      ILE  97   8.613   9.364  19.753
  735    H    LYS  98           H        LYS  98  12.640   5.606  18.976
  736    HA   LYS  98           HA       LYS  98  15.592   5.714  18.579
  737    HB2  LYS  98           HB2      LYS  98  13.866   3.259  19.098
  738    HB3  LYS  98           HB3      LYS  98  15.622   3.329  18.931
  739    HG2  LYS  98           HG2      LYS  98  15.569   4.930  20.988
  740    HG3  LYS  98           HG3      LYS  98  13.887   4.429  21.185
  741    HD2  LYS  98           HD2      LYS  98  15.195   3.085  22.646
  742    HD3  LYS  98           HD3      LYS  98  14.700   2.023  21.313
  743    HE2  LYS  98           HE2      LYS  98  16.909   2.289  20.244
  744    HE3  LYS  98           HE3      LYS  98  17.362   3.515  21.425
  745    HZ1  LYS  98           HZ3      LYS  98  17.190   1.755  23.148
  746    HZ2  LYS  98           HZ1      LYS  98  16.996   0.633  21.965
  747    HZ3  LYS  98           HZ2      LYS  98  18.375   1.534  22.052
  748    H    LEU  99           H        LEU  99  12.540   5.596  16.929
  749    HA   LEU  99           HA       LEU  99  14.001   4.805  14.482
  750    HB2  LEU  99           HB2      LEU  99  11.450   3.670  15.644
  751    HB3  LEU  99           HB3      LEU  99  11.477   3.902  13.907
  752    HG   LEU  99           HG       LEU  99  13.505   2.213  15.380
  753   HD11  LEU  99          HD11      LEU  99  11.103   1.322  13.730
  754   HD12  LEU  99          HD12      LEU  99  12.228   0.317  14.690
  755   HD13  LEU  99          HD13      LEU  99  11.102   1.411  15.497
  756   HD21  LEU  99          HD23      LEU  99  13.825   1.271  13.000
  757   HD22  LEU  99          HD21      LEU  99  12.887   2.656  12.416
  758   HD23  LEU  99          HD22      LEU  99  14.421   2.898  13.263
  759    H    LEU 100           H        LEU 100  13.554   5.882  12.699
  760    HA   LEU 100           HA       LEU 100  11.325   7.858  12.729
  761    HB2  LEU 100           HB2      LEU 100  14.082   8.668  11.754
  762    HB3  LEU 100           HB3      LEU 100  12.641   9.633  11.942
  763    HG   LEU 100           HG       LEU 100  12.940   8.858  14.506
  764   HD11  LEU 100          HD11      LEU 100  15.267   8.850  15.200
  765   HD12  LEU 100          HD12      LEU 100  15.023   7.532  14.045
  766   HD13  LEU 100          HD13      LEU 100  15.810   9.031  13.516
  767   HD21  LEU 100          HD23      LEU 100  12.779  11.184  13.822
  768   HD22  LEU 100          HD21      LEU 100  14.128  10.965  14.952
  769   HD23  LEU 100          HD22      LEU 100  14.453  11.156  13.220
  770    H    ILE 101           H        ILE 101  10.095   6.894  11.144
  771    HA   ILE 101           HA       ILE 101  11.389   6.070   8.601
  772    HB   ILE 101           HB       ILE 101   8.442   5.900   9.578
  773   HG12  ILE 101          HG12      ILE 101   8.855   3.537   9.035
  774   HG13  ILE 101          HG13      ILE 101  10.483   3.905   8.437
  775   HG21  ILE 101          HG21      ILE 101   8.460   6.734   7.253
  776   HG22  ILE 101          HG22      ILE 101   9.504   5.376   6.778
  777   HG23  ILE 101          HG23      ILE 101   7.867   5.088   7.434
  778   HD11  ILE 101          HD13      ILE 101   9.708   4.308  11.338
  779   HD12  ILE 101          HD11      ILE 101  10.373   2.794  10.684
  780   HD13  ILE 101          HD12      ILE 101  11.339   4.266  10.594
  781    H    GLY 102           H        GLY 102  11.214   7.285   6.705
  782    HA2  GLY 102           HA2      GLY 102  10.289  10.107   7.021
  783    HA3  GLY 102           HA3      GLY 102  11.893   9.746   6.373
  784    H    LEU 103           H        LEU 103   9.968  11.127   4.907
  785    HA   LEU 103           HA       LEU 103   9.356   9.431   2.615
  786    HB2  LEU 103           HB2      LEU 103   7.493   9.210   4.440
  787    HB3  LEU 103           HB3      LEU 103   7.126  10.879   4.055
  788    HG   LEU 103           HG       LEU 103   6.810   8.390   2.260
  789   HD11  LEU 103          HD11      LEU 103   4.455   9.014   2.514
  790   HD12  LEU 103          HD12      LEU 103   5.153   9.019   4.137
  791   HD13  LEU 103          HD13      LEU 103   4.870  10.542   3.301
  792   HD21  LEU 103          HD23      LEU 103   5.612  10.178   0.751
  793   HD22  LEU 103          HD21      LEU 103   6.618  11.351   1.555
  794   HD23  LEU 103          HD22      LEU 103   7.347   9.968   0.648
  795    H    SER 104           H        SER 104   9.042  10.824   0.810
  796    HA   SER 104           HA       SER 104   8.806  13.714   1.110
  797    HB2  SER 104           HB2      SER 104  10.629  13.987  -0.654
  798    HB3  SER 104           HB3      SER 104  11.172  13.564   0.985
  799    HG   SER 104           HG       SER 104  11.122  11.322   0.203
  800    H    ALA 105           H        ALA 105   7.524  14.482  -0.693
  801    HA   ALA 105           HA       ALA 105   6.773  12.497  -2.735
  802    HB1  ALA 105           HB3      ALA 105   4.865  13.650  -0.662
  803    HB2  ALA 105           HB1      ALA 105   4.362  12.853  -2.164
  804    HB3  ALA 105           HB2      ALA 105   5.249  11.929  -0.932
  805    H    ALA 106           H        ALA 106   6.381  13.522  -4.620
  806    HA   ALA 106           HA       ALA 106   6.897  16.348  -4.684
  807    HB1  ALA 106           HB3      ALA 106   6.083  14.418  -6.914
  808    HB2  ALA 106           HB1      ALA 106   6.728  16.057  -7.146
  809    HB3  ALA 106           HB2      ALA 106   7.751  14.802  -6.423
  810    H    ASP 107           H        ASP 107   4.002  14.374  -4.637
  811    HA   ASP 107           HA       ASP 107   2.326  16.839  -4.820
  812    HB2  ASP 107           HB2      ASP 107   2.275  15.790  -7.047
  813    HB3  ASP 107           HB3      ASP 107   1.810  14.248  -6.329
  814    H    ALA 108           H        ALA 108   0.232  16.609  -3.763
  815    HA   ALA 108           HA       ALA 108   0.417  15.376  -1.252
  816    HB1  ALA 108           HB3      ALA 108  -2.063  16.344  -2.730
  817    HB2  ALA 108           HB1      ALA 108  -1.945  16.020  -0.989
  818    HB3  ALA 108           HB2      ALA 108  -0.996  17.338  -1.705
  819    H    ASP 109           H        ASP 109  -1.008  14.097  -4.272
  820    HA   ASP 109           HA       ASP 109  -2.258  11.840  -2.864
  821    HB2  ASP 109           HB2      ASP 109  -3.286  12.635  -4.867
  822    HB3  ASP 109           HB3      ASP 109  -1.785  12.396  -5.794
  823    H    SER 110           H        SER 110   0.810  12.496  -4.538
  824    HA   SER 110           HA       SER 110   1.819   9.807  -4.455
  825    HB2  SER 110           HB2      SER 110   3.475  12.362  -4.191
  826    HB3  SER 110           HB3      SER 110   3.996  10.787  -4.767
  827    HG   SER 110           HG       SER 110   2.628  11.039  -6.566
  828    H    HIS 111           H        HIS 111   1.821  12.526  -2.113
  829    HA   HIS 111           HA       HIS 111   3.166  11.255   0.031
  830    HB2  HIS 111           HB2      HIS 111   2.888  13.448   0.537
  831    HB3  HIS 111           HB3      HIS 111   1.405  13.575  -0.389
  832    HD1  HIS 111           HD1      HIS 111  -0.843  13.492   0.852
  833    HD2  HIS 111           HD2      HIS 111   2.531  12.602   3.200
  834    HE1  HIS 111           HE1      HIS 111  -1.644  13.474   3.287
  835    H    ILE 112           H        ILE 112  -0.357  11.280  -0.760
  836    HA   ILE 112           HA       ILE 112  -1.164   9.722   1.467
  837    HB   ILE 112           HB       ILE 112  -2.280  10.146  -1.336
  838   HG12  ILE 112          HG12      ILE 112  -2.297  12.083   0.274
  839   HG13  ILE 112          HG13      ILE 112  -3.852  11.628  -0.392
  840   HG21  ILE 112          HG21      ILE 112  -3.550   8.542   0.877
  841   HG22  ILE 112          HG22      ILE 112  -4.436   9.223  -0.520
  842   HG23  ILE 112          HG23      ILE 112  -3.158   8.032  -0.784
  843   HD11  ILE 112          HD13      ILE 112  -2.853  10.865   2.381
  844   HD12  ILE 112          HD11      ILE 112  -3.926  12.232   1.993
  845   HD13  ILE 112          HD12      ILE 112  -4.480  10.570   1.715
  846    H    GLY 113           H        GLY 113  -0.345   8.604  -1.894
  847    HA2  GLY 113           HA2      GLY 113  -0.737   5.852  -1.326
  848    HA3  GLY 113           HA3      GLY 113   0.260   6.517  -2.640
  849    H    ALA 114           H        ALA 114   2.124   7.945  -0.980
  850    HA   ALA 114           HA       ALA 114   4.048   5.914  -0.367
  851    HB1  ALA 114           HB3      ALA 114   5.317   7.915   0.478
  852    HB2  ALA 114           HB1      ALA 114   4.668   8.160  -1.144
  853    HB3  ALA 114           HB2      ALA 114   3.872   8.897   0.254
  854    H    ILE 115           H        ILE 115   2.069   8.110   1.766
  855    HA   ILE 115           HA       ILE 115   2.992   7.173   4.222
  856    HB   ILE 115           HB       ILE 115   0.588   8.450   3.146
  857   HG12  ILE 115          HG12      ILE 115   2.539   9.843   3.680
  858   HG13  ILE 115          HG13      ILE 115   1.110  10.321   4.567
  859   HG21  ILE 115          HG21      ILE 115   0.548   7.377   5.927
  860   HG22  ILE 115          HG22      ILE 115  -0.494   8.717   5.339
  861   HG23  ILE 115          HG23      ILE 115  -0.601   7.136   4.581
  862   HD11  ILE 115          HD13      ILE 115   1.945   9.255   6.616
  863   HD12  ILE 115          HD11      ILE 115   3.383   8.669   5.753
  864   HD13  ILE 115          HD12      ILE 115   3.127  10.405   5.976
  865    H    GLN 116           H        GLN 116   0.315   6.044   2.091
  866    HA   GLN 116           HA       GLN 116  -0.497   3.938   3.838
  867    HB2  GLN 116           HB2      GLN 116  -1.068   4.596   0.933
  868    HB3  GLN 116           HB3      GLN 116  -1.840   3.239   1.766
  869    HG2  GLN 116           HG2      GLN 116  -1.935   6.039   2.931
  870    HG3  GLN 116           HG3      GLN 116  -3.039   5.541   1.660
  871   HE21  GLN 116          HE22      GLN 116  -1.919   4.399   4.999
  872   HE22  GLN 116          HE21      GLN 116  -3.495   3.805   5.415
  873    H    ALA 117           H        ALA 117   2.350   4.049   1.980
  874    HA   ALA 117           HA       ALA 117   2.410   1.135   1.696
  875    HB1  ALA 117           HB3      ALA 117   4.606   1.492   0.615
  876    HB2  ALA 117           HB1      ALA 117   3.380   2.482  -0.197
  877    HB3  ALA 117           HB2      ALA 117   4.507   3.227   0.948
  878    H    LEU 118           H        LEU 118   3.728   3.935   3.457
  879    HA   LEU 118           HA       LEU 118   5.451   2.377   5.104
  880    HB2  LEU 118           HB2      LEU 118   4.197   5.140   5.502
  881    HB3  LEU 118           HB3      LEU 118   5.460   4.446   6.537
  882    HG   LEU 118           HG       LEU 118   5.688   4.808   3.531
  883   HD11  LEU 118          HD11      LEU 118   5.440   6.960   4.685
  884   HD12  LEU 118          HD12      LEU 118   6.807   6.571   5.738
  885   HD13  LEU 118          HD13      LEU 118   7.069   6.772   4.004
  886   HD21  LEU 118          HD23      LEU 118   8.248   4.721   4.466
  887   HD22  LEU 118          HD21      LEU 118   7.494   3.726   5.714
  888   HD23  LEU 118          HD22      LEU 118   7.352   3.259   4.015
  889    H    SER 119           H        SER 119   1.976   3.334   5.427
  890    HA   SER 119           HA       SER 119   1.481   2.314   7.908
  891    HB2  SER 119           HB2      SER 119  -0.261   1.776   5.472
  892    HB3  SER 119           HB3      SER 119  -0.798   1.878   7.154
  893    HG   SER 119           HG       SER 119  -0.171   4.092   7.131
  894    H    GLU 120           H        GLU 120   2.448   0.288   5.160
  895    HA   GLU 120           HA       GLU 120   1.344  -2.147   6.193
  896    HB2  GLU 120           HB2      GLU 120   3.669  -1.722   4.308
  897    HB3  GLU 120           HB3      GLU 120   2.868  -3.258   4.586
  898    HG2  GLU 120           HG2      GLU 120   1.413  -0.805   3.530
  899    HG3  GLU 120           HG3      GLU 120   2.165  -1.997   2.480
  900    H    LEU 121           H        LEU 121   4.119  -0.225   6.904
  901    HA   LEU 121           HA       LEU 121   5.433  -2.402   8.499
  902    HB2  LEU 121           HB2      LEU 121   6.536   0.259   7.480
  903    HB3  LEU 121           HB3      LEU 121   7.436  -0.927   8.414
  904    HG   LEU 121           HG       LEU 121   6.394  -1.169   5.562
  905   HD11  LEU 121          HD11      LEU 121   8.457   0.117   5.848
  906   HD12  LEU 121          HD12      LEU 121   9.196  -1.215   6.763
  907   HD13  LEU 121          HD13      LEU 121   8.812  -1.421   5.044
  908   HD21  LEU 121          HD23      LEU 121   7.803  -3.380   7.111
  909   HD22  LEU 121          HD21      LEU 121   6.107  -3.401   6.573
  910   HD23  LEU 121          HD22      LEU 121   7.410  -3.386   5.388
  911    H    LEU 122           H        LEU 122   5.002   1.147   8.649
  912    HA   LEU 122           HA       LEU 122   5.299   1.640  11.365
  913    HB2  LEU 122           HB2      LEU 122   5.242   3.588  10.627
  914    HB3  LEU 122           HB3      LEU 122   4.936   2.978   9.042
  915    HG   LEU 122           HG       LEU 122   2.458   3.218   9.459
  916   HD11  LEU 122          HD11      LEU 122   2.042   3.412  11.750
  917   HD12  LEU 122          HD12      LEU 122   3.527   4.301  12.038
  918   HD13  LEU 122          HD13      LEU 122   2.099   5.101  11.296
  919   HD21  LEU 122          HD23      LEU 122   4.509   5.456   9.468
  920   HD22  LEU 122          HD21      LEU 122   3.677   4.721   8.096
  921   HD23  LEU 122          HD22      LEU 122   2.738   5.731   9.190
  922    H    CYS 123           H        CYS 123   2.280   0.506   9.796
  923    HA   CYS 123           HA       CYS 123   0.979   0.808  12.441
  924    HB2  CYS 123           HB2      CYS 123  -0.349   0.063   9.804
  925    HB3  CYS 123           HB3      CYS 123  -1.142   0.464  11.319
  926    HG   CYS 123           HG       CYS 123  -1.491   2.434   9.682
  927    H    GLU 124           H        GLU 124   3.010  -1.246  11.887
  928    HA   GLU 124           HA       GLU 124   1.411  -3.569  12.750
  929    HB2  GLU 124           HB2      GLU 124   3.508  -3.605  10.561
  930    HB3  GLU 124           HB3      GLU 124   3.011  -5.050  11.442
  931    HG2  GLU 124           HG2      GLU 124   1.164  -3.235   9.865
  932    HG3  GLU 124           HG3      GLU 124   1.843  -4.756   9.276
  933    H    GLU 125           H        GLU 125   1.902  -3.568  14.756
  934    HA   GLU 125           HA       GLU 125   4.323  -2.702  15.916
  935    HB2  GLU 125           HB2      GLU 125   3.542  -3.697  17.980
  936    HB3  GLU 125           HB3      GLU 125   2.229  -2.865  17.151
  937    HG2  GLU 125           HG2      GLU 125   1.409  -5.083  16.293
  938    HG3  GLU 125           HG3      GLU 125   2.684  -5.883  17.214
  939    H    GLU 126           H        GLU 126   3.490  -5.823  14.537
  940    HA   GLU 126           HA       GLU 126   5.627  -7.334  15.648
  941    HB2  GLU 126           HB2      GLU 126   4.245  -7.705  12.951
  942    HB3  GLU 126           HB3      GLU 126   5.232  -8.904  13.802
  943    HG2  GLU 126           HG2      GLU 126   3.582  -8.751  15.728
  944    HG3  GLU 126           HG3      GLU 126   2.564  -7.746  14.685
  945    H    ILE 127           H        ILE 127   5.321  -5.345  12.712
  946    HA   ILE 127           HA       ILE 127   8.011  -5.814  11.767
  947    HB   ILE 127           HB       ILE 127   5.843  -3.880  11.085
  948   HG12  ILE 127          HG12      ILE 127   5.954  -4.859   8.903
  949   HG13  ILE 127          HG13      ILE 127   7.436  -5.741   9.294
  950   HG21  ILE 127          HG21      ILE 127   7.447  -3.032   9.280
  951   HG22  ILE 127          HG22      ILE 127   7.718  -2.437  10.917
  952   HG23  ILE 127          HG23      ILE 127   8.742  -3.732  10.262
  953   HD11  ILE 127          HD13      ILE 127   4.715  -6.328  10.509
  954   HD12  ILE 127          HD11      ILE 127   5.432  -7.178   9.128
  955   HD13  ILE 127          HD12      ILE 127   6.212  -7.281  10.710
  956    H    LEU 128           H        LEU 128   6.396  -3.237  13.736
  957    HA   LEU 128           HA       LEU 128   8.633  -1.590  13.935
  958    HB2  LEU 128           HB2      LEU 128   6.494  -2.049  16.045
  959    HB3  LEU 128           HB3      LEU 128   7.697  -0.774  16.106
  960    HG   LEU 128           HG       LEU 128   5.499  -1.048  14.018
  961   HD11  LEU 128          HD11      LEU 128   4.781  -0.235  16.235
  962   HD12  LEU 128          HD12      LEU 128   6.019   1.035  16.171
  963   HD13  LEU 128          HD13      LEU 128   4.676   1.034  15.008
  964   HD21  LEU 128          HD23      LEU 128   7.850   0.870  14.166
  965   HD22  LEU 128          HD21      LEU 128   7.316  -0.132  12.796
  966   HD23  LEU 128          HD22      LEU 128   6.348   1.254  13.296
  967    H    GLU 129           H        GLU 129   7.967  -4.489  15.893
  968    HA   GLU 129           HA       GLU 129  10.226  -4.086  17.599
  969    HB2  GLU 129           HB2      GLU 129   8.290  -6.305  17.101
  970    HB3  GLU 129           HB3      GLU 129   9.897  -6.786  17.672
  971    HG2  GLU 129           HG2      GLU 129   9.770  -5.254  19.559
  972    HG3  GLU 129           HG3      GLU 129   8.170  -4.697  19.044
  973    H    GLN 130           H        GLN 130   9.800  -5.688  14.401
  974    HA   GLN 130           HA       GLN 130  12.353  -7.014  14.539
  975    HB2  GLN 130           HB2      GLN 130  10.302  -6.507  12.364
  976    HB3  GLN 130           HB3      GLN 130  11.836  -7.351  12.053
  977    HG2  GLN 130           HG2      GLN 130  11.346  -9.082  13.625
  978    HG3  GLN 130           HG3      GLN 130   9.908  -8.248  14.217
  979   HE21  GLN 130          HE22      GLN 130   8.000  -8.265  12.984
  980   HE22  GLN 130          HE21      GLN 130   7.767  -9.357  11.622
  981    H    LEU 131           H        LEU 131  11.132  -3.902  13.287
  982    HA   LEU 131           HA       LEU 131  13.649  -2.999  12.182
  983    HB2  LEU 131           HB2      LEU 131  11.424  -1.408  13.495
  984    HB3  LEU 131           HB3      LEU 131  12.776  -0.728  12.584
  985    HG   LEU 131           HG       LEU 131  10.599  -2.541  11.409
  986   HD11  LEU 131          HD11      LEU 131   9.754  -0.451  12.410
  987   HD12  LEU 131          HD12      LEU 131  10.855   0.485  11.386
  988   HD13  LEU 131          HD13      LEU 131   9.553  -0.480  10.641
  989   HD21  LEU 131          HD23      LEU 131  11.353  -1.641   9.242
  990   HD22  LEU 131          HD21      LEU 131  12.640  -0.743  10.062
  991   HD23  LEU 131          HD22      LEU 131  12.663  -2.509  10.062
  992    H    LEU 132           H        LEU 132  11.991  -2.344  15.324
  993    HA   LEU 132           HA       LEU 132  14.073  -0.950  16.544
  994    HB2  LEU 132           HB2      LEU 132  11.908  -2.682  17.743
  995    HB3  LEU 132           HB3      LEU 132  13.071  -1.886  18.777
  996    HG   LEU 132           HG       LEU 132  11.336  -0.368  16.816
  997   HD11  LEU 132          HD11      LEU 132   9.965   0.263  18.760
  998   HD12  LEU 132          HD12      LEU 132   9.932  -1.484  18.489
  999   HD13  LEU 132          HD13      LEU 132  10.930  -0.812  19.798
 1000   HD21  LEU 132          HD23      LEU 132  11.940   1.598  18.194
 1001   HD22  LEU 132          HD21      LEU 132  13.014   0.582  19.178
 1002   HD23  LEU 132          HD22      LEU 132  13.372   0.874  17.464
 1003    H    THR 133           H        THR 133  14.220  -4.328  15.849
 1004    HA   THR 133           HA       THR 133  16.431  -4.700  17.793
 1005    HB   THR 133           HB       THR 133  15.893  -7.131  17.563
 1006    HG1  THR 133           HG1      THR 133  13.456  -6.231  16.456
 1007   HG21  THR 133          HG23      THR 133  13.552  -5.434  18.581
 1008   HG22  THR 133          HG21      THR 133  13.900  -7.117  18.997
 1009   HG23  THR 133          HG22      THR 133  15.022  -5.837  19.492
 1010    H    ALA 134           H        ALA 134  16.099  -3.715  14.748
 1011    HA   ALA 134           HA       ALA 134  17.680  -5.406  13.149
 1012    HB1  ALA 134           HB3      ALA 134  17.215  -2.397  13.045
 1013    HB2  ALA 134           HB1      ALA 134  17.953  -3.352  11.761
 1014    HB3  ALA 134           HB2      ALA 134  16.262  -3.661  12.225
 1015    H    SER 135           H        SER 135  19.770  -5.986  13.510
 1016    HA   SER 135           HA       SER 135  21.583  -4.418  15.129
 1017    HB2  SER 135           HB2      SER 135  22.096  -6.782  13.276
 1018    HB3  SER 135           HB3      SER 135  23.167  -6.201  14.562
 1019    HG   SER 135           HG       SER 135  21.582  -6.771  16.081
 1020    H    SER 136           H        SER 136  20.671  -4.232  11.753
 1021    HA   SER 136           HA       SER 136  22.960  -2.487  11.134
 1022    HB2  SER 136           HB2      SER 136  23.520  -3.907   9.164
 1023    HB3  SER 136           HB3      SER 136  23.788  -4.754  10.692
 1024    HG   SER 136           HG       SER 136  22.700  -6.144   9.372
 1025    H    GLU 137           H        GLU 137  22.733  -1.469   9.012
 1026    HA   GLU 137           HA       GLU 137  20.144  -0.580   8.273
 1027    HB2  GLU 137           HB2      GLU 137  22.683  -0.798   6.572
 1028    HB3  GLU 137           HB3      GLU 137  21.238   0.136   6.193
 1029    HG2  GLU 137           HG2      GLU 137  22.641   1.733   6.884
 1030    HG3  GLU 137           HG3      GLU 137  21.614   1.453   8.275
 1031    H    LYS 138           H        LYS 138  22.118  -3.381   7.219
 1032    HA   LYS 138           HA       LYS 138  20.514  -4.153   5.038
 1033    HB2  LYS 138           HB2      LYS 138  22.761  -5.084   5.479
 1034    HB3  LYS 138           HB3      LYS 138  22.163  -5.880   6.934
 1035    HG2  LYS 138           HG2      LYS 138  22.401  -7.472   5.118
 1036    HG3  LYS 138           HG3      LYS 138  20.707  -7.339   5.589
 1037    HD2  LYS 138           HD2      LYS 138  20.246  -5.914   3.617
 1038    HD3  LYS 138           HD3      LYS 138  21.972  -5.945   3.182
 1039    HE2  LYS 138           HE2      LYS 138  21.846  -8.422   2.947
 1040    HE3  LYS 138           HE3      LYS 138  20.131  -8.375   3.369
 1041    HZ1  LYS 138           HZ3      LYS 138  20.454  -8.469   0.981
 1042    HZ2  LYS 138           HZ1      LYS 138  19.743  -7.056   1.366
 1043    HZ3  LYS 138           HZ2      LYS 138  21.331  -7.098   0.979
 1044    H    GLN 139           H        GLN 139  20.225  -5.131   8.506
 1045    HA   GLN 139           HA       GLN 139  17.963  -6.709   8.100
 1046    HB2  GLN 139           HB2      GLN 139  19.664  -6.219  10.164
 1047    HB3  GLN 139           HB3      GLN 139  18.296  -5.231  10.696
 1048    HG2  GLN 139           HG2      GLN 139  16.818  -7.210  10.341
 1049    HG3  GLN 139           HG3      GLN 139  18.262  -8.140   9.870
 1050   HE21  GLN 139          HE22      GLN 139  16.247  -8.355  12.260
 1051   HE22  GLN 139          HE21      GLN 139  17.287  -8.408  13.660
 1052    H    LEU 140           H        LEU 140  18.189  -3.148   8.536
 1053    HA   LEU 140           HA       LEU 140  15.341  -2.773   8.941
 1054    HB2  LEU 140           HB2      LEU 140  17.629  -1.000   8.074
 1055    HB3  LEU 140           HB3      LEU 140  15.979  -0.406   8.049
 1056    HG   LEU 140           HG       LEU 140  17.375  -1.477  10.518
 1057   HD11  LEU 140          HD11      LEU 140  17.640   0.857  11.193
 1058   HD12  LEU 140          HD12      LEU 140  18.444   0.593   9.646
 1059   HD13  LEU 140          HD13      LEU 140  16.876   1.418   9.695
 1060   HD21  LEU 140          HD23      LEU 140  15.600  -0.388  11.786
 1061   HD22  LEU 140          HD21      LEU 140  14.786   0.076  10.284
 1062   HD23  LEU 140          HD22      LEU 140  14.950  -1.642  10.741
 1063    H    ALA 141           H        ALA 141  17.503  -2.403   6.086
 1064    HA   ALA 141           HA       ALA 141  15.494  -2.031   4.163
 1065    HB1  ALA 141           HB3      ALA 141  17.192  -2.478   2.550
 1066    HB2  ALA 141           HB1      ALA 141  17.913  -1.570   3.896
 1067    HB3  ALA 141           HB2      ALA 141  18.195  -3.330   3.764
 1068    H    ASP 142           H        ASP 142  16.685  -5.123   5.545
 1069    HA   ASP 142           HA       ASP 142  15.499  -6.862   3.657
 1070    HB2  ASP 142           HB2      ASP 142  16.913  -7.743   5.425
 1071    HB3  ASP 142           HB3      ASP 142  15.779  -7.200   6.665
 1072    H    ILE 143           H        ILE 143  14.038  -5.226   6.530
 1073    HA   ILE 143           HA       ILE 143  11.458  -6.385   6.194
 1074    HB   ILE 143           HB       ILE 143  12.607  -4.028   7.721
 1075   HG12  ILE 143          HG12      ILE 143  11.553  -6.713   8.732
 1076   HG13  ILE 143          HG13      ILE 143  13.246  -6.444   8.331
 1077   HG21  ILE 143          HG21      ILE 143   9.789  -5.126   7.902
 1078   HG22  ILE 143          HG22      ILE 143  10.536  -3.946   9.011
 1079   HG23  ILE 143          HG23      ILE 143  10.281  -3.511   7.325
 1080   HD11  ILE 143          HD13      ILE 143  13.080  -6.234  10.664
 1081   HD12  ILE 143          HD11      ILE 143  13.346  -4.616  10.034
 1082   HD13  ILE 143          HD12      ILE 143  11.713  -5.108  10.585
 1083    H    ILE 144           H        ILE 144  13.020  -3.421   4.966
 1084    HA   ILE 144           HA       ILE 144  10.753  -2.337   3.595
 1085    HB   ILE 144           HB       ILE 144  13.689  -2.336   2.746
 1086   HG12  ILE 144          HG12      ILE 144  13.463  -1.181   4.840
 1087   HG13  ILE 144          HG13      ILE 144  13.735  -0.019   3.548
 1088   HG21  ILE 144          HG21      ILE 144  12.483  -1.929   0.746
 1089   HG22  ILE 144          HG22      ILE 144  11.414  -0.760   1.535
 1090   HG23  ILE 144          HG23      ILE 144  13.139  -0.396   1.312
 1091   HD11  ILE 144          HD13      ILE 144  11.181  -0.622   5.028
 1092   HD12  ILE 144          HD11      ILE 144  12.049   0.920   4.854
 1093   HD13  ILE 144          HD12      ILE 144  11.171   0.240   3.472
 1094    H    SER 145           H        SER 145  13.202  -4.673   2.502
 1095    HA   SER 145           HA       SER 145  12.118  -4.915  -0.058
 1096    HB2  SER 145           HB2      SER 145  13.799  -6.967   1.465
 1097    HB3  SER 145           HB3      SER 145  13.615  -6.864  -0.293
 1098    HG   SER 145           HG       SER 145  14.842  -4.982   1.463
 1099    H    ARG 146           H        ARG 146  11.419  -6.758   2.950
 1100    HA   ARG 146           HA       ARG 146   9.884  -8.801   1.994
 1101    HB2  ARG 146           HB2      ARG 146  10.820  -7.970   4.369
 1102    HB3  ARG 146           HB3      ARG 146   9.209  -7.257   4.530
 1103    HG2  ARG 146           HG2      ARG 146   8.247  -9.473   3.998
 1104    HG3  ARG 146           HG3      ARG 146   9.913 -10.120   3.892
 1105    HD2  ARG 146           HD2      ARG 146   8.666  -8.819   6.349
 1106    HD3  ARG 146           HD3      ARG 146   8.817 -10.575   6.115
 1107    HE   ARG 146           HE       ARG 146  11.396  -9.442   5.830
 1108   HH11  ARG 146          HH11      ARG 146   8.976  -9.964   8.362
 1109   HH12  ARG 146          HH12      ARG 146  10.115  -9.934   9.666
 1110   HH21  ARG 146          HH21      ARG 146  12.921  -9.397   7.518
 1111   HH22  ARG 146          HH22      ARG 146  12.418  -9.647   9.168
 1112    H    GLY 147           H        GLY 147   8.911  -5.497   2.821
 1113    HA2  GLY 147           HA2      GLY 147   6.937  -4.359   2.679
 1114    HA3  GLY 147           HA3      GLY 147   6.646  -5.253   1.165
  Start of MODEL    4
    1    H    MET   1           H1       MET   1   2.157  -1.093  -0.883
    2    HA   MET   1           HA       MET   1   2.615  -1.402  -3.780
    3    HB2  MET   1           HB2      MET   1   2.410   1.054  -2.918
    4    HB3  MET   1           HB3      MET   1   3.921   0.715  -2.035
    5    HG2  MET   1           HG2      MET   1   4.120   1.889  -4.281
    6    HG3  MET   1           HG3      MET   1   5.179   0.525  -3.984
    7    HE1  MET   1           HE3      MET   1   4.735   0.331  -7.830
    8    HE2  MET   1           HE1      MET   1   4.883   1.782  -6.813
    9    HE3  MET   1           HE2      MET   1   5.879   0.348  -6.469
   10    H    ARG   2           H        ARG   2   4.905  -1.769  -4.316
   11    HA   ARG   2           HA       ARG   2   6.252  -3.480  -2.388
   12    HB2  ARG   2           HB2      ARG   2   7.100  -2.225  -5.048
   13    HB3  ARG   2           HB3      ARG   2   8.221  -3.109  -4.016
   14    HG2  ARG   2           HG2      ARG   2   7.552  -4.647  -5.641
   15    HG3  ARG   2           HG3      ARG   2   6.708  -5.124  -4.162
   16    HD2  ARG   2           HD2      ARG   2   4.631  -4.106  -5.000
   17    HD3  ARG   2           HD3      ARG   2   5.495  -3.483  -6.426
   18    HE   ARG   2           HE       ARG   2   5.802  -6.324  -6.209
   19   HH11  ARG   2          HH11      ARG   2   3.377  -3.899  -7.140
   20   HH12  ARG   2          HH12      ARG   2   2.519  -4.958  -8.195
   21   HH21  ARG   2          HH21      ARG   2   4.662  -7.731  -7.621
   22   HH22  ARG   2          HH22      ARG   2   3.270  -7.183  -8.473
   23    H    LEU   3           H        LEU   3   7.011  -2.580  -0.578
   24    HA   LEU   3           HA       LEU   3   7.201   0.168  -0.059
   25    HB2  LEU   3           HB2      LEU   3   8.328  -2.310   1.217
   26    HB3  LEU   3           HB3      LEU   3   9.040  -0.782   1.697
   27    HG   LEU   3           HG       LEU   3   7.229  -1.634   3.184
   28   HD11  LEU   3          HD11      LEU   3   7.964   0.711   3.199
   29   HD12  LEU   3          HD12      LEU   3   6.748   1.121   1.967
   30   HD13  LEU   3          HD13      LEU   3   6.254   0.547   3.572
   31   HD21  LEU   3          HD23      LEU   3   4.897  -1.348   2.603
   32   HD22  LEU   3          HD21      LEU   3   5.309  -0.768   0.984
   33   HD23  LEU   3          HD22      LEU   3   5.642  -2.442   1.432
   34    H    SER   4           H        SER   4   9.734  -2.037  -1.267
   35    HA   SER   4           HA       SER   4  11.969  -0.402  -1.051
   36    HB2  SER   4           HB2      SER   4  12.662  -1.885  -3.114
   37    HB3  SER   4           HB3      SER   4  12.389  -2.614  -1.526
   38    HG   SER   4           HG       SER   4  11.337  -3.750  -3.231
   39    H    ASP   5           H        ASP   5   9.243   0.049  -3.269
   40    HA   ASP   5           HA       ASP   5  10.605   1.472  -5.319
   41    HB2  ASP   5           HB2      ASP   5   8.270   0.657  -5.480
   42    HB3  ASP   5           HB3      ASP   5   7.781   1.835  -4.255
   43    H    TYR   6           H        TYR   6   9.786   2.350  -2.018
   44    HA   TYR   6           HA       TYR   6  10.163   5.231  -2.559
   45    HB2  TYR   6           HB2      TYR   6   9.107   3.764  -0.115
   46    HB3  TYR   6           HB3      TYR   6   9.253   5.506  -0.269
   47    HD1  TYR   6           HD2      TYR   6   7.835   6.833  -1.713
   48    HD2  TYR   6           HD1      TYR   6   7.220   2.569  -1.270
   49    HE1  TYR   6           HE2      TYR   6   5.641   7.019  -2.860
   50    HE2  TYR   6           HE1      TYR   6   5.006   2.789  -2.301
   51    HH   TYR   6           HH       TYR   6   3.456   4.217  -3.324
   52    H    PHE   7           H        PHE   7  12.224   2.650  -1.507
   53    HA   PHE   7           HA       PHE   7  13.810   4.554   0.189
   54    HB2  PHE   7           HB2      PHE   7  13.710   1.544   0.421
   55    HB3  PHE   7           HB3      PHE   7  14.737   2.634   1.342
   56    HD1  PHE   7           HD2      PHE   7  11.159   1.930   0.594
   57    HD2  PHE   7           HD1      PHE   7  13.957   3.308   3.567
   58    HE1  PHE   7           HE2      PHE   7   9.295   2.294   2.163
   59    HE2  PHE   7           HE1      PHE   7  12.063   3.745   5.098
   60    HZ   PHE   7           HZ       PHE   7   9.747   3.227   4.430
   61    HA   PRO   8           HA       PRO   8  15.725   3.952  -3.910
   62    HB2  PRO   8           HB2      PRO   8  17.439   6.197  -3.810
   63    HB3  PRO   8           HB3      PRO   8  15.782   6.120  -4.479
   64    HG2  PRO   8           HG2      PRO   8  16.669   6.986  -1.722
   65    HG3  PRO   8           HG3      PRO   8  15.441   7.745  -2.774
   66    HD2  PRO   8           HD2      PRO   8  14.659   6.176  -0.777
   67    HD3  PRO   8           HD3      PRO   8  13.875   6.021  -2.375
   68    H    GLU   9           H        GLU   9  17.902   4.878  -1.208
   69    HA   GLU   9           HA       GLU   9  19.712   2.705  -1.865
   70    HB2  GLU   9           HB2      GLU   9  20.176   4.362  -3.710
   71    HB3  GLU   9           HB3      GLU   9  20.520   5.583  -2.499
   72    HG2  GLU   9           HG2      GLU   9  22.496   4.196  -1.742
   73    HG3  GLU   9           HG3      GLU   9  22.099   3.017  -2.991
   74    H    SER  10           H        SER  10  21.055   5.686  -0.596
   75    HA   SER  10           HA       SER  10  21.877   4.449   1.801
   76    HB2  SER  10           HB2      SER  10  21.573   7.442   1.386
   77    HB3  SER  10           HB3      SER  10  22.856   6.584   2.253
   78    HG   SER  10           HG       SER  10  23.688   5.912   0.283
   79    H    SER  11           H        SER  11  18.866   4.584   1.180
   80    HA   SER  11           HA       SER  11  17.590   6.565   2.782
   81    HB2  SER  11           HB2      SER  11  16.572   3.864   1.834
   82    HB3  SER  11           HB3      SER  11  15.595   5.306   2.178
   83    HG   SER  11           HG       SER  11  16.603   6.342   0.456
   84    H    ILE  12           H        ILE  12  18.942   3.403   3.563
   85    HA   ILE  12           HA       ILE  12  17.492   3.322   6.137
   86    HB   ILE  12           HB       ILE  12  18.832   1.272   4.352
   87   HG12  ILE  12          HG12      ILE  12  16.157   0.522   5.129
   88   HG13  ILE  12          HG13      ILE  12  16.081   2.219   4.634
   89   HG21  ILE  12          HG21      ILE  12  19.367   0.690   6.626
   90   HG22  ILE  12          HG22      ILE  12  17.681   0.928   7.139
   91   HG23  ILE  12          HG23      ILE  12  18.122  -0.405   6.025
   92   HD11  ILE  12          HD13      ILE  12  17.200   1.693   2.548
   93   HD12  ILE  12          HD11      ILE  12  17.260  -0.027   3.015
   94   HD13  ILE  12          HD12      ILE  12  15.679   0.778   2.765
   95    H    SER  13           H        SER  13  18.751   3.729   7.962
   96    HA   SER  13           HA       SER  13  21.658   3.305   7.765
   97    HB2  SER  13           HB2      SER  13  20.408   5.924   8.739
   98    HB3  SER  13           HB3      SER  13  22.133   5.529   8.738
   99    HG   SER  13           HG       SER  13  21.508   6.835   6.953
  100    H    VAL  14           H        VAL  14  22.601   2.741   9.665
  101    HA   VAL  14           HA       VAL  14  20.936   2.744  12.140
  102    HB   VAL  14           HB       VAL  14  23.070   0.764  11.254
  103   HG11  VAL  14          HG11      VAL  14  21.569   0.961  13.915
  104   HG12  VAL  14          HG12      VAL  14  22.603  -0.397  13.415
  105   HG13  VAL  14          HG13      VAL  14  23.315   1.196  13.676
  106   HG21  VAL  14          HG23      VAL  14  21.226  -0.894  11.514
  107   HG22  VAL  14          HG21      VAL  14  20.101   0.423  11.886
  108   HG23  VAL  14          HG22      VAL  14  20.843   0.305  10.277
  109    H    ILE  15           H        ILE  15  21.863   3.859  13.814
  110    HA   ILE  15           HA       ILE  15  24.505   5.176  13.339
  111    HB   ILE  15           HB       ILE  15  21.809   6.383  14.048
  112   HG12  ILE  15          HG12      ILE  15  23.483   6.681  11.530
  113   HG13  ILE  15          HG13      ILE  15  21.851   6.011  11.677
  114   HG21  ILE  15          HG21      ILE  15  24.453   7.857  13.734
  115   HG22  ILE  15          HG22      ILE  15  22.871   8.560  14.174
  116   HG23  ILE  15          HG23      ILE  15  23.635   7.481  15.267
  117   HD11  ILE  15          HD13      ILE  15  21.600   8.219  10.793
  118   HD12  ILE  15          HD11      ILE  15  21.097   8.305  12.504
  119   HD13  ILE  15          HD12      ILE  15  22.686   8.909  12.019
  120    H    HIS  16           H        HIS  16  25.636   5.637  15.231
  121    HA   HIS  16           HA       HIS  16  25.168   4.159  17.599
  122    HB2  HIS  16           HB2      HIS  16  27.371   4.921  16.963
  123    HB3  HIS  16           HB3      HIS  16  26.855   6.604  16.931
  124    HD1  HIS  16           HD1      HIS  16  26.680   7.881  19.299
  125    HD2  HIS  16           HD2      HIS  16  28.003   3.879  19.396
  126    HE1  HIS  16           HE1      HIS  16  27.813   7.558  21.554
  127    H    SER  17           H        SER  17  24.352   7.630  16.833
  128    HA   SER  17           HA       SER  17  22.283   7.733  18.814
  129    HB2  SER  17           HB2      SER  17  23.408   9.552  20.168
  130    HB3  SER  17           HB3      SER  17  24.080   7.941  20.438
  131    HG   SER  17           HG       SER  17  25.573   9.798  20.092
  132    H    ALA  18           H        ALA  18  21.133   9.832  18.566
  133    HA   ALA  18           HA       ALA  18  21.927  11.288  16.083
  134    HB1  ALA  18           HB3      ALA  18  19.892  12.631  16.434
  135    HB2  ALA  18           HB1      ALA  18  19.527  10.912  16.260
  136    HB3  ALA  18           HB2      ALA  18  19.487  11.664  17.859
  137    H    LYS  19           H        LYS  19  22.708  13.410  16.183
  138    HA   LYS  19           HA       LYS  19  24.247  13.991  18.525
  139    HB2  LYS  19           HB2      LYS  19  24.586  14.523  15.925
  140    HB3  LYS  19           HB3      LYS  19  23.722  15.992  16.310
  141    HG2  LYS  19           HG2      LYS  19  26.076  16.445  16.399
  142    HG3  LYS  19           HG3      LYS  19  25.423  16.581  18.027
  143    HD2  LYS  19           HD2      LYS  19  27.640  15.459  17.930
  144    HD3  LYS  19           HD3      LYS  19  26.403  14.435  18.662
  145    HE2  LYS  19           HE2      LYS  19  26.111  13.223  16.520
  146    HE3  LYS  19           HE3      LYS  19  27.287  14.284  15.743
  147    HZ1  LYS  19           HZ3      LYS  19  27.894  12.421  17.972
  148    HZ2  LYS  19           HZ1      LYS  19  28.296  12.193  16.409
  149    HZ3  LYS  19           HZ2      LYS  19  28.981  13.405  17.250
  150    H    ASP  20           H        ASP  20  21.103  15.070  17.425
  151    HA   ASP  20           HA       ASP  20  20.394  16.513  19.823
  152    HB2  ASP  20           HB2      ASP  20  21.754  18.225  18.341
  153    HB3  ASP  20           HB3      ASP  20  20.381  18.042  17.224
  154    H    TRP  21           H        TRP  21  18.124  17.448  19.285
  155    HA   TRP  21           HA       TRP  21  16.535  15.449  17.901
  156    HB2  TRP  21           HB2      TRP  21  14.769  17.331  18.362
  157    HB3  TRP  21           HB3      TRP  21  15.340  16.263  19.618
  158    HD1  TRP  21           HD1      TRP  21  16.069  19.746  18.305
  159    HE1  TRP  21           HE1      TRP  21  16.485  21.383  20.228
  160    HE3  TRP  21           HE3      TRP  21  16.153  16.403  22.149
  161    HZ2  TRP  21           HZ2      TRP  21  16.696  21.249  23.117
  162    HZ3  TRP  21           HZ3      TRP  21  16.460  17.169  24.476
  163    HH2  TRP  21           HH2      TRP  21  16.723  19.590  24.980
  164    H    GLN  22           H        GLN  22  17.901  18.686  17.153
  165    HA   GLN  22           HA       GLN  22  16.675  19.052  14.563
  166    HB2  GLN  22           HB2      GLN  22  19.378  19.855  15.694
  167    HB3  GLN  22           HB3      GLN  22  18.789  20.344  14.104
  168    HG2  GLN  22           HG2      GLN  22  16.976  21.603  15.006
  169    HG3  GLN  22           HG3      GLN  22  17.151  20.892  16.608
  170   HE21  GLN  22          HE22      GLN  22  19.179  21.319  17.810
  171   HE22  GLN  22          HE21      GLN  22  19.932  22.906  17.633
  172    H    GLU  23           H        GLU  23  19.697  17.326  15.631
  173    HA   GLU  23           HA       GLU  23  20.421  16.503  13.013
  174    HB2  GLU  23           HB2      GLU  23  21.831  16.483  15.239
  175    HB3  GLU  23           HB3      GLU  23  21.063  14.906  15.497
  176    HG2  GLU  23           HG2      GLU  23  22.994  14.265  14.405
  177    HG3  GLU  23           HG3      GLU  23  21.916  14.371  13.050
  178    H    ALA  24           H        ALA  24  18.343  15.019  15.475
  179    HA   ALA  24           HA       ALA  24  18.181  12.460  14.275
  180    HB1  ALA  24           HB3      ALA  24  17.546  13.121  16.627
  181    HB2  ALA  24           HB1      ALA  24  16.090  13.896  15.982
  182    HB3  ALA  24           HB2      ALA  24  16.308  12.138  15.804
  183    H    ILE  25           H        ILE  25  16.316  15.465  13.675
  184    HA   ILE  25           HA       ILE  25  14.616  14.321  11.623
  185    HB   ILE  25           HB       ILE  25  15.612  17.180  11.823
  186   HG12  ILE  25          HG12      ILE  25  14.094  15.924  13.856
  187   HG13  ILE  25          HG13      ILE  25  14.498  17.618  13.658
  188   HG21  ILE  25          HG21      ILE  25  13.146  16.003  10.489
  189   HG22  ILE  25          HG22      ILE  25  13.581  17.728  10.556
  190   HG23  ILE  25          HG23      ILE  25  14.598  16.623   9.683
  191   HD11  ILE  25          HD13      ILE  25  12.020  16.238  12.598
  192   HD12  ILE  25          HD11      ILE  25  12.124  17.281  14.030
  193   HD13  ILE  25          HD12      ILE  25  12.402  17.978  12.425
  194    H    ASP  26           H        ASP  26  17.769  16.038  11.673
  195    HA   ASP  26           HA       ASP  26  18.128  16.306   8.922
  196    HB2  ASP  26           HB2      ASP  26  19.509  17.217  10.940
  197    HB3  ASP  26           HB3      ASP  26  20.460  15.740  10.776
  198    H    PHE  27           H        PHE  27  19.131  13.579  11.037
  199    HA   PHE  27           HA       PHE  27  20.144  11.968   8.900
  200    HB2  PHE  27           HB2      PHE  27  19.329  11.435  11.774
  201    HB3  PHE  27           HB3      PHE  27  19.764  10.124  10.690
  202    HD1  PHE  27           HD1      PHE  27  21.997  10.750   9.178
  203    HD2  PHE  27           HD2      PHE  27  21.199  12.029  13.245
  204    HE1  PHE  27           HE1      PHE  27  24.422  10.945   9.606
  205    HE2  PHE  27           HE2      PHE  27  23.624  12.126  13.663
  206    HZ   PHE  27           HZ       PHE  27  25.245  11.618  11.855
  207    H    SER  28           H        SER  28  16.830  12.417  10.214
  208    HA   SER  28           HA       SER  28  15.669  10.149   8.884
  209    HB2  SER  28           HB2      SER  28  14.306  12.813   9.545
  210    HB3  SER  28           HB3      SER  28  13.527  11.293   9.192
  211    HG   SER  28           HG       SER  28  15.263  11.816  11.413
  212    H    MET  29           H        MET  29  16.833  13.237   7.693
  213    HA   MET  29           HA       MET  29  15.319  12.817   5.146
  214    HB2  MET  29           HB2      MET  29  16.430  15.343   6.346
  215    HB3  MET  29           HB3      MET  29  15.340  15.175   4.949
  216    HG2  MET  29           HG2      MET  29  14.347  14.276   7.634
  217    HG3  MET  29           HG3      MET  29  14.504  15.987   7.293
  218    HE1  MET  29           HE3      MET  29  12.437  12.927   6.965
  219    HE2  MET  29           HE1      MET  29  11.474  13.137   5.481
  220    HE3  MET  29           HE2      MET  29  13.231  12.795   5.365
  221    H    VAL  30           H        VAL  30  18.679  13.302   6.314
  222    HA   VAL  30           HA       VAL  30  19.651  14.521   4.040
  223    HB   VAL  30           HB       VAL  30  20.899  14.296   6.128
  224   HG11  VAL  30          HG11      VAL  30  21.563  11.442   5.271
  225   HG12  VAL  30          HG12      VAL  30  22.182  12.306   6.693
  226   HG13  VAL  30          HG13      VAL  30  20.468  11.871   6.601
  227   HG21  VAL  30          HG23      VAL  30  22.454  13.240   3.723
  228   HG22  VAL  30          HG21      VAL  30  22.028  14.932   4.008
  229   HG23  VAL  30          HG22      VAL  30  23.120  14.098   5.132
  230    H    SER  31           H        SER  31  19.125  10.962   4.414
  231    HA   SER  31           HA       SER  31  20.524  10.232   2.096
  232    HB2  SER  31           HB2      SER  31  17.972   8.963   3.190
  233    HB3  SER  31           HB3      SER  31  19.243   8.181   2.230
  234    HG   SER  31           HG       SER  31  19.968   7.694   4.132
  235    H    LEU  32           H        LEU  32  17.357  11.734   2.441
  236    HA   LEU  32           HA       LEU  32  16.607  11.304  -0.375
  237    HB2  LEU  32           HB2      LEU  32  15.363  12.776   1.996
  238    HB3  LEU  32           HB3      LEU  32  14.678  12.881   0.399
  239    HG   LEU  32           HG       LEU  32  15.136  10.232   1.831
  240   HD11  LEU  32          HD11      LEU  32  12.730  10.270   2.356
  241   HD12  LEU  32          HD12      LEU  32  13.581  11.608   3.133
  242   HD13  LEU  32          HD13      LEU  32  12.599  11.906   1.684
  243   HD21  LEU  32          HD23      LEU  32  13.638   9.291   0.199
  244   HD22  LEU  32          HD21      LEU  32  13.312  10.881  -0.524
  245   HD23  LEU  32          HD22      LEU  32  14.905  10.106  -0.681
  246    H    LEU  33           H        LEU  33  17.826  13.895   1.790
  247    HA   LEU  33           HA       LEU  33  17.805  16.015  -0.016
  248    HB2  LEU  33           HB2      LEU  33  18.394  16.042   2.453
  249    HB3  LEU  33           HB3      LEU  33  19.976  15.416   2.016
  250    HG   LEU  33           HG       LEU  33  20.363  17.468   0.617
  251   HD11  LEU  33          HD11      LEU  33  17.811  18.471   1.941
  252   HD12  LEU  33          HD12      LEU  33  18.956  19.439   0.987
  253   HD13  LEU  33          HD13      LEU  33  18.046  18.169   0.203
  254   HD21  LEU  33          HD23      LEU  33  20.940  18.861   2.484
  255   HD22  LEU  33          HD21      LEU  33  19.823  17.976   3.550
  256   HD23  LEU  33          HD22      LEU  33  21.260  17.179   2.885
  257    H    ASP  34           H        ASP  34  20.219  13.450   0.493
  258    HA   ASP  34           HA       ASP  34  22.266  14.478  -1.110
  259    HB2  ASP  34           HB2      ASP  34  22.592  12.762   0.622
  260    HB3  ASP  34           HB3      ASP  34  21.605  11.613  -0.278
  261    H    LYS  35           H        LYS  35  19.460  12.595  -2.103
  262    HA   LYS  35           HA       LYS  35  20.562  12.555  -4.890
  263    HB2  LYS  35           HB2      LYS  35  17.964  11.306  -4.376
  264    HB3  LYS  35           HB3      LYS  35  19.253  10.786  -5.431
  265    HG2  LYS  35           HG2      LYS  35  19.034  10.382  -2.430
  266    HG3  LYS  35           HG3      LYS  35  18.724   9.165  -3.656
  267    HD2  LYS  35           HD2      LYS  35  21.036   9.038  -4.299
  268    HD3  LYS  35           HD3      LYS  35  21.453  10.461  -3.317
  269    HE2  LYS  35           HE2      LYS  35  20.623   9.266  -1.288
  270    HE3  LYS  35           HE3      LYS  35  20.351   7.819  -2.270
  271    HZ1  LYS  35           HZ3      LYS  35  22.981   9.165  -1.944
  272    HZ2  LYS  35           HZ1      LYS  35  22.541   7.829  -1.097
  273    HZ3  LYS  35           HZ2      LYS  35  22.712   7.699  -2.709
  274    H    ASN  36           H        ASN  36  19.378  14.871  -3.235
  275    HA   ASN  36           HA       ASN  36  17.815  16.358  -3.182
  276    HB2  ASN  36           HB2      ASN  36  17.899  17.970  -4.670
  277    HB3  ASN  36           HB3      ASN  36  19.364  17.076  -5.043
  278   HD21  ASN  36          HD22      ASN  36  18.149  14.993  -6.634
  279   HD22  ASN  36          HD21      ASN  36  17.663  15.748  -8.146
  280    H    TYR  37           H        TYR  37  16.468  14.077  -2.834
  281    HA   TYR  37           HA       TYR  37  13.939  14.156  -4.327
  282    HB2  TYR  37           HB2      TYR  37  14.862  12.914  -1.718
  283    HB3  TYR  37           HB3      TYR  37  13.162  12.980  -2.110
  284    HD1  TYR  37           HD1      TYR  37  16.395  11.383  -2.962
  285    HD2  TYR  37           HD2      TYR  37  12.149  11.498  -3.676
  286    HE1  TYR  37           HE1      TYR  37  16.580   9.398  -4.458
  287    HE2  TYR  37           HE2      TYR  37  12.338   9.532  -5.176
  288    HH   TYR  37           HH       TYR  37  13.765   7.985  -6.160
  289    H    ILE  38           H        ILE  38  15.442  16.105  -1.928
  290    HA   ILE  38           HA       ILE  38  13.023  17.723  -1.499
  291    HB   ILE  38           HB       ILE  38  13.602  17.830   0.941
  292   HG12  ILE  38          HG12      ILE  38  15.430  15.462   0.333
  293   HG13  ILE  38          HG13      ILE  38  15.962  17.101   0.729
  294   HG21  ILE  38          HG21      ILE  38  11.769  16.344   0.198
  295   HG22  ILE  38          HG22      ILE  38  12.930  14.992   0.097
  296   HG23  ILE  38          HG23      ILE  38  12.575  15.764   1.650
  297   HD11  ILE  38          HD13      ILE  38  14.867  16.893   2.940
  298   HD12  ILE  38          HD11      ILE  38  14.523  15.178   2.569
  299   HD13  ILE  38          HD12      ILE  38  16.194  15.737   2.625
  300    H    SER  39           H        SER  39  13.764  19.735  -0.272
  301    HA   SER  39           HA       SER  39  16.476  20.671  -1.094
  302    HB2  SER  39           HB2      SER  39  14.061  22.375  -0.376
  303    HB3  SER  39           HB3      SER  39  15.530  22.863  -1.236
  304    HG   SER  39           HG       SER  39  13.458  21.126  -2.140
  305    H    GLU  40           H        GLU  40  17.546  22.066   0.611
  306    HA   GLU  40           HA       GLU  40  17.471  20.829   3.142
  307    HB2  GLU  40           HB2      GLU  40  18.573  23.548   2.328
  308    HB3  GLU  40           HB3      GLU  40  18.895  22.751   3.875
  309    HG2  GLU  40           HG2      GLU  40  19.893  20.812   2.661
  310    HG3  GLU  40           HG3      GLU  40  19.637  21.635   1.130
  311    H    ASN  41           H        ASN  41  15.655  23.659   1.992
  312    HA   ASN  41           HA       ASN  41  14.706  24.647   4.470
  313    HB2  ASN  41           HB2      ASN  41  14.322  25.799   2.316
  314    HB3  ASN  41           HB3      ASN  41  13.254  24.493   1.784
  315   HD21  ASN  41          HD22      ASN  41  11.081  24.345   2.699
  316   HD22  ASN  41          HD21      ASN  41  10.444  25.647   3.679
  317    H    TYR  42           H        TYR  42  13.641  21.813   2.582
  318    HA   TYR  42           HA       TYR  42  11.114  21.402   3.826
  319    HB2  TYR  42           HB2      TYR  42  11.911  20.372   1.698
  320    HB3  TYR  42           HB3      TYR  42  13.092  19.436   2.605
  321    HD1  TYR  42           HD1      TYR  42   9.506  19.831   1.883
  322    HD2  TYR  42           HD2      TYR  42  12.528  17.470   3.852
  323    HE1  TYR  42           HE1      TYR  42   7.903  17.928   2.080
  324    HE2  TYR  42           HE2      TYR  42  10.943  15.581   4.050
  325    HH   TYR  42           HH       TYR  42   8.854  14.766   3.553
  326    H    ILE  43           H        ILE  43  14.379  20.158   4.529
  327    HA   ILE  43           HA       ILE  43  13.818  18.524   6.753
  328    HB   ILE  43           HB       ILE  43  16.329  20.116   6.185
  329   HG12  ILE  43          HG12      ILE  43  15.224  17.472   5.170
  330   HG13  ILE  43          HG13      ILE  43  15.682  18.879   4.204
  331   HG21  ILE  43          HG21      ILE  43  16.106  19.102   8.491
  332   HG22  ILE  43          HG22      ILE  43  15.969  17.513   7.733
  333   HG23  ILE  43          HG23      ILE  43  17.454  18.467   7.544
  334   HD11  ILE  43          HD13      ILE  43  17.286  17.176   3.950
  335   HD12  ILE  43          HD11      ILE  43  18.015  18.569   4.803
  336   HD13  ILE  43          HD12      ILE  43  17.579  17.087   5.696
  337    H    GLN  44           H        GLN  44  14.805  22.003   6.545
  338    HA   GLN  44           HA       GLN  44  14.689  22.330   9.360
  339    HB2  GLN  44           HB2      GLN  44  16.004  23.714   7.588
  340    HB3  GLN  44           HB3      GLN  44  14.519  24.654   7.432
  341    HG2  GLN  44           HG2      GLN  44  16.044  25.721   9.036
  342    HG3  GLN  44           HG3      GLN  44  14.609  25.164   9.882
  343   HE21  GLN  44          HE22      GLN  44  15.141  24.256  11.893
  344   HE22  GLN  44          HE21      GLN  44  16.541  23.264  12.200
  345    H    ALA  45           H        ALA  45  12.144  22.626   6.925
  346    HA   ALA  45           HA       ALA  45  10.263  24.033   8.490
  347    HB1  ALA  45           HB3      ALA  45   9.662  21.749   6.549
  348    HB2  ALA  45           HB1      ALA  45   8.555  23.011   7.084
  349    HB3  ALA  45           HB2      ALA  45   9.950  23.443   6.073
  350    H    ILE  46           H        ILE  46  11.111  20.506   8.470
  351    HA   ILE  46           HA       ILE  46   9.033  19.824  10.355
  352    HB   ILE  46           HB       ILE  46  11.637  18.335   9.893
  353   HG12  ILE  46          HG12      ILE  46   9.065  17.896   8.363
  354   HG13  ILE  46          HG13      ILE  46  10.489  18.688   7.701
  355   HG21  ILE  46          HG21      ILE  46   8.880  17.327  10.751
  356   HG22  ILE  46          HG22      ILE  46  10.406  16.413  10.766
  357   HG23  ILE  46          HG23      ILE  46  10.173  17.743  11.889
  358   HD11  ILE  46          HD13      ILE  46  11.839  16.654   8.067
  359   HD12  ILE  46          HD11      ILE  46  10.396  15.793   8.617
  360   HD13  ILE  46          HD12      ILE  46  10.474  16.388   6.959
  361    H    LYS  47           H        LYS  47  12.594  20.515  10.605
  362    HA   LYS  47           HA       LYS  47  12.761  20.039  13.372
  363    HB2  LYS  47           HB2      LYS  47  14.260  21.990  11.585
  364    HB3  LYS  47           HB3      LYS  47  14.754  21.668  13.246
  365    HG2  LYS  47           HG2      LYS  47  15.414  19.422  12.715
  366    HG3  LYS  47           HG3      LYS  47  14.665  19.511  11.107
  367    HD2  LYS  47           HD2      LYS  47  16.209  21.199  10.394
  368    HD3  LYS  47           HD3      LYS  47  16.964  21.284  12.001
  369    HE2  LYS  47           HE2      LYS  47  17.919  19.084  11.735
  370    HE3  LYS  47           HE3      LYS  47  17.008  18.791  10.259
  371    HZ1  LYS  47           HZ3      LYS  47  18.292  20.710   9.284
  372    HZ2  LYS  47           HZ1      LYS  47  19.212  20.746  10.628
  373    HZ3  LYS  47           HZ2      LYS  47  19.231  19.427   9.655
  374    H    ASP  48           H        ASP  48  12.038  23.106  11.625
  375    HA   ASP  48           HA       ASP  48  11.912  24.787  13.895
  376    HB2  ASP  48           HB2      ASP  48  12.151  25.644  11.627
  377    HB3  ASP  48           HB3      ASP  48  10.578  24.979  11.168
  378    H    SER  49           H        SER  49   9.327  22.925  12.193
  379    HA   SER  49           HA       SER  49   7.178  23.859  13.836
  380    HB2  SER  49           HB2      SER  49   7.443  21.194  12.378
  381    HB3  SER  49           HB3      SER  49   5.947  21.981  12.911
  382    HG   SER  49           HG       SER  49   7.742  22.749  10.866
  383    H    THR  50           H        THR  50   9.345  21.017  14.069
  384    HA   THR  50           HA       THR  50   8.296  19.849  16.374
  385    HB   THR  50           HB       THR  50  11.114  19.877  15.240
  386    HG1  THR  50           HG1      THR  50   9.730  19.046  13.807
  387   HG21  THR  50          HG23      THR  50   9.852  18.110  17.343
  388   HG22  THR  50          HG21      THR  50  11.273  17.636  16.385
  389   HG23  THR  50          HG22      THR  50  11.354  19.044  17.465
  390    H    ILE  51           H        ILE  51  10.824  22.415  16.082
  391    HA   ILE  51           HA       ILE  51  11.252  22.673  18.907
  392    HB   ILE  51           HB       ILE  51  11.826  24.393  16.475
  393   HG12  ILE  51          HG12      ILE  51  13.733  22.955  18.385
  394   HG13  ILE  51          HG13      ILE  51  13.064  22.174  16.962
  395   HG21  ILE  51          HG21      ILE  51  13.266  25.839  17.894
  396   HG22  ILE  51          HG22      ILE  51  11.570  25.989  18.319
  397   HG23  ILE  51          HG23      ILE  51  12.651  25.016  19.344
  398   HD11  ILE  51          HD13      ILE  51  14.078  23.939  15.512
  399   HD12  ILE  51          HD11      ILE  51  14.886  24.608  16.953
  400   HD13  ILE  51          HD12      ILE  51  15.255  22.965  16.413
  401    H    ASN  52           H        ASN  52   9.026  24.292  16.620
  402    HA   ASN  52           HA       ASN  52   8.205  26.401  18.306
  403    HB2  ASN  52           HB2      ASN  52   7.152  25.085  15.819
  404    HB3  ASN  52           HB3      ASN  52   5.945  25.902  16.763
  405   HD21  ASN  52          HD22      ASN  52   9.089  26.386  15.147
  406   HD22  ASN  52          HD21      ASN  52   8.929  28.117  14.947
  407    H    ASN  53           H        ASN  53   7.011  23.082  18.092
  408    HA   ASN  53           HA       ASN  53   5.042  23.596  20.293
  409    HB2  ASN  53           HB2      ASN  53   3.830  24.076  18.292
  410    HB3  ASN  53           HB3      ASN  53   4.594  22.761  17.412
  411   HD21  ASN  53          HD22      ASN  53   2.657  21.995  16.708
  412   HD22  ASN  53          HD21      ASN  53   1.554  21.099  17.744
  413    H    GLY  54           H        GLY  54   6.197  21.057  17.973
  414    HA2  GLY  54           HA2      GLY  54   7.555  19.400  19.636
  415    HA3  GLY  54           HA3      GLY  54   5.864  18.910  19.895
  416    HA   PRO  55           HA       PRO  55   7.745  16.923  15.917
  417    HB2  PRO  55           HB2      PRO  55   6.784  14.619  17.656
  418    HB3  PRO  55           HB3      PRO  55   8.027  14.589  16.354
  419    HG2  PRO  55           HG2      PRO  55   8.801  14.758  18.892
  420    HG3  PRO  55           HG3      PRO  55   9.518  15.882  17.703
  421    HD2  PRO  55           HD2      PRO  55   7.281  16.441  19.687
  422    HD3  PRO  55           HD3      PRO  55   8.698  17.452  19.278
  423    H    TYR  56           H        TYR  56   6.448  16.277  14.250
  424    HA   TYR  56           HA       TYR  56   3.500  16.514  14.713
  425    HB2  TYR  56           HB2      TYR  56   5.312  17.207  12.400
  426    HB3  TYR  56           HB3      TYR  56   3.617  16.856  12.109
  427    HD1  TYR  56           HD2      TYR  56   5.799  18.994  14.295
  428    HD2  TYR  56           HD1      TYR  56   1.982  18.513  12.359
  429    HE1  TYR  56           HE2      TYR  56   5.077  21.193  15.185
  430    HE2  TYR  56           HE1      TYR  56   1.274  20.745  13.174
  431    HH   TYR  56           HH       TYR  56   1.875  22.629  14.428
  432    H    TYR  57           H        TYR  57   5.791  14.096  14.213
  433    HA   TYR  57           HA       TYR  57   3.821  12.229  13.021
  434    HB2  TYR  57           HB2      TYR  57   6.584  12.841  11.939
  435    HB3  TYR  57           HB3      TYR  57   5.616  11.426  11.532
  436    HD1  TYR  57           HD1      TYR  57   3.591  11.571  10.183
  437    HD2  TYR  57           HD2      TYR  57   5.912  15.105  11.081
  438    HE1  TYR  57           HE1      TYR  57   2.320  12.831   8.478
  439    HE2  TYR  57           HE2      TYR  57   4.675  16.357   9.346
  440    HH   TYR  57           HH       TYR  57   1.947  14.925   7.502
  441    H    ILE  58           H        ILE  58   3.669  11.322  15.102
  442    HA   ILE  58           HA       ILE  58   5.965   9.659  15.965
  443    HB   ILE  58           HB       ILE  58   4.064  11.080  17.869
  444   HG12  ILE  58          HG12      ILE  58   5.742  12.672  17.040
  445   HG13  ILE  58          HG13      ILE  58   5.883  12.346  18.757
  446   HG21  ILE  58          HG21      ILE  58   5.534  10.045  19.639
  447   HG22  ILE  58          HG22      ILE  58   4.616   8.864  18.697
  448   HG23  ILE  58          HG23      ILE  58   6.334   9.095  18.364
  449   HD11  ILE  58          HD13      ILE  58   8.104  12.499  17.740
  450   HD12  ILE  58          HD11      ILE  58   7.836  10.875  18.344
  451   HD13  ILE  58          HD12      ILE  58   7.697  11.204  16.599
  452    H    LEU  59           H        LEU  59   5.264   7.565  15.958
  453    HA   LEU  59           HA       LEU  59   2.338   7.164  15.493
  454    HB2  LEU  59           HB2      LEU  59   4.721   5.931  14.102
  455    HB3  LEU  59           HB3      LEU  59   3.120   5.201  14.112
  456    HG   LEU  59           HG       LEU  59   2.199   7.470  13.283
  457   HD11  LEU  59          HD11      LEU  59   5.168   7.874  12.634
  458   HD12  LEU  59          HD12      LEU  59   3.827   8.771  11.870
  459   HD13  LEU  59          HD13      LEU  59   4.097   8.932  13.574
  460   HD21  LEU  59          HD23      LEU  59   3.994   6.048  11.321
  461   HD22  LEU  59          HD21      LEU  59   2.453   5.364  11.923
  462   HD23  LEU  59          HD22      LEU  59   2.449   6.875  11.020
  463    H    ALA  60           H        ALA  60   5.132   6.152  17.328
  464    HA   ALA  60           HA       ALA  60   3.413   4.677  19.079
  465    HB1  ALA  60           HB3      ALA  60   4.033   2.840  17.485
  466    HB2  ALA  60           HB1      ALA  60   5.752   3.196  17.767
  467    HB3  ALA  60           HB2      ALA  60   4.749   2.576  19.081
  468    HA   PRO  61           HA       PRO  61   6.684   6.403  21.684
  469    HB2  PRO  61           HB2      PRO  61   6.934   4.588  23.745
  470    HB3  PRO  61           HB3      PRO  61   5.629   5.803  23.610
  471    HG2  PRO  61           HG2      PRO  61   5.549   2.879  22.822
  472    HG3  PRO  61           HG3      PRO  61   4.319   3.819  23.723
  473    HD2  PRO  61           HD2      PRO  61   4.089   3.326  21.060
  474    HD3  PRO  61           HD3      PRO  61   3.565   4.886  21.755
  475    H    GLY  62           H        GLY  62   8.485   6.364  20.519
  476    HA2  GLY  62           HA2      GLY  62  10.768   5.474  20.502
  477    HA3  GLY  62           HA3      GLY  62  10.103   3.858  20.285
  478    H    VAL  63           H        VAL  63   8.079   5.600  18.324
  479    HA   VAL  63           HA       VAL  63   9.848   5.312  15.943
  480    HB   VAL  63           HB       VAL  63   7.013   4.254  16.241
  481   HG11  VAL  63          HG11      VAL  63   7.317   3.178  14.061
  482   HG12  VAL  63          HG12      VAL  63   7.608   4.912  13.914
  483   HG13  VAL  63          HG13      VAL  63   8.986   3.801  13.964
  484   HG21  VAL  63          HG23      VAL  63   8.132   1.988  16.015
  485   HG22  VAL  63          HG21      VAL  63   9.681   2.784  16.299
  486   HG23  VAL  63          HG22      VAL  63   8.423   2.798  17.553
  487    H    ALA  64           H        ALA  64   9.807   7.069  14.717
  488    HA   ALA  64           HA       ALA  64   7.460   8.899  14.708
  489    HB1  ALA  64           HB3      ALA  64   9.044  10.764  14.295
  490    HB2  ALA  64           HB1      ALA  64   9.450   9.951  15.806
  491    HB3  ALA  64           HB2      ALA  64  10.403   9.633  14.336
  492    H    MET  65           H        MET  65   7.384  10.148  12.602
  493    HA   MET  65           HA       MET  65   8.527   8.627  10.364
  494    HB2  MET  65           HB2      MET  65   6.358   7.651  10.744
  495    HB3  MET  65           HB3      MET  65   5.609   9.242  10.522
  496    HG2  MET  65           HG2      MET  65   7.266   8.766   8.238
  497    HG3  MET  65           HG3      MET  65   6.420   7.261   8.561
  498    HE1  MET  65           HE3      MET  65   3.992   7.058   8.941
  499    HE2  MET  65           HE1      MET  65   3.461   8.554   9.769
  500    HE3  MET  65           HE2      MET  65   2.739   8.094   8.201
  501    HA   PRO  66           HA       PRO  66   8.630  13.341  10.345
  502    HB2  PRO  66           HB2      PRO  66  11.433  12.822   9.290
  503    HB3  PRO  66           HB3      PRO  66  10.868  14.142  10.363
  504    HG2  PRO  66           HG2      PRO  66  12.106  12.029  11.461
  505    HG3  PRO  66           HG3      PRO  66  10.595  12.624  12.207
  506    HD2  PRO  66           HD2      PRO  66  10.931  10.308  10.269
  507    HD3  PRO  66           HD3      PRO  66  10.081  10.348  11.837
  508    H    HIS  67           H        HIS  67   8.347  14.753   8.720
  509    HA   HIS  67           HA       HIS  67   8.638  14.497   5.912
  510    HB2  HIS  67           HB2      HIS  67   7.093  12.679   5.908
  511    HB3  HIS  67           HB3      HIS  67   6.126  13.375   7.194
  512    HD1  HIS  67           HD1      HIS  67   4.143  14.955   6.533
  513    HD2  HIS  67           HD2      HIS  67   6.586  13.773   3.301
  514    HE1  HIS  67           HE1      HIS  67   2.886  15.537   4.409
  515    H    ALA  68           H        ALA  68   7.477  16.342   4.892
  516    HA   ALA  68           HA       ALA  68   6.035  18.233   6.608
  517    HB1  ALA  68           HB3      ALA  68   8.446  19.024   4.911
  518    HB2  ALA  68           HB1      ALA  68   7.277  20.150   5.624
  519    HB3  ALA  68           HB2      ALA  68   8.305  19.178   6.672
  520    H    ARG  69           H        ARG  69   4.807  19.749   5.174
  521    HA   ARG  69           HA       ARG  69   3.411  18.363   3.147
  522    HB2  ARG  69           HB2      ARG  69   3.810  21.319   3.709
  523    HB3  ARG  69           HB3      ARG  69   2.729  20.744   2.426
  524    HG2  ARG  69           HG2      ARG  69   1.412  19.468   4.096
  525    HG3  ARG  69           HG3      ARG  69   2.461  20.056   5.391
  526    HD2  ARG  69           HD2      ARG  69   0.724  21.781   3.571
  527    HD3  ARG  69           HD3      ARG  69   0.333  21.342   5.229
  528    HE   ARG  69           HE       ARG  69   2.194  23.378   4.296
  529   HH11  ARG  69          HH11      ARG  69   1.288  21.398   7.102
  530   HH12  ARG  69          HH12      ARG  69   2.061  22.423   8.252
  531   HH21  ARG  69          HH21      ARG  69   3.230  24.738   5.826
  532   HH22  ARG  69          HH22      ARG  69   3.177  24.371   7.506
  533    HA   PRO  70           HA       PRO  70   6.210  18.129  -0.303
  534    HB2  PRO  70           HB2      PRO  70   3.790  19.219  -1.823
  535    HB3  PRO  70           HB3      PRO  70   4.934  17.961  -2.347
  536    HG2  PRO  70           HG2      PRO  70   2.559  17.256  -1.265
  537    HG3  PRO  70           HG3      PRO  70   4.038  16.406  -0.713
  538    HD2  PRO  70           HD2      PRO  70   2.506  18.601   0.669
  539    HD3  PRO  70           HD3      PRO  70   3.320  17.163   1.357
  540    H    GLU  71           H        GLU  71   4.117  21.054  -0.171
  541    HA   GLU  71           HA       GLU  71   5.604  22.782  -1.797
  542    HB2  GLU  71           HB2      GLU  71   3.800  23.405   0.584
  543    HB3  GLU  71           HB3      GLU  71   4.284  24.568  -0.647
  544    HG2  GLU  71           HG2      GLU  71   2.588  22.077  -1.119
  545    HG3  GLU  71           HG3      GLU  71   2.000  23.726  -1.005
  546    H    CYS  72           H        CYS  72   6.589  21.592   1.273
  547    HA   CYS  72           HA       CYS  72   8.043  24.001   2.107
  548    HB2  CYS  72           HB2      CYS  72   8.156  21.150   3.190
  549    HB3  CYS  72           HB3      CYS  72   8.875  22.591   3.926
  550    HG   CYS  72           HG       CYS  72   5.744  21.810   3.331
  551    H    GLY  73           H        GLY  73   8.547  21.796  -0.372
  552    HA2  GLY  73           HA2      GLY  73  10.535  22.487  -1.661
  553    HA3  GLY  73           HA3      GLY  73  11.519  22.212  -0.222
  554    H    ALA  74           H        ALA  74   8.905  19.912  -0.891
  555    HA   ALA  74           HA       ALA  74  10.805  17.732  -1.374
  556    HB1  ALA  74           HB3      ALA  74   8.841  16.401  -1.782
  557    HB2  ALA  74           HB1      ALA  74   8.601  17.340  -0.297
  558    HB3  ALA  74           HB2      ALA  74   7.819  17.854  -1.817
  559    H    LEU  75           H        LEU  75  11.244  16.793  -3.327
  560    HA   LEU  75           HA       LEU  75  10.534  18.328  -5.797
  561    HB2  LEU  75           HB2      LEU  75  13.200  17.087  -5.031
  562    HB3  LEU  75           HB3      LEU  75  12.850  17.890  -6.554
  563    HG   LEU  75           HG       LEU  75  12.864  19.235  -3.816
  564   HD11  LEU  75          HD11      LEU  75  14.945  20.312  -4.596
  565   HD12  LEU  75          HD12      LEU  75  15.107  18.558  -4.493
  566   HD13  LEU  75          HD13      LEU  75  14.900  19.329  -6.078
  567   HD21  LEU  75          HD23      LEU  75  11.344  20.410  -5.371
  568   HD22  LEU  75          HD21      LEU  75  12.803  21.360  -5.098
  569   HD23  LEU  75          HD22      LEU  75  12.615  20.445  -6.611
  570    H    LYS  76           H        LYS  76  11.254  15.184  -4.291
  571    HA   LYS  76           HA       LYS  76   9.856  13.828  -6.475
  572    HB2  LYS  76           HB2      LYS  76  12.586  13.054  -5.418
  573    HB3  LYS  76           HB3      LYS  76  11.611  12.046  -6.491
  574    HG2  LYS  76           HG2      LYS  76  11.788  13.814  -8.245
  575    HG3  LYS  76           HG3      LYS  76  12.836  14.759  -7.172
  576    HD2  LYS  76           HD2      LYS  76  13.466  11.942  -8.156
  577    HD3  LYS  76           HD3      LYS  76  14.073  13.435  -8.888
  578    HE2  LYS  76           HE2      LYS  76  15.160  14.058  -6.739
  579    HE3  LYS  76           HE3      LYS  76  14.600  12.544  -6.012
  580    HZ1  LYS  76           HZ3      LYS  76  16.404  12.682  -8.357
  581    HZ2  LYS  76           HZ1      LYS  76  16.899  12.464  -6.816
  582    HZ3  LYS  76           HZ2      LYS  76  15.967  11.325  -7.551
  583    H    THR  77           H        THR  77   9.104  11.634  -5.714
  584    HA   THR  77           HA       THR  77   8.545  11.727  -2.900
  585    HB   THR  77           HB       THR  77   7.521  10.089  -5.241
  586    HG1  THR  77           HG1      THR  77   6.178  11.637  -5.545
  587   HG21  THR  77          HG23      THR  77   6.344  10.433  -2.459
  588   HG22  THR  77          HG21      THR  77   5.634   9.513  -3.816
  589   HG23  THR  77          HG22      THR  77   7.137   8.964  -3.072
  590    H    GLY  78           H        GLY  78   9.449  10.375  -1.363
  591    HA2  GLY  78           HA2      GLY  78  10.594   7.792  -1.906
  592    HA3  GLY  78           HA3      GLY  78  11.841   9.043  -1.767
  593    H    MET  79           H        MET  79  12.177   7.340   0.171
  594    HA   MET  79           HA       MET  79  11.092   8.510   2.648
  595    HB2  MET  79           HB2      MET  79  10.921   5.598   1.754
  596    HB3  MET  79           HB3      MET  79  10.777   6.073   3.436
  597    HG2  MET  79           HG2      MET  79   8.786   7.405   2.975
  598    HG3  MET  79           HG3      MET  79   8.897   7.020   1.259
  599    HE1  MET  79           HE3      MET  79   6.056   4.587   1.648
  600    HE2  MET  79           HE1      MET  79   6.089   6.231   2.327
  601    HE3  MET  79           HE2      MET  79   6.829   5.904   0.745
  602    H    SER  80           H        SER  80  12.159   7.368   4.551
  603    HA   SER  80           HA       SER  80  14.899   6.398   4.086
  604    HB2  SER  80           HB2      SER  80  14.382   8.433   6.264
  605    HB3  SER  80           HB3      SER  80  15.928   7.929   5.584
  606    HG   SER  80           HG       SER  80  14.918  10.070   5.080
  607    H    LEU  81           H        LEU  81  15.719   5.449   6.242
  608    HA   LEU  81           HA       LEU  81  13.695   4.729   8.233
  609    HB2  LEU  81           HB2      LEU  81  13.523   2.990   6.489
  610    HB3  LEU  81           HB3      LEU  81  15.258   2.735   6.508
  611    HG   LEU  81           HG       LEU  81  15.234   1.655   8.581
  612   HD11  LEU  81          HD11      LEU  81  13.299   1.352  10.011
  613   HD12  LEU  81          HD12      LEU  81  13.594   3.076   9.829
  614   HD13  LEU  81          HD13      LEU  81  12.294   2.276   8.899
  615   HD21  LEU  81          HD23      LEU  81  14.340   0.491   6.493
  616   HD22  LEU  81          HD21      LEU  81  13.823  -0.257   8.030
  617   HD23  LEU  81          HD22      LEU  81  12.717   0.779   7.118
  618    H    THR  82           H        THR  82  14.987   6.106   9.589
  619    HA   THR  82           HA       THR  82  17.855   5.456   9.991
  620    HB   THR  82           HB       THR  82  16.023   7.518  11.310
  621    HG1  THR  82           HG1      THR  82  16.378   7.782   9.029
  622   HG21  THR  82          HG23      THR  82  18.170   8.653  11.897
  623   HG22  THR  82          HG21      THR  82  17.977   7.094  12.702
  624   HG23  THR  82          HG22      THR  82  19.060   7.229  11.295
  625    H    LEU  83           H        LEU  83  18.581   4.400  11.893
  626    HA   LEU  83           HA       LEU  83  16.640   4.059  14.070
  627    HB2  LEU  83           HB2      LEU  83  16.604   1.964  12.714
  628    HB3  LEU  83           HB3      LEU  83  18.298   1.692  13.127
  629    HG   LEU  83           HG       LEU  83  16.171   2.147  15.269
  630   HD11  LEU  83          HD11      LEU  83  15.999  -0.317  15.476
  631   HD12  LEU  83          HD12      LEU  83  15.375   0.248  13.932
  632   HD13  LEU  83          HD13      LEU  83  16.981  -0.496  14.011
  633   HD21  LEU  83          HD23      LEU  83  18.848   0.689  15.309
  634   HD22  LEU  83          HD21      LEU  83  18.457   2.242  16.063
  635   HD23  LEU  83          HD22      LEU  83  17.697   0.788  16.668
  636    H    LEU  84           H        LEU  84  17.574   4.991  15.783
  637    HA   LEU  84           HA       LEU  84  20.533   5.320  15.975
  638    HB2  LEU  84           HB2      LEU  84  18.287   6.239  17.826
  639    HB3  LEU  84           HB3      LEU  84  19.998   6.555  18.026
  640    HG   LEU  84           HG       LEU  84  19.210   8.538  17.381
  641   HD11  LEU  84          HD11      LEU  84  21.124   7.799  15.917
  642   HD12  LEU  84          HD12      LEU  84  19.932   7.352  14.666
  643   HD13  LEU  84          HD13      LEU  84  20.112   9.037  15.153
  644   HD21  LEU  84          HD23      LEU  84  16.929   7.889  16.761
  645   HD22  LEU  84          HD21      LEU  84  17.620   9.029  15.597
  646   HD23  LEU  84          HD22      LEU  84  17.503   7.304  15.188
  647    H    GLU  85           H        GLU  85  21.680   3.871  17.302
  648    HA   GLU  85           HA       GLU  85  20.372   1.850  18.855
  649    HB2  GLU  85           HB2      GLU  85  23.206   2.974  18.953
  650    HB3  GLU  85           HB3      GLU  85  22.653   1.575  19.882
  651    HG2  GLU  85           HG2      GLU  85  22.047   0.416  17.757
  652    HG3  GLU  85           HG3      GLU  85  22.679   1.780  16.837
  653    H    GLN  86           H        GLN  86  21.368   5.161  19.429
  654    HA   GLN  86           HA       GLN  86  20.155   5.184  22.149
  655    HB2  GLN  86           HB2      GLN  86  22.662   6.595  21.214
  656    HB3  GLN  86           HB3      GLN  86  21.911   6.805  22.794
  657    HG2  GLN  86           HG2      GLN  86  22.427   4.548  23.451
  658    HG3  GLN  86           HG3      GLN  86  22.857   4.082  21.803
  659   HE21  GLN  86          HE22      GLN  86  24.682   5.239  20.756
  660   HE22  GLN  86          HE21      GLN  86  26.115   5.463  21.738
  661    H    GLY  87           H        GLY  87  18.297   5.624  20.851
  662    HA2  GLY  87           HA2      GLY  87  17.723   7.810  19.250
  663    HA3  GLY  87           HA3      GLY  87  16.600   7.015  20.357
  664    H    VAL  88           H        VAL  88  16.461   9.676  19.686
  665    HA   VAL  88           HA       VAL  88  17.197  11.143  22.166
  666    HB   VAL  88           HB       VAL  88  17.459  11.901  19.218
  667   HG11  VAL  88          HG11      VAL  88  18.293  14.097  19.930
  668   HG12  VAL  88          HG12      VAL  88  16.571  13.880  20.136
  669   HG13  VAL  88          HG13      VAL  88  17.648  13.804  21.566
  670   HG21  VAL  88          HG23      VAL  88  19.818  12.363  19.979
  671   HG22  VAL  88          HG21      VAL  88  19.399  11.710  21.569
  672   HG23  VAL  88          HG22      VAL  88  19.336  10.664  20.131
  673    H    TYR  89           H        TYR  89  15.721  12.782  22.732
  674    HA   TYR  89           HA       TYR  89  12.919  12.299  21.834
  675    HB2  TYR  89           HB2      TYR  89  12.129  12.665  23.891
  676    HB3  TYR  89           HB3      TYR  89  13.611  11.844  24.313
  677    HD1  TYR  89           HD1      TYR  89  15.503  13.143  25.351
  678    HD2  TYR  89           HD2      TYR  89  11.755  14.976  24.303
  679    HE1  TYR  89           HE1      TYR  89  16.080  15.099  26.774
  680    HE2  TYR  89           HE2      TYR  89  12.296  16.941  25.737
  681    HH   TYR  89           HH       TYR  89  13.873  17.915  27.163
  682    H    PHE  90           H        PHE  90  11.676  14.495  22.365
  683    HA   PHE  90           HA       PHE  90  13.114  16.629  20.787
  684    HB2  PHE  90           HB2      PHE  90  10.426  15.293  20.673
  685    HB3  PHE  90           HB3      PHE  90  10.780  16.776  19.765
  686    HD1  PHE  90           HD2      PHE  90  12.669  16.800  18.069
  687    HD2  PHE  90           HD1      PHE  90  11.140  13.129  19.735
  688    HE1  PHE  90           HE2      PHE  90  13.707  15.531  16.212
  689    HE2  PHE  90           HE1      PHE  90  12.210  11.866  17.883
  690    HZ   PHE  90           HZ       PHE  90  13.480  13.058  16.117
  691    HA   PRO  91           HA       PRO  91  11.736  19.469  23.788
  692    HB2  PRO  91           HB2      PRO  91  11.143  21.773  22.353
  693    HB3  PRO  91           HB3      PRO  91  12.787  21.147  22.674
  694    HG2  PRO  91           HG2      PRO  91  11.069  20.702  20.218
  695    HG3  PRO  91           HG3      PRO  91  12.788  21.223  20.286
  696    HD2  PRO  91           HD2      PRO  91  12.144  18.649  19.839
  697    HD3  PRO  91           HD3      PRO  91  13.500  19.055  20.928
  698    H    GLY  92           H        GLY  92   9.373  18.159  21.771
  699    HA2  GLY  92           HA2      GLY  92   7.314  18.964  23.712
  700    HA3  GLY  92           HA3      GLY  92   6.950  19.251  22.008
  701    H    ASN  93           H        ASN  93   8.930  16.443  22.977
  702    HA   ASN  93           HA       ASN  93   6.678  14.671  23.345
  703    HB2  ASN  93           HB2      ASN  93   6.786  14.625  20.861
  704    HB3  ASN  93           HB3      ASN  93   8.491  14.152  20.959
  705   HD21  ASN  93          HD22      ASN  93   9.022  11.961  21.647
  706   HD22  ASN  93          HD21      ASN  93   7.776  10.747  21.647
  707    H    ASP  94           H        ASP  94   7.524  14.212  25.294
  708    HA   ASP  94           HA       ASP  94  10.250  14.262  25.957
  709    HB2  ASP  94           HB2      ASP  94   8.410  14.729  27.507
  710    HB3  ASP  94           HB3      ASP  94   7.871  13.052  27.403
  711    H    GLU  95           H        GLU  95   8.426  11.531  24.637
  712    HA   GLU  95           HA       GLU  95  10.095   9.485  25.756
  713    HB2  GLU  95           HB2      GLU  95   7.717   9.170  25.279
  714    HB3  GLU  95           HB3      GLU  95   7.933   9.761  23.636
  715    HG2  GLU  95           HG2      GLU  95   7.728   7.500  23.443
  716    HG3  GLU  95           HG3      GLU  95   9.424   7.882  23.165
  717    HA   PRO  96           HA       PRO  96  13.053  10.291  22.436
  718    HB2  PRO  96           HB2      PRO  96  14.867   8.329  22.859
  719    HB3  PRO  96           HB3      PRO  96  14.660   9.703  23.996
  720    HG2  PRO  96           HG2      PRO  96  13.493   6.905  24.206
  721    HG3  PRO  96           HG3      PRO  96  14.327   7.849  25.481
  722    HD2  PRO  96           HD2      PRO  96  11.556   7.739  25.179
  723    HD3  PRO  96           HD3      PRO  96  12.411   9.146  25.893
  724    H    ILE  97           H        ILE  97  13.641   9.399  20.412
  725    HA   ILE  97           HA       ILE  97  11.941   7.103  19.524
  726    HB   ILE  97           HB       ILE  97  12.862   9.596  18.051
  727   HG12  ILE  97          HG12      ILE  97  11.084  10.197  19.596
  728   HG13  ILE  97          HG13      ILE  97  10.495  10.246  17.949
  729   HG21  ILE  97          HG21      ILE  97  11.483   8.793  16.197
  730   HG22  ILE  97          HG22      ILE  97  12.769   7.645  16.535
  731   HG23  ILE  97          HG23      ILE  97  11.120   7.301  17.066
  732   HD11  ILE  97          HD13      ILE  97   9.251   8.169  18.258
  733   HD12  ILE  97          HD11      ILE  97   9.943   7.957  19.888
  734   HD13  ILE  97          HD12      ILE  97   8.857   9.299  19.564
  735    H    LYS  98           H        LYS  98  13.020   5.402  18.844
  736    HA   LYS  98           HA       LYS  98  15.924   5.668  18.217
  737    HB2  LYS  98           HB2      LYS  98  14.152   3.208  18.564
  738    HB3  LYS  98           HB3      LYS  98  15.836   3.182  18.015
  739    HG2  LYS  98           HG2      LYS  98  16.517   4.344  20.142
  740    HG3  LYS  98           HG3      LYS  98  14.843   4.251  20.696
  741    HD2  LYS  98           HD2      LYS  98  16.071   2.484  21.735
  742    HD3  LYS  98           HD3      LYS  98  14.967   1.753  20.560
  743    HE2  LYS  98           HE2      LYS  98  16.840   1.524  18.939
  744    HE3  LYS  98           HE3      LYS  98  17.929   2.331  20.068
  745    HZ1  LYS  98           HZ3      LYS  98  18.158  -0.079  20.169
  746    HZ2  LYS  98           HZ1      LYS  98  17.625   0.479  21.602
  747    HZ3  LYS  98           HZ2      LYS  98  16.594  -0.270  20.577
  748    H    LEU  99           H        LEU  99  12.702   5.099  16.716
  749    HA   LEU  99           HA       LEU  99  14.128   4.612  14.149
  750    HB2  LEU  99           HB2      LEU  99  11.670   3.496  15.453
  751    HB3  LEU  99           HB3      LEU  99  11.578   3.707  13.714
  752    HG   LEU  99           HG       LEU  99  13.960   2.280  14.902
  753   HD11  LEU  99          HD11      LEU  99  11.329   0.944  14.172
  754   HD12  LEU  99          HD12      LEU  99  12.822   0.179  14.798
  755   HD13  LEU  99          HD13      LEU  99  11.881   1.260  15.824
  756   HD21  LEU  99          HD23      LEU  99  12.473   2.071  12.234
  757   HD22  LEU  99          HD21      LEU  99  13.993   2.931  12.492
  758   HD23  LEU  99          HD22      LEU  99  13.943   1.175  12.643
  759    H    LEU 100           H        LEU 100  13.826   5.859  12.454
  760    HA   LEU 100           HA       LEU 100  11.497   7.735  12.492
  761    HB2  LEU 100           HB2      LEU 100  14.285   8.694  11.782
  762    HB3  LEU 100           HB3      LEU 100  12.788   9.596  11.873
  763    HG   LEU 100           HG       LEU 100  12.840   8.671  14.390
  764   HD11  LEU 100          HD11      LEU 100  15.022   7.446  14.096
  765   HD12  LEU 100          HD12      LEU 100  15.792   9.003  13.751
  766   HD13  LEU 100          HD13      LEU 100  15.070   8.692  15.347
  767   HD21  LEU 100          HD23      LEU 100  12.666  11.041  13.773
  768   HD22  LEU 100          HD21      LEU 100  13.722  10.775  15.169
  769   HD23  LEU 100          HD22      LEU 100  14.429  11.107  13.575
  770    H    ILE 101           H        ILE 101  10.365   6.973  10.800
  771    HA   ILE 101           HA       ILE 101  11.815   6.229   8.352
  772    HB   ILE 101           HB       ILE 101   8.927   5.859   9.222
  773   HG12  ILE 101          HG12      ILE 101   9.541   3.500   8.497
  774   HG13  ILE 101          HG13      ILE 101  11.182   4.055   8.226
  775   HG21  ILE 101          HG21      ILE 101   8.742   6.675   6.937
  776   HG22  ILE 101          HG22      ILE 101  10.026   5.572   6.392
  777   HG23  ILE 101          HG23      ILE 101   8.471   4.937   6.955
  778   HD11  ILE 101          HD13      ILE 101  11.580   4.343  10.547
  779   HD12  ILE 101          HD11      ILE 101   9.835   4.343  10.942
  780   HD13  ILE 101          HD12      ILE 101  10.645   2.849  10.443
  781    H    GLY 102           H        GLY 102  12.359   7.790   6.992
  782    HA2  GLY 102           HA2      GLY 102  11.100  10.463   7.120
  783    HA3  GLY 102           HA3      GLY 102  12.400   9.965   6.033
  784    H    LEU 103           H        LEU 103   9.793  11.309   5.341
  785    HA   LEU 103           HA       LEU 103   9.319   9.645   2.976
  786    HB2  LEU 103           HB2      LEU 103   7.437   9.089   4.684
  787    HB3  LEU 103           HB3      LEU 103   6.949  10.758   4.520
  788    HG   LEU 103           HG       LEU 103   6.746   8.465   2.505
  789   HD11  LEU 103          HD11      LEU 103   4.949   9.062   4.262
  790   HD12  LEU 103          HD12      LEU 103   4.774  10.622   3.474
  791   HD13  LEU 103          HD13      LEU 103   4.391   9.131   2.599
  792   HD21  LEU 103          HD23      LEU 103   7.455  10.091   1.036
  793   HD22  LEU 103          HD21      LEU 103   5.718  10.194   0.930
  794   HD23  LEU 103          HD22      LEU 103   6.558  11.427   1.856
  795    H    SER 104           H        SER 104   9.312  11.025   1.210
  796    HA   SER 104           HA       SER 104   8.647  13.878   1.534
  797    HB2  SER 104           HB2      SER 104  10.362  14.505  -0.057
  798    HB3  SER 104           HB3      SER 104  11.109  13.741   1.355
  799    HG   SER 104           HG       SER 104  10.906  12.864  -1.293
  800    H    ALA 105           H        ALA 105   7.461  14.678  -0.330
  801    HA   ALA 105           HA       ALA 105   6.842  12.704  -2.422
  802    HB1  ALA 105           HB3      ALA 105   5.188  12.205  -0.681
  803    HB2  ALA 105           HB1      ALA 105   4.765  13.935  -0.574
  804    HB3  ALA 105           HB2      ALA 105   4.416  13.025  -2.056
  805    H    ALA 106           H        ALA 106   6.588  13.710  -4.349
  806    HA   ALA 106           HA       ALA 106   7.003  16.557  -4.475
  807    HB1  ALA 106           HB3      ALA 106   6.852  16.200  -6.925
  808    HB2  ALA 106           HB1      ALA 106   7.914  14.998  -6.172
  809    HB3  ALA 106           HB2      ALA 106   6.262  14.546  -6.656
  810    H    ASP 107           H        ASP 107   4.141  14.515  -4.371
  811    HA   ASP 107           HA       ASP 107   2.418  16.922  -4.630
  812    HB2  ASP 107           HB2      ASP 107   2.507  15.932  -6.891
  813    HB3  ASP 107           HB3      ASP 107   2.046  14.362  -6.236
  814    H    ALA 108           H        ALA 108   0.279  16.591  -3.681
  815    HA   ALA 108           HA       ALA 108   0.402  15.249  -1.219
  816    HB1  ALA 108           HB3      ALA 108  -2.039  16.243  -2.750
  817    HB2  ALA 108           HB1      ALA 108  -1.981  15.852  -1.019
  818    HB3  ALA 108           HB2      ALA 108  -1.028  17.210  -1.645
  819    H    ASP 109           H        ASP 109  -0.910  14.087  -4.350
  820    HA   ASP 109           HA       ASP 109  -2.186  11.759  -3.086
  821    HB2  ASP 109           HB2      ASP 109  -3.087  12.594  -5.140
  822    HB3  ASP 109           HB3      ASP 109  -1.521  12.396  -5.964
  823    H    SER 110           H        SER 110   0.972  12.520  -4.513
  824    HA   SER 110           HA       SER 110   2.005   9.833  -4.407
  825    HB2  SER 110           HB2      SER 110   3.605  12.401  -4.116
  826    HB3  SER 110           HB3      SER 110   4.146  10.832  -4.713
  827    HG   SER 110           HG       SER 110   2.799  11.100  -6.518
  828    H    HIS 111           H        HIS 111   1.852  12.545  -2.033
  829    HA   HIS 111           HA       HIS 111   3.185  11.237   0.119
  830    HB2  HIS 111           HB2      HIS 111   2.780  13.525   0.448
  831    HB3  HIS 111           HB3      HIS 111   1.119  13.421  -0.074
  832    HD1  HIS 111           HD1      HIS 111   3.185  13.083   3.084
  833    HD2  HIS 111           HD2      HIS 111  -0.764  12.733   1.682
  834    HE1  HIS 111           HE1      HIS 111   1.709  12.891   5.145
  835    H    ILE 112           H        ILE 112  -0.315  11.242  -0.777
  836    HA   ILE 112           HA       ILE 112  -1.193   9.502   1.271
  837    HB   ILE 112           HB       ILE 112  -2.161   9.975  -1.577
  838   HG12  ILE 112          HG12      ILE 112  -2.316  11.889   0.065
  839   HG13  ILE 112          HG13      ILE 112  -3.805  11.410  -0.726
  840   HG21  ILE 112          HG21      ILE 112  -3.523   8.304   0.542
  841   HG22  ILE 112          HG22      ILE 112  -4.325   8.958  -0.912
  842   HG23  ILE 112          HG23      ILE 112  -2.999   7.808  -1.081
  843   HD11  ILE 112          HD13      ILE 112  -4.081  11.980   1.648
  844   HD12  ILE 112          HD11      ILE 112  -4.573  10.313   1.313
  845   HD13  ILE 112          HD12      ILE 112  -3.007  10.639   2.108
  846    H    GLY 113           H        GLY 113  -0.113   8.609  -2.095
  847    HA2  GLY 113           HA2      GLY 113  -0.397   5.836  -1.769
  848    HA3  GLY 113           HA3      GLY 113   0.728   6.632  -2.888
  849    H    ALA 114           H        ALA 114   2.374   7.938  -0.962
  850    HA   ALA 114           HA       ALA 114   4.232   5.852  -0.285
  851    HB1  ALA 114           HB3      ALA 114   5.479   7.776   0.685
  852    HB2  ALA 114           HB1      ALA 114   4.912   8.117  -0.952
  853    HB3  ALA 114           HB2      ALA 114   4.052   8.806   0.423
  854    H    ILE 115           H        ILE 115   2.209   8.023   1.816
  855    HA   ILE 115           HA       ILE 115   2.793   6.979   4.274
  856    HB   ILE 115           HB       ILE 115   0.488   8.251   2.989
  857   HG12  ILE 115          HG12      ILE 115   2.372   9.709   3.659
  858   HG13  ILE 115          HG13      ILE 115   0.861  10.124   4.450
  859   HG21  ILE 115          HG21      ILE 115  -0.695   8.484   5.173
  860   HG22  ILE 115          HG22      ILE 115  -0.764   6.929   4.352
  861   HG23  ILE 115          HG23      ILE 115   0.337   7.126   5.743
  862   HD11  ILE 115          HD13      ILE 115   2.727  10.313   5.978
  863   HD12  ILE 115          HD11      ILE 115   1.592   9.066   6.522
  864   HD13  ILE 115          HD12      ILE 115   3.124   8.607   5.733
  865    H    GLN 116           H        GLN 116   0.301   5.956   1.851
  866    HA   GLN 116           HA       GLN 116  -0.815   3.832   3.392
  867    HB2  GLN 116           HB2      GLN 116  -0.889   4.545   0.442
  868    HB3  GLN 116           HB3      GLN 116  -1.768   3.166   1.095
  869    HG2  GLN 116           HG2      GLN 116  -2.089   6.004   2.131
  870    HG3  GLN 116           HG3      GLN 116  -3.115   5.296   0.888
  871   HE21  GLN 116          HE22      GLN 116  -3.251   6.090   4.044
  872   HE22  GLN 116          HE21      GLN 116  -4.230   4.790   4.670
  873    H    ALA 117           H        ALA 117   2.242   3.946   1.901
  874    HA   ALA 117           HA       ALA 117   2.382   1.024   1.724
  875    HB1  ALA 117           HB3      ALA 117   4.422   3.114   0.817
  876    HB2  ALA 117           HB1      ALA 117   4.566   1.362   0.606
  877    HB3  ALA 117           HB2      ALA 117   3.302   2.261  -0.256
  878    H    LEU 118           H        LEU 118   3.767   3.888   3.393
  879    HA   LEU 118           HA       LEU 118   5.527   2.123   4.836
  880    HB2  LEU 118           HB2      LEU 118   6.224   4.033   6.048
  881    HB3  LEU 118           HB3      LEU 118   6.189   4.283   4.291
  882    HG   LEU 118           HG       LEU 118   4.276   5.641   4.426
  883   HD11  LEU 118          HD11      LEU 118   4.486   5.322   7.459
  884   HD12  LEU 118          HD12      LEU 118   3.664   6.681   6.656
  885   HD13  LEU 118          HD13      LEU 118   3.036   5.105   6.447
  886   HD21  LEU 118          HD23      LEU 118   6.546   6.623   4.533
  887   HD22  LEU 118          HD21      LEU 118   5.479   7.562   5.586
  888   HD23  LEU 118          HD22      LEU 118   6.579   6.396   6.289
  889    H    SER 119           H        SER 119   2.359   3.385   5.442
  890    HA   SER 119           HA       SER 119   2.101   2.558   8.128
  891    HB2  SER 119           HB2      SER 119  -0.386   2.241   7.543
  892    HB3  SER 119           HB3      SER 119   0.340   3.844   7.360
  893    HG   SER 119           HG       SER 119   0.430   3.609   5.199
  894    H    GLU 120           H        GLU 120   2.484   0.469   5.330
  895    HA   GLU 120           HA       GLU 120   1.357  -1.896   6.493
  896    HB2  GLU 120           HB2      GLU 120   3.590  -1.630   4.460
  897    HB3  GLU 120           HB3      GLU 120   2.723  -3.107   4.830
  898    HG2  GLU 120           HG2      GLU 120   1.314  -0.622   3.800
  899    HG3  GLU 120           HG3      GLU 120   1.992  -1.834   2.721
  900    H    LEU 121           H        LEU 121   4.153  -0.001   7.027
  901    HA   LEU 121           HA       LEU 121   5.541  -2.104   8.632
  902    HB2  LEU 121           HB2      LEU 121   6.591   0.582   7.652
  903    HB3  LEU 121           HB3      LEU 121   7.513  -0.664   8.470
  904    HG   LEU 121           HG       LEU 121   6.355  -0.693   5.658
  905   HD11  LEU 121          HD11      LEU 121   8.732  -0.916   5.013
  906   HD12  LEU 121          HD12      LEU 121   8.446   0.548   5.967
  907   HD13  LEU 121          HD13      LEU 121   9.208  -0.870   6.722
  908   HD21  LEU 121          HD23      LEU 121   7.395  -2.943   5.351
  909   HD22  LEU 121          HD21      LEU 121   7.811  -3.000   7.070
  910   HD23  LEU 121          HD22      LEU 121   6.110  -3.011   6.556
  911    H    LEU 122           H        LEU 122   5.069   1.470   8.825
  912    HA   LEU 122           HA       LEU 122   5.502   1.804  11.566
  913    HB2  LEU 122           HB2      LEU 122   3.882   3.322   9.472
  914    HB3  LEU 122           HB3      LEU 122   3.937   3.847  11.129
  915    HG   LEU 122           HG       LEU 122   5.455   5.102   9.703
  916   HD11  LEU 122          HD11      LEU 122   7.356   5.134  11.180
  917   HD12  LEU 122          HD12      LEU 122   5.914   4.808  12.152
  918   HD13  LEU 122          HD13      LEU 122   7.025   3.484  11.738
  919   HD21  LEU 122          HD23      LEU 122   7.157   2.590   9.472
  920   HD22  LEU 122          HD21      LEU 122   6.148   3.273   8.172
  921   HD23  LEU 122          HD22      LEU 122   7.465   4.212   8.828
  922    H    CYS 123           H        CYS 123   2.537   0.559  10.114
  923    HA   CYS 123           HA       CYS 123   1.212   0.920  12.756
  924    HB2  CYS 123           HB2      CYS 123  -0.168   0.581  10.068
  925    HB3  CYS 123           HB3      CYS 123  -0.913   0.964  11.618
  926    HG   CYS 123           HG       CYS 123   0.291   3.258  11.981
  927    H    GLU 124           H        GLU 124   3.111  -1.153  12.008
  928    HA   GLU 124           HA       GLU 124   1.370  -3.447  12.662
  929    HB2  GLU 124           HB2      GLU 124   3.496  -3.406  10.503
  930    HB3  GLU 124           HB3      GLU 124   2.976  -4.898  11.288
  931    HG2  GLU 124           HG2      GLU 124   1.159  -2.965   9.818
  932    HG3  GLU 124           HG3      GLU 124   1.806  -4.470   9.152
  933    H    GLU 125           H        GLU 125   1.813  -3.651  14.674
  934    HA   GLU 125           HA       GLU 125   4.222  -2.968  15.955
  935    HB2  GLU 125           HB2      GLU 125   3.368  -4.100  17.909
  936    HB3  GLU 125           HB3      GLU 125   2.098  -3.167  17.119
  937    HG2  GLU 125           HG2      GLU 125   1.234  -5.282  16.074
  938    HG3  GLU 125           HG3      GLU 125   2.469  -6.191  16.948
  939    H    GLU 126           H        GLU 126   3.362  -5.908  14.261
  940    HA   GLU 126           HA       GLU 126   5.386  -7.647  15.217
  941    HB2  GLU 126           HB2      GLU 126   4.072  -7.445  12.476
  942    HB3  GLU 126           HB3      GLU 126   5.075  -8.797  13.002
  943    HG2  GLU 126           HG2      GLU 126   2.501  -7.902  14.344
  944    HG3  GLU 126           HG3      GLU 126   2.615  -9.198  13.155
  945    H    ILE 127           H        ILE 127   5.293  -5.245  12.588
  946    HA   ILE 127           HA       ILE 127   7.993  -5.724  11.682
  947    HB   ILE 127           HB       ILE 127   5.882  -3.700  11.095
  948   HG12  ILE 127          HG12      ILE 127   6.068  -4.500   8.844
  949   HG13  ILE 127          HG13      ILE 127   7.515  -5.442   9.224
  950   HG21  ILE 127          HG21      ILE 127   7.546  -2.722   9.412
  951   HG22  ILE 127          HG22      ILE 127   7.762  -2.262  11.102
  952   HG23  ILE 127          HG23      ILE 127   8.807  -3.504  10.369
  953   HD11  ILE 127          HD13      ILE 127   4.736  -6.053  10.288
  954   HD12  ILE 127          HD11      ILE 127   5.483  -6.813   8.871
  955   HD13  ILE 127          HD12      ILE 127   6.200  -7.058  10.468
  956    H    LEU 128           H        LEU 128   6.426  -3.179  13.779
  957    HA   LEU 128           HA       LEU 128   8.625  -1.661  14.241
  958    HB2  LEU 128           HB2      LEU 128   6.282  -2.365  16.020
  959    HB3  LEU 128           HB3      LEU 128   7.625  -1.451  16.682
  960    HG   LEU 128           HG       LEU 128   7.423   0.181  14.821
  961   HD11  LEU 128          HD11      LEU 128   5.375   0.456  13.604
  962   HD12  LEU 128          HD12      LEU 128   6.087  -1.099  13.195
  963   HD13  LEU 128          HD13      LEU 128   4.697  -1.021  14.308
  964   HD21  LEU 128          HD23      LEU 128   5.528   1.386  15.869
  965   HD22  LEU 128          HD21      LEU 128   4.965  -0.125  16.618
  966   HD23  LEU 128          HD22      LEU 128   6.509   0.593  17.113
  967    H    GLU 129           H        GLU 129   7.979  -4.707  16.006
  968    HA   GLU 129           HA       GLU 129  10.239  -4.260  17.691
  969    HB2  GLU 129           HB2      GLU 129   9.759  -6.156  18.804
  970    HB3  GLU 129           HB3      GLU 129   8.175  -5.761  18.152
  971    HG2  GLU 129           HG2      GLU 129   8.597  -7.442  16.313
  972    HG3  GLU 129           HG3      GLU 129  10.140  -7.841  17.086
  973    H    GLN 130           H        GLN 130   9.832  -5.766  14.488
  974    HA   GLN 130           HA       GLN 130  12.352  -7.177  14.592
  975    HB2  GLN 130           HB2      GLN 130  10.305  -6.605  12.424
  976    HB3  GLN 130           HB3      GLN 130  11.823  -7.475  12.116
  977    HG2  GLN 130           HG2      GLN 130  11.286  -9.181  13.731
  978    HG3  GLN 130           HG3      GLN 130   9.805  -8.343  14.209
  979   HE21  GLN 130          HE22      GLN 130   7.997  -8.340  12.791
  980   HE22  GLN 130          HE21      GLN 130   7.855  -9.496  11.472
  981    H    LEU 131           H        LEU 131  11.137  -4.019  13.441
  982    HA   LEU 131           HA       LEU 131  13.639  -3.128  12.286
  983    HB2  LEU 131           HB2      LEU 131  11.489  -1.525  13.712
  984    HB3  LEU 131           HB3      LEU 131  12.794  -0.861  12.734
  985    HG   LEU 131           HG       LEU 131  10.591  -2.641  11.610
  986   HD11  LEU 131          HD11      LEU 131   9.490  -0.554  10.952
  987   HD12  LEU 131          HD12      LEU 131   9.731  -0.609  12.717
  988   HD13  LEU 131          HD13      LEU 131  10.791   0.393  11.713
  989   HD21  LEU 131          HD23      LEU 131  12.600  -2.517  10.198
  990   HD22  LEU 131          HD21      LEU 131  11.248  -1.640   9.457
  991   HD23  LEU 131          HD22      LEU 131  12.546  -0.746  10.268
  992    H    LEU 132           H        LEU 132  12.063  -2.610  15.489
  993    HA   LEU 132           HA       LEU 132  14.150  -1.166  16.652
  994    HB2  LEU 132           HB2      LEU 132  12.071  -2.989  17.882
  995    HB3  LEU 132           HB3      LEU 132  13.256  -2.193  18.900
  996    HG   LEU 132           HG       LEU 132  11.434  -0.641  17.028
  997   HD11  LEU 132          HD11      LEU 132  10.078  -0.126  19.018
  998   HD12  LEU 132          HD12      LEU 132  10.071  -1.858  18.665
  999   HD13  LEU 132          HD13      LEU 132  11.073  -1.233  19.994
 1000   HD21  LEU 132          HD23      LEU 132  12.029   1.270  18.489
 1001   HD22  LEU 132          HD21      LEU 132  13.115   0.224  19.427
 1002   HD23  LEU 132          HD22      LEU 132  13.470   0.596  17.727
 1003    H    THR 133           H        THR 133  13.964  -4.681  16.355
 1004    HA   THR 133           HA       THR 133  16.327  -5.065  18.042
 1005    HB   THR 133           HB       THR 133  15.905  -7.487  17.488
 1006    HG1  THR 133           HG1      THR 133  13.456  -6.558  16.450
 1007   HG21  THR 133          HG23      THR 133  13.585  -5.879  18.659
 1008   HG22  THR 133          HG21      THR 133  13.768  -7.636  18.787
 1009   HG23  THR 133          HG22      THR 133  14.968  -6.562  19.534
 1010    H    ALA 134           H        ALA 134  16.055  -3.976  14.888
 1011    HA   ALA 134           HA       ALA 134  17.912  -5.555  13.473
 1012    HB1  ALA 134           HB3      ALA 134  18.154  -3.629  11.996
 1013    HB2  ALA 134           HB1      ALA 134  16.442  -3.848  12.407
 1014    HB3  ALA 134           HB2      ALA 134  17.400  -2.560  13.185
 1015    H    SER 135           H        SER 135  20.038  -5.601  13.374
 1016    HA   SER 135           HA       SER 135  21.679  -3.705  14.993
 1017    HB2  SER 135           HB2      SER 135  22.181  -6.673  14.536
 1018    HB3  SER 135           HB3      SER 135  23.164  -5.569  15.511
 1019    HG   SER 135           HG       SER 135  20.447  -6.293  15.986
 1020    H    SER 136           H        SER 136  20.802  -4.213  11.914
 1021    HA   SER 136           HA       SER 136  23.316  -3.179  10.883
 1022    HB2  SER 136           HB2      SER 136  23.421  -4.859   9.055
 1023    HB3  SER 136           HB3      SER 136  23.688  -5.589  10.643
 1024    HG   SER 136           HG       SER 136  22.267  -6.883   9.561
 1025    H    GLU 137           H        GLU 137  22.984  -2.080   8.884
 1026    HA   GLU 137           HA       GLU 137  20.345  -1.070   8.325
 1027    HB2  GLU 137           HB2      GLU 137  22.943  -1.095   6.729
 1028    HB3  GLU 137           HB3      GLU 137  21.473  -0.214   6.218
 1029    HG2  GLU 137           HG2      GLU 137  21.458   1.177   8.019
 1030    HG3  GLU 137           HG3      GLU 137  22.696   0.275   8.909
 1031    H    LYS 138           H        LYS 138  22.224  -3.864   7.174
 1032    HA   LYS 138           HA       LYS 138  20.591  -4.577   5.010
 1033    HB2  LYS 138           HB2      LYS 138  22.807  -5.578   5.470
 1034    HB3  LYS 138           HB3      LYS 138  22.168  -6.355   6.919
 1035    HG2  LYS 138           HG2      LYS 138  22.387  -7.950   5.108
 1036    HG3  LYS 138           HG3      LYS 138  20.692  -7.774   5.554
 1037    HD2  LYS 138           HD2      LYS 138  20.310  -6.304   3.592
 1038    HD3  LYS 138           HD3      LYS 138  22.016  -6.424   3.146
 1039    HE2  LYS 138           HE2      LYS 138  20.061  -8.767   3.332
 1040    HE3  LYS 138           HE3      LYS 138  20.450  -7.905   1.842
 1041    HZ1  LYS 138           HZ3      LYS 138  22.396  -9.445   3.458
 1042    HZ2  LYS 138           HZ1      LYS 138  21.756  -9.903   2.035
 1043    HZ3  LYS 138           HZ2      LYS 138  22.754  -8.619   2.090
 1044    H    GLN 139           H        GLN 139  20.081  -5.332   8.540
 1045    HA   GLN 139           HA       GLN 139  17.900  -7.050   7.983
 1046    HB2  GLN 139           HB2      GLN 139  19.347  -7.306   9.883
 1047    HB3  GLN 139           HB3      GLN 139  19.122  -5.624  10.370
 1048    HG2  GLN 139           HG2      GLN 139  17.965  -7.007  11.829
 1049    HG3  GLN 139           HG3      GLN 139  16.822  -6.036  10.896
 1050   HE21  GLN 139          HE22      GLN 139  15.538  -7.209   9.172
 1051   HE22  GLN 139          HE21      GLN 139  15.336  -8.946   9.272
 1052    H    LEU 140           H        LEU 140  18.240  -3.504   8.497
 1053    HA   LEU 140           HA       LEU 140  15.380  -3.073   8.852
 1054    HB2  LEU 140           HB2      LEU 140  17.738  -1.326   8.134
 1055    HB3  LEU 140           HB3      LEU 140  16.099  -0.690   8.085
 1056    HG   LEU 140           HG       LEU 140  17.381  -1.922  10.542
 1057   HD11  LEU 140          HD11      LEU 140  16.978   1.034   9.927
 1058   HD12  LEU 140          HD12      LEU 140  17.742   0.312  11.356
 1059   HD13  LEU 140          HD13      LEU 140  18.520   0.172   9.778
 1060   HD21  LEU 140          HD23      LEU 140  14.853  -0.276  10.315
 1061   HD22  LEU 140          HD21      LEU 140  14.943  -2.017  10.675
 1062   HD23  LEU 140          HD22      LEU 140  15.598  -0.852  11.817
 1063    H    ALA 141           H        ALA 141  17.645  -2.680   6.075
 1064    HA   ALA 141           HA       ALA 141  15.777  -2.304   4.045
 1065    HB1  ALA 141           HB3      ALA 141  18.237  -2.049   3.816
 1066    HB2  ALA 141           HB1      ALA 141  18.415  -3.817   3.876
 1067    HB3  ALA 141           HB2      ALA 141  17.539  -3.056   2.531
 1068    H    ASP 142           H        ASP 142  16.754  -5.452   5.530
 1069    HA   ASP 142           HA       ASP 142  15.397  -7.118   3.698
 1070    HB2  ASP 142           HB2      ASP 142  16.829  -8.122   5.341
 1071    HB3  ASP 142           HB3      ASP 142  15.901  -7.433   6.671
 1072    H    ILE 143           H        ILE 143  14.139  -5.420   6.650
 1073    HA   ILE 143           HA       ILE 143  11.515  -6.475   6.439
 1074    HB   ILE 143           HB       ILE 143  12.764  -4.125   7.888
 1075   HG12  ILE 143          HG12      ILE 143  11.714  -6.814   8.905
 1076   HG13  ILE 143          HG13      ILE 143  13.404  -6.522   8.514
 1077   HG21  ILE 143          HG21      ILE 143  10.431  -3.578   7.565
 1078   HG22  ILE 143          HG22      ILE 143   9.933  -5.199   8.117
 1079   HG23  ILE 143          HG23      ILE 143  10.694  -4.048   9.242
 1080   HD11  ILE 143          HD13      ILE 143  13.437  -4.685  10.243
 1081   HD12  ILE 143          HD11      ILE 143  11.824  -5.257  10.773
 1082   HD13  ILE 143          HD12      ILE 143  13.228  -6.331  10.846
 1083    H    ILE 144           H        ILE 144  13.087  -3.554   5.125
 1084    HA   ILE 144           HA       ILE 144  10.800  -2.425   3.837
 1085    HB   ILE 144           HB       ILE 144  13.715  -2.491   2.941
 1086   HG12  ILE 144          HG12      ILE 144  13.506  -1.291   5.017
 1087   HG13  ILE 144          HG13      ILE 144  13.828  -0.174   3.702
 1088   HG21  ILE 144          HG21      ILE 144  13.176  -0.541   1.488
 1089   HG22  ILE 144          HG22      ILE 144  12.517  -2.076   0.936
 1090   HG23  ILE 144          HG23      ILE 144  11.451  -0.899   1.718
 1091   HD11  ILE 144          HD13      ILE 144  12.185   0.873   4.985
 1092   HD12  ILE 144          HD11      ILE 144  11.280   0.214   3.614
 1093   HD13  ILE 144          HD12      ILE 144  11.233  -0.620   5.180
 1094    H    SER 145           H        SER 145  13.073  -4.940   2.726
 1095    HA   SER 145           HA       SER 145  12.002  -4.999   0.137
 1096    HB2  SER 145           HB2      SER 145  13.607  -7.151   1.592
 1097    HB3  SER 145           HB3      SER 145  13.385  -7.037  -0.161
 1098    HG   SER 145           HG       SER 145  14.711  -5.191   1.560
 1099    H    ARG 146           H        ARG 146  10.915  -6.747   3.025
 1100    HA   ARG 146           HA       ARG 146   9.416  -8.762   1.681
 1101    HB2  ARG 146           HB2      ARG 146   8.371  -7.579   4.246
 1102    HB3  ARG 146           HB3      ARG 146   8.441  -9.268   3.732
 1103    HG2  ARG 146           HG2      ARG 146  10.954  -9.135   4.117
 1104    HG3  ARG 146           HG3      ARG 146  10.639  -7.481   4.731
 1105    HD2  ARG 146           HD2      ARG 146   9.245  -8.300   6.503
 1106    HD3  ARG 146           HD3      ARG 146   9.388  -9.974   5.907
 1107    HE   ARG 146           HE       ARG 146  12.018  -9.067   6.335
 1108   HH11  ARG 146          HH11      ARG 146   9.137  -9.711   8.336
 1109   HH12  ARG 146          HH12      ARG 146  10.075 -10.042   9.764
 1110   HH21  ARG 146          HH21      ARG 146  13.171  -9.567   8.079
 1111   HH22  ARG 146          HH22      ARG 146  12.448 -10.015   9.625
 1112    H    GLY 147           H        GLY 147   8.827  -5.390   2.433
 1113    HA2  GLY 147           HA2      GLY 147   6.038  -5.410   2.621
 1114    HA3  GLY 147           HA3      GLY 147   7.077  -4.008   2.315
  Start of MODEL    5
    1    H    MET   1           H1       MET   1   2.028  -1.418  -0.028
    2    HA   MET   1           HA       MET   1   2.052  -1.454  -2.993
    3    HB2  MET   1           HB2      MET   1   1.935   0.870  -1.433
    4    HB3  MET   1           HB3      MET   1   3.674   0.670  -1.702
    5    HG2  MET   1           HG2      MET   1   2.672   2.038  -3.453
    6    HG3  MET   1           HG3      MET   1   3.329   0.550  -4.117
    7    HE1  MET   1           HE3      MET   1   0.236   2.799  -3.539
    8    HE2  MET   1           HE1      MET   1  -1.146   1.726  -3.846
    9    HE3  MET   1           HE2      MET   1  -0.178   1.521  -2.373
   10    H    ARG   2           H        ARG   2   4.320  -1.272  -3.910
   11    HA   ARG   2           HA       ARG   2   6.155  -3.159  -2.649
   12    HB2  ARG   2           HB2      ARG   2   6.323  -1.206  -4.987
   13    HB3  ARG   2           HB3      ARG   2   7.747  -2.047  -4.377
   14    HG2  ARG   2           HG2      ARG   2   6.958  -3.237  -6.286
   15    HG3  ARG   2           HG3      ARG   2   6.692  -4.225  -4.848
   16    HD2  ARG   2           HD2      ARG   2   4.789  -4.380  -6.347
   17    HD3  ARG   2           HD3      ARG   2   4.334  -3.594  -4.828
   18    HE   ARG   2           HE       ARG   2   5.086  -1.787  -7.018
   19   HH11  ARG   2          HH21      ARG   2   2.357  -3.564  -5.611
   20   HH12  ARG   2          HH22      ARG   2   1.161  -2.456  -6.170
   21   HH21  ARG   2          HH12      ARG   2   3.491  -0.317  -7.785
   22   HH22  ARG   2          HH11      ARG   2   1.824  -0.580  -7.449
   23    H    LEU   3           H        LEU   3   6.992  -2.506  -0.689
   24    HA   LEU   3           HA       LEU   3   7.291   0.282   0.071
   25    HB2  LEU   3           HB2      LEU   3   8.261  -2.357   1.156
   26    HB3  LEU   3           HB3      LEU   3   9.107  -0.900   1.657
   27    HG   LEU   3           HG       LEU   3   7.357  -1.666   3.238
   28   HD11  LEU   3          HD11      LEU   3   8.184   0.650   3.216
   29   HD12  LEU   3          HD12      LEU   3   6.885   1.120   2.090
   30   HD13  LEU   3          HD13      LEU   3   6.504   0.542   3.725
   31   HD21  LEU   3          HD23      LEU   3   5.333  -0.711   1.174
   32   HD22  LEU   3          HD21      LEU   3   5.632  -2.398   1.590
   33   HD23  LEU   3          HD22      LEU   3   5.006  -1.294   2.813
   34    H    SER   4           H        SER   4   9.518  -2.204  -1.282
   35    HA   SER   4           HA       SER   4  11.834  -0.762  -1.296
   36    HB2  SER   4           HB2      SER   4  11.091  -2.539  -3.627
   37    HB3  SER   4           HB3      SER   4  12.631  -2.430  -2.750
   38    HG   SER   4           HG       SER   4  11.345  -4.322  -2.307
   39    H    ASP   5           H        ASP   5   9.034  -0.149  -3.408
   40    HA   ASP   5           HA       ASP   5  10.402   1.216  -5.496
   41    HB2  ASP   5           HB2      ASP   5   8.047   0.431  -5.608
   42    HB3  ASP   5           HB3      ASP   5   7.590   1.663  -4.425
   43    H    TYR   6           H        TYR   6   9.725   2.143  -2.185
   44    HA   TYR   6           HA       TYR   6   9.981   5.027  -2.814
   45    HB2  TYR   6           HB2      TYR   6   8.904   3.538  -0.410
   46    HB3  TYR   6           HB3      TYR   6   9.062   5.289  -0.471
   47    HD1  TYR   6           HD1      TYR   6   7.695   6.695  -1.891
   48    HD2  TYR   6           HD2      TYR   6   7.009   2.429  -1.601
   49    HE1  TYR   6           HE1      TYR   6   5.505   6.963  -3.025
   50    HE2  TYR   6           HE2      TYR   6   4.825   2.708  -2.684
   51    HH   TYR   6           HH       TYR   6   3.308   4.207  -3.675
   52    H    PHE   7           H        PHE   7  12.147   2.572  -1.606
   53    HA   PHE   7           HA       PHE   7  13.557   4.652   0.050
   54    HB2  PHE   7           HB2      PHE   7  13.519   1.655   0.426
   55    HB3  PHE   7           HB3      PHE   7  14.569   2.771   1.282
   56    HD1  PHE   7           HD1      PHE   7  10.961   2.052   0.633
   57    HD2  PHE   7           HD2      PHE   7  13.828   3.583   3.455
   58    HE1  PHE   7           HE1      PHE   7   9.136   2.501   2.227
   59    HE2  PHE   7           HE2      PHE   7  11.972   4.091   5.020
   60    HZ   PHE   7           HZ       PHE   7   9.636   3.563   4.423
   61    HA   PRO   8           HA       PRO   8  15.784   4.381  -3.900
   62    HB2  PRO   8           HB2      PRO   8  17.512   6.379  -2.431
   63    HB3  PRO   8           HB3      PRO   8  17.028   6.347  -4.150
   64    HG2  PRO   8           HG2      PRO   8  15.702   7.875  -2.313
   65    HG3  PRO   8           HG3      PRO   8  14.822   7.018  -3.618
   66    HD2  PRO   8           HD2      PRO   8  14.942   6.338  -0.727
   67    HD3  PRO   8           HD3      PRO   8  13.690   6.036  -1.957
   68    H    GLU   9           H        GLU   9  18.243   4.820  -1.344
   69    HA   GLU   9           HA       GLU   9  19.435   2.202  -1.732
   70    HB2  GLU   9           HB2      GLU   9  20.090   3.373  -3.870
   71    HB3  GLU   9           HB3      GLU   9  20.826   4.640  -2.905
   72    HG2  GLU   9           HG2      GLU   9  22.602   3.203  -3.587
   73    HG3  GLU   9           HG3      GLU   9  22.335   2.847  -1.883
   74    H    SER  10           H        SER  10  21.064   5.289  -1.092
   75    HA   SER  10           HA       SER  10  22.204   4.459   1.347
   76    HB2  SER  10           HB2      SER  10  21.661   7.354   0.650
   77    HB3  SER  10           HB3      SER  10  23.102   6.653   1.395
   78    HG   SER  10           HG       SER  10  23.641   5.767  -0.629
   79    H    SER  11           H        SER  11  19.083   4.611   0.923
   80    HA   SER  11           HA       SER  11  18.015   6.629   2.654
   81    HB2  SER  11           HB2      SER  11  16.681   4.219   1.384
   82    HB3  SER  11           HB3      SER  11  15.950   5.785   1.779
   83    HG   SER  11           HG       SER  11  17.183   6.734   0.167
   84    H    ILE  12           H        ILE  12  19.575   3.803   3.604
   85    HA   ILE  12           HA       ILE  12  17.713   3.327   5.861
   86    HB   ILE  12           HB       ILE  12  19.219   1.378   4.091
   87   HG12  ILE  12          HG12      ILE  12  16.301   2.193   4.411
   88   HG13  ILE  12          HG13      ILE  12  17.271   2.108   2.942
   89   HG21  ILE  12          HG21      ILE  12  18.303  -0.343   5.604
   90   HG22  ILE  12          HG22      ILE  12  19.316   0.797   6.481
   91   HG23  ILE  12          HG23      ILE  12  17.549   0.942   6.596
   92   HD11  ILE  12          HD13      ILE  12  17.324  -0.377   3.205
   93   HD12  ILE  12          HD11      ILE  12  16.153  -0.171   4.549
   94   HD13  ILE  12          HD12      ILE  12  15.723   0.326   2.896
   95    H    SER  13           H        SER  13  18.822   3.559   7.826
   96    HA   SER  13           HA       SER  13  21.700   3.003   7.878
   97    HB2  SER  13           HB2      SER  13  22.111   5.255   8.994
   98    HB3  SER  13           HB3      SER  13  21.768   5.315   7.261
   99    HG   SER  13           HG       SER  13  20.581   6.892   8.342
  100    H    VAL  14           H        VAL  14  22.576   2.863   9.954
  101    HA   VAL  14           HA       VAL  14  20.745   2.805  12.254
  102    HB   VAL  14           HB       VAL  14  22.863   0.708  11.609
  103   HG11  VAL  14          HG11      VAL  14  22.819   1.217  14.029
  104   HG12  VAL  14          HG12      VAL  14  21.053   1.021  14.058
  105   HG13  VAL  14          HG13      VAL  14  22.109  -0.371  13.731
  106   HG21  VAL  14          HG23      VAL  14  20.938  -0.900  11.724
  107   HG22  VAL  14          HG21      VAL  14  19.834   0.475  11.846
  108   HG23  VAL  14          HG22      VAL  14  20.795   0.229  10.373
  109    H    ILE  15           H        ILE  15  21.691   3.914  13.914
  110    HA   ILE  15           HA       ILE  15  24.401   5.103  13.517
  111    HB   ILE  15           HB       ILE  15  21.689   6.370  14.103
  112   HG12  ILE  15          HG12      ILE  15  23.551   6.685  11.724
  113   HG13  ILE  15          HG13      ILE  15  21.901   6.041  11.741
  114   HG21  ILE  15          HG21      ILE  15  24.378   7.786  14.066
  115   HG22  ILE  15          HG22      ILE  15  22.774   8.525  14.358
  116   HG23  ILE  15          HG23      ILE  15  23.382   7.393  15.491
  117   HD11  ILE  15          HD13      ILE  15  21.752   8.281  10.892
  118   HD12  ILE  15          HD11      ILE  15  21.128   8.338  12.562
  119   HD13  ILE  15          HD12      ILE  15  22.757   8.927  12.207
  120    H    HIS  16           H        HIS  16  25.467   5.538  15.542
  121    HA   HIS  16           HA       HIS  16  24.671   3.986  17.810
  122    HB2  HIS  16           HB2      HIS  16  27.000   4.646  17.381
  123    HB3  HIS  16           HB3      HIS  16  26.585   6.348  17.606
  124    HD1  HIS  16           HD1      HIS  16  26.034   7.115  20.181
  125    HD2  HIS  16           HD2      HIS  16  27.293   3.135  19.587
  126    HE1  HIS  16           HE1      HIS  16  26.642   6.200  22.483
  127    H    SER  17           H        SER  17  24.259   7.504  17.022
  128    HA   SER  17           HA       SER  17  22.073   7.854  18.847
  129    HB2  SER  17           HB2      SER  17  23.422   9.676  20.144
  130    HB3  SER  17           HB3      SER  17  23.554   7.995  20.646
  131    HG   SER  17           HG       SER  17  25.439   9.459  19.118
  132    H    ALA  18           H        ALA  18  21.166  10.068  18.360
  133    HA   ALA  18           HA       ALA  18  22.361  11.315  15.935
  134    HB1  ALA  18           HB3      ALA  18  19.900  11.160  15.936
  135    HB2  ALA  18           HB1      ALA  18  19.825  12.102  17.437
  136    HB3  ALA  18           HB2      ALA  18  20.454  12.839  15.967
  137    H    LYS  19           H        LYS  19  23.208  13.440  16.042
  138    HA   LYS  19           HA       LYS  19  24.695  14.103  18.365
  139    HB2  LYS  19           HB2      LYS  19  25.315  14.662  16.084
  140    HB3  LYS  19           HB3      LYS  19  23.944  15.725  15.919
  141    HG2  LYS  19           HG2      LYS  19  25.930  16.250  18.140
  142    HG3  LYS  19           HG3      LYS  19  26.390  16.645  16.488
  143    HD2  LYS  19           HD2      LYS  19  23.839  17.686  17.770
  144    HD3  LYS  19           HD3      LYS  19  25.377  18.548  17.828
  145    HE2  LYS  19           HE2      LYS  19  25.462  18.799  15.440
  146    HE3  LYS  19           HE3      LYS  19  24.133  17.663  15.195
  147    HZ1  LYS  19           HZ3      LYS  19  23.836  20.291  16.516
  148    HZ2  LYS  19           HZ1      LYS  19  23.406  19.953  14.978
  149    HZ3  LYS  19           HZ2      LYS  19  22.625  19.214  16.212
  150    H    ASP  20           H        ASP  20  21.544  15.283  17.230
  151    HA   ASP  20           HA       ASP  20  20.534  15.825  19.827
  152    HB2  ASP  20           HB2      ASP  20  20.263  18.069  19.912
  153    HB3  ASP  20           HB3      ASP  20  21.951  17.981  19.396
  154    H    TRP  21           H        TRP  21  18.369  17.128  19.402
  155    HA   TRP  21           HA       TRP  21  16.877  15.403  17.756
  156    HB2  TRP  21           HB2      TRP  21  15.138  17.402  18.414
  157    HB3  TRP  21           HB3      TRP  21  15.555  16.034  19.439
  158    HD1  TRP  21           HD1      TRP  21  16.426  19.672  18.908
  159    HE1  TRP  21           HE1      TRP  21  17.366  20.744  21.034
  160    HE3  TRP  21           HE3      TRP  21  16.805  15.474  21.744
  161    HZ2  TRP  21           HZ2      TRP  21  18.267  19.833  23.641
  162    HZ3  TRP  21           HZ3      TRP  21  17.797  15.568  24.012
  163    HH2  TRP  21           HH2      TRP  21  18.522  17.742  24.976
  164    H    GLN  22           H        GLN  22  18.263  18.644  17.050
  165    HA   GLN  22           HA       GLN  22  16.828  19.089  14.539
  166    HB2  GLN  22           HB2      GLN  22  19.590  19.958  15.453
  167    HB3  GLN  22           HB3      GLN  22  18.782  20.500  13.995
  168    HG2  GLN  22           HG2      GLN  22  17.086  21.654  15.178
  169    HG3  GLN  22           HG3      GLN  22  17.462  20.858  16.710
  170   HE21  GLN  22          HE22      GLN  22  19.718  21.206  17.570
  171   HE22  GLN  22          HE21      GLN  22  20.368  22.846  17.458
  172    H    GLU  23           H        GLU  23  20.026  17.549  15.433
  173    HA   GLU  23           HA       GLU  23  20.666  16.688  12.836
  174    HB2  GLU  23           HB2      GLU  23  22.083  16.637  15.036
  175    HB3  GLU  23           HB3      GLU  23  21.301  15.071  15.310
  176    HG2  GLU  23           HG2      GLU  23  23.206  14.372  14.221
  177    HG3  GLU  23           HG3      GLU  23  22.142  14.516  12.855
  178    H    ALA  24           H        ALA  24  18.636  15.136  15.300
  179    HA   ALA  24           HA       ALA  24  18.448  12.601  14.068
  180    HB1  ALA  24           HB3      ALA  24  16.565  12.259  15.564
  181    HB2  ALA  24           HB1      ALA  24  17.813  13.219  16.404
  182    HB3  ALA  24           HB2      ALA  24  16.354  14.011  15.774
  183    H    ILE  25           H        ILE  25  16.648  15.629  13.438
  184    HA   ILE  25           HA       ILE  25  14.857  14.412  11.489
  185    HB   ILE  25           HB       ILE  25  15.690  17.323  11.706
  186   HG12  ILE  25          HG12      ILE  25  14.279  15.865  13.696
  187   HG13  ILE  25          HG13      ILE  25  14.623  17.581  13.611
  188   HG21  ILE  25          HG21      ILE  25  13.609  17.763  10.484
  189   HG22  ILE  25          HG22      ILE  25  14.623  16.668   9.581
  190   HG23  ILE  25          HG23      ILE  25  13.233  16.021  10.452
  191   HD11  ILE  25          HD13      ILE  25  12.466  17.924  12.439
  192   HD12  ILE  25          HD11      ILE  25  12.158  16.167  12.551
  193   HD13  ILE  25          HD12      ILE  25  12.274  17.150  14.019
  194    H    ASP  26           H        ASP  26  17.964  16.260  11.368
  195    HA   ASP  26           HA       ASP  26  18.244  16.313   8.564
  196    HB2  ASP  26           HB2      ASP  26  19.720  17.573  10.059
  197    HB3  ASP  26           HB3      ASP  26  20.442  16.073  10.646
  198    H    PHE  27           H        PHE  27  19.310  13.742  10.863
  199    HA   PHE  27           HA       PHE  27  20.253  11.993   8.816
  200    HB2  PHE  27           HB2      PHE  27  19.508  11.659  11.731
  201    HB3  PHE  27           HB3      PHE  27  19.814  10.252  10.730
  202    HD1  PHE  27           HD2      PHE  27  21.993  10.569   9.100
  203    HD2  PHE  27           HD1      PHE  27  21.493  12.292  13.049
  204    HE1  PHE  27           HE2      PHE  27  24.446  10.651   9.390
  205    HE2  PHE  27           HE1      PHE  27  23.937  12.303  13.327
  206    HZ   PHE  27           HZ       PHE  27  25.426  11.508  11.510
  207    H    SER  28           H        SER  28  16.953  12.526  10.134
  208    HA   SER  28           HA       SER  28  15.765  10.231   8.876
  209    HB2  SER  28           HB2      SER  28  14.431  12.918   9.513
  210    HB3  SER  28           HB3      SER  28  13.625  11.404   9.189
  211    HG   SER  28           HG       SER  28  15.412  11.921  11.368
  212    H    MET  29           H        MET  29  16.947  13.278   7.566
  213    HA   MET  29           HA       MET  29  15.380  12.830   5.067
  214    HB2  MET  29           HB2      MET  29  16.597  15.334   6.233
  215    HB3  MET  29           HB3      MET  29  15.475  15.215   4.869
  216    HG2  MET  29           HG2      MET  29  14.496  14.330   7.564
  217    HG3  MET  29           HG3      MET  29  14.722  16.038   7.241
  218    HE1  MET  29           HE3      MET  29  12.661  12.988   6.840
  219    HE2  MET  29           HE1      MET  29  11.562  13.298   5.473
  220    HE3  MET  29           HE2      MET  29  13.291  12.942   5.170
  221    H    VAL  30           H        VAL  30  18.753  13.235   6.179
  222    HA   VAL  30           HA       VAL  30  19.706  14.542   3.964
  223    HB   VAL  30           HB       VAL  30  20.981  14.235   6.013
  224   HG11  VAL  30          HG11      VAL  30  22.231  12.208   6.527
  225   HG12  VAL  30          HG12      VAL  30  20.508  11.817   6.455
  226   HG13  VAL  30          HG13      VAL  30  21.575  11.383   5.101
  227   HG21  VAL  30          HG23      VAL  30  22.514  13.199   3.591
  228   HG22  VAL  30          HG21      VAL  30  22.126  14.896   3.917
  229   HG23  VAL  30          HG22      VAL  30  23.195  14.008   5.021
  230    H    SER  31           H        SER  31  19.228  10.970   4.210
  231    HA   SER  31           HA       SER  31  20.545  10.404   1.790
  232    HB2  SER  31           HB2      SER  31  18.215   8.914   3.052
  233    HB3  SER  31           HB3      SER  31  19.414   8.265   1.914
  234    HG   SER  31           HG       SER  31  20.362   7.738   3.716
  235    H    LEU  32           H        LEU  32  17.457  11.935   2.304
  236    HA   LEU  32           HA       LEU  32  16.574  11.498  -0.492
  237    HB2  LEU  32           HB2      LEU  32  15.381  12.994   1.892
  238    HB3  LEU  32           HB3      LEU  32  14.678  13.065   0.300
  239    HG   LEU  32           HG       LEU  32  15.119  10.468   1.820
  240   HD11  LEU  32          HD11      LEU  32  13.555  11.888   3.054
  241   HD12  LEU  32          HD12      LEU  32  12.585  12.135   1.585
  242   HD13  LEU  32          HD13      LEU  32  12.706  10.520   2.317
  243   HD21  LEU  32          HD23      LEU  32  13.601   9.478   0.226
  244   HD22  LEU  32          HD21      LEU  32  13.329  11.036  -0.581
  245   HD23  LEU  32          HD22      LEU  32  14.906  10.214  -0.672
  246    H    LEU  33           H        LEU  33  17.780  14.073   1.715
  247    HA   LEU  33           HA       LEU  33  17.673  16.219  -0.031
  248    HB2  LEU  33           HB2      LEU  33  18.221  16.286   2.407
  249    HB3  LEU  33           HB3      LEU  33  19.812  15.629   2.040
  250    HG   LEU  33           HG       LEU  33  20.370  17.660   0.733
  251   HD11  LEU  33          HD11      LEU  33  17.650  18.696   1.621
  252   HD12  LEU  33          HD12      LEU  33  18.930  19.646   0.839
  253   HD13  LEU  33          HD13      LEU  33  18.155  18.352  -0.046
  254   HD21  LEU  33          HD23      LEU  33  20.673  19.103   2.635
  255   HD22  LEU  33          HD21      LEU  33  19.397  18.254   3.540
  256   HD23  LEU  33          HD22      LEU  33  20.910  17.430   3.125
  257    H    ASP  34           H        ASP  34  20.232  13.803   0.427
  258    HA   ASP  34           HA       ASP  34  22.225  15.006  -1.123
  259    HB2  ASP  34           HB2      ASP  34  22.735  13.375   0.602
  260    HB3  ASP  34           HB3      ASP  34  21.710  12.161  -0.157
  261    H    LYS  35           H        LYS  35  19.570  13.050  -2.234
  262    HA   LYS  35           HA       LYS  35  20.746  13.300  -4.965
  263    HB2  LYS  35           HB2      LYS  35  18.651  11.250  -4.317
  264    HB3  LYS  35           HB3      LYS  35  19.613  11.398  -5.770
  265    HG2  LYS  35           HG2      LYS  35  20.502   9.532  -4.750
  266    HG3  LYS  35           HG3      LYS  35  21.656  10.797  -4.283
  267    HD2  LYS  35           HD2      LYS  35  20.719  10.908  -2.056
  268    HD3  LYS  35           HD3      LYS  35  19.276  10.024  -2.551
  269    HE2  LYS  35           HE2      LYS  35  20.647   8.648  -1.176
  270    HE3  LYS  35           HE3      LYS  35  20.556   7.972  -2.805
  271    HZ1  LYS  35           HZ3      LYS  35  22.841   9.643  -1.888
  272    HZ2  LYS  35           HZ1      LYS  35  22.818   7.991  -1.757
  273    HZ3  LYS  35           HZ2      LYS  35  22.772   8.708  -3.229
  274    H    ASN  36           H        ASN  36  19.273  15.200  -3.322
  275    HA   ASN  36           HA       ASN  36  17.799  16.842  -3.729
  276    HB2  ASN  36           HB2      ASN  36  19.263  16.751  -5.841
  277    HB3  ASN  36           HB3      ASN  36  17.906  15.970  -6.652
  278   HD21  ASN  36          HD22      ASN  36  18.557  18.734  -4.523
  279   HD22  ASN  36          HD21      ASN  36  17.548  19.889  -5.379
  280    H    TYR  37           H        TYR  37  16.564  14.187  -3.061
  281    HA   TYR  37           HA       TYR  37  13.978  14.166  -4.412
  282    HB2  TYR  37           HB2      TYR  37  14.985  12.953  -1.824
  283    HB3  TYR  37           HB3      TYR  37  13.323  12.831  -2.335
  284    HD1  TYR  37           HD2      TYR  37  16.785  11.548  -2.953
  285    HD2  TYR  37           HD1      TYR  37  12.617  11.329  -4.057
  286    HE1  TYR  37           HE2      TYR  37  17.240   9.566  -4.358
  287    HE2  TYR  37           HE1      TYR  37  13.094   9.399  -5.515
  288    HH   TYR  37           HH       TYR  37  14.741   7.985  -6.376
  289    H    ILE  38           H        ILE  38  15.470  16.143  -1.977
  290    HA   ILE  38           HA       ILE  38  12.995  17.688  -1.597
  291    HB   ILE  38           HB       ILE  38  13.452  17.823   0.855
  292   HG12  ILE  38          HG12      ILE  38  15.400  15.541   0.345
  293   HG13  ILE  38          HG13      ILE  38  15.841  17.199   0.769
  294   HG21  ILE  38          HG21      ILE  38  12.908  14.968  -0.042
  295   HG22  ILE  38          HG22      ILE  38  12.437  15.698   1.496
  296   HG23  ILE  38          HG23      ILE  38  11.712  16.285   0.014
  297   HD11  ILE  38          HD13      ILE  38  16.069  15.803   2.659
  298   HD12  ILE  38          HD11      ILE  38  14.723  16.933   2.955
  299   HD13  ILE  38          HD12      ILE  38  14.402  15.221   2.556
  300    H    SER  39           H        SER  39  13.562  19.744  -0.448
  301    HA   SER  39           HA       SER  39  16.216  20.853  -1.222
  302    HB2  SER  39           HB2      SER  39  13.749  22.352  -0.261
  303    HB3  SER  39           HB3      SER  39  15.128  22.985  -1.173
  304    HG   SER  39           HG       SER  39  13.115  21.178  -2.069
  305    H    GLU  40           H        GLU  40  17.301  22.196   0.495
  306    HA   GLU  40           HA       GLU  40  17.410  20.944   3.014
  307    HB2  GLU  40           HB2      GLU  40  18.268  23.748   2.205
  308    HB3  GLU  40           HB3      GLU  40  18.727  22.937   3.709
  309    HG2  GLU  40           HG2      GLU  40  19.810  21.114   2.384
  310    HG3  GLU  40           HG3      GLU  40  19.410  21.960   0.898
  311    H    ASN  41           H        ASN  41  15.376  23.684   2.005
  312    HA   ASN  41           HA       ASN  41  14.468  24.523   4.558
  313    HB2  ASN  41           HB2      ASN  41  13.958  25.724   2.447
  314    HB3  ASN  41           HB3      ASN  41  12.927  24.388   1.919
  315   HD21  ASN  41          HD21      ASN  41  10.784  24.164   2.859
  316   HD22  ASN  41          HD22      ASN  41  10.140  25.402   3.912
  317    H    TYR  42           H        TYR  42  13.583  21.641   2.668
  318    HA   TYR  42           HA       TYR  42  11.080  21.090   3.896
  319    HB2  TYR  42           HB2      TYR  42  12.015  20.111   1.773
  320    HB3  TYR  42           HB3      TYR  42  13.143  19.174   2.750
  321    HD1  TYR  42           HD1      TYR  42   9.569  19.635   1.888
  322    HD2  TYR  42           HD2      TYR  42  12.484  17.177   3.893
  323    HE1  TYR  42           HE1      TYR  42   7.930  17.756   1.983
  324    HE2  TYR  42           HE2      TYR  42  10.863  15.309   3.989
  325    HH   TYR  42           HH       TYR  42   8.798  14.540   3.301
  326    H    ILE  43           H        ILE  43  14.437  20.120   4.721
  327    HA   ILE  43           HA       ILE  43  13.807  18.507   6.985
  328    HB   ILE  43           HB       ILE  43  16.293  20.176   6.332
  329   HG12  ILE  43          HG12      ILE  43  17.001  17.532   6.037
  330   HG13  ILE  43          HG13      ILE  43  15.319  17.487   5.487
  331   HG21  ILE  43          HG21      ILE  43  16.159  19.611   8.753
  332   HG22  ILE  43          HG22      ILE  43  16.009  17.892   8.331
  333   HG23  ILE  43          HG23      ILE  43  17.492  18.785   7.935
  334   HD11  ILE  43          HD13      ILE  43  17.498  19.315   4.443
  335   HD12  ILE  43          HD11      ILE  43  16.942  17.817   3.676
  336   HD13  ILE  43          HD12      ILE  43  15.834  19.199   3.805
  337    H    GLN  44           H        GLN  44  14.588  22.035   6.694
  338    HA   GLN  44           HA       GLN  44  14.384  22.379   9.507
  339    HB2  GLN  44           HB2      GLN  44  15.649  23.819   7.728
  340    HB3  GLN  44           HB3      GLN  44  14.124  24.680   7.561
  341    HG2  GLN  44           HG2      GLN  44  15.570  25.827   9.183
  342    HG3  GLN  44           HG3      GLN  44  14.171  25.177  10.026
  343   HE21  GLN  44          HE22      GLN  44  14.800  24.369  12.060
  344   HE22  GLN  44          HE21      GLN  44  16.228  23.408  12.344
  345    H    ALA  45           H        ALA  45  11.918  22.562   6.988
  346    HA   ALA  45           HA       ALA  45   9.876  23.867   8.407
  347    HB1  ALA  45           HB3      ALA  45   9.564  21.451   6.551
  348    HB2  ALA  45           HB1      ALA  45   8.316  22.620   6.976
  349    HB3  ALA  45           HB2      ALA  45   9.715  23.147   6.014
  350    H    ILE  46           H        ILE  46  10.992  20.455   8.601
  351    HA   ILE  46           HA       ILE  46   8.862  19.660  10.390
  352    HB   ILE  46           HB       ILE  46  11.547  18.321   9.947
  353   HG12  ILE  46          HG12      ILE  46   9.021  17.550   8.466
  354   HG13  ILE  46          HG13      ILE  46  10.152  18.698   7.778
  355   HG21  ILE  46          HG21      ILE  46  10.207  17.567  11.924
  356   HG22  ILE  46          HG22      ILE  46   8.840  17.218  10.852
  357   HG23  ILE  46          HG23      ILE  46  10.348  16.300  10.704
  358   HD11  ILE  46          HD13      ILE  46  11.979  17.102   7.854
  359   HD12  ILE  46          HD11      ILE  46  10.924  15.862   8.547
  360   HD13  ILE  46          HD12      ILE  46  10.614  16.475   6.914
  361    H    LYS  47           H        LYS  47  12.362  20.502  10.748
  362    HA   LYS  47           HA       LYS  47  12.521  20.029  13.509
  363    HB2  LYS  47           HB2      LYS  47  13.927  22.057  11.735
  364    HB3  LYS  47           HB3      LYS  47  14.395  21.800  13.414
  365    HG2  LYS  47           HG2      LYS  47  15.204  19.597  12.973
  366    HG3  LYS  47           HG3      LYS  47  14.503  19.584  11.336
  367    HD2  LYS  47           HD2      LYS  47  15.951  21.357  10.624
  368    HD3  LYS  47           HD3      LYS  47  16.600  21.570  12.270
  369    HE2  LYS  47           HE2      LYS  47  17.730  19.446  12.157
  370    HE3  LYS  47           HE3      LYS  47  17.033  19.085  10.580
  371    HZ1  LYS  47           HZ3      LYS  47  19.288  19.976  10.368
  372    HZ2  LYS  47           HZ1      LYS  47  18.252  21.056   9.715
  373    HZ3  LYS  47           HZ2      LYS  47  18.901  21.331  11.179
  374    H    ASP  48           H        ASP  48  11.527  23.011  11.760
  375    HA   ASP  48           HA       ASP  48  11.564  24.776  13.922
  376    HB2  ASP  48           HB2      ASP  48  11.352  25.485  11.591
  377    HB3  ASP  48           HB3      ASP  48   9.744  24.761  11.481
  378    H    SER  49           H        SER  49   8.657  22.964  12.686
  379    HA   SER  49           HA       SER  49   6.963  23.723  14.856
  380    HB2  SER  49           HB2      SER  49   6.878  21.212  13.143
  381    HB3  SER  49           HB3      SER  49   5.532  21.924  14.052
  382    HG   SER  49           HG       SER  49   5.489  22.508  11.830
  383    H    THR  50           H        THR  50   9.156  20.882  14.388
  384    HA   THR  50           HA       THR  50   8.447  19.494  16.690
  385    HB   THR  50           HB       THR  50  11.160  19.639  15.349
  386    HG1  THR  50           HG1      THR  50   9.667  18.983  13.899
  387   HG21  THR  50          HG23      THR  50  11.338  17.277  16.240
  388   HG22  THR  50          HG21      THR  50  11.453  18.543  17.474
  389   HG23  THR  50          HG22      THR  50   9.943  17.632  17.284
  390    H    ILE  51           H        ILE  51  10.741  22.246  16.410
  391    HA   ILE  51           HA       ILE  51  11.453  22.095  19.234
  392    HB   ILE  51           HB       ILE  51  12.013  24.078  16.998
  393   HG12  ILE  51          HG12      ILE  51  13.902  22.165  18.459
  394   HG13  ILE  51          HG13      ILE  51  13.065  21.720  16.981
  395   HG21  ILE  51          HG21      ILE  51  12.070  25.336  19.123
  396   HG22  ILE  51          HG22      ILE  51  13.138  24.109  19.839
  397   HG23  ILE  51          HG23      ILE  51  13.694  25.132  18.498
  398   HD11  ILE  51          HD13      ILE  51  15.121  23.938  17.251
  399   HD12  ILE  51          HD11      ILE  51  15.259  22.405  16.382
  400   HD13  ILE  51          HD12      ILE  51  14.137  23.643  15.794
  401    H    ASN  52           H        ASN  52   9.361  24.234  17.207
  402    HA   ASN  52           HA       ASN  52   8.848  26.066  19.368
  403    HB2  ASN  52           HB2      ASN  52   7.622  25.633  16.621
  404    HB3  ASN  52           HB3      ASN  52   6.906  26.763  17.750
  405   HD21  ASN  52          HD22      ASN  52   9.840  26.129  15.865
  406   HD22  ASN  52          HD21      ASN  52  10.475  27.760  15.974
  407    H    ASN  53           H        ASN  53   7.137  23.206  18.199
  408    HA   ASN  53           HA       ASN  53   4.871  23.752  20.092
  409    HB2  ASN  53           HB2      ASN  53   4.443  24.080  17.613
  410    HB3  ASN  53           HB3      ASN  53   4.793  22.372  17.369
  411   HD21  ASN  53          HD22      ASN  53   2.418  24.674  18.285
  412   HD22  ASN  53          HD21      ASN  53   1.154  23.556  18.740
  413    H    GLY  54           H        GLY  54   6.716  21.229  18.343
  414    HA2  GLY  54           HA2      GLY  54   7.545  19.438  20.054
  415    HA3  GLY  54           HA3      GLY  54   5.806  19.119  20.216
  416    HA   PRO  55           HA       PRO  55   7.658  17.076  16.288
  417    HB2  PRO  55           HB2      PRO  55   7.505  14.442  17.036
  418    HB3  PRO  55           HB3      PRO  55   8.954  15.451  17.310
  419    HG2  PRO  55           HG2      PRO  55   6.717  14.839  19.271
  420    HG3  PRO  55           HG3      PRO  55   8.477  14.732  19.549
  421    HD2  PRO  55           HD2      PRO  55   7.041  16.904  20.316
  422    HD3  PRO  55           HD3      PRO  55   8.688  17.116  19.644
  423    H    TYR  56           H        TYR  56   6.236  16.171  14.746
  424    HA   TYR  56           HA       TYR  56   3.416  15.810  15.642
  425    HB2  TYR  56           HB2      TYR  56   2.607  17.397  14.116
  426    HB3  TYR  56           HB3      TYR  56   3.854  18.166  15.064
  427    HD1  TYR  56           HD2      TYR  56   6.228  18.443  13.975
  428    HD2  TYR  56           HD1      TYR  56   2.639  17.510  11.763
  429    HE1  TYR  56           HE2      TYR  56   7.283  19.291  11.917
  430    HE2  TYR  56           HE1      TYR  56   3.664  18.427   9.709
  431    HH   TYR  56           HH       TYR  56   6.956  19.834   9.636
  432    H    TYR  57           H        TYR  57   5.708  14.097  14.393
  433    HA   TYR  57           HA       TYR  57   3.823  12.490  12.807
  434    HB2  TYR  57           HB2      TYR  57   6.529  13.357  11.829
  435    HB3  TYR  57           HB3      TYR  57   5.864  11.773  11.442
  436    HD1  TYR  57           HD1      TYR  57   3.749  11.479  10.209
  437    HD2  TYR  57           HD2      TYR  57   5.606  15.347  10.678
  438    HE1  TYR  57           HE1      TYR  57   2.292  12.387   8.426
  439    HE2  TYR  57           HE2      TYR  57   4.197  16.245   8.863
  440    HH   TYR  57           HH       TYR  57   2.456  15.820   7.365
  441    H    ILE  58           H        ILE  58   3.583  11.592  14.933
  442    HA   ILE  58           HA       ILE  58   5.759   9.725  15.742
  443    HB   ILE  58           HB       ILE  58   3.762  11.178  17.527
  444   HG12  ILE  58          HG12      ILE  58   5.547  12.712  16.941
  445   HG13  ILE  58          HG13      ILE  58   5.667  12.236  18.618
  446   HG21  ILE  58          HG21      ILE  58   5.850   9.065  18.245
  447   HG22  ILE  58          HG22      ILE  58   4.913  10.041  19.412
  448   HG23  ILE  58          HG23      ILE  58   4.094   8.912  18.350
  449   HD11  ILE  58          HD13      ILE  58   7.902  12.277  17.708
  450   HD12  ILE  58          HD11      ILE  58   7.498  10.573  17.926
  451   HD13  ILE  58          HD12      ILE  58   7.421  11.308  16.312
  452    H    LEU  59           H        LEU  59   5.017   7.623  15.967
  453    HA   LEU  59           HA       LEU  59   2.164   7.146  15.169
  454    HB2  LEU  59           HB2      LEU  59   4.658   5.893  14.036
  455    HB3  LEU  59           HB3      LEU  59   3.013   5.321  13.775
  456    HG   LEU  59           HG       LEU  59   2.722   8.048  13.261
  457   HD11  LEU  59          HD11      LEU  59   5.388   7.240  12.050
  458   HD12  LEU  59          HD12      LEU  59   4.504   8.777  11.830
  459   HD13  LEU  59          HD13      LEU  59   5.184   8.368  13.393
  460   HD21  LEU  59          HD23      LEU  59   2.357   7.491  11.017
  461   HD22  LEU  59          HD21      LEU  59   3.314   5.998  11.142
  462   HD23  LEU  59          HD22      LEU  59   1.776   6.172  12.036
  463    H    ALA  60           H        ALA  60   4.897   6.132  17.158
  464    HA   ALA  60           HA       ALA  60   3.142   4.584  18.799
  465    HB1  ALA  60           HB3      ALA  60   4.441   2.459  18.685
  466    HB2  ALA  60           HB1      ALA  60   3.717   2.828  17.115
  467    HB3  ALA  60           HB2      ALA  60   5.444   3.134  17.395
  468    HA   PRO  61           HA       PRO  61   6.250   5.945  21.796
  469    HB2  PRO  61           HB2      PRO  61   6.380   3.052  22.682
  470    HB3  PRO  61           HB3      PRO  61   6.284   4.537  23.678
  471    HG2  PRO  61           HG2      PRO  61   4.067   3.049  23.257
  472    HG3  PRO  61           HG3      PRO  61   3.975   4.838  23.149
  473    HD2  PRO  61           HD2      PRO  61   4.178   2.825  20.903
  474    HD3  PRO  61           HD3      PRO  61   3.136   4.277  21.029
  475    H    GLY  62           H        GLY  62   8.259   6.444  21.064
  476    HA2  GLY  62           HA2      GLY  62  10.483   6.097  20.613
  477    HA3  GLY  62           HA3      GLY  62  10.228   4.357  20.532
  478    H    VAL  63           H        VAL  63   7.949   5.835  18.419
  479    HA   VAL  63           HA       VAL  63   9.786   5.480  16.093
  480    HB   VAL  63           HB       VAL  63   6.953   4.414  16.336
  481   HG11  VAL  63          HG11      VAL  63   7.332   3.292  14.219
  482   HG12  VAL  63          HG12      VAL  63   7.781   4.982  14.018
  483   HG13  VAL  63          HG13      VAL  63   9.050   3.769  14.222
  484   HG21  VAL  63          HG23      VAL  63   8.339   3.054  17.812
  485   HG22  VAL  63          HG21      VAL  63   8.023   2.140  16.345
  486   HG23  VAL  63          HG22      VAL  63   9.601   2.915  16.569
  487    H    ALA  64           H        ALA  64   9.721   7.095  14.705
  488    HA   ALA  64           HA       ALA  64   7.413   8.960  14.609
  489    HB1  ALA  64           HB3      ALA  64  10.372   9.693  14.475
  490    HB2  ALA  64           HB1      ALA  64   9.004  10.821  14.419
  491    HB3  ALA  64           HB2      ALA  64   9.341   9.925  15.908
  492    H    MET  65           H        MET  65   7.516  10.280  12.573
  493    HA   MET  65           HA       MET  65   8.851   8.911  10.335
  494    HB2  MET  65           HB2      MET  65   6.616   7.994  10.439
  495    HB3  MET  65           HB3      MET  65   5.941   9.635  10.366
  496    HG2  MET  65           HG2      MET  65   7.491   9.552   8.083
  497    HG3  MET  65           HG3      MET  65   7.009   7.867   8.240
  498    HE1  MET  65           HE3      MET  65   3.135   8.074   8.240
  499    HE2  MET  65           HE1      MET  65   4.534   7.348   9.076
  500    HE3  MET  65           HE2      MET  65   3.781   8.823   9.715
  501    HA   PRO  66           HA       PRO  66   8.958  13.617  10.733
  502    HB2  PRO  66           HB2      PRO  66  11.884  13.288  10.029
  503    HB3  PRO  66           HB3      PRO  66  11.142  14.342  11.268
  504    HG2  PRO  66           HG2      PRO  66  12.398  12.089  12.002
  505    HG3  PRO  66           HG3      PRO  66  10.848  12.538  12.775
  506    HD2  PRO  66           HD2      PRO  66  11.278  10.603  10.466
  507    HD3  PRO  66           HD3      PRO  66  10.378  10.346  11.989
  508    H    HIS  67           H        HIS  67   8.351  14.711   8.998
  509    HA   HIS  67           HA       HIS  67   9.275  14.666   6.320
  510    HB2  HIS  67           HB2      HIS  67   8.398  12.749   5.584
  511    HB3  HIS  67           HB3      HIS  67   7.652  12.399   7.089
  512    HD1  HIS  67           HD1      HIS  67   5.113  12.791   7.398
  513    HD2  HIS  67           HD2      HIS  67   6.669  13.692   3.559
  514    HE1  HIS  67           HE1      HIS  67   3.133  12.862   5.803
  515    H    ALA  68           H        ALA  68   7.601  15.961   4.947
  516    HA   ALA  68           HA       ALA  68   5.957  17.804   6.612
  517    HB1  ALA  68           HB3      ALA  68   7.029  19.723   5.602
  518    HB2  ALA  68           HB1      ALA  68   8.215  18.774   6.493
  519    HB3  ALA  68           HB2      ALA  68   8.164  18.681   4.723
  520    H    ARG  69           H        ARG  69   4.850  19.383   4.986
  521    HA   ARG  69           HA       ARG  69   3.320  17.891   3.049
  522    HB2  ARG  69           HB2      ARG  69   3.719  20.829   3.729
  523    HB3  ARG  69           HB3      ARG  69   2.783  20.367   2.306
  524    HG2  ARG  69           HG2      ARG  69   1.250  19.030   3.719
  525    HG3  ARG  69           HG3      ARG  69   2.191  19.452   5.155
  526    HD2  ARG  69           HD2      ARG  69   0.200  20.867   5.027
  527    HD3  ARG  69           HD3      ARG  69   1.661  21.832   4.856
  528    HE   ARG  69           HE       ARG  69   1.057  22.438   2.744
  529   HH11  ARG  69          HH11      ARG  69  -1.048  19.744   3.704
  530   HH12  ARG  69          HH12      ARG  69  -2.079  19.874   2.330
  531   HH21  ARG  69          HH21      ARG  69  -0.318  22.613   0.913
  532   HH22  ARG  69          HH22      ARG  69  -1.653  21.547   0.713
  533    HA   PRO  70           HA       PRO  70   6.010  17.812  -0.447
  534    HB2  PRO  70           HB2      PRO  70   4.373  18.708  -2.554
  535    HB3  PRO  70           HB3      PRO  70   4.410  17.060  -1.903
  536    HG2  PRO  70           HG2      PRO  70   2.450  19.243  -1.290
  537    HG3  PRO  70           HG3      PRO  70   2.152  17.492  -1.509
  538    HD2  PRO  70           HD2      PRO  70   2.270  18.643   0.951
  539    HD3  PRO  70           HD3      PRO  70   2.898  17.000   0.677
  540    H    GLU  71           H        GLU  71   3.893  20.706  -0.166
  541    HA   GLU  71           HA       GLU  71   5.378  22.546  -1.680
  542    HB2  GLU  71           HB2      GLU  71   3.482  22.987   0.672
  543    HB3  GLU  71           HB3      GLU  71   3.988  24.241  -0.458
  544    HG2  GLU  71           HG2      GLU  71   2.364  21.761  -1.172
  545    HG3  GLU  71           HG3      GLU  71   1.736  23.385  -0.955
  546    H    CYS  72           H        CYS  72   6.312  21.207   1.362
  547    HA   CYS  72           HA       CYS  72   7.671  23.615   2.346
  548    HB2  CYS  72           HB2      CYS  72   7.768  20.701   3.244
  549    HB3  CYS  72           HB3      CYS  72   8.586  22.048   4.050
  550    HG   CYS  72           HG       CYS  72   6.450  23.490   4.491
  551    H    GLY  73           H        GLY  73   8.287  21.541  -0.223
  552    HA2  GLY  73           HA2      GLY  73  10.258  22.366  -1.468
  553    HA3  GLY  73           HA3      GLY  73  11.238  22.060  -0.033
  554    H    ALA  74           H        ALA  74   8.684  19.724  -0.883
  555    HA   ALA  74           HA       ALA  74  10.672  17.639  -1.382
  556    HB1  ALA  74           HB3      ALA  74   8.412  17.121  -0.431
  557    HB2  ALA  74           HB1      ALA  74   7.692  17.669  -1.970
  558    HB3  ALA  74           HB2      ALA  74   8.756  16.254  -1.942
  559    H    LEU  75           H        LEU  75  11.234  16.788  -3.359
  560    HA   LEU  75           HA       LEU  75  10.545  18.400  -5.787
  561    HB2  LEU  75           HB2      LEU  75  13.234  17.291  -4.930
  562    HB3  LEU  75           HB3      LEU  75  12.919  18.107  -6.456
  563    HG   LEU  75           HG       LEU  75  12.738  19.374  -3.691
  564   HD11  LEU  75          HD11      LEU  75  14.823  19.684  -5.889
  565   HD12  LEU  75          HD12      LEU  75  14.799  20.554  -4.339
  566   HD13  LEU  75          HD13      LEU  75  15.039  18.802  -4.364
  567   HD21  LEU  75          HD23      LEU  75  11.212  20.516  -5.264
  568   HD22  LEU  75          HD21      LEU  75  12.613  21.532  -4.927
  569   HD23  LEU  75          HD22      LEU  75  12.515  20.644  -6.465
  570    H    LYS  76           H        LYS  76  11.342  15.224  -4.393
  571    HA   LYS  76           HA       LYS  76  10.190  13.939  -6.739
  572    HB2  LYS  76           HB2      LYS  76  12.787  12.917  -5.598
  573    HB3  LYS  76           HB3      LYS  76  12.014  12.417  -7.086
  574    HG2  LYS  76           HG2      LYS  76  12.741  14.515  -8.168
  575    HG3  LYS  76           HG3      LYS  76  13.374  15.119  -6.621
  576    HD2  LYS  76           HD2      LYS  76  14.939  13.169  -6.516
  577    HD3  LYS  76           HD3      LYS  76  14.397  12.694  -8.138
  578    HE2  LYS  76           HE2      LYS  76  15.176  14.888  -9.022
  579    HE3  LYS  76           HE3      LYS  76  15.696  15.373  -7.401
  580    HZ1  LYS  76           HZ3      LYS  76  17.293  13.569  -7.411
  581    HZ2  LYS  76           HZ1      LYS  76  16.782  13.040  -8.882
  582    HZ3  LYS  76           HZ2      LYS  76  17.522  14.483  -8.755
  583    H    THR  77           H        THR  77   9.422  11.753  -6.162
  584    HA   THR  77           HA       THR  77   8.811  11.568  -3.388
  585    HB   THR  77           HB       THR  77   8.000  10.075  -5.898
  586    HG1  THR  77           HG1      THR  77   6.424  11.435  -6.035
  587   HG21  THR  77          HG23      THR  77   7.584   8.630  -3.991
  588   HG22  THR  77          HG21      THR  77   6.807   9.964  -3.106
  589   HG23  THR  77          HG22      THR  77   6.053   9.290  -4.581
  590    H    GLY  78           H        GLY  78   9.553  10.254  -1.836
  591    HA2  GLY  78           HA2      GLY  78  10.807   7.736  -2.253
  592    HA3  GLY  78           HA3      GLY  78  12.034   9.000  -2.066
  593    H    MET  79           H        MET  79  12.214   7.298  -0.138
  594    HA   MET  79           HA       MET  79  11.189   8.545   2.307
  595    HB2  MET  79           HB2      MET  79  10.783   5.615   1.491
  596    HB3  MET  79           HB3      MET  79  10.699   6.188   3.152
  597    HG2  MET  79           HG2      MET  79   9.008   7.903   2.309
  598    HG3  MET  79           HG3      MET  79   8.806   6.886   0.904
  599    HE1  MET  79           HE3      MET  79   6.792   5.407   0.896
  600    HE2  MET  79           HE1      MET  79   7.926   4.117   1.369
  601    HE3  MET  79           HE2      MET  79   6.378   4.266   2.192
  602    H    SER  80           H        SER  80  12.251   7.333   4.227
  603    HA   SER  80           HA       SER  80  14.717   5.961   3.679
  604    HB2  SER  80           HB2      SER  80  14.792   8.727   4.961
  605    HB3  SER  80           HB3      SER  80  16.121   7.556   5.069
  606    HG   SER  80           HG       SER  80  15.127   7.968   2.523
  607    H    LEU  81           H        LEU  81  15.717   5.273   5.834
  608    HA   LEU  81           HA       LEU  81  13.716   4.875   7.973
  609    HB2  LEU  81           HB2      LEU  81  13.521   3.124   6.230
  610    HB3  LEU  81           HB3      LEU  81  15.246   2.799   6.306
  611    HG   LEU  81           HG       LEU  81  15.084   1.787   8.438
  612   HD11  LEU  81          HD11      LEU  81  12.134   2.461   8.487
  613   HD12  LEU  81          HD12      LEU  81  13.013   1.516   9.694
  614   HD13  LEU  81          HD13      LEU  81  13.377   3.227   9.524
  615   HD21  LEU  81          HD23      LEU  81  12.731   0.945   6.686
  616   HD22  LEU  81          HD21      LEU  81  14.412   0.536   6.352
  617   HD23  LEU  81          HD22      LEU  81  13.611  -0.109   7.810
  618    H    THR  82           H        THR  82  14.898   5.923   9.592
  619    HA   THR  82           HA       THR  82  17.804   5.327   9.903
  620    HB   THR  82           HB       THR  82  16.033   7.461  11.191
  621    HG1  THR  82           HG1      THR  82  16.196   7.723   8.937
  622   HG21  THR  82          HG23      THR  82  18.217   8.602  11.625
  623   HG22  THR  82          HG21      THR  82  18.022   7.086  12.509
  624   HG23  THR  82          HG22      THR  82  19.060   7.132  11.062
  625    H    LEU  83           H        LEU  83  18.529   4.412  11.886
  626    HA   LEU  83           HA       LEU  83  16.542   4.067  14.036
  627    HB2  LEU  83           HB2      LEU  83  16.669   1.971  12.729
  628    HB3  LEU  83           HB3      LEU  83  18.364   1.800  13.202
  629    HG   LEU  83           HG       LEU  83  16.244   2.287  15.324
  630   HD11  LEU  83          HD11      LEU  83  15.271   0.486  14.012
  631   HD12  LEU  83          HD12      LEU  83  16.805  -0.398  14.044
  632   HD13  LEU  83          HD13      LEU  83  15.893  -0.136  15.542
  633   HD21  LEU  83          HD23      LEU  83  18.573   0.365  15.520
  634   HD22  LEU  83          HD21      LEU  83  18.801   2.089  15.780
  635   HD23  LEU  83          HD22      LEU  83  17.662   1.217  16.807
  636    H    LEU  84           H        LEU  84  17.434   4.620  16.015
  637    HA   LEU  84           HA       LEU  84  20.380   5.168  16.175
  638    HB2  LEU  84           HB2      LEU  84  18.122   6.007  18.041
  639    HB3  LEU  84           HB3      LEU  84  19.834   6.271  18.295
  640    HG   LEU  84           HG       LEU  84  19.109   8.307  17.759
  641   HD11  LEU  84          HD11      LEU  84  21.058   7.578  16.317
  642   HD12  LEU  84          HD12      LEU  84  19.897   7.274  15.001
  643   HD13  LEU  84          HD13      LEU  84  20.119   8.913  15.617
  644   HD21  LEU  84          HD23      LEU  84  16.840   7.758  17.014
  645   HD22  LEU  84          HD21      LEU  84  17.606   8.928  15.928
  646   HD23  LEU  84          HD22      LEU  84  17.463   7.225  15.439
  647    H    GLU  85           H        GLU  85  21.531   3.726  17.458
  648    HA   GLU  85           HA       GLU  85  20.251   1.653  18.978
  649    HB2  GLU  85           HB2      GLU  85  23.090   2.766  19.089
  650    HB3  GLU  85           HB3      GLU  85  22.535   1.330  19.955
  651    HG2  GLU  85           HG2      GLU  85  21.914   0.274  17.775
  652    HG3  GLU  85           HG3      GLU  85  22.573   1.670  16.923
  653    H    GLN  86           H        GLN  86  21.311   4.937  19.643
  654    HA   GLN  86           HA       GLN  86  20.055   4.897  22.342
  655    HB2  GLN  86           HB2      GLN  86  22.538   6.402  21.497
  656    HB3  GLN  86           HB3      GLN  86  21.748   6.523  23.068
  657    HG2  GLN  86           HG2      GLN  86  22.800   3.927  21.924
  658    HG3  GLN  86           HG3      GLN  86  23.810   5.029  22.851
  659   HE21  GLN  86          HE21      GLN  86  20.978   2.830  23.036
  660   HE22  GLN  86          HE22      GLN  86  20.991   2.688  24.783
  661    H    GLY  87           H        GLY  87  18.249   5.409  21.272
  662    HA2  GLY  87           HA2      GLY  87  17.515   7.424  19.550
  663    HA3  GLY  87           HA3      GLY  87  16.506   6.856  20.879
  664    H    VAL  88           H        VAL  88  16.456   9.442  19.829
  665    HA   VAL  88           HA       VAL  88  17.568  11.117  22.026
  666    HB   VAL  88           HB       VAL  88  17.536  11.674  19.028
  667   HG11  VAL  88          HG11      VAL  88  18.680  13.786  19.563
  668   HG12  VAL  88          HG12      VAL  88  17.024  13.772  20.158
  669   HG13  VAL  88          HG13      VAL  88  18.384  13.526  21.295
  670   HG21  VAL  88          HG23      VAL  88  19.379  10.255  19.624
  671   HG22  VAL  88          HG21      VAL  88  20.060  11.895  19.567
  672   HG23  VAL  88          HG22      VAL  88  19.700  11.159  21.120
  673    H    TYR  89           H        TYR  89  16.287  12.961  22.540
  674    HA   TYR  89           HA       TYR  89  13.405  12.268  22.285
  675    HB2  TYR  89           HB2      TYR  89  14.536  11.763  24.409
  676    HB3  TYR  89           HB3      TYR  89  14.993  13.447  24.581
  677    HD1  TYR  89           HD1      TYR  89  11.634  13.415  23.289
  678    HD2  TYR  89           HD2      TYR  89  13.936  12.690  26.882
  679    HE1  TYR  89           HE1      TYR  89   9.731  14.031  24.636
  680    HE2  TYR  89           HE2      TYR  89  11.930  13.181  28.252
  681    HH   TYR  89           HH       TYR  89   8.794  14.137  26.732
  682    H    PHE  90           H        PHE  90  12.748  13.567  20.664
  683    HA   PHE  90           HA       PHE  90  13.214  16.290  20.189
  684    HB2  PHE  90           HB2      PHE  90  10.672  14.625  20.007
  685    HB3  PHE  90           HB3      PHE  90  10.850  16.219  19.275
  686    HD1  PHE  90           HD2      PHE  90  13.302  16.301  17.880
  687    HD2  PHE  90           HD1      PHE  90  10.601  12.972  18.324
  688    HE1  PHE  90           HE2      PHE  90  14.169  15.320  15.793
  689    HE2  PHE  90           HE1      PHE  90  11.437  12.023  16.184
  690    HZ   PHE  90           HZ       PHE  90  13.225  13.207  14.913
  691    HA   PRO  91           HA       PRO  91  11.452  18.126  23.840
  692    HB2  PRO  91           HB2      PRO  91  11.267  20.752  23.139
  693    HB3  PRO  91           HB3      PRO  91  12.829  19.898  23.278
  694    HG2  PRO  91           HG2      PRO  91  11.193  20.324  20.753
  695    HG3  PRO  91           HG3      PRO  91  12.919  20.748  21.022
  696    HD2  PRO  91           HD2      PRO  91  12.196  18.418  19.838
  697    HD3  PRO  91           HD3      PRO  91  13.568  18.476  20.983
  698    H    GLY  92           H        GLY  92   9.505  16.668  23.277
  699    HA2  GLY  92           HA2      GLY  92   7.205  17.912  24.074
  700    HA3  GLY  92           HA3      GLY  92   7.068  17.965  22.315
  701    H    ASN  93           H        ASN  93   8.736  15.148  22.674
  702    HA   ASN  93           HA       ASN  93   6.354  13.449  22.563
  703    HB2  ASN  93           HB2      ASN  93   8.668  13.108  21.354
  704    HB3  ASN  93           HB3      ASN  93   9.200  12.441  22.892
  705   HD21  ASN  93          HD22      ASN  93   6.969  12.017  20.145
  706   HD22  ASN  93          HD21      ASN  93   6.571  10.355  20.516
  707    H    ASP  94           H        ASP  94   6.792  11.258  24.054
  708    HA   ASP  94           HA       ASP  94   6.880  12.176  26.875
  709    HB2  ASP  94           HB2      ASP  94   4.909  10.857  26.193
  710    HB3  ASP  94           HB3      ASP  94   5.968   9.555  25.640
  711    H    GLU  95           H        GLU  95   8.555  10.202  24.445
  712    HA   GLU  95           HA       GLU  95  10.798   9.792  26.286
  713    HB2  GLU  95           HB2      GLU  95  10.643   7.471  26.272
  714    HB3  GLU  95           HB3      GLU  95   8.962   7.990  26.378
  715    HG2  GLU  95           HG2      GLU  95   8.659   7.559  23.958
  716    HG3  GLU  95           HG3      GLU  95  10.348   7.038  23.860
  717    HA   PRO  96           HA       PRO  96  13.444  10.160  22.774
  718    HB2  PRO  96           HB2      PRO  96  14.751   7.518  23.290
  719    HB3  PRO  96           HB3      PRO  96  15.481   9.148  23.202
  720    HG2  PRO  96           HG2      PRO  96  15.132   7.858  25.587
  721    HG3  PRO  96           HG3      PRO  96  14.911   9.629  25.437
  722    HD2  PRO  96           HD2      PRO  96  12.791   7.467  25.438
  723    HD3  PRO  96           HD3      PRO  96  12.818   9.034  26.310
  724    H    ILE  97           H        ILE  97  13.548   9.622  20.585
  725    HA   ILE  97           HA       ILE  97  11.890   7.343  19.627
  726    HB   ILE  97           HB       ILE  97  13.134   9.706  18.165
  727   HG12  ILE  97          HG12      ILE  97  11.448  10.654  19.520
  728   HG13  ILE  97          HG13      ILE  97  10.745  10.487  17.925
  729   HG21  ILE  97          HG21      ILE  97  11.157   7.614  17.153
  730   HG22  ILE  97          HG22      ILE  97  11.704   9.048  16.280
  731   HG23  ILE  97          HG23      ILE  97  12.852   7.772  16.651
  732   HD11  ILE  97          HD13      ILE  97   9.526   8.427  18.715
  733   HD12  ILE  97          HD11      ILE  97  10.168   8.732  20.355
  734   HD13  ILE  97          HD12      ILE  97   9.103   9.906  19.593
  735    H    LYS  98           H        LYS  98  12.838   5.565  18.809
  736    HA   LYS  98           HA       LYS  98  15.784   5.659  18.290
  737    HB2  LYS  98           HB2      LYS  98  13.987   3.256  18.808
  738    HB3  LYS  98           HB3      LYS  98  15.669   3.167  18.257
  739    HG2  LYS  98           HG2      LYS  98  16.366   4.464  20.303
  740    HG3  LYS  98           HG3      LYS  98  14.693   4.410  20.869
  741    HD2  LYS  98           HD2      LYS  98  15.908   2.701  22.010
  742    HD3  LYS  98           HD3      LYS  98  14.823   1.897  20.866
  743    HE2  LYS  98           HE2      LYS  98  16.711   1.577  19.287
  744    HE3  LYS  98           HE3      LYS  98  17.783   2.481  20.354
  745    HZ1  LYS  98           HZ3      LYS  98  16.496  -0.097  21.056
  746    HZ2  LYS  98           HZ1      LYS  98  18.056   0.094  20.627
  747    HZ3  LYS  98           HZ2      LYS  98  17.519   0.744  22.017
  748    H    LEU  99           H        LEU  99  12.631   5.500  16.686
  749    HA   LEU  99           HA       LEU  99  14.109   4.803  14.189
  750    HB2  LEU  99           HB2      LEU  99  11.619   3.640  15.407
  751    HB3  LEU  99           HB3      LEU  99  11.575   3.889  13.674
  752    HG   LEU  99           HG       LEU  99  13.969   2.464  14.818
  753   HD11  LEU  99          HD11      LEU  99  12.836   0.345  14.789
  754   HD12  LEU  99          HD12      LEU  99  11.963   1.436  15.863
  755   HD13  LEU  99          HD13      LEU  99  11.308   1.103  14.252
  756   HD21  LEU  99          HD23      LEU  99  13.880   3.055  12.393
  757   HD22  LEU  99          HD21      LEU  99  13.867   1.310  12.592
  758   HD23  LEU  99          HD22      LEU  99  12.366   2.173  12.222
  759    H    LEU 100           H        LEU 100  13.785   5.959  12.451
  760    HA   LEU 100           HA       LEU 100  11.553   7.941  12.467
  761    HB2  LEU 100           HB2      LEU 100  14.391   8.745  11.762
  762    HB3  LEU 100           HB3      LEU 100  12.958   9.731  11.904
  763    HG   LEU 100           HG       LEU 100  13.027   8.724  14.409
  764   HD11  LEU 100          HD11      LEU 100  15.159   7.458  13.965
  765   HD12  LEU 100          HD12      LEU 100  15.965   9.014  13.697
  766   HD13  LEU 100          HD13      LEU 100  15.258   8.628  15.286
  767   HD21  LEU 100          HD23      LEU 100  14.093  10.766  15.206
  768   HD22  LEU 100          HD21      LEU 100  14.600  11.152  13.548
  769   HD23  LEU 100          HD22      LEU 100  12.870  11.074  13.971
  770    H    ILE 101           H        ILE 101  10.416   7.329  10.691
  771    HA   ILE 101           HA       ILE 101  11.884   6.533   8.266
  772    HB   ILE 101           HB       ILE 101   8.991   6.236   9.152
  773   HG12  ILE 101          HG12      ILE 101   9.526   3.897   8.355
  774   HG13  ILE 101          HG13      ILE 101  11.175   4.418   8.049
  775   HG21  ILE 101          HG21      ILE 101   9.994   5.966   6.286
  776   HG22  ILE 101          HG22      ILE 101   8.427   5.400   6.906
  777   HG23  ILE 101          HG23      ILE 101   8.777   7.121   6.876
  778   HD11  ILE 101          HD13      ILE 101  11.652   4.632  10.354
  779   HD12  ILE 101          HD11      ILE 101   9.922   4.664  10.810
  780   HD13  ILE 101          HD12      ILE 101  10.678   3.164  10.244
  781    H    GLY 102           H        GLY 102  12.396   7.941   6.764
  782    HA2  GLY 102           HA2      GLY 102  11.282  10.692   6.775
  783    HA3  GLY 102           HA3      GLY 102  12.599  10.091   5.760
  784    H    LEU 103           H        LEU 103  10.106  11.490   4.915
  785    HA   LEU 103           HA       LEU 103   9.583   9.772   2.636
  786    HB2  LEU 103           HB2      LEU 103   7.745   9.182   4.365
  787    HB3  LEU 103           HB3      LEU 103   7.246  10.854   4.260
  788    HG   LEU 103           HG       LEU 103   6.929   8.589   2.252
  789   HD11  LEU 103          HD11      LEU 103   4.621   9.027   2.684
  790   HD12  LEU 103          HD12      LEU 103   5.368   9.247   4.269
  791   HD13  LEU 103          HD13      LEU 103   4.937  10.653   3.323
  792   HD21  LEU 103          HD23      LEU 103   7.366  10.261   0.685
  793   HD22  LEU 103          HD21      LEU 103   5.634  10.375   0.861
  794   HD23  LEU 103          HD22      LEU 103   6.613  11.568   1.678
  795    H    SER 104           H        SER 104   9.243  11.057   0.814
  796    HA   SER 104           HA       SER 104   8.406  13.837   1.111
  797    HB2  SER 104           HB2      SER 104  10.147  14.646  -0.412
  798    HB3  SER 104           HB3      SER 104  10.844  14.015   1.091
  799    HG   SER 104           HG       SER 104  10.975  13.000  -1.528
  800    H    ALA 105           H        ALA 105   7.104  14.429  -0.775
  801    HA   ALA 105           HA       ALA 105   7.343  12.677  -3.064
  802    HB1  ALA 105           HB3      ALA 105   4.533  13.103  -2.240
  803    HB2  ALA 105           HB1      ALA 105   5.271  11.814  -3.182
  804    HB3  ALA 105           HB2      ALA 105   5.448  11.802  -1.428
  805    H    ALA 106           H        ALA 106   6.721  13.625  -5.005
  806    HA   ALA 106           HA       ALA 106   6.946  16.506  -4.757
  807    HB1  ALA 106           HB3      ALA 106   8.183  15.242  -6.523
  808    HB2  ALA 106           HB1      ALA 106   6.639  14.752  -7.259
  809    HB3  ALA 106           HB2      ALA 106   7.119  16.462  -7.244
  810    H    ASP 107           H        ASP 107   4.315  14.306  -4.893
  811    HA   ASP 107           HA       ASP 107   2.440  16.598  -5.250
  812    HB2  ASP 107           HB2      ASP 107   2.515  15.355  -7.401
  813    HB3  ASP 107           HB3      ASP 107   2.082  13.872  -6.548
  814    H    ALA 108           H        ALA 108   0.440  16.339  -4.085
  815    HA   ALA 108           HA       ALA 108   0.792  15.151  -1.549
  816    HB1  ALA 108           HB3      ALA 108  -1.551  15.809  -1.161
  817    HB2  ALA 108           HB1      ALA 108  -0.647  17.114  -1.951
  818    HB3  ALA 108           HB2      ALA 108  -1.770  16.106  -2.898
  819    H    ASP 109           H        ASP 109  -0.811  13.854  -4.478
  820    HA   ASP 109           HA       ASP 109  -2.019  11.612  -3.015
  821    HB2  ASP 109           HB2      ASP 109  -3.015  12.374  -5.082
  822    HB3  ASP 109           HB3      ASP 109  -1.503  12.060  -5.963
  823    H    SER 110           H        SER 110   1.059  12.275  -4.643
  824    HA   SER 110           HA       SER 110   2.046   9.565  -4.444
  825    HB2  SER 110           HB2      SER 110   3.613  12.171  -4.612
  826    HB3  SER 110           HB3      SER 110   4.219  10.537  -4.903
  827    HG   SER 110           HG       SER 110   3.663  11.568  -6.854
  828    H    HIS 111           H        HIS 111   2.020  12.404  -2.197
  829    HA   HIS 111           HA       HIS 111   3.504  11.093  -0.112
  830    HB2  HIS 111           HB2      HIS 111   1.489  13.356  -0.080
  831    HB3  HIS 111           HB3      HIS 111   1.984  12.587   1.409
  832    HD1  HIS 111           HD1      HIS 111   4.372  13.189   2.371
  833    HD2  HIS 111           HD2      HIS 111   3.321  14.966  -1.286
  834    HE1  HIS 111           HE1      HIS 111   6.106  14.971   1.918
  835    H    ILE 112           H        ILE 112  -0.035  11.145  -0.856
  836    HA   ILE 112           HA       ILE 112  -0.841   9.470   1.276
  837    HB   ILE 112           HB       ILE 112  -1.960   9.810  -1.532
  838   HG12  ILE 112          HG12      ILE 112  -2.046  11.822  -0.060
  839   HG13  ILE 112          HG13      ILE 112  -3.604  11.246  -0.617
  840   HG21  ILE 112          HG21      ILE 112  -3.201   8.247   0.747
  841   HG22  ILE 112          HG22      ILE 112  -4.081   8.824  -0.691
  842   HG23  ILE 112          HG23      ILE 112  -2.767   7.665  -0.873
  843   HD11  ILE 112          HD13      ILE 112  -3.639  11.987   1.720
  844   HD12  ILE 112          HD11      ILE 112  -4.061  10.271   1.591
  845   HD13  ILE 112          HD12      ILE 112  -2.439  10.750   2.154
  846    H    GLY 113           H        GLY 113   0.162   8.475  -2.079
  847    HA2  GLY 113           HA2      GLY 113  -0.119   5.717  -1.659
  848    HA3  GLY 113           HA3      GLY 113   1.003   6.470  -2.814
  849    H    ALA 114           H        ALA 114   2.678   7.838  -0.935
  850    HA   ALA 114           HA       ALA 114   4.480   5.717  -0.211
  851    HB1  ALA 114           HB3      ALA 114   5.203   7.992  -0.930
  852    HB2  ALA 114           HB1      ALA 114   4.423   8.676   0.496
  853    HB3  ALA 114           HB2      ALA 114   5.824   7.588   0.677
  854    H    ILE 115           H        ILE 115   2.362   7.934   1.737
  855    HA   ILE 115           HA       ILE 115   3.059   7.051   4.255
  856    HB   ILE 115           HB       ILE 115   0.716   8.271   2.963
  857   HG12  ILE 115          HG12      ILE 115   2.668   9.679   3.639
  858   HG13  ILE 115          HG13      ILE 115   1.114  10.228   4.223
  859   HG21  ILE 115          HG21      ILE 115  -0.454   8.554   5.171
  860   HG22  ILE 115          HG22      ILE 115  -0.523   6.972   4.391
  861   HG23  ILE 115          HG23      ILE 115   0.601   7.219   5.751
  862   HD11  ILE 115          HD13      ILE 115   2.973  10.373   5.903
  863   HD12  ILE 115          HD11      ILE 115   1.560   9.463   6.462
  864   HD13  ILE 115          HD12      ILE 115   3.013   8.597   5.930
  865    H    GLN 116           H        GLN 116   0.535   5.914   1.909
  866    HA   GLN 116           HA       GLN 116  -0.568   3.900   3.613
  867    HB2  GLN 116           HB2      GLN 116  -0.668   4.417   0.612
  868    HB3  GLN 116           HB3      GLN 116  -1.549   3.089   1.362
  869    HG2  GLN 116           HG2      GLN 116  -1.869   6.013   2.136
  870    HG3  GLN 116           HG3      GLN 116  -2.913   5.167   1.003
  871   HE21  GLN 116          HE22      GLN 116  -3.148   6.368   3.952
  872   HE22  GLN 116          HE21      GLN 116  -4.040   5.121   4.782
  873    H    ALA 117           H        ALA 117   2.450   3.954   2.044
  874    HA   ALA 117           HA       ALA 117   2.623   1.038   1.911
  875    HB1  ALA 117           HB3      ALA 117   3.484   2.397  -0.056
  876    HB2  ALA 117           HB1      ALA 117   4.657   3.146   1.033
  877    HB3  ALA 117           HB2      ALA 117   4.741   1.410   0.717
  878    H    LEU 118           H        LEU 118   4.089   3.926   3.505
  879    HA   LEU 118           HA       LEU 118   5.831   2.205   5.007
  880    HB2  LEU 118           HB2      LEU 118   6.513   4.171   6.149
  881    HB3  LEU 118           HB3      LEU 118   6.293   4.489   4.425
  882    HG   LEU 118           HG       LEU 118   3.992   5.347   5.022
  883   HD11  LEU 118          HD11      LEU 118   5.318   5.964   7.678
  884   HD12  LEU 118          HD12      LEU 118   3.630   6.294   7.157
  885   HD13  LEU 118          HD13      LEU 118   4.130   4.677   7.554
  886   HD21  LEU 118          HD23      LEU 118   5.625   6.816   4.152
  887   HD22  LEU 118          HD21      LEU 118   4.965   7.605   5.585
  888   HD23  LEU 118          HD22      LEU 118   6.555   6.831   5.672
  889    H    SER 119           H        SER 119   2.597   3.481   5.503
  890    HA   SER 119           HA       SER 119   2.309   2.752   8.208
  891    HB2  SER 119           HB2      SER 119   0.164   2.646   6.042
  892    HB3  SER 119           HB3      SER 119  -0.119   2.683   7.793
  893    HG   SER 119           HG       SER 119   1.019   4.676   6.132
  894    H    GLU 120           H        GLU 120   2.667   0.543   5.493
  895    HA   GLU 120           HA       GLU 120   1.450  -1.724   6.803
  896    HB2  GLU 120           HB2      GLU 120   3.632  -1.700   4.679
  897    HB3  GLU 120           HB3      GLU 120   2.640  -3.068   5.172
  898    HG2  GLU 120           HG2      GLU 120   0.594  -1.692   4.430
  899    HG3  GLU 120           HG3      GLU 120   1.741  -0.583   3.668
  900    H    LEU 121           H        LEU 121   4.249   0.130   7.281
  901    HA   LEU 121           HA       LEU 121   5.610  -1.981   8.893
  902    HB2  LEU 121           HB2      LEU 121   6.772   0.615   7.831
  903    HB3  LEU 121           HB3      LEU 121   7.642  -0.694   8.611
  904    HG   LEU 121           HG       LEU 121   6.359  -0.657   5.849
  905   HD11  LEU 121          HD11      LEU 121   8.505   0.487   6.024
  906   HD12  LEU 121          HD12      LEU 121   9.244  -0.937   6.790
  907   HD13  LEU 121          HD13      LEU 121   8.696  -1.014   5.105
  908   HD21  LEU 121          HD23      LEU 121   6.070  -2.966   6.796
  909   HD22  LEU 121          HD21      LEU 121   7.226  -2.932   5.465
  910   HD23  LEU 121          HD22      LEU 121   7.811  -3.030   7.130
  911    H    LEU 122           H        LEU 122   5.181   1.626   9.001
  912    HA   LEU 122           HA       LEU 122   5.729   1.960  11.730
  913    HB2  LEU 122           HB2      LEU 122   3.963   3.500   9.781
  914    HB3  LEU 122           HB3      LEU 122   4.118   3.984  11.451
  915    HG   LEU 122           HG       LEU 122   5.503   5.316   9.976
  916   HD11  LEU 122          HD11      LEU 122   6.124   4.937  12.365
  917   HD12  LEU 122          HD12      LEU 122   7.250   3.668  11.831
  918   HD13  LEU 122          HD13      LEU 122   7.493   5.349  11.320
  919   HD21  LEU 122          HD23      LEU 122   6.143   3.538   8.339
  920   HD22  LEU 122          HD21      LEU 122   7.465   4.530   8.910
  921   HD23  LEU 122          HD22      LEU 122   7.274   2.879   9.540
  922    H    CYS 123           H        CYS 123   2.613   1.044  10.275
  923    HA   CYS 123           HA       CYS 123   1.374   1.360  12.945
  924    HB2  CYS 123           HB2      CYS 123   0.002   0.968  10.255
  925    HB3  CYS 123           HB3      CYS 123  -0.756   1.406  11.786
  926    HG   CYS 123           HG       CYS 123  -0.712   3.504  10.230
  927    H    GLU 124           H        GLU 124   3.171  -0.835  12.251
  928    HA   GLU 124           HA       GLU 124   1.374  -3.083  12.926
  929    HB2  GLU 124           HB2      GLU 124   3.411  -3.018  10.687
  930    HB3  GLU 124           HB3      GLU 124   2.959  -4.530  11.480
  931    HG2  GLU 124           HG2      GLU 124   0.861  -2.693  10.294
  932    HG3  GLU 124           HG3      GLU 124   1.726  -3.876   9.321
  933    H    GLU 125           H        GLU 125   1.905  -3.170  14.984
  934    HA   GLU 125           HA       GLU 125   4.408  -2.600  16.103
  935    HB2  GLU 125           HB2      GLU 125   3.597  -3.621  18.136
  936    HB3  GLU 125           HB3      GLU 125   2.334  -2.653  17.378
  937    HG2  GLU 125           HG2      GLU 125   1.311  -4.750  16.456
  938    HG3  GLU 125           HG3      GLU 125   2.555  -5.697  17.273
  939    H    GLU 126           H        GLU 126   3.327  -5.562  14.572
  940    HA   GLU 126           HA       GLU 126   5.339  -7.308  15.566
  941    HB2  GLU 126           HB2      GLU 126   3.922  -7.354  12.859
  942    HB3  GLU 126           HB3      GLU 126   4.849  -8.683  13.575
  943    HG2  GLU 126           HG2      GLU 126   3.263  -8.632  15.536
  944    HG3  GLU 126           HG3      GLU 126   2.293  -7.446  14.647
  945    H    ILE 127           H        ILE 127   5.206  -5.077  12.798
  946    HA   ILE 127           HA       ILE 127   7.872  -5.717  11.844
  947    HB   ILE 127           HB       ILE 127   5.877  -3.584  11.190
  948   HG12  ILE 127          HG12      ILE 127   5.869  -4.557   8.999
  949   HG13  ILE 127          HG13      ILE 127   7.260  -5.581   9.363
  950   HG21  ILE 127          HG21      ILE 127   7.902  -2.365  11.022
  951   HG22  ILE 127          HG22      ILE 127   8.778  -3.767  10.362
  952   HG23  ILE 127          HG23      ILE 127   7.576  -2.913   9.378
  953   HD11  ILE 127          HD13      ILE 127   5.124  -6.816   9.181
  954   HD12  ILE 127          HD11      ILE 127   5.908  -7.033  10.750
  955   HD13  ILE 127          HD12      ILE 127   4.507  -5.940  10.593
  956    H    LEU 128           H        LEU 128   6.385  -3.125  13.889
  957    HA   LEU 128           HA       LEU 128   8.632  -1.564  14.164
  958    HB2  LEU 128           HB2      LEU 128   6.605  -2.145  16.350
  959    HB3  LEU 128           HB3      LEU 128   7.798  -0.861  16.399
  960    HG   LEU 128           HG       LEU 128   5.480  -1.065  14.444
  961   HD11  LEU 128          HD11      LEU 128   6.123   0.894  16.676
  962   HD12  LEU 128          HD12      LEU 128   4.736   0.989  15.567
  963   HD13  LEU 128          HD13      LEU 128   4.869  -0.356  16.706
  964   HD21  LEU 128          HD23      LEU 128   6.273   1.255  13.753
  965   HD22  LEU 128          HD21      LEU 128   7.836   0.848  14.491
  966   HD23  LEU 128          HD22      LEU 128   7.200  -0.108  13.134
  967    H    GLU 129           H        GLU 129   8.022  -4.538  16.044
  968    HA   GLU 129           HA       GLU 129  10.323  -4.068  17.669
  969    HB2  GLU 129           HB2      GLU 129   9.863  -5.946  18.820
  970    HB3  GLU 129           HB3      GLU 129   8.266  -5.559  18.196
  971    HG2  GLU 129           HG2      GLU 129   8.669  -7.261  16.362
  972    HG3  GLU 129           HG3      GLU 129  10.209  -7.663  17.138
  973    H    GLN 130           H        GLN 130   9.819  -5.608  14.507
  974    HA   GLN 130           HA       GLN 130  12.337  -7.023  14.516
  975    HB2  GLN 130           HB2      GLN 130  10.261  -6.413  12.382
  976    HB3  GLN 130           HB3      GLN 130  11.739  -7.357  12.086
  977    HG2  GLN 130           HG2      GLN 130  11.126  -9.015  13.709
  978    HG3  GLN 130           HG3      GLN 130   9.702  -8.099  14.203
  979   HE21  GLN 130          HE22      GLN 130   7.807  -8.293  13.033
  980   HE22  GLN 130          HE21      GLN 130   7.617  -9.369  11.655
  981    H    LEU 131           H        LEU 131  11.102  -3.863  13.425
  982    HA   LEU 131           HA       LEU 131  13.565  -2.954  12.190
  983    HB2  LEU 131           HB2      LEU 131  11.454  -1.372  13.706
  984    HB3  LEU 131           HB3      LEU 131  12.731  -0.690  12.715
  985    HG   LEU 131           HG       LEU 131  10.471  -2.419  11.607
  986   HD11  LEU 131          HD11      LEU 131   9.725  -0.355  12.787
  987   HD12  LEU 131          HD12      LEU 131  10.724   0.607  11.692
  988   HD13  LEU 131          HD13      LEU 131   9.365  -0.341  11.043
  989   HD21  LEU 131          HD23      LEU 131  12.467  -0.549  10.283
  990   HD22  LEU 131          HD21      LEU 131  12.438  -2.313  10.135
  991   HD23  LEU 131          HD22      LEU 131  11.114  -1.342   9.461
  992    H    LEU 132           H        LEU 132  12.082  -2.452  15.437
  993    HA   LEU 132           HA       LEU 132  14.179  -1.025  16.574
  994    HB2  LEU 132           HB2      LEU 132  12.150  -2.879  17.821
  995    HB3  LEU 132           HB3      LEU 132  13.359  -2.108  18.824
  996    HG   LEU 132           HG       LEU 132  11.501  -0.503  17.036
  997   HD11  LEU 132          HD11      LEU 132  11.194  -1.183  19.989
  998   HD12  LEU 132          HD12      LEU 132  10.190  -0.038  19.070
  999   HD13  LEU 132          HD13      LEU 132  10.160  -1.757  18.660
 1000   HD21  LEU 132          HD23      LEU 132  12.128   1.361  18.543
 1001   HD22  LEU 132          HD21      LEU 132  13.232   0.286  19.425
 1002   HD23  LEU 132          HD22      LEU 132  13.553   0.708  17.730
 1003    H    THR 133           H        THR 133  14.071  -4.519  16.145
 1004    HA   THR 133           HA       THR 133  16.452  -4.912  17.817
 1005    HB   THR 133           HB       THR 133  16.002  -7.337  17.252
 1006    HG1  THR 133           HG1      THR 133  13.515  -6.383  16.335
 1007   HG21  THR 133          HG23      THR 133  13.744  -5.719  18.530
 1008   HG22  THR 133          HG21      THR 133  13.921  -7.480  18.638
 1009   HG23  THR 133          HG22      THR 133  15.159  -6.419  19.344
 1010    H    ALA 134           H        ALA 134  16.145  -3.744  14.737
 1011    HA   ALA 134           HA       ALA 134  17.957  -5.330  13.240
 1012    HB1  ALA 134           HB3      ALA 134  17.311  -2.373  12.948
 1013    HB2  ALA 134           HB1      ALA 134  18.088  -3.415  11.748
 1014    HB3  ALA 134           HB2      ALA 134  16.394  -3.712  12.216
 1015    H    SER 135           H        SER 135  19.913  -5.808  14.186
 1016    HA   SER 135           HA       SER 135  21.535  -3.955  15.601
 1017    HB2  SER 135           HB2      SER 135  22.435  -6.422  14.057
 1018    HB3  SER 135           HB3      SER 135  23.239  -5.670  15.446
 1019    HG   SER 135           HG       SER 135  22.013  -7.514  16.039
 1020    H    SER 136           H        SER 136  21.070  -4.506  12.160
 1021    HA   SER 136           HA       SER 136  23.105  -2.503  11.427
 1022    HB2  SER 136           HB2      SER 136  22.990  -5.311  10.234
 1023    HB3  SER 136           HB3      SER 136  24.119  -4.019   9.800
 1024    HG   SER 136           HG       SER 136  25.051  -5.564  11.211
 1025    H    GLU 137           H        GLU 137  22.808  -1.779   9.249
 1026    HA   GLU 137           HA       GLU 137  20.229  -1.106   8.549
 1027    HB2  GLU 137           HB2      GLU 137  22.580  -1.392   6.618
 1028    HB3  GLU 137           HB3      GLU 137  21.135  -0.407   6.408
 1029    HG2  GLU 137           HG2      GLU 137  22.533   1.189   6.978
 1030    HG3  GLU 137           HG3      GLU 137  21.877   0.802   8.554
 1031    H    LYS 138           H        LYS 138  21.988  -4.005   7.566
 1032    HA   LYS 138           HA       LYS 138  20.452  -4.749   5.348
 1033    HB2  LYS 138           HB2      LYS 138  21.766  -6.565   7.418
 1034    HB3  LYS 138           HB3      LYS 138  21.202  -7.086   5.835
 1035    HG2  LYS 138           HG2      LYS 138  23.453  -5.099   6.356
 1036    HG3  LYS 138           HG3      LYS 138  23.621  -6.785   5.862
 1037    HD2  LYS 138           HD2      LYS 138  22.324  -6.237   3.761
 1038    HD3  LYS 138           HD3      LYS 138  22.406  -4.529   4.200
 1039    HE2  LYS 138           HE2      LYS 138  24.806  -6.366   3.765
 1040    HE3  LYS 138           HE3      LYS 138  24.146  -5.265   2.556
 1041    HZ1  LYS 138           HZ3      LYS 138  24.695  -3.412   4.025
 1042    HZ2  LYS 138           HZ1      LYS 138  25.346  -4.431   5.133
 1043    HZ3  LYS 138           HZ2      LYS 138  26.022  -4.278   3.662
 1044    H    GLN 139           H        GLN 139  19.522  -5.162   8.823
 1045    HA   GLN 139           HA       GLN 139  17.360  -6.886   8.099
 1046    HB2  GLN 139           HB2      GLN 139  18.625  -7.194  10.120
 1047    HB3  GLN 139           HB3      GLN 139  18.419  -5.504  10.585
 1048    HG2  GLN 139           HG2      GLN 139  17.030  -6.861  11.909
 1049    HG3  GLN 139           HG3      GLN 139  16.064  -5.824  10.860
 1050   HE21  GLN 139          HE22      GLN 139  14.859  -6.863   9.077
 1051   HE22  GLN 139          HE21      GLN 139  14.628  -8.586   8.966
 1052    H    LEU 140           H        LEU 140  17.903  -3.364   8.340
 1053    HA   LEU 140           HA       LEU 140  15.063  -2.722   8.643
 1054    HB2  LEU 140           HB2      LEU 140  17.533  -1.127   7.903
 1055    HB3  LEU 140           HB3      LEU 140  15.931  -0.427   7.907
 1056    HG   LEU 140           HG       LEU 140  17.225  -1.727  10.314
 1057   HD11  LEU 140          HD11      LEU 140  18.437   0.317   9.582
 1058   HD12  LEU 140          HD12      LEU 140  16.930   1.242   9.687
 1059   HD13  LEU 140          HD13      LEU 140  17.640   0.528  11.144
 1060   HD21  LEU 140          HD23      LEU 140  15.541  -0.606  11.672
 1061   HD22  LEU 140          HD21      LEU 140  14.745  -0.004  10.204
 1062   HD23  LEU 140          HD22      LEU 140  14.812  -1.752  10.556
 1063    H    ALA 141           H        ALA 141  17.522  -2.657   6.030
 1064    HA   ALA 141           HA       ALA 141  15.880  -2.355   3.800
 1065    HB1  ALA 141           HB3      ALA 141  17.698  -3.386   2.543
 1066    HB2  ALA 141           HB1      ALA 141  18.390  -2.347   3.807
 1067    HB3  ALA 141           HB2      ALA 141  18.365  -4.109   4.019
 1068    H    ASP 142           H        ASP 142  16.611  -5.447   5.533
 1069    HA   ASP 142           HA       ASP 142  15.239  -7.160   3.789
 1070    HB2  ASP 142           HB2      ASP 142  16.528  -8.126   5.546
 1071    HB3  ASP 142           HB3      ASP 142  15.629  -7.251   6.781
 1072    H    ILE 143           H        ILE 143  13.914  -5.276   6.590
 1073    HA   ILE 143           HA       ILE 143  11.267  -6.254   6.294
 1074    HB   ILE 143           HB       ILE 143  12.614  -3.941   7.712
 1075   HG12  ILE 143          HG12      ILE 143  11.195  -6.433   8.790
 1076   HG13  ILE 143          HG13      ILE 143  12.912  -6.390   8.421
 1077   HG21  ILE 143          HG21      ILE 143   9.668  -4.660   7.820
 1078   HG22  ILE 143          HG22      ILE 143  10.508  -3.562   8.944
 1079   HG23  ILE 143          HG23      ILE 143  10.393  -3.137   7.238
 1080   HD11  ILE 143          HD13      ILE 143  11.490  -4.847  10.605
 1081   HD12  ILE 143          HD11      ILE 143  12.775  -6.059  10.727
 1082   HD13  ILE 143          HD12      ILE 143  13.157  -4.476  10.063
 1083    H    ILE 144           H        ILE 144  12.957  -3.418   4.932
 1084    HA   ILE 144           HA       ILE 144  10.700  -2.331   3.535
 1085    HB   ILE 144           HB       ILE 144  13.668  -2.345   2.834
 1086   HG12  ILE 144          HG12      ILE 144  13.321  -1.012   4.775
 1087   HG13  ILE 144          HG13      ILE 144  13.540   0.081   3.420
 1088   HG21  ILE 144          HG21      ILE 144  11.476  -0.827   1.380
 1089   HG22  ILE 144          HG22      ILE 144  13.219  -0.548   1.207
 1090   HG23  ILE 144          HG23      ILE 144  12.529  -2.088   0.719
 1091   HD11  ILE 144          HD13      ILE 144  10.964   0.197   3.300
 1092   HD12  ILE 144          HD11      ILE 144  11.002  -0.579   4.899
 1093   HD13  ILE 144          HD12      ILE 144  11.773   0.997   4.665
 1094    H    SER 145           H        SER 145  13.107  -4.754   2.501
 1095    HA   SER 145           HA       SER 145  12.020  -4.983  -0.058
 1096    HB2  SER 145           HB2      SER 145  13.446  -6.917  -0.351
 1097    HB3  SER 145           HB3      SER 145  14.295  -5.681   0.589
 1098    HG   SER 145           HG       SER 145  13.422  -7.022   2.477
 1099    H    ARG 146           H        ARG 146  11.139  -6.669   2.896
 1100    HA   ARG 146           HA       ARG 146   9.576  -8.751   2.006
 1101    HB2  ARG 146           HB2      ARG 146  10.359  -7.637   4.405
 1102    HB3  ARG 146           HB3      ARG 146   8.667  -7.138   4.382
 1103    HG2  ARG 146           HG2      ARG 146   8.048  -9.533   3.967
 1104    HG3  ARG 146           HG3      ARG 146   9.777  -9.952   4.073
 1105    HD2  ARG 146           HD2      ARG 146   8.242  -8.507   6.272
 1106    HD3  ARG 146           HD3      ARG 146   8.389 -10.278   6.199
 1107    HE   ARG 146           HE       ARG 146  10.994  -9.116   6.053
 1108   HH11  ARG 146          HH11      ARG 146   8.360  -9.701   8.371
 1109   HH12  ARG 146          HH12      ARG 146   9.428  -9.753   9.747
 1110   HH21  ARG 146          HH21      ARG 146  12.377  -9.186   7.901
 1111   HH22  ARG 146          HH22      ARG 146  11.689  -9.464   9.483
 1112    H    GLY 147           H        GLY 147   8.855  -5.322   1.857
 1113    HA2  GLY 147           HA2      GLY 147   5.932  -5.686   1.720
 1114    HA3  GLY 147           HA3      GLY 147   6.851  -4.174   1.651
  Start of MODEL    6
    1    H    MET   1           H1       MET   1   1.926  -1.258  -0.958
    2    HA   MET   1           HA       MET   1   2.634  -1.836  -3.760
    3    HB2  MET   1           HB2      MET   1   2.170   0.678  -3.212
    4    HB3  MET   1           HB3      MET   1   3.595   0.567  -2.149
    5    HG2  MET   1           HG2      MET   1   3.983   1.526  -4.450
    6    HG3  MET   1           HG3      MET   1   5.066   0.245  -3.943
    7    HE1  MET   1           HE3      MET   1   5.026  -0.301  -7.770
    8    HE2  MET   1           HE1      MET   1   5.028   1.233  -6.874
    9    HE3  MET   1           HE2      MET   1   6.019  -0.131  -6.306
   10    H    ARG   2           H        ARG   2   4.875  -2.165  -4.155
   11    HA   ARG   2           HA       ARG   2   6.168  -3.501  -1.948
   12    HB2  ARG   2           HB2      ARG   2   7.192  -2.718  -4.702
   13    HB3  ARG   2           HB3      ARG   2   8.163  -3.579  -3.494
   14    HG2  ARG   2           HG2      ARG   2   5.573  -4.535  -4.743
   15    HG3  ARG   2           HG3      ARG   2   7.206  -5.169  -5.046
   16    HD2  ARG   2           HD2      ARG   2   7.228  -5.751  -2.528
   17    HD3  ARG   2           HD3      ARG   2   5.479  -5.409  -2.566
   18    HE   ARG   2           HE       ARG   2   6.112  -7.205  -4.668
   19   HH11  ARG   2          HH11      ARG   2   5.850  -7.190  -1.099
   20   HH12  ARG   2          HH12      ARG   2   5.580  -8.896  -1.004
   21   HH21  ARG   2          HH21      ARG   2   5.718  -9.458  -4.503
   22   HH22  ARG   2          HH22      ARG   2   5.479 -10.200  -2.969
   23    H    LEU   3           H        LEU   3   7.033  -2.577  -0.385
   24    HA   LEU   3           HA       LEU   3   7.270   0.230   0.030
   25    HB2  LEU   3           HB2      LEU   3   8.341  -2.248   1.389
   26    HB3  LEU   3           HB3      LEU   3   8.990  -0.695   1.867
   27    HG   LEU   3           HG       LEU   3   7.139  -1.584   3.282
   28   HD11  LEU   3          HD11      LEU   3   7.827   0.776   3.306
   29   HD12  LEU   3          HD12      LEU   3   6.675   1.150   2.003
   30   HD13  LEU   3          HD13      LEU   3   6.101   0.586   3.582
   31   HD21  LEU   3          HD23      LEU   3   5.270  -0.759   1.031
   32   HD22  LEU   3          HD21      LEU   3   5.629  -2.430   1.476
   33   HD23  LEU   3          HD22      LEU   3   4.831  -1.360   2.636
   34    H    SER   4           H        SER   4   9.670  -2.208  -1.010
   35    HA   SER   4           HA       SER   4  11.965  -0.743  -0.925
   36    HB2  SER   4           HB2      SER   4  11.496  -2.579  -3.256
   37    HB3  SER   4           HB3      SER   4  12.857  -2.520  -2.118
   38    HG   SER   4           HG       SER   4  11.473  -4.364  -1.899
   39    H    ASP   5           H        ASP   5   9.283  -0.154  -3.150
   40    HA   ASP   5           HA       ASP   5  10.823   1.144  -5.196
   41    HB2  ASP   5           HB2      ASP   5   8.533   0.285  -5.562
   42    HB3  ASP   5           HB3      ASP   5   7.905   1.472  -4.411
   43    H    TYR   6           H        TYR   6   9.529   2.178  -2.067
   44    HA   TYR   6           HA       TYR   6   9.683   5.017  -2.786
   45    HB2  TYR   6           HB2      TYR   6   8.729   3.552  -0.302
   46    HB3  TYR   6           HB3      TYR   6   8.892   5.299  -0.379
   47    HD1  TYR   6           HD2      TYR   6   7.543   6.708  -1.817
   48    HD2  TYR   6           HD1      TYR   6   6.811   2.449  -1.518
   49    HE1  TYR   6           HE2      TYR   6   5.391   6.985  -3.020
   50    HE2  TYR   6           HE1      TYR   6   4.629   2.757  -2.608
   51    HH   TYR   6           HH       TYR   6   3.160   4.247  -3.651
   52    H    PHE   7           H        PHE   7  11.773   2.745  -1.080
   53    HA   PHE   7           HA       PHE   7  13.376   4.986   0.065
   54    HB2  PHE   7           HB2      PHE   7  13.719   1.971   0.388
   55    HB3  PHE   7           HB3      PHE   7  14.674   3.220   1.178
   56    HD1  PHE   7           HD1      PHE   7  11.144   1.993   0.819
   57    HD2  PHE   7           HD2      PHE   7  14.004   3.830   3.472
   58    HE1  PHE   7           HE1      PHE   7   9.383   2.276   2.508
   59    HE2  PHE   7           HE2      PHE   7  12.193   4.182   5.126
   60    HZ   PHE   7           HZ       PHE   7   9.894   3.412   4.662
   61    HA   PRO   8           HA       PRO   8  14.834   4.537  -4.165
   62    HB2  PRO   8           HB2      PRO   8  16.609   6.635  -4.378
   63    HB3  PRO   8           HB3      PRO   8  14.830   6.756  -4.453
   64    HG2  PRO   8           HG2      PRO   8  16.619   7.297  -2.083
   65    HG3  PRO   8           HG3      PRO   8  15.228   8.258  -2.672
   66    HD2  PRO   8           HD2      PRO   8  15.034   6.448  -0.602
   67    HD3  PRO   8           HD3      PRO   8  13.692   6.750  -1.742
   68    H    GLU   9           H        GLU   9  17.688   5.557  -2.290
   69    HA   GLU   9           HA       GLU   9  18.860   2.946  -2.155
   70    HB2  GLU   9           HB2      GLU   9  19.423   3.950  -4.566
   71    HB3  GLU   9           HB3      GLU   9  20.471   5.038  -3.631
   72    HG2  GLU   9           HG2      GLU   9  21.704   3.107  -2.714
   73    HG3  GLU   9           HG3      GLU   9  20.607   1.994  -3.528
   74    H    SER  10           H        SER  10  20.875   3.162  -0.840
   75    HA   SER  10           HA       SER  10  21.999   3.929   0.873
   76    HB2  SER  10           HB2      SER  10  21.963   6.481  -0.777
   77    HB3  SER  10           HB3      SER  10  23.125   6.132   0.520
   78    HG   SER  10           HG       SER  10  22.750   4.681  -1.898
   79    H    SER  11           H        SER  11  19.059   4.254   1.093
   80    HA   SER  11           HA       SER  11  18.760   6.601   2.899
   81    HB2  SER  11           HB2      SER  11  16.730   5.188   1.127
   82    HB3  SER  11           HB3      SER  11  16.416   6.587   2.161
   83    HG   SER  11           HG       SER  11  18.246   6.492  -0.025
   84    H    ILE  12           H        ILE  12  19.723   3.796   3.634
   85    HA   ILE  12           HA       ILE  12  17.750   3.306   5.761
   86    HB   ILE  12           HB       ILE  12  19.186   1.277   4.013
   87   HG12  ILE  12          HG12      ILE  12  16.314   2.284   4.217
   88   HG13  ILE  12          HG13      ILE  12  17.332   2.144   2.786
   89   HG21  ILE  12          HG21      ILE  12  19.144   0.673   6.390
   90   HG22  ILE  12          HG22      ILE  12  17.397   0.973   6.446
   91   HG23  ILE  12          HG23      ILE  12  18.078  -0.369   5.477
   92   HD11  ILE  12          HD13      ILE  12  15.634   0.486   2.701
   93   HD12  ILE  12          HD11      ILE  12  17.185  -0.329   2.990
   94   HD13  ILE  12          HD12      ILE  12  16.029  -0.075   4.340
   95    H    SER  13           H        SER  13  18.875   3.508   7.710
   96    HA   SER  13           HA       SER  13  21.823   3.136   7.792
   97    HB2  SER  13           HB2      SER  13  20.337   5.662   8.678
   98    HB3  SER  13           HB3      SER  13  22.075   5.365   8.823
   99    HG   SER  13           HG       SER  13  21.552   6.681   7.024
  100    H    VAL  14           H        VAL  14  22.644   2.770   9.808
  101    HA   VAL  14           HA       VAL  14  20.807   2.730  12.148
  102    HB   VAL  14           HB       VAL  14  23.028   0.778  11.469
  103   HG11  VAL  14          HG11      VAL  14  23.032   1.163  13.898
  104   HG12  VAL  14          HG12      VAL  14  21.269   0.938  13.969
  105   HG13  VAL  14          HG13      VAL  14  22.341  -0.423  13.571
  106   HG21  VAL  14          HG23      VAL  14  20.026   0.338  11.804
  107   HG22  VAL  14          HG21      VAL  14  20.933   0.245  10.278
  108   HG23  VAL  14          HG22      VAL  14  21.217  -0.944  11.557
  109    H    ILE  15           H        ILE  15  21.694   3.648  13.941
  110    HA   ILE  15           HA       ILE  15  24.359   4.946  13.833
  111    HB   ILE  15           HB       ILE  15  21.546   6.096  13.913
  112   HG12  ILE  15          HG12      ILE  15  24.053   6.561  12.290
  113   HG13  ILE  15          HG13      ILE  15  22.444   6.076  11.754
  114   HG21  ILE  15          HG21      ILE  15  23.949   7.563  15.012
  115   HG22  ILE  15          HG22      ILE  15  22.328   8.251  14.720
  116   HG23  ILE  15          HG23      ILE  15  22.493   6.989  15.893
  117   HD11  ILE  15          HD13      ILE  15  23.300   8.832  12.758
  118   HD12  ILE  15          HD11      ILE  15  22.849   8.376  11.102
  119   HD13  ILE  15          HD12      ILE  15  21.616   8.387  12.386
  120    H    HIS  16           H        HIS  16  25.189   5.318  16.002
  121    HA   HIS  16           HA       HIS  16  23.975   3.654  18.059
  122    HB2  HIS  16           HB2      HIS  16  26.447   4.059  17.844
  123    HB3  HIS  16           HB3      HIS  16  26.184   5.724  18.378
  124    HD1  HIS  16           HD1      HIS  16  25.361   2.144  19.701
  125    HD2  HIS  16           HD2      HIS  16  26.331   6.047  20.986
  126    HE1  HIS  16           HE1      HIS  16  25.591   2.037  22.246
  127    H    SER  17           H        SER  17  24.248   7.189  17.408
  128    HA   SER  17           HA       SER  17  21.764   7.782  18.690
  129    HB2  SER  17           HB2      SER  17  22.933   9.499  20.251
  130    HB3  SER  17           HB3      SER  17  22.805   7.821  20.786
  131    HG   SER  17           HG       SER  17  24.894   8.710  21.136
  132    H    ALA  18           H        ALA  18  21.132   9.902  18.005
  133    HA   ALA  18           HA       ALA  18  22.756  11.069  15.832
  134    HB1  ALA  18           HB3      ALA  18  20.896  12.738  15.733
  135    HB2  ALA  18           HB1      ALA  18  20.335  11.076  15.511
  136    HB3  ALA  18           HB2      ALA  18  20.101  11.900  17.079
  137    H    LYS  19           H        LYS  19  23.467  13.312  16.021
  138    HA   LYS  19           HA       LYS  19  24.920  13.886  18.356
  139    HB2  LYS  19           HB2      LYS  19  25.211  14.698  15.989
  140    HB3  LYS  19           HB3      LYS  19  24.016  15.944  16.357
  141    HG2  LYS  19           HG2      LYS  19  25.387  16.876  18.148
  142    HG3  LYS  19           HG3      LYS  19  26.449  15.456  18.139
  143    HD2  LYS  19           HD2      LYS  19  27.677  17.098  17.015
  144    HD3  LYS  19           HD3      LYS  19  27.060  15.983  15.789
  145    HE2  LYS  19           HE2      LYS  19  25.040  17.791  15.734
  146    HE3  LYS  19           HE3      LYS  19  26.291  18.856  16.384
  147    HZ1  LYS  19           HZ3      LYS  19  26.280  19.002  14.013
  148    HZ2  LYS  19           HZ1      LYS  19  27.641  18.180  14.393
  149    HZ3  LYS  19           HZ2      LYS  19  26.307  17.376  13.827
  150    H    ASP  20           H        ASP  20  21.744  15.048  17.270
  151    HA   ASP  20           HA       ASP  20  20.613  15.229  19.849
  152    HB2  ASP  20           HB2      ASP  20  20.154  17.485  20.081
  153    HB3  ASP  20           HB3      ASP  20  21.884  17.505  19.714
  154    H    TRP  21           H        TRP  21  18.281  16.492  19.356
  155    HA   TRP  21           HA       TRP  21  17.079  14.936  17.376
  156    HB2  TRP  21           HB2      TRP  21  15.046  16.166  17.851
  157    HB3  TRP  21           HB3      TRP  21  15.880  15.689  19.323
  158    HD1  TRP  21           HD1      TRP  21  16.730  17.625  20.916
  159    HE1  TRP  21           HE1      TRP  21  16.478  20.161  20.960
  160    HE3  TRP  21           HE3      TRP  21  14.637  18.288  16.291
  161    HZ2  TRP  21           HZ2      TRP  21  15.608  22.261  19.138
  162    HZ3  TRP  21           HZ3      TRP  21  14.142  20.570  15.459
  163    HH2  TRP  21           HH2      TRP  21  14.691  22.552  16.841
  164    H    GLN  22           H        GLN  22  18.384  18.288  17.073
  165    HA   GLN  22           HA       GLN  22  17.164  18.955  14.526
  166    HB2  GLN  22           HB2      GLN  22  19.840  19.757  15.698
  167    HB3  GLN  22           HB3      GLN  22  19.103  20.440  14.260
  168    HG2  GLN  22           HG2      GLN  22  17.275  21.383  15.482
  169    HG3  GLN  22           HG3      GLN  22  17.657  20.455  16.933
  170   HE21  GLN  22          HE22      GLN  22  19.781  20.836  17.962
  171   HE22  GLN  22          HE21      GLN  22  20.391  22.496  18.014
  172    H    GLU  23           H        GLU  23  20.321  17.365  15.457
  173    HA   GLU  23           HA       GLU  23  21.055  16.672  12.809
  174    HB2  GLU  23           HB2      GLU  23  22.427  16.604  15.012
  175    HB3  GLU  23           HB3      GLU  23  21.672  15.018  15.268
  176    HG2  GLU  23           HG2      GLU  23  23.666  14.428  14.239
  177    HG3  GLU  23           HG3      GLU  23  22.587  14.459  12.871
  178    H    ALA  24           H        ALA  24  18.960  15.008  15.147
  179    HA   ALA  24           HA       ALA  24  18.824  12.542  13.734
  180    HB1  ALA  24           HB3      ALA  24  17.039  12.001  15.246
  181    HB2  ALA  24           HB1      ALA  24  18.251  12.967  16.124
  182    HB3  ALA  24           HB2      ALA  24  16.737  13.717  15.592
  183    H    ILE  25           H        ILE  25  16.952  15.583  13.370
  184    HA   ILE  25           HA       ILE  25  15.078  14.471  11.460
  185    HB   ILE  25           HB       ILE  25  16.058  17.334  11.611
  186   HG12  ILE  25          HG12      ILE  25  14.615  15.966  13.657
  187   HG13  ILE  25          HG13      ILE  25  15.102  17.644  13.562
  188   HG21  ILE  25          HG21      ILE  25  14.876  16.696   9.530
  189   HG22  ILE  25          HG22      ILE  25  13.484  16.170  10.471
  190   HG23  ILE  25          HG23      ILE  25  13.979  17.884  10.445
  191   HD11  ILE  25          HD13      ILE  25  12.493  16.446  12.597
  192   HD12  ILE  25          HD11      ILE  25  12.737  17.454  14.033
  193   HD13  ILE  25          HD12      ILE  25  12.930  18.170  12.424
  194    H    ASP  26           H        ASP  26  18.265  16.177  11.192
  195    HA   ASP  26           HA       ASP  26  18.438  16.047   8.367
  196    HB2  ASP  26           HB2      ASP  26  19.995  17.386   9.661
  197    HB3  ASP  26           HB3      ASP  26  20.680  15.945  10.411
  198    H    PHE  27           H        PHE  27  19.498  13.632  10.832
  199    HA   PHE  27           HA       PHE  27  20.195  11.670   8.879
  200    HB2  PHE  27           HB2      PHE  27  19.703  11.590  11.868
  201    HB3  PHE  27           HB3      PHE  27  19.980  10.120  10.955
  202    HD1  PHE  27           HD1      PHE  27  22.031  10.467   9.111
  203    HD2  PHE  27           HD2      PHE  27  21.770  12.258  13.061
  204    HE1  PHE  27           HE1      PHE  27  24.491  10.628   9.219
  205    HE2  PHE  27           HE2      PHE  27  24.220  12.338  13.154
  206    HZ   PHE  27           HZ       PHE  27  25.596  11.553  11.247
  207    H    SER  28           H        SER  28  17.009  12.709   9.846
  208    HA   SER  28           HA       SER  28  15.749  10.195   8.957
  209    HB2  SER  28           HB2      SER  28  14.485  12.945   9.474
  210    HB3  SER  28           HB3      SER  28  13.631  11.444   9.221
  211    HG   SER  28           HG       SER  28  15.510  11.942  11.319
  212    H    MET  29           H        MET  29  17.007  13.144   7.502
  213    HA   MET  29           HA       MET  29  15.420  12.585   5.019
  214    HB2  MET  29           HB2      MET  29  16.527  15.222   5.951
  215    HB3  MET  29           HB3      MET  29  15.254  14.912   4.763
  216    HG2  MET  29           HG2      MET  29  14.637  14.175   7.596
  217    HG3  MET  29           HG3      MET  29  14.813  15.867   7.203
  218    HE1  MET  29           HE3      MET  29  11.471  13.081   5.860
  219    HE2  MET  29           HE1      MET  29  13.184  12.679   5.511
  220    HE3  MET  29           HE2      MET  29  12.612  12.829   7.203
  221    H    VAL  30           H        VAL  30  18.747  13.035   6.115
  222    HA   VAL  30           HA       VAL  30  19.786  14.464   4.046
  223    HB   VAL  30           HB       VAL  30  20.985  13.966   6.083
  224   HG11  VAL  30          HG11      VAL  30  22.139  11.859   6.511
  225   HG12  VAL  30          HG12      VAL  30  20.402  11.558   6.382
  226   HG13  VAL  30          HG13      VAL  30  21.478  11.145   5.027
  227   HG21  VAL  30          HG23      VAL  30  22.599  13.008   3.690
  228   HG22  VAL  30          HG21      VAL  30  22.256  14.701   4.095
  229   HG23  VAL  30          HG22      VAL  30  23.225  13.708   5.198
  230    H    SER  31           H        SER  31  19.228  10.896   3.923
  231    HA   SER  31           HA       SER  31  20.679  10.567   1.523
  232    HB2  SER  31           HB2      SER  31  18.306   8.958   2.556
  233    HB3  SER  31           HB3      SER  31  19.552   8.415   1.415
  234    HG   SER  31           HG       SER  31  20.611   7.833   3.079
  235    H    LEU  32           H        LEU  32  17.397  11.745   2.097
  236    HA   LEU  32           HA       LEU  32  16.597  11.609  -0.725
  237    HB2  LEU  32           HB2      LEU  32  15.415  12.922   1.769
  238    HB3  LEU  32           HB3      LEU  32  14.687  13.095   0.194
  239    HG   LEU  32           HG       LEU  32  15.208  10.383   1.456
  240   HD11  LEU  32          HD11      LEU  32  13.739  11.639   2.950
  241   HD12  LEU  32          HD12      LEU  32  12.681  12.072   1.589
  242   HD13  LEU  32          HD13      LEU  32  12.817  10.383   2.113
  243   HD21  LEU  32          HD23      LEU  32  14.825  10.408  -1.027
  244   HD22  LEU  32          HD21      LEU  32  13.621   9.518  -0.118
  245   HD23  LEU  32          HD22      LEU  32  13.233  11.141  -0.724
  246    H    LEU  33           H        LEU  33  17.847  14.008   1.645
  247    HA   LEU  33           HA       LEU  33  17.709  16.274   0.029
  248    HB2  LEU  33           HB2      LEU  33  18.258  16.249   2.442
  249    HB3  LEU  33           HB3      LEU  33  19.828  15.544   2.077
  250    HG   LEU  33           HG       LEU  33  20.483  17.574   0.818
  251   HD11  LEU  33          HD11      LEU  33  17.789  18.664   1.730
  252   HD12  LEU  33          HD12      LEU  33  19.103  19.610   0.995
  253   HD13  LEU  33          HD13      LEU  33  18.300  18.373   0.054
  254   HD21  LEU  33          HD23      LEU  33  20.792  18.983   2.779
  255   HD22  LEU  33          HD21      LEU  33  19.536  18.079   3.657
  256   HD23  LEU  33          HD22      LEU  33  21.044  17.285   3.178
  257    H    ASP  34           H        ASP  34  20.354  13.885   0.385
  258    HA   ASP  34           HA       ASP  34  22.256  15.055  -1.298
  259    HB2  ASP  34           HB2      ASP  34  22.623  13.071   0.252
  260    HB3  ASP  34           HB3      ASP  34  21.675  12.067  -0.862
  261    H    LYS  35           H        LYS  35  19.547  13.020  -2.069
  262    HA   LYS  35           HA       LYS  35  20.306  12.845  -4.943
  263    HB2  LYS  35           HB2      LYS  35  18.387  11.329  -3.195
  264    HB3  LYS  35           HB3      LYS  35  18.466  11.201  -4.985
  265    HG2  LYS  35           HG2      LYS  35  20.949  10.844  -4.780
  266    HG3  LYS  35           HG3      LYS  35  20.771  10.760  -3.023
  267    HD2  LYS  35           HD2      LYS  35  19.231   9.070  -4.969
  268    HD3  LYS  35           HD3      LYS  35  20.855   8.617  -4.411
  269    HE2  LYS  35           HE2      LYS  35  18.344   8.874  -2.694
  270    HE3  LYS  35           HE3      LYS  35  19.214   7.377  -3.112
  271    HZ1  LYS  35           HZ3      LYS  35  19.899   7.841  -1.036
  272    HZ2  LYS  35           HZ1      LYS  35  21.143   8.469  -1.901
  273    HZ3  LYS  35           HZ2      LYS  35  19.997   9.477  -1.247
  274    H    ASN  36           H        ASN  36  19.195  15.269  -3.338
  275    HA   ASN  36           HA       ASN  36  17.643  16.831  -3.450
  276    HB2  ASN  36           HB2      ASN  36  17.278  17.918  -5.666
  277    HB3  ASN  36           HB3      ASN  36  18.918  17.743  -5.092
  278   HD21  ASN  36          HD22      ASN  36  20.271  16.127  -6.006
  279   HD22  ASN  36          HD21      ASN  36  20.027  15.580  -7.655
  280    H    TYR  37           H        TYR  37  16.366  14.412  -2.973
  281    HA   TYR  37           HA       TYR  37  13.801  14.428  -4.423
  282    HB2  TYR  37           HB2      TYR  37  14.896  13.020  -1.971
  283    HB3  TYR  37           HB3      TYR  37  13.176  13.066  -2.263
  284    HD1  TYR  37           HD1      TYR  37  16.417  11.914  -3.852
  285    HD2  TYR  37           HD2      TYR  37  12.150  11.367  -3.493
  286    HE1  TYR  37           HE1      TYR  37  16.533  10.030  -5.436
  287    HE2  TYR  37           HE2      TYR  37  12.282   9.463  -5.076
  288    HH   TYR  37           HH       TYR  37  13.625   8.223  -6.506
  289    H    ILE  38           H        ILE  38  15.361  16.273  -1.976
  290    HA   ILE  38           HA       ILE  38  12.963  17.901  -1.485
  291    HB   ILE  38           HB       ILE  38  13.478  17.928   0.946
  292   HG12  ILE  38          HG12      ILE  38  15.364  15.606   0.347
  293   HG13  ILE  38          HG13      ILE  38  15.857  17.243   0.801
  294   HG21  ILE  38          HG21      ILE  38  12.879  15.090   0.020
  295   HG22  ILE  38          HG22      ILE  38  12.401  15.843   1.547
  296   HG23  ILE  38          HG23      ILE  38  11.705  16.425   0.044
  297   HD11  ILE  38          HD13      ILE  38  14.366  15.287   2.563
  298   HD12  ILE  38          HD11      ILE  38  16.062  15.785   2.656
  299   HD13  ILE  38          HD12      ILE  38  14.779  16.974   2.993
  300    H    SER  39           H        SER  39  13.673  19.963  -0.376
  301    HA   SER  39           HA       SER  39  16.400  20.837  -1.193
  302    HB2  SER  39           HB2      SER  39  15.471  23.109  -0.637
  303    HB3  SER  39           HB3      SER  39  14.642  22.294  -1.970
  304    HG   SER  39           HG       SER  39  12.944  21.845  -0.682
  305    H    GLU  40           H        GLU  40  17.588  22.182   0.502
  306    HA   GLU  40           HA       GLU  40  17.836  20.833   3.001
  307    HB2  GLU  40           HB2      GLU  40  18.640  23.664   2.198
  308    HB3  GLU  40           HB3      GLU  40  19.171  22.832   3.665
  309    HG2  GLU  40           HG2      GLU  40  20.272  21.085   2.291
  310    HG3  GLU  40           HG3      GLU  40  19.758  21.902   0.819
  311    H    ASN  41           H        ASN  41  15.845  23.654   2.071
  312    HA   ASN  41           HA       ASN  41  15.155  24.316   4.761
  313    HB2  ASN  41           HB2      ASN  41  14.132  26.046   3.894
  314    HB3  ASN  41           HB3      ASN  41  14.714  25.544   2.310
  315   HD21  ASN  41          HD21      ASN  41  13.073  23.859   1.123
  316   HD22  ASN  41          HD22      ASN  41  11.382  24.207   1.441
  317    H    TYR  42           H        TYR  42  14.027  21.669   2.763
  318    HA   TYR  42           HA       TYR  42  11.463  21.271   3.987
  319    HB2  TYR  42           HB2      TYR  42  12.309  20.194   1.882
  320    HB3  TYR  42           HB3      TYR  42  13.429  19.249   2.855
  321    HD1  TYR  42           HD2      TYR  42   9.856  19.741   1.993
  322    HD2  TYR  42           HD1      TYR  42  12.718  17.309   4.120
  323    HE1  TYR  42           HE2      TYR  42   8.189  17.916   2.155
  324    HE2  TYR  42           HE1      TYR  42  11.059  15.477   4.252
  325    HH   TYR  42           HH       TYR  42   8.959  14.714   3.615
  326    H    ILE  43           H        ILE  43  14.790  20.165   4.803
  327    HA   ILE  43           HA       ILE  43  14.111  18.628   7.102
  328    HB   ILE  43           HB       ILE  43  16.656  20.149   6.332
  329   HG12  ILE  43          HG12      ILE  43  17.268  17.485   6.191
  330   HG13  ILE  43          HG13      ILE  43  15.559  17.425   5.752
  331   HG21  ILE  43          HG21      ILE  43  16.317  18.082   8.538
  332   HG22  ILE  43          HG22      ILE  43  17.845  18.802   7.989
  333   HG23  ILE  43          HG23      ILE  43  16.631  19.823   8.762
  334   HD11  ILE  43          HD13      ILE  43  17.661  19.170   4.424
  335   HD12  ILE  43          HD11      ILE  43  17.089  17.605   3.820
  336   HD13  ILE  43          HD12      ILE  43  15.971  18.977   3.897
  337    H    GLN  44           H        GLN  44  15.016  22.137   6.796
  338    HA   GLN  44           HA       GLN  44  14.684  22.486   9.609
  339    HB2  GLN  44           HB2      GLN  44  16.063  23.916   7.878
  340    HB3  GLN  44           HB3      GLN  44  14.566  24.830   7.727
  341    HG2  GLN  44           HG2      GLN  44  15.989  25.891   9.400
  342    HG3  GLN  44           HG3      GLN  44  14.592  25.209  10.218
  343   HE21  GLN  44          HE22      GLN  44  15.318  24.494  12.273
  344   HE22  GLN  44          HE21      GLN  44  16.696  23.447  12.502
  345    H    ALA  45           H        ALA  45  12.337  22.635   6.980
  346    HA   ALA  45           HA       ALA  45  10.285  24.026   8.302
  347    HB1  ALA  45           HB3      ALA  45   8.727  22.826   6.845
  348    HB2  ALA  45           HB1      ALA  45  10.166  23.295   5.915
  349    HB3  ALA  45           HB2      ALA  45   9.938  21.611   6.457
  350    H    ILE  46           H        ILE  46  11.273  20.558   8.517
  351    HA   ILE  46           HA       ILE  46   9.118  19.795  10.257
  352    HB   ILE  46           HB       ILE  46  11.839  18.513   9.838
  353   HG12  ILE  46          HG12      ILE  46   9.164  17.858   8.526
  354   HG13  ILE  46          HG13      ILE  46  10.472  18.719   7.731
  355   HG21  ILE  46          HG21      ILE  46  10.921  16.532  10.826
  356   HG22  ILE  46          HG22      ILE  46  10.537  17.822  11.947
  357   HG23  ILE  46          HG23      ILE  46   9.279  17.208  10.858
  358   HD11  ILE  46          HD13      ILE  46  10.615  15.836   8.678
  359   HD12  ILE  46          HD11      ILE  46  10.536  16.420   7.016
  360   HD13  ILE  46          HD12      ILE  46  11.965  16.772   8.016
  361    H    LYS  47           H        LYS  47  12.545  20.785  10.773
  362    HA   LYS  47           HA       LYS  47  12.524  20.453  13.573
  363    HB2  LYS  47           HB2      LYS  47  14.076  22.363  11.797
  364    HB3  LYS  47           HB3      LYS  47  14.433  22.137  13.509
  365    HG2  LYS  47           HG2      LYS  47  15.081  19.848  13.189
  366    HG3  LYS  47           HG3      LYS  47  14.492  19.832  11.512
  367    HD2  LYS  47           HD2      LYS  47  16.143  21.488  10.867
  368    HD3  LYS  47           HD3      LYS  47  16.741  21.585  12.552
  369    HE2  LYS  47           HE2      LYS  47  17.439  19.258  12.412
  370    HE3  LYS  47           HE3      LYS  47  16.886  19.147  10.746
  371    HZ1  LYS  47           HZ3      LYS  47  18.534  20.886  10.175
  372    HZ2  LYS  47           HZ1      LYS  47  19.052  20.953  11.714
  373    HZ3  LYS  47           HZ2      LYS  47  19.270  19.592  10.851
  374    H    ASP  48           H        ASP  48  11.527  23.310  11.603
  375    HA   ASP  48           HA       ASP  48  11.216  25.125  13.727
  376    HB2  ASP  48           HB2      ASP  48  11.148  25.818  11.399
  377    HB3  ASP  48           HB3      ASP  48   9.673  24.887  11.121
  378    H    SER  49           H        SER  49   8.719  22.852  12.355
  379    HA   SER  49           HA       SER  49   6.775  23.549  14.346
  380    HB2  SER  49           HB2      SER  49   7.046  21.021  12.708
  381    HB3  SER  49           HB3      SER  49   5.602  21.541  13.599
  382    HG   SER  49           HG       SER  49   5.458  22.183  11.421
  383    H    THR  50           H        THR  50   9.495  21.258  14.316
  384    HA   THR  50           HA       THR  50   8.723  19.803  16.633
  385    HB   THR  50           HB       THR  50  11.518  20.306  15.574
  386    HG1  THR  50           HG1      THR  50  10.136  19.376  14.013
  387   HG21  THR  50          HG23      THR  50  10.412  18.058  17.296
  388   HG22  THR  50          HG21      THR  50  12.053  18.163  16.618
  389   HG23  THR  50          HG22      THR  50  11.534  19.331  17.836
  390    H    ILE  51           H        ILE  51  10.579  22.882  16.239
  391    HA   ILE  51           HA       ILE  51  11.000  23.289  19.057
  392    HB   ILE  51           HB       ILE  51  10.841  25.252  16.724
  393   HG12  ILE  51          HG12      ILE  51  13.300  24.202  18.193
  394   HG13  ILE  51          HG13      ILE  51  12.677  23.481  16.717
  395   HG21  ILE  51          HG21      ILE  51  10.423  26.474  18.832
  396   HG22  ILE  51          HG22      ILE  51  11.875  25.748  19.554
  397   HG23  ILE  51          HG23      ILE  51  12.001  26.882  18.194
  398   HD11  ILE  51          HD13      ILE  51  14.480  24.929  16.109
  399   HD12  ILE  51          HD11      ILE  51  12.971  25.654  15.522
  400   HD13  ILE  51          HD12      ILE  51  13.776  26.299  16.975
  401    H    ASN  52           H        ASN  52   8.439  24.387  16.775
  402    HA   ASN  52           HA       ASN  52   7.145  26.092  18.648
  403    HB2  ASN  52           HB2      ASN  52   6.330  24.853  16.000
  404    HB3  ASN  52           HB3      ASN  52   5.134  25.675  16.961
  405   HD21  ASN  52          HD22      ASN  52   8.269  26.219  15.299
  406   HD22  ASN  52          HD21      ASN  52   8.079  27.950  15.190
  407    H    ASN  53           H        ASN  53   6.638  22.661  17.935
  408    HA   ASN  53           HA       ASN  53   4.538  22.482  20.046
  409    HB2  ASN  53           HB2      ASN  53   3.070  22.785  18.318
  410    HB3  ASN  53           HB3      ASN  53   4.222  22.315  17.081
  411   HD21  ASN  53          HD22      ASN  53   4.257  20.245  16.294
  412   HD22  ASN  53          HD21      ASN  53   3.147  18.996  16.803
  413    H    GLY  54           H        GLY  54   6.537  20.646  17.633
  414    HA2  GLY  54           HA2      GLY  54   7.968  18.955  19.028
  415    HA3  GLY  54           HA3      GLY  54   6.384  18.246  19.368
  416    HA   PRO  55           HA       PRO  55   8.485  16.289  15.533
  417    HB2  PRO  55           HB2      PRO  55   6.929  14.195  17.122
  418    HB3  PRO  55           HB3      PRO  55   8.309  13.917  16.005
  419    HG2  PRO  55           HG2      PRO  55   8.755  14.133  18.644
  420    HG3  PRO  55           HG3      PRO  55   9.783  15.030  17.486
  421    HD2  PRO  55           HD2      PRO  55   7.569  16.092  19.229
  422    HD3  PRO  55           HD3      PRO  55   9.106  16.856  18.715
  423    H    TYR  56           H        TYR  56   7.513  16.555  13.664
  424    HA   TYR  56           HA       TYR  56   4.877  17.031  13.087
  425    HB2  TYR  56           HB2      TYR  56   7.287  16.247  11.608
  426    HB3  TYR  56           HB3      TYR  56   5.869  15.579  10.878
  427    HD1  TYR  56           HD1      TYR  56   7.552  18.697  11.761
  428    HD2  TYR  56           HD2      TYR  56   4.141  16.921   9.827
  429    HE1  TYR  56           HE1      TYR  56   7.185  20.803  10.431
  430    HE2  TYR  56           HE2      TYR  56   3.723  19.009   8.570
  431    HH   TYR  56           HH       TYR  56   4.463  21.186   8.137
  432    H    TYR  57           H        TYR  57   6.338  13.718  13.408
  433    HA   TYR  57           HA       TYR  57   3.633  12.629  13.389
  434    HB2  TYR  57           HB2      TYR  57   5.745  11.565  11.544
  435    HB3  TYR  57           HB3      TYR  57   4.196  10.808  11.854
  436    HD1  TYR  57           HD2      TYR  57   2.064  11.825  10.992
  437    HD2  TYR  57           HD1      TYR  57   5.928  13.495  10.074
  438    HE1  TYR  57           HE2      TYR  57   1.040  13.213   9.212
  439    HE2  TYR  57           HE1      TYR  57   4.915  14.954   8.377
  440    HH   TYR  57           HH       TYR  57   1.412  14.871   7.592
  441    H    ILE  58           H        ILE  58   3.432  10.959  14.806
  442    HA   ILE  58           HA       ILE  58   5.741   9.456  15.835
  443    HB   ILE  58           HB       ILE  58   3.738  11.013  17.518
  444   HG12  ILE  58          HG12      ILE  58   5.649  12.380  16.841
  445   HG13  ILE  58          HG13      ILE  58   5.559  12.137  18.572
  446   HG21  ILE  58          HG21      ILE  58   5.692   8.838  18.395
  447   HG22  ILE  58          HG22      ILE  58   4.906   9.973  19.514
  448   HG23  ILE  58          HG23      ILE  58   3.929   8.847  18.570
  449   HD11  ILE  58          HD13      ILE  58   7.479  10.687  16.706
  450   HD12  ILE  58          HD11      ILE  58   7.887  12.011  17.806
  451   HD13  ILE  58          HD12      ILE  58   7.376  10.459  18.467
  452    H    LEU  59           H        LEU  59   5.079   7.334  16.168
  453    HA   LEU  59           HA       LEU  59   2.250   6.707  15.381
  454    HB2  LEU  59           HB2      LEU  59   4.787   5.138  14.748
  455    HB3  LEU  59           HB3      LEU  59   3.158   4.714  14.282
  456    HG   LEU  59           HG       LEU  59   4.222   5.515  12.370
  457   HD11  LEU  59          HD11      LEU  59   1.881   6.248  12.652
  458   HD12  LEU  59          HD12      LEU  59   2.438   7.787  13.337
  459   HD13  LEU  59          HD13      LEU  59   2.804   7.383  11.662
  460   HD21  LEU  59          HD23      LEU  59   5.505   7.424  12.097
  461   HD22  LEU  59          HD21      LEU  59   4.895   8.229  13.527
  462   HD23  LEU  59          HD22      LEU  59   6.017   6.849  13.666
  463    H    ALA  60           H        ALA  60   4.938   5.939  17.501
  464    HA   ALA  60           HA       ALA  60   3.377   4.352  19.329
  465    HB1  ALA  60           HB3      ALA  60   4.876   2.323  19.054
  466    HB2  ALA  60           HB1      ALA  60   3.879   2.610  17.619
  467    HB3  ALA  60           HB2      ALA  60   5.584   3.068  17.613
  468    HA   PRO  61           HA       PRO  61   6.493   6.300  21.784
  469    HB2  PRO  61           HB2      PRO  61   7.251   4.428  23.701
  470    HB3  PRO  61           HB3      PRO  61   5.759   5.414  23.745
  471    HG2  PRO  61           HG2      PRO  61   6.093   2.573  22.756
  472    HG3  PRO  61           HG3      PRO  61   4.798   3.243  23.797
  473    HD2  PRO  61           HD2      PRO  61   4.426   2.871  21.141
  474    HD3  PRO  61           HD3      PRO  61   3.754   4.312  21.956
  475    H    GLY  62           H        GLY  62   8.395   6.789  20.883
  476    HA2  GLY  62           HA2      GLY  62  10.658   6.496  20.540
  477    HA3  GLY  62           HA3      GLY  62  10.510   4.739  20.604
  478    H    VAL  63           H        VAL  63   8.086   6.085  18.536
  479    HA   VAL  63           HA       VAL  63   9.782   5.531  16.143
  480    HB   VAL  63           HB       VAL  63   6.929   4.612  16.640
  481   HG11  VAL  63          HG11      VAL  63   7.494   5.008  14.254
  482   HG12  VAL  63          HG12      VAL  63   8.879   3.914  14.408
  483   HG13  VAL  63          HG13      VAL  63   7.219   3.301  14.593
  484   HG21  VAL  63          HG23      VAL  63   7.884   2.306  16.728
  485   HG22  VAL  63          HG21      VAL  63   9.521   2.999  16.730
  486   HG23  VAL  63          HG22      VAL  63   8.408   3.289  18.086
  487    H    ALA  64           H        ALA  64   9.761   7.133  14.739
  488    HA   ALA  64           HA       ALA  64   7.506   9.076  14.657
  489    HB1  ALA  64           HB3      ALA  64   9.126  10.861  14.296
  490    HB2  ALA  64           HB1      ALA  64   9.558  10.022  15.793
  491    HB3  ALA  64           HB2      ALA  64  10.466   9.703  14.293
  492    H    MET  65           H        MET  65   7.525  10.280  12.538
  493    HA   MET  65           HA       MET  65   8.828   8.834  10.341
  494    HB2  MET  65           HB2      MET  65   6.798   7.667  10.471
  495    HB3  MET  65           HB3      MET  65   5.860   9.174  10.598
  496    HG2  MET  65           HG2      MET  65   6.913   9.507   8.115
  497    HG3  MET  65           HG3      MET  65   6.975   7.754   8.218
  498    HE1  MET  65           HE3      MET  65   5.031   6.315   8.911
  499    HE2  MET  65           HE1      MET  65   4.399   7.296  10.245
  500    HE3  MET  65           HE2      MET  65   3.300   6.776   8.958
  501    HA   PRO  66           HA       PRO  66   8.584  13.443  10.458
  502    HB2  PRO  66           HB2      PRO  66  11.454  13.248   9.434
  503    HB3  PRO  66           HB3      PRO  66  10.775  14.367  10.656
  504    HG2  PRO  66           HG2      PRO  66  12.236  12.244  11.457
  505    HG3  PRO  66           HG3      PRO  66  10.729  12.669  12.322
  506    HD2  PRO  66           HD2      PRO  66  11.105  10.567  10.164
  507    HD3  PRO  66           HD3      PRO  66  10.307  10.416  11.755
  508    H    HIS  67           H        HIS  67   8.476  14.932   8.735
  509    HA   HIS  67           HA       HIS  67   8.754  14.604   5.961
  510    HB2  HIS  67           HB2      HIS  67   7.286  12.750   5.864
  511    HB3  HIS  67           HB3      HIS  67   6.305  13.316   7.192
  512    HD1  HIS  67           HD1      HIS  67   4.174  14.797   6.609
  513    HD2  HIS  67           HD2      HIS  67   6.620  13.791   3.321
  514    HE1  HIS  67           HE1      HIS  67   2.896  15.429   4.535
  515    H    ALA  68           H        ALA  68   7.582  16.402   4.912
  516    HA   ALA  68           HA       ALA  68   6.047  18.240   6.615
  517    HB1  ALA  68           HB3      ALA  68   8.307  19.223   6.673
  518    HB2  ALA  68           HB1      ALA  68   8.409  19.129   4.901
  519    HB3  ALA  68           HB2      ALA  68   7.220  20.196   5.675
  520    H    ARG  69           H        ARG  69   4.588  19.508   5.226
  521    HA   ARG  69           HA       ARG  69   3.455  17.889   3.221
  522    HB2  ARG  69           HB2      ARG  69   3.191  20.853   3.862
  523    HB3  ARG  69           HB3      ARG  69   2.250  20.128   2.557
  524    HG2  ARG  69           HG2      ARG  69   2.191  19.118   5.437
  525    HG3  ARG  69           HG3      ARG  69   1.064  20.322   4.804
  526    HD2  ARG  69           HD2      ARG  69   0.083  18.783   3.265
  527    HD3  ARG  69           HD3      ARG  69   1.397  17.619   3.473
  528    HE   ARG  69           HE       ARG  69  -0.170  18.248   5.879
  529   HH11  ARG  69          HH11      ARG  69   0.190  16.046   3.124
  530   HH12  ARG  69          HH12      ARG  69  -0.347  14.641   3.976
  531   HH21  ARG  69          HH21      ARG  69  -1.083  16.419   6.968
  532   HH22  ARG  69          HH22      ARG  69  -1.243  14.910   6.153
  533    HA   PRO  70           HA       PRO  70   5.945  18.050  -0.315
  534    HB2  PRO  70           HB2      PRO  70   3.421  19.020  -1.751
  535    HB3  PRO  70           HB3      PRO  70   4.632  17.862  -2.345
  536    HG2  PRO  70           HG2      PRO  70   2.350  16.967  -1.205
  537    HG3  PRO  70           HG3      PRO  70   3.902  16.204  -0.735
  538    HD2  PRO  70           HD2      PRO  70   2.262  18.221   0.776
  539    HD3  PRO  70           HD3      PRO  70   3.233  16.843   1.381
  540    H    GLU  71           H        GLU  71   3.678  20.826  -0.182
  541    HA   GLU  71           HA       GLU  71   5.036  22.620  -1.833
  542    HB2  GLU  71           HB2      GLU  71   3.227  23.289   0.528
  543    HB3  GLU  71           HB3      GLU  71   3.545  24.296  -0.890
  544    HG2  GLU  71           HG2      GLU  71   2.499  22.466  -2.312
  545    HG3  GLU  71           HG3      GLU  71   2.031  21.652  -0.811
  546    H    CYS  72           H        CYS  72   6.055  21.600   1.295
  547    HA   CYS  72           HA       CYS  72   7.156  24.154   2.199
  548    HB2  CYS  72           HB2      CYS  72   7.731  21.308   3.153
  549    HB3  CYS  72           HB3      CYS  72   8.202  22.814   3.962
  550    HG   CYS  72           HG       CYS  72   5.255  21.517   3.348
  551    H    GLY  73           H        GLY  73   8.177  21.548   0.071
  552    HA2  GLY  73           HA2      GLY  73  10.253  22.650  -1.173
  553    HA3  GLY  73           HA3      GLY  73  11.035  22.269   0.370
  554    H    ALA  74           H        ALA  74   8.564  20.000  -0.745
  555    HA   ALA  74           HA       ALA  74  10.594  17.915  -1.148
  556    HB1  ALA  74           HB3      ALA  74   7.640  17.924  -1.793
  557    HB2  ALA  74           HB1      ALA  74   8.716  16.515  -1.737
  558    HB3  ALA  74           HB2      ALA  74   8.335  17.385  -0.237
  559    H    LEU  75           H        LEU  75  11.029  16.942  -3.154
  560    HA   LEU  75           HA       LEU  75  10.410  18.565  -5.588
  561    HB2  LEU  75           HB2      LEU  75  13.063  17.322  -4.795
  562    HB3  LEU  75           HB3      LEU  75  12.745  18.155  -6.306
  563    HG   LEU  75           HG       LEU  75  12.664  19.462  -3.546
  564   HD11  LEU  75          HD11      LEU  75  14.802  19.597  -5.711
  565   HD12  LEU  75          HD12      LEU  75  14.797  20.495  -4.174
  566   HD13  LEU  75          HD13      LEU  75  14.934  18.732  -4.169
  567   HD21  LEU  75          HD23      LEU  75  12.583  20.702  -6.340
  568   HD22  LEU  75          HD21      LEU  75  11.237  20.658  -5.183
  569   HD23  LEU  75          HD22      LEU  75  12.683  21.596  -4.805
  570    H    LYS  76           H        LYS  76  11.100  15.371  -4.162
  571    HA   LYS  76           HA       LYS  76   9.816  14.079  -6.457
  572    HB2  LYS  76           HB2      LYS  76  12.399  13.110  -5.247
  573    HB3  LYS  76           HB3      LYS  76  11.568  12.391  -6.621
  574    HG2  LYS  76           HG2      LYS  76  12.203  14.355  -8.004
  575    HG3  LYS  76           HG3      LYS  76  12.944  15.120  -6.583
  576    HD2  LYS  76           HD2      LYS  76  14.476  13.122  -6.373
  577    HD3  LYS  76           HD3      LYS  76  13.878  12.569  -7.954
  578    HE2  LYS  76           HE2      LYS  76  14.658  14.646  -9.007
  579    HE3  LYS  76           HE3      LYS  76  15.047  15.339  -7.428
  580    HZ1  LYS  76           HZ3      LYS  76  16.462  13.083  -8.708
  581    HZ2  LYS  76           HZ1      LYS  76  17.022  14.605  -8.394
  582    HZ3  LYS  76           HZ2      LYS  76  16.734  13.596  -7.158
  583    H    THR  77           H        THR  77   9.019  11.876  -5.816
  584    HA   THR  77           HA       THR  77   8.408  11.800  -3.013
  585    HB   THR  77           HB       THR  77   7.465  10.261  -5.448
  586    HG1  THR  77           HG1      THR  77   6.139  11.807  -5.727
  587   HG21  THR  77          HG23      THR  77   7.079   9.022  -3.329
  588   HG22  THR  77          HG21      THR  77   6.229  10.442  -2.675
  589   HG23  THR  77          HG22      THR  77   5.577   9.553  -4.082
  590    H    GLY  78           H        GLY  78   9.419  10.518  -1.533
  591    HA2  GLY  78           HA2      GLY  78  10.492   7.932  -2.135
  592    HA3  GLY  78           HA3      GLY  78  11.778   9.142  -2.010
  593    H    MET  79           H        MET  79  12.141   7.425  -0.122
  594    HA   MET  79           HA       MET  79  11.136   8.592   2.403
  595    HB2  MET  79           HB2      MET  79  10.974   5.670   1.538
  596    HB3  MET  79           HB3      MET  79  10.864   6.179   3.217
  597    HG2  MET  79           HG2      MET  79   8.860   7.518   2.734
  598    HG3  MET  79           HG3      MET  79   8.923   7.004   1.047
  599    HE1  MET  79           HE3      MET  79   6.097   4.599   1.753
  600    HE2  MET  79           HE1      MET  79   6.142   6.282   2.325
  601    HE3  MET  79           HE2      MET  79   6.803   5.861   0.728
  602    H    SER  80           H        SER  80  12.335   7.469   4.289
  603    HA   SER  80           HA       SER  80  14.871   6.232   3.666
  604    HB2  SER  80           HB2      SER  80  14.791   8.878   5.184
  605    HB3  SER  80           HB3      SER  80  16.203   7.811   5.079
  606    HG   SER  80           HG       SER  80  15.146   8.337   2.634
  607    H    LEU  81           H        LEU  81  15.796   5.274   5.631
  608    HA   LEU  81           HA       LEU  81  13.878   4.891   7.857
  609    HB2  LEU  81           HB2      LEU  81  13.795   3.106   6.111
  610    HB3  LEU  81           HB3      LEU  81  15.530   2.877   6.226
  611    HG   LEU  81           HG       LEU  81  15.377   1.925   8.407
  612   HD11  LEU  81          HD11      LEU  81  13.224   1.568   9.545
  613   HD12  LEU  81          HD12      LEU  81  13.534   3.291   9.387
  614   HD13  LEU  81          HD13      LEU  81  12.408   2.476   8.270
  615   HD21  LEU  81          HD23      LEU  81  14.864   0.569   6.349
  616   HD22  LEU  81          HD21      LEU  81  14.000  -0.063   7.779
  617   HD23  LEU  81          HD22      LEU  81  13.159   0.929   6.575
  618    H    THR  82           H        THR  82  14.902   5.382   9.777
  619    HA   THR  82           HA       THR  82  17.854   4.998   9.973
  620    HB   THR  82           HB       THR  82  16.145   7.396  10.786
  621    HG1  THR  82           HG1      THR  82  17.605   8.382   9.152
  622   HG21  THR  82          HG23      THR  82  17.955   7.067  12.365
  623   HG22  THR  82          HG21      THR  82  19.150   6.925  11.052
  624   HG23  THR  82          HG22      THR  82  18.301   8.469  11.351
  625    H    LEU  83           H        LEU  83  18.471   3.969  11.844
  626    HA   LEU  83           HA       LEU  83  16.533   3.870  14.114
  627    HB2  LEU  83           HB2      LEU  83  16.753   1.672  12.889
  628    HB3  LEU  83           HB3      LEU  83  18.484   1.725  13.242
  629    HG   LEU  83           HG       LEU  83  17.778   1.863  15.747
  630   HD11  LEU  83          HD11      LEU  83  15.642   0.853  16.343
  631   HD12  LEU  83          HD12      LEU  83  15.367   2.319  15.417
  632   HD13  LEU  83          HD13      LEU  83  15.162   0.733  14.631
  633   HD21  LEU  83          HD23      LEU  83  17.580  -0.589  15.895
  634   HD22  LEU  83          HD21      LEU  83  17.243  -0.657  14.155
  635   HD23  LEU  83          HD22      LEU  83  18.830  -0.110  14.735
  636    H    LEU  84           H        LEU  84  17.432   4.330  16.086
  637    HA   LEU  84           HA       LEU  84  20.335   5.012  16.287
  638    HB2  LEU  84           HB2      LEU  84  17.831   6.289  17.395
  639    HB3  LEU  84           HB3      LEU  84  19.391   6.470  18.203
  640    HG   LEU  84           HG       LEU  84  20.337   7.699  16.418
  641   HD11  LEU  84          HD11      LEU  84  17.770   7.204  14.870
  642   HD12  LEU  84          HD12      LEU  84  18.995   8.421  14.432
  643   HD13  LEU  84          HD13      LEU  84  19.420   6.714  14.419
  644   HD21  LEU  84          HD23      LEU  84  18.804   9.670  16.465
  645   HD22  LEU  84          HD21      LEU  84  17.513   8.637  17.090
  646   HD23  LEU  84          HD22      LEU  84  18.982   8.908  18.052
  647    H    GLU  85           H        GLU  85  21.295   3.469  17.605
  648    HA   GLU  85           HA       GLU  85  19.897   1.524  19.074
  649    HB2  GLU  85           HB2      GLU  85  22.740   2.524  19.496
  650    HB3  GLU  85           HB3      GLU  85  22.072   1.049  20.187
  651    HG2  GLU  85           HG2      GLU  85  21.637   0.178  17.887
  652    HG3  GLU  85           HG3      GLU  85  22.466   1.585  17.219
  653    H    GLN  86           H        GLN  86  20.853   4.741  20.117
  654    HA   GLN  86           HA       GLN  86  19.854   4.169  22.878
  655    HB2  GLN  86           HB2      GLN  86  21.589   6.424  21.843
  656    HB3  GLN  86           HB3      GLN  86  21.126   6.188  23.517
  657    HG2  GLN  86           HG2      GLN  86  22.726   4.147  21.910
  658    HG3  GLN  86           HG3      GLN  86  23.437   5.370  22.956
  659   HE21  GLN  86          HE22      GLN  86  21.276   2.448  22.974
  660   HE22  GLN  86          HE21      GLN  86  21.631   2.039  24.634
  661    H    GLY  87           H        GLY  87  18.849   5.573  19.976
  662    HA2  GLY  87           HA2      GLY  87  17.309   7.126  19.360
  663    HA3  GLY  87           HA3      GLY  87  16.607   7.017  20.979
  664    H    VAL  88           H        VAL  88  16.367   9.455  20.102
  665    HA   VAL  88           HA       VAL  88  18.073  10.850  21.966
  666    HB   VAL  88           HB       VAL  88  18.945  10.929  19.361
  667   HG11  VAL  88          HG11      VAL  88  16.926  11.989  18.548
  668   HG12  VAL  88          HG12      VAL  88  17.237  13.410  19.587
  669   HG13  VAL  88          HG13      VAL  88  18.387  12.986  18.312
  670   HG21  VAL  88          HG23      VAL  88  19.228  13.138  21.396
  671   HG22  VAL  88          HG21      VAL  88  20.173  11.625  21.297
  672   HG23  VAL  88          HG22      VAL  88  20.283  12.819  19.996
  673    H    TYR  89           H        TYR  89  17.017  13.112  22.351
  674    HA   TYR  89           HA       TYR  89  14.129  12.475  22.380
  675    HB2  TYR  89           HB2      TYR  89  15.341  12.462  24.549
  676    HB3  TYR  89           HB3      TYR  89  15.607  14.188  24.363
  677    HD1  TYR  89           HD2      TYR  89  12.281  13.104  23.091
  678    HD2  TYR  89           HD1      TYR  89  14.508  14.217  26.649
  679    HE1  TYR  89           HE2      TYR  89  10.215  13.517  24.247
  680    HE2  TYR  89           HE1      TYR  89  12.371  14.671  27.814
  681    HH   TYR  89           HH       TYR  89   9.200  14.351  26.130
  682    H    PHE  90           H        PHE  90  13.033  13.497  20.918
  683    HA   PHE  90           HA       PHE  90  13.590  16.187  19.946
  684    HB2  PHE  90           HB2      PHE  90  11.372  14.137  19.665
  685    HB3  PHE  90           HB3      PHE  90  11.304  15.750  18.953
  686    HD1  PHE  90           HD2      PHE  90  13.842  12.872  18.989
  687    HD2  PHE  90           HD1      PHE  90  11.727  15.851  16.675
  688    HE1  PHE  90           HE2      PHE  90  14.916  12.053  16.938
  689    HE2  PHE  90           HE1      PHE  90  12.765  14.969  14.624
  690    HZ   PHE  90           HZ       PHE  90  14.386  13.096  14.739
  691    HA   PRO  91           HA       PRO  91  11.284  17.941  23.427
  692    HB2  PRO  91           HB2      PRO  91  10.782  20.468  22.478
  693    HB3  PRO  91           HB3      PRO  91  12.400  19.934  23.033
  694    HG2  PRO  91           HG2      PRO  91  11.336  20.007  20.195
  695    HG3  PRO  91           HG3      PRO  91  12.896  20.656  20.803
  696    HD2  PRO  91           HD2      PRO  91  12.735  18.217  19.617
  697    HD3  PRO  91           HD3      PRO  91  13.799  18.477  21.034
  698    H    GLY  92           H        GLY  92   9.044  18.545  23.914
  699    HA2  GLY  92           HA2      GLY  92   6.791  18.706  23.575
  700    HA3  GLY  92           HA3      GLY  92   7.120  19.015  21.865
  701    H    ASN  93           H        ASN  93   8.256  15.988  23.332
  702    HA   ASN  93           HA       ASN  93   5.848  14.496  22.540
  703    HB2  ASN  93           HB2      ASN  93   7.368  14.317  20.608
  704    HB3  ASN  93           HB3      ASN  93   8.696  13.837  21.672
  705   HD21  ASN  93          HD22      ASN  93   9.069  11.667  21.451
  706   HD22  ASN  93          HD21      ASN  93   7.852  10.435  21.237
  707    H    ASP  94           H        ASP  94   5.997  12.247  23.634
  708    HA   ASP  94           HA       ASP  94   6.655  12.824  26.395
  709    HB2  ASP  94           HB2      ASP  94   4.586  11.679  25.747
  710    HB3  ASP  94           HB3      ASP  94   5.515  10.328  25.100
  711    H    GLU  95           H        GLU  95   8.237  10.942  23.864
  712    HA   GLU  95           HA       GLU  95  10.321  10.093  25.785
  713    HB2  GLU  95           HB2      GLU  95   9.914   7.846  25.460
  714    HB3  GLU  95           HB3      GLU  95   8.300   8.493  25.461
  715    HG2  GLU  95           HG2      GLU  95   9.905   7.713  23.004
  716    HG3  GLU  95           HG3      GLU  95   8.640   6.763  23.754
  717    HA   PRO  96           HA       PRO  96  13.088  10.732  22.388
  718    HB2  PRO  96           HB2      PRO  96  15.109   8.930  22.740
  719    HB3  PRO  96           HB3      PRO  96  14.812  10.262  23.897
  720    HG2  PRO  96           HG2      PRO  96  13.942   7.373  24.113
  721    HG3  PRO  96           HG3      PRO  96  14.680   8.409  25.373
  722    HD2  PRO  96           HD2      PRO  96  11.974   7.958  25.125
  723    HD3  PRO  96           HD3      PRO  96  12.641   9.473  25.815
  724    H    ILE  97           H        ILE  97  13.586  10.056  20.282
  725    HA   ILE  97           HA       ILE  97  11.927   7.789  19.308
  726    HB   ILE  97           HB       ILE  97  13.518   9.825  17.704
  727   HG12  ILE  97          HG12      ILE  97  11.989  11.167  18.938
  728   HG13  ILE  97          HG13      ILE  97  11.350  11.001  17.317
  729   HG21  ILE  97          HG21      ILE  97  11.247   7.918  16.960
  730   HG22  ILE  97          HG22      ILE  97  11.949   9.150  15.904
  731   HG23  ILE  97          HG23      ILE  97  12.940   7.798  16.437
  732   HD11  ILE  97          HD13      ILE  97   9.700   9.319  18.145
  733   HD12  ILE  97          HD11      ILE  97  10.368   9.482  19.788
  734   HD13  ILE  97          HD12      ILE  97   9.602  10.865  19.021
  735    H    LYS  98           H        LYS  98  12.797   5.916  18.692
  736    HA   LYS  98           HA       LYS  98  15.762   5.726  18.382
  737    HB2  LYS  98           HB2      LYS  98  13.747   3.487  18.848
  738    HB3  LYS  98           HB3      LYS  98  15.495   3.326  18.654
  739    HG2  LYS  98           HG2      LYS  98  15.665   4.928  20.719
  740    HG3  LYS  98           HG3      LYS  98  13.949   4.587  20.950
  741    HD2  LYS  98           HD2      LYS  98  15.140   3.098  22.364
  742    HD3  LYS  98           HD3      LYS  98  14.557   2.105  21.015
  743    HE2  LYS  98           HE2      LYS  98  16.789   2.218  19.942
  744    HE3  LYS  98           HE3      LYS  98  17.341   3.357  21.169
  745    HZ1  LYS  98           HZ3      LYS  98  18.163   1.255  21.751
  746    HZ2  LYS  98           HZ1      LYS  98  16.985   1.558  22.831
  747    HZ3  LYS  98           HZ2      LYS  98  16.706   0.503  21.609
  748    H    LEU  99           H        LEU  99  12.639   5.469  16.672
  749    HA   LEU  99           HA       LEU  99  14.208   4.660  14.264
  750    HB2  LEU  99           HB2      LEU  99  13.016   2.737  15.361
  751    HB3  LEU  99           HB3      LEU  99  11.496   3.552  15.059
  752    HG   LEU  99           HG       LEU  99  12.168   1.693  13.572
  753   HD11  LEU  99          HD11      LEU  99  10.363   3.107  12.856
  754   HD12  LEU  99          HD12      LEU  99  11.481   4.261  12.111
  755   HD13  LEU  99          HD13      LEU  99  11.336   2.641  11.452
  756   HD21  LEU  99          HD23      LEU  99  13.853   3.433  11.843
  757   HD22  LEU  99          HD21      LEU  99  14.598   2.574  13.201
  758   HD23  LEU  99          HD22      LEU  99  13.770   1.672  11.942
  759    H    LEU 100           H        LEU 100  13.820   5.762  12.496
  760    HA   LEU 100           HA       LEU 100  11.511   7.659  12.454
  761    HB2  LEU 100           HB2      LEU 100  14.291   8.382  11.463
  762    HB3  LEU 100           HB3      LEU 100  12.902   9.418  11.661
  763    HG   LEU 100           HG       LEU 100  13.256   8.413  14.221
  764   HD11  LEU 100          HD11      LEU 100  15.592   8.623  14.853
  765   HD12  LEU 100          HD12      LEU 100  15.395   7.350  13.646
  766   HD13  LEU 100          HD13      LEU 100  16.042   8.933  13.159
  767   HD21  LEU 100          HD23      LEU 100  13.939  10.527  14.958
  768   HD22  LEU 100          HD21      LEU 100  14.593  10.967  13.377
  769   HD23  LEU 100          HD22      LEU 100  12.834  10.798  13.600
  770    H    ILE 101           H        ILE 101  10.320   7.383  10.608
  771    HA   ILE 101           HA       ILE 101  11.743   6.403   8.185
  772    HB   ILE 101           HB       ILE 101   8.832   5.925   8.950
  773   HG12  ILE 101          HG12      ILE 101  11.395   4.380   8.728
  774   HG13  ILE 101          HG13      ILE 101  10.106   4.262   9.901
  775   HG21  ILE 101          HG21      ILE 101  10.134   5.496   6.239
  776   HG22  ILE 101          HG22      ILE 101   8.493   4.992   6.742
  777   HG23  ILE 101          HG23      ILE 101   8.875   6.689   6.622
  778   HD11  ILE 101          HD13      ILE 101   8.726   3.106   8.066
  779   HD12  ILE 101          HD11      ILE 101  10.242   3.108   7.099
  780   HD13  ILE 101          HD12      ILE 101  10.159   2.232   8.635
  781    H    GLY 102           H        GLY 102  12.396   8.032   7.074
  782    HA2  GLY 102           HA2      GLY 102  11.062  10.634   7.014
  783    HA3  GLY 102           HA3      GLY 102  12.418  10.109   6.011
  784    H    LEU 103           H        LEU 103   9.713  11.362   5.286
  785    HA   LEU 103           HA       LEU 103   9.360   9.701   2.887
  786    HB2  LEU 103           HB2      LEU 103   7.470   9.095   4.577
  787    HB3  LEU 103           HB3      LEU 103   6.959  10.759   4.433
  788    HG   LEU 103           HG       LEU 103   6.775   8.489   2.393
  789   HD11  LEU 103          HD11      LEU 103   4.797  10.547   3.527
  790   HD12  LEU 103          HD12      LEU 103   4.406   9.163   2.497
  791   HD13  LEU 103          HD13      LEU 103   4.998   8.897   4.124
  792   HD21  LEU 103          HD23      LEU 103   7.431  10.155   0.942
  793   HD22  LEU 103          HD21      LEU 103   5.692  10.237   0.865
  794   HD23  LEU 103          HD22      LEU 103   6.525  11.459   1.806
  795    H    SER 104           H        SER 104   9.241  11.102   1.112
  796    HA   SER 104           HA       SER 104   8.524  13.927   1.499
  797    HB2  SER 104           HB2      SER 104  10.240  14.650  -0.053
  798    HB3  SER 104           HB3      SER 104  10.997  13.866   1.343
  799    HG   SER 104           HG       SER 104  10.820  13.039  -1.331
  800    H    ALA 105           H        ALA 105   7.347  14.735  -0.384
  801    HA   ALA 105           HA       ALA 105   6.804  12.779  -2.513
  802    HB1  ALA 105           HB3      ALA 105   5.152  12.186  -0.813
  803    HB2  ALA 105           HB1      ALA 105   4.683  13.899  -0.649
  804    HB3  ALA 105           HB2      ALA 105   4.364  13.032  -2.164
  805    H    ALA 106           H        ALA 106   6.426  13.791  -4.427
  806    HA   ALA 106           HA       ALA 106   6.874  16.642  -4.504
  807    HB1  ALA 106           HB3      ALA 106   6.138  14.672  -6.724
  808    HB2  ALA 106           HB1      ALA 106   6.733  16.330  -6.959
  809    HB3  ALA 106           HB2      ALA 106   7.789  15.113  -6.226
  810    H    ASP 107           H        ASP 107   4.026  14.609  -4.393
  811    HA   ASP 107           HA       ASP 107   2.279  16.995  -4.656
  812    HB2  ASP 107           HB2      ASP 107   2.364  15.996  -6.917
  813    HB3  ASP 107           HB3      ASP 107   1.922  14.424  -6.252
  814    H    ALA 108           H        ALA 108   0.148  16.632  -3.683
  815    HA   ALA 108           HA       ALA 108   0.320  15.280  -1.227
  816    HB1  ALA 108           HB3      ALA 108  -1.137  17.229  -1.623
  817    HB2  ALA 108           HB1      ALA 108  -2.152  16.257  -2.719
  818    HB3  ALA 108           HB2      ALA 108  -2.067  15.856  -0.992
  819    H    ASP 109           H        ASP 109  -1.017  14.124  -4.347
  820    HA   ASP 109           HA       ASP 109  -2.242  11.769  -3.083
  821    HB2  ASP 109           HB2      ASP 109  -3.180  12.600  -5.122
  822    HB3  ASP 109           HB3      ASP 109  -1.621  12.430  -5.965
  823    H    SER 110           H        SER 110   0.887  12.586  -4.545
  824    HA   SER 110           HA       SER 110   1.961   9.920  -4.464
  825    HB2  SER 110           HB2      SER 110   3.521  12.524  -4.223
  826    HB3  SER 110           HB3      SER 110   4.088  10.948  -4.775
  827    HG   SER 110           HG       SER 110   3.632  12.270  -6.545
  828    H    HIS 111           H        HIS 111   1.782  12.599  -2.060
  829    HA   HIS 111           HA       HIS 111   3.163  11.282   0.061
  830    HB2  HIS 111           HB2      HIS 111   2.729  13.564   0.421
  831    HB3  HIS 111           HB3      HIS 111   1.060  13.440  -0.065
  832    HD1  HIS 111           HD1      HIS 111   3.208  13.096   3.039
  833    HD2  HIS 111           HD2      HIS 111  -0.768  12.667   1.727
  834    HE1  HIS 111           HE1      HIS 111   1.783  12.854   5.133
  835    H    ILE 112           H        ILE 112  -0.349  11.268  -0.791
  836    HA   ILE 112           HA       ILE 112  -1.181   9.485   1.233
  837    HB   ILE 112           HB       ILE 112  -2.193   9.978  -1.596
  838   HG12  ILE 112          HG12      ILE 112  -2.343  11.880   0.057
  839   HG13  ILE 112          HG13      ILE 112  -3.843  11.388  -0.705
  840   HG21  ILE 112          HG21      ILE 112  -3.006   7.799  -1.102
  841   HG22  ILE 112          HG22      ILE 112  -3.510   8.280   0.533
  842   HG23  ILE 112          HG23      ILE 112  -4.339   8.937  -0.906
  843   HD11  ILE 112          HD13      ILE 112  -4.078  11.945   1.675
  844   HD12  ILE 112          HD11      ILE 112  -4.553  10.271   1.346
  845   HD13  ILE 112          HD12      ILE 112  -2.976  10.618   2.109
  846    H    GLY 113           H        GLY 113  -0.097   8.650  -2.149
  847    HA2  GLY 113           HA2      GLY 113  -0.375   5.871  -1.851
  848    HA3  GLY 113           HA3      GLY 113   0.745   6.681  -2.966
  849    H    ALA 114           H        ALA 114   2.399   7.971  -1.029
  850    HA   ALA 114           HA       ALA 114   4.257   5.867  -0.380
  851    HB1  ALA 114           HB3      ALA 114   5.510   7.790   0.610
  852    HB2  ALA 114           HB1      ALA 114   4.957   8.136  -1.030
  853    HB3  ALA 114           HB2      ALA 114   4.088   8.823   0.339
  854    H    ILE 115           H        ILE 115   2.245   8.025   1.731
  855    HA   ILE 115           HA       ILE 115   2.819   6.967   4.180
  856    HB   ILE 115           HB       ILE 115   0.501   8.234   2.906
  857   HG12  ILE 115          HG12      ILE 115   2.394   9.712   3.492
  858   HG13  ILE 115          HG13      ILE 115   0.905  10.131   4.302
  859   HG21  ILE 115          HG21      ILE 115  -0.606   8.483   5.137
  860   HG22  ILE 115          HG22      ILE 115  -0.693   6.918   4.330
  861   HG23  ILE 115          HG23      ILE 115   0.461   7.133   5.672
  862   HD11  ILE 115          HD13      ILE 115   2.821  10.350   5.805
  863   HD12  ILE 115          HD11      ILE 115   1.702   9.114   6.405
  864   HD13  ILE 115          HD12      ILE 115   3.211   8.638   5.595
  865    H    GLN 116           H        GLN 116   0.309   5.968   1.742
  866    HA   GLN 116           HA       GLN 116  -0.778   3.848   3.321
  867    HB2  GLN 116           HB2      GLN 116  -0.893   4.520   0.355
  868    HB3  GLN 116           HB3      GLN 116  -1.765   3.152   1.037
  869    HG2  GLN 116           HG2      GLN 116  -2.076   6.003   2.039
  870    HG3  GLN 116           HG3      GLN 116  -3.107   5.289   0.804
  871   HE21  GLN 116          HE22      GLN 116  -3.216   6.101   3.963
  872   HE22  GLN 116          HE21      GLN 116  -4.206   4.814   4.598
  873    H    ALA 117           H        ALA 117   2.262   3.962   1.814
  874    HA   ALA 117           HA       ALA 117   2.397   1.046   1.584
  875    HB1  ALA 117           HB3      ALA 117   3.386   2.325  -0.309
  876    HB2  ALA 117           HB1      ALA 117   4.474   3.149   0.818
  877    HB3  ALA 117           HB2      ALA 117   4.615   1.403   0.573
  878    H    LEU 118           H        LEU 118   3.839   3.864   3.281
  879    HA   LEU 118           HA       LEU 118   5.496   2.106   4.843
  880    HB2  LEU 118           HB2      LEU 118   6.180   4.020   6.042
  881    HB3  LEU 118           HB3      LEU 118   6.202   4.259   4.276
  882    HG   LEU 118           HG       LEU 118   4.342   5.670   4.330
  883   HD11  LEU 118          HD11      LEU 118   3.635   6.655   6.628
  884   HD12  LEU 118          HD12      LEU 118   2.924   5.164   6.195
  885   HD13  LEU 118          HD13      LEU 118   4.278   5.129   7.318
  886   HD21  LEU 118          HD23      LEU 118   5.489   7.550   5.643
  887   HD22  LEU 118          HD21      LEU 118   6.520   6.340   6.375
  888   HD23  LEU 118          HD22      LEU 118   6.606   6.622   4.625
  889    H    SER 119           H        SER 119   2.341   3.355   5.324
  890    HA   SER 119           HA       SER 119   1.972   2.669   8.039
  891    HB2  SER 119           HB2      SER 119  -0.085   2.405   5.801
  892    HB3  SER 119           HB3      SER 119  -0.426   2.525   7.537
  893    HG   SER 119           HG       SER 119   0.704   4.479   5.813
  894    H    GLU 120           H        GLU 120   2.373   0.522   5.277
  895    HA   GLU 120           HA       GLU 120   1.142  -1.801   6.446
  896    HB2  GLU 120           HB2      GLU 120   3.317  -1.633   4.338
  897    HB3  GLU 120           HB3      GLU 120   2.396  -3.068   4.740
  898    HG2  GLU 120           HG2      GLU 120   1.079  -0.518   3.751
  899    HG3  GLU 120           HG3      GLU 120   1.651  -1.774   2.657
  900    H    LEU 121           H        LEU 121   4.090  -0.042   6.814
  901    HA   LEU 121           HA       LEU 121   5.456  -2.233   8.274
  902    HB2  LEU 121           HB2      LEU 121   6.486   0.518   7.456
  903    HB3  LEU 121           HB3      LEU 121   7.405  -0.712   8.287
  904    HG   LEU 121           HG       LEU 121   6.336  -0.753   5.454
  905   HD11  LEU 121          HD11      LEU 121   8.744  -1.029   4.916
  906   HD12  LEU 121          HD12      LEU 121   8.450   0.440   5.863
  907   HD13  LEU 121          HD13      LEU 121   9.136  -1.002   6.645
  908   HD21  LEU 121          HD23      LEU 121   7.608  -3.090   6.981
  909   HD22  LEU 121          HD21      LEU 121   5.983  -3.055   6.263
  910   HD23  LEU 121          HD22      LEU 121   7.406  -3.038   5.223
  911    H    LEU 122           H        LEU 122   5.092   1.332   8.925
  912    HA   LEU 122           HA       LEU 122   5.695   0.747  11.667
  913    HB2  LEU 122           HB2      LEU 122   4.501   3.293  10.479
  914    HB3  LEU 122           HB3      LEU 122   5.118   3.121  12.120
  915    HG   LEU 122           HG       LEU 122   6.707   3.059   9.538
  916   HD11  LEU 122          HD11      LEU 122   6.787   4.781  12.058
  917   HD12  LEU 122          HD12      LEU 122   7.912   4.925  10.709
  918   HD13  LEU 122          HD13      LEU 122   6.191   5.263  10.462
  919   HD21  LEU 122          HD23      LEU 122   8.741   2.685  10.935
  920   HD22  LEU 122          HD21      LEU 122   7.705   2.335  12.330
  921   HD23  LEU 122          HD22      LEU 122   7.689   1.279  10.895
  922    H    CYS 123           H        CYS 123   2.560   0.509  10.144
  923    HA   CYS 123           HA       CYS 123   1.274   0.745  12.806
  924    HB2  CYS 123           HB2      CYS 123  -0.109   0.426  10.123
  925    HB3  CYS 123           HB3      CYS 123  -0.838   0.842  11.670
  926    HG   CYS 123           HG       CYS 123   0.443   3.094  12.027
  927    H    GLU 124           H        GLU 124   3.077  -1.429  12.100
  928    HA   GLU 124           HA       GLU 124   1.323  -3.652  12.880
  929    HB2  GLU 124           HB2      GLU 124   3.542  -3.780  10.801
  930    HB3  GLU 124           HB3      GLU 124   2.856  -5.194  11.595
  931    HG2  GLU 124           HG2      GLU 124   1.331  -3.188   9.906
  932    HG3  GLU 124           HG3      GLU 124   1.930  -4.750   9.341
  933    H    GLU 125           H        GLU 125   1.874  -4.053  14.828
  934    HA   GLU 125           HA       GLU 125   4.260  -3.039  16.071
  935    HB2  GLU 125           HB2      GLU 125   3.595  -4.363  18.031
  936    HB3  GLU 125           HB3      GLU 125   2.325  -3.310  17.440
  937    HG2  GLU 125           HG2      GLU 125   2.351  -6.230  16.601
  938    HG3  GLU 125           HG3      GLU 125   1.825  -5.781  18.213
  939    H    GLU 126           H        GLU 126   3.542  -6.023  14.389
  940    HA   GLU 126           HA       GLU 126   5.720  -7.578  15.350
  941    HB2  GLU 126           HB2      GLU 126   4.393  -7.662  12.602
  942    HB3  GLU 126           HB3      GLU 126   5.420  -8.917  13.311
  943    HG2  GLU 126           HG2      GLU 126   3.744  -9.073  15.217
  944    HG3  GLU 126           HG3      GLU 126   2.693  -7.998  14.286
  945    H    ILE 127           H        ILE 127   5.390  -5.255  12.673
  946    HA   ILE 127           HA       ILE 127   8.107  -5.497  11.728
  947    HB   ILE 127           HB       ILE 127   5.801  -3.695  11.246
  948   HG12  ILE 127          HG12      ILE 127   6.151  -4.327   8.921
  949   HG13  ILE 127          HG13      ILE 127   7.606  -5.231   9.358
  950   HG21  ILE 127          HG21      ILE 127   7.355  -1.950  11.252
  951   HG22  ILE 127          HG22      ILE 127   8.670  -3.002  10.617
  952   HG23  ILE 127          HG23      ILE 127   7.359  -2.469   9.568
  953   HD11  ILE 127          HD13      ILE 127   4.783  -5.918  10.267
  954   HD12  ILE 127          HD11      ILE 127   5.620  -6.650   8.886
  955   HD13  ILE 127          HD12      ILE 127   6.249  -6.899  10.518
  956    H    LEU 128           H        LEU 128   6.368  -3.261  13.973
  957    HA   LEU 128           HA       LEU 128   8.508  -1.508  14.365
  958    HB2  LEU 128           HB2      LEU 128   6.435  -2.360  16.418
  959    HB3  LEU 128           HB3      LEU 128   7.571  -1.039  16.636
  960    HG   LEU 128           HG       LEU 128   5.356  -1.158  14.555
  961   HD11  LEU 128          HD11      LEU 128   4.466   0.751  15.812
  962   HD12  LEU 128          HD12      LEU 128   4.633  -0.667  16.857
  963   HD13  LEU 128          HD13      LEU 128   5.825   0.647  16.957
  964   HD21  LEU 128          HD23      LEU 128   7.145  -0.015  13.456
  965   HD22  LEU 128          HD21      LEU 128   6.063   1.231  14.077
  966   HD23  LEU 128          HD22      LEU 128   7.583   0.878  14.929
  967    H    GLU 129           H        GLU 129   7.995  -4.610  16.007
  968    HA   GLU 129           HA       GLU 129  10.255  -4.266  17.724
  969    HB2  GLU 129           HB2      GLU 129   8.398  -6.536  17.046
  970    HB3  GLU 129           HB3      GLU 129   9.981  -6.940  17.730
  971    HG2  GLU 129           HG2      GLU 129   9.623  -5.456  19.630
  972    HG3  GLU 129           HG3      GLU 129   8.040  -4.974  19.000
  973    H    GLN 130           H        GLN 130   9.864  -5.538  14.370
  974    HA   GLN 130           HA       GLN 130  12.401  -6.901  14.367
  975    HB2  GLN 130           HB2      GLN 130  10.475  -5.927  12.231
  976    HB3  GLN 130           HB3      GLN 130  12.020  -6.694  11.833
  977    HG2  GLN 130           HG2      GLN 130  11.417  -8.759  12.812
  978    HG3  GLN 130           HG3      GLN 130  10.004  -8.073  13.607
  979   HE21  GLN 130          HE22      GLN 130   8.078  -8.057  12.525
  980   HE22  GLN 130          HE21      GLN 130   7.855  -8.575  10.855
  981    H    LEU 131           H        LEU 131  11.198  -3.626  13.524
  982    HA   LEU 131           HA       LEU 131  13.711  -2.613  12.528
  983    HB2  LEU 131           HB2      LEU 131  11.444  -1.131  13.918
  984    HB3  LEU 131           HB3      LEU 131  12.753  -0.395  13.010
  985    HG   LEU 131           HG       LEU 131  10.798  -2.358  11.701
  986   HD11  LEU 131          HD11      LEU 131   9.433  -0.456  11.060
  987   HD12  LEU 131          HD12      LEU 131   9.560  -0.575  12.832
  988   HD13  LEU 131          HD13      LEU 131  10.499   0.641  11.968
  989   HD21  LEU 131          HD23      LEU 131  12.573  -0.155  10.636
  990   HD22  LEU 131          HD21      LEU 131  12.801  -1.897  10.406
  991   HD23  LEU 131          HD22      LEU 131  11.416  -1.084   9.657
  992    H    LEU 132           H        LEU 132  12.003  -2.250  15.673
  993    HA   LEU 132           HA       LEU 132  14.117  -0.902  16.969
  994    HB2  LEU 132           HB2      LEU 132  11.849  -2.580  18.072
  995    HB3  LEU 132           HB3      LEU 132  12.913  -1.638  19.105
  996    HG   LEU 132           HG       LEU 132  11.361  -0.337  16.830
  997   HD11  LEU 132          HD11      LEU 132   9.675   0.304  18.482
  998   HD12  LEU 132          HD12      LEU 132   9.797  -1.461  18.363
  999   HD13  LEU 132          HD13      LEU 132  10.530  -0.616  19.747
 1000   HD21  LEU 132          HD23      LEU 132  12.662   0.812  19.327
 1001   HD22  LEU 132          HD21      LEU 132  13.234   0.995  17.653
 1002   HD23  LEU 132          HD22      LEU 132  11.699   1.719  18.139
 1003    H    THR 133           H        THR 133  14.187  -4.211  16.079
 1004    HA   THR 133           HA       THR 133  16.442  -4.651  17.950
 1005    HB   THR 133           HB       THR 133  15.882  -7.029  17.950
 1006    HG1  THR 133           HG1      THR 133  13.462  -6.295  16.686
 1007   HG21  THR 133          HG23      THR 133  14.936  -5.581  19.745
 1008   HG22  THR 133          HG21      THR 133  13.439  -5.398  18.804
 1009   HG23  THR 133          HG22      THR 133  13.929  -6.994  19.390
 1010    H    ALA 134           H        ALA 134  16.014  -3.689  14.923
 1011    HA   ALA 134           HA       ALA 134  17.321  -5.578  13.278
 1012    HB1  ALA 134           HB3      ALA 134  17.095  -2.565  13.078
 1013    HB2  ALA 134           HB1      ALA 134  17.755  -3.599  11.813
 1014    HB3  ALA 134           HB2      ALA 134  16.057  -3.785  12.304
 1015    H    SER 135           H        SER 135  19.296  -6.410  13.645
 1016    HA   SER 135           HA       SER 135  21.298  -5.078  15.203
 1017    HB2  SER 135           HB2      SER 135  21.491  -7.526  13.394
 1018    HB3  SER 135           HB3      SER 135  22.627  -7.075  14.678
 1019    HG   SER 135           HG       SER 135  21.108  -8.656  15.359
 1020    H    SER 136           H        SER 136  20.463  -4.808  11.817
 1021    HA   SER 136           HA       SER 136  22.960  -3.348  11.292
 1022    HB2  SER 136           HB2      SER 136  23.479  -4.747   9.322
 1023    HB3  SER 136           HB3      SER 136  23.531  -5.693  10.813
 1024    HG   SER 136           HG       SER 136  22.388  -6.871   9.347
 1025    H    GLU 137           H        GLU 137  22.953  -2.264   9.255
 1026    HA   GLU 137           HA       GLU 137  20.571  -0.964   8.392
 1027    HB2  GLU 137           HB2      GLU 137  23.018  -0.289   8.160
 1028    HB3  GLU 137           HB3      GLU 137  23.167  -1.504   6.877
 1029    HG2  GLU 137           HG2      GLU 137  21.312  -0.238   5.664
 1030    HG3  GLU 137           HG3      GLU 137  21.444   0.977   6.955
 1031    H    LYS 138           H        LYS 138  22.242  -3.948   7.314
 1032    HA   LYS 138           HA       LYS 138  20.610  -4.454   5.050
 1033    HB2  LYS 138           HB2      LYS 138  22.019  -6.463   6.862
 1034    HB3  LYS 138           HB3      LYS 138  21.395  -6.799   5.258
 1035    HG2  LYS 138           HG2      LYS 138  23.702  -4.938   5.970
 1036    HG3  LYS 138           HG3      LYS 138  23.815  -6.512   5.197
 1037    HD2  LYS 138           HD2      LYS 138  22.589  -4.000   3.975
 1038    HD3  LYS 138           HD3      LYS 138  24.157  -4.710   3.590
 1039    HE2  LYS 138           HE2      LYS 138  23.023  -6.792   2.806
 1040    HE3  LYS 138           HE3      LYS 138  21.451  -6.049   3.131
 1041    HZ1  LYS 138           HZ3      LYS 138  21.993  -4.349   1.476
 1042    HZ2  LYS 138           HZ1      LYS 138  23.442  -5.048   1.176
 1043    HZ3  LYS 138           HZ2      LYS 138  22.065  -5.834   0.811
 1044    H    GLN 139           H        GLN 139  20.173  -5.464   8.497
 1045    HA   GLN 139           HA       GLN 139  17.801  -6.840   7.997
 1046    HB2  GLN 139           HB2      GLN 139  19.417  -6.493  10.159
 1047    HB3  GLN 139           HB3      GLN 139  18.110  -5.382  10.602
 1048    HG2  GLN 139           HG2      GLN 139  16.488  -7.228  10.113
 1049    HG3  GLN 139           HG3      GLN 139  17.881  -8.281   9.770
 1050   HE21  GLN 139          HE22      GLN 139  15.630  -8.212  11.991
 1051   HE22  GLN 139          HE21      GLN 139  16.543  -8.407  13.465
 1052    H    LEU 140           H        LEU 140  18.309  -3.285   8.474
 1053    HA   LEU 140           HA       LEU 140  15.488  -2.728   8.775
 1054    HB2  LEU 140           HB2      LEU 140  17.906  -1.087   8.010
 1055    HB3  LEU 140           HB3      LEU 140  16.293  -0.414   7.931
 1056    HG   LEU 140           HG       LEU 140  17.531  -1.547  10.448
 1057   HD11  LEU 140          HD11      LEU 140  17.102   1.364   9.659
 1058   HD12  LEU 140          HD12      LEU 140  17.863   0.750  11.129
 1059   HD13  LEU 140          HD13      LEU 140  18.650   0.514   9.570
 1060   HD21  LEU 140          HD23      LEU 140  15.150  -1.707  10.661
 1061   HD22  LEU 140          HD21      LEU 140  15.725  -0.370  11.648
 1062   HD23  LEU 140          HD22      LEU 140  14.942  -0.029  10.090
 1063    H    ALA 141           H        ALA 141  17.758  -2.621   5.991
 1064    HA   ALA 141           HA       ALA 141  15.889  -2.250   3.937
 1065    HB1  ALA 141           HB3      ALA 141  17.574  -3.156   2.450
 1066    HB2  ALA 141           HB1      ALA 141  18.393  -2.193   3.699
 1067    HB3  ALA 141           HB2      ALA 141  18.402  -3.966   3.792
 1068    H    ASP 142           H        ASP 142  16.670  -5.333   5.606
 1069    HA   ASP 142           HA       ASP 142  15.207  -6.974   3.804
 1070    HB2  ASP 142           HB2      ASP 142  16.789  -7.913   5.411
 1071    HB3  ASP 142           HB3      ASP 142  15.776  -7.389   6.758
 1072    H    ILE 143           H        ILE 143  14.180  -5.174   6.780
 1073    HA   ILE 143           HA       ILE 143  11.517  -6.150   6.765
 1074    HB   ILE 143           HB       ILE 143  12.852  -3.688   7.951
 1075   HG12  ILE 143          HG12      ILE 143  11.948  -6.226   9.387
 1076   HG13  ILE 143          HG13      ILE 143  13.554  -6.097   8.704
 1077   HG21  ILE 143          HG21      ILE 143  10.484  -3.239   7.791
 1078   HG22  ILE 143          HG22      ILE 143  10.092  -4.838   8.473
 1079   HG23  ILE 143          HG23      ILE 143  10.872  -3.595   9.475
 1080   HD11  ILE 143          HD13      ILE 143  12.403  -4.385  10.911
 1081   HD12  ILE 143          HD11      ILE 143  13.776  -5.505  10.976
 1082   HD13  ILE 143          HD12      ILE 143  13.930  -3.999  10.067
 1083    H    ILE 144           H        ILE 144  13.119  -3.375   5.176
 1084    HA   ILE 144           HA       ILE 144  10.747  -2.311   3.948
 1085    HB   ILE 144           HB       ILE 144  13.667  -2.303   3.053
 1086   HG12  ILE 144          HG12      ILE 144  13.431  -0.937   4.968
 1087   HG13  ILE 144          HG13      ILE 144  13.496   0.151   3.588
 1088   HG21  ILE 144          HG21      ILE 144  12.416  -2.111   1.007
 1089   HG22  ILE 144          HG22      ILE 144  11.356  -0.871   1.701
 1090   HG23  ILE 144          HG23      ILE 144  13.076  -0.533   1.422
 1091   HD11  ILE 144          HD13      ILE 144  11.137  -0.588   5.304
 1092   HD12  ILE 144          HD11      ILE 144  11.760   1.019   4.907
 1093   HD13  ILE 144          HD12      ILE 144  10.888   0.084   3.673
 1094    H    SER 145           H        SER 145  13.077  -4.761   2.814
 1095    HA   SER 145           HA       SER 145  11.777  -5.145   0.370
 1096    HB2  SER 145           HB2      SER 145  13.484  -7.156   1.916
 1097    HB3  SER 145           HB3      SER 145  13.151  -7.186   0.177
 1098    HG   SER 145           HG       SER 145  14.601  -5.220   1.650
 1099    H    ARG 146           H        ARG 146  11.105  -6.612   3.554
 1100    HA   ARG 146           HA       ARG 146   9.414  -8.678   2.827
 1101    HB2  ARG 146           HB2      ARG 146  10.387  -7.596   5.174
 1102    HB3  ARG 146           HB3      ARG 146   8.709  -7.042   5.257
 1103    HG2  ARG 146           HG2      ARG 146   7.991  -9.401   4.837
 1104    HG3  ARG 146           HG3      ARG 146   9.711  -9.860   4.800
 1105    HD2  ARG 146           HD2      ARG 146   9.968  -9.199   7.151
 1106    HD3  ARG 146           HD3      ARG 146   8.280  -8.647   7.211
 1107    HE   ARG 146           HE       ARG 146   7.871 -11.145   6.427
 1108   HH11  ARG 146          HH11      ARG 146   9.947 -10.040   9.136
 1109   HH12  ARG 146          HH12      ARG 146  10.022 -11.609   9.839
 1110   HH21  ARG 146          HH21      ARG 146   7.914 -13.164   7.464
 1111   HH22  ARG 146          HH22      ARG 146   8.783 -13.383   8.933
 1112    H    GLY 147           H        GLY 147   8.806  -5.233   2.612
 1113    HA2  GLY 147           HA2      GLY 147   5.868  -5.515   2.652
 1114    HA3  GLY 147           HA3      GLY 147   6.821  -4.029   2.491
  Start of MODEL    7
    1    H    MET   1           H1       MET   1   1.831  -1.284  -0.810
    2    HA   MET   1           HA       MET   1   2.490  -1.137  -3.681
    3    HB2  MET   1           HB2      MET   1   2.133   1.077  -1.838
    4    HB3  MET   1           HB3      MET   1   3.863   0.883  -2.117
    5    HG2  MET   1           HG2      MET   1   3.080   2.390  -3.766
    6    HG3  MET   1           HG3      MET   1   3.420   0.878  -4.588
    7    HE1  MET   1           HE3      MET   1  -0.700   2.881  -3.926
    8    HE2  MET   1           HE1      MET   1   0.305   2.410  -2.540
    9    HE3  MET   1           HE2      MET   1   0.896   3.626  -3.695
   10    H    ARG   2           H        ARG   2   4.684  -1.339  -4.234
   11    HA   ARG   2           HA       ARG   2   6.190  -3.055  -2.441
   12    HB2  ARG   2           HB2      ARG   2   7.052  -1.544  -4.929
   13    HB3  ARG   2           HB3      ARG   2   8.082  -2.638  -3.977
   14    HG2  ARG   2           HG2      ARG   2   5.598  -3.363  -5.467
   15    HG3  ARG   2           HG3      ARG   2   7.273  -3.813  -5.878
   16    HD2  ARG   2           HD2      ARG   2   5.516  -4.698  -3.626
   17    HD3  ARG   2           HD3      ARG   2   6.223  -5.731  -4.886
   18    HE   ARG   2           HE       ARG   2   7.307  -4.908  -2.326
   19   HH11  ARG   2          HH21      ARG   2   8.354  -6.146  -5.504
   20   HH12  ARG   2          HH22      ARG   2   9.902  -6.629  -4.916
   21   HH21  ARG   2          HH12      ARG   2   9.249  -5.336  -1.637
   22   HH22  ARG   2          HH11      ARG   2  10.408  -6.269  -2.547
   23    H    LEU   3           H        LEU   3   7.129  -2.376  -0.726
   24    HA   LEU   3           HA       LEU   3   7.341   0.411   0.056
   25    HB2  LEU   3           HB2      LEU   3   8.453  -2.184   1.141
   26    HB3  LEU   3           HB3      LEU   3   9.145  -0.673   1.694
   27    HG   LEU   3           HG       LEU   3   7.380  -1.628   3.173
   28   HD11  LEU   3          HD11      LEU   3   8.063   0.751   3.249
   29   HD12  LEU   3          HD12      LEU   3   6.780   1.162   2.086
   30   HD13  LEU   3          HD13      LEU   3   6.372   0.507   3.683
   31   HD21  LEU   3          HD23      LEU   3   5.765  -2.377   1.394
   32   HD22  LEU   3          HD21      LEU   3   5.037  -1.391   2.664
   33   HD23  LEU   3          HD22      LEU   3   5.380  -0.682   1.081
   34    H    SER   4           H        SER   4   9.655  -1.984  -1.279
   35    HA   SER   4           HA       SER   4  11.956  -0.419  -1.187
   36    HB2  SER   4           HB2      SER   4  12.622  -1.995  -3.131
   37    HB3  SER   4           HB3      SER   4  12.177  -2.718  -1.576
   38    HG   SER   4           HG       SER   4  11.168  -3.725  -3.402
   39    H    ASP   5           H        ASP   5   9.162   0.053  -3.324
   40    HA   ASP   5           HA       ASP   5  10.556   1.352  -5.449
   41    HB2  ASP   5           HB2      ASP   5   8.198   0.589  -5.587
   42    HB3  ASP   5           HB3      ASP   5   7.739   1.850  -4.433
   43    H    TYR   6           H        TYR   6   9.725   2.391  -2.192
   44    HA   TYR   6           HA       TYR   6  10.058   5.240  -2.878
   45    HB2  TYR   6           HB2      TYR   6   9.107   3.867  -0.335
   46    HB3  TYR   6           HB3      TYR   6   9.238   5.603  -0.548
   47    HD1  TYR   6           HD2      TYR   6   7.735   6.885  -1.919
   48    HD2  TYR   6           HD1      TYR   6   7.239   2.599  -1.506
   49    HE1  TYR   6           HE2      TYR   6   5.528   7.025  -3.032
   50    HE2  TYR   6           HE1      TYR   6   5.032   2.763  -2.556
   51    HH   TYR   6           HH       TYR   6   3.654   5.858  -3.762
   52    H    PHE   7           H        PHE   7  12.011   2.706  -1.405
   53    HA   PHE   7           HA       PHE   7  13.686   4.737  -0.003
   54    HB2  PHE   7           HB2      PHE   7  13.590   1.723   0.294
   55    HB3  PHE   7           HB3      PHE   7  14.703   2.782   1.137
   56    HD1  PHE   7           HD1      PHE   7  11.062   2.197   0.611
   57    HD2  PHE   7           HD2      PHE   7  14.074   3.495   3.408
   58    HE1  PHE   7           HE1      PHE   7   9.312   2.596   2.291
   59    HE2  PHE   7           HE2      PHE   7  12.283   4.028   5.030
   60    HZ   PHE   7           HZ       PHE   7   9.917   3.571   4.499
   61    HA   PRO   8           HA       PRO   8  15.769   4.210  -3.977
   62    HB2  PRO   8           HB2      PRO   8  17.733   6.172  -3.738
   63    HB3  PRO   8           HB3      PRO   8  16.043   6.424  -4.252
   64    HG2  PRO   8           HG2      PRO   8  17.208   6.753  -1.473
   65    HG3  PRO   8           HG3      PRO   8  16.120   7.872  -2.359
   66    HD2  PRO   8           HD2      PRO   8  15.107   6.183  -0.543
   67    HD3  PRO   8           HD3      PRO   8  14.268   6.416  -2.100
   68    H    GLU   9           H        GLU   9  18.167   4.795  -1.375
   69    HA   GLU   9           HA       GLU   9  19.552   2.307  -1.870
   70    HB2  GLU   9           HB2      GLU   9  20.225   3.677  -3.885
   71    HB3  GLU   9           HB3      GLU   9  20.842   4.903  -2.792
   72    HG2  GLU   9           HG2      GLU   9  22.726   3.635  -3.499
   73    HG3  GLU   9           HG3      GLU   9  22.411   3.124  -1.844
   74    H    SER  10           H        SER  10  20.987   5.406  -0.910
   75    HA   SER  10           HA       SER  10  22.031   4.385   1.506
   76    HB2  SER  10           HB2      SER  10  21.500   7.323   1.034
   77    HB3  SER  10           HB3      SER  10  22.908   6.560   1.782
   78    HG   SER  10           HG       SER  10  23.551   5.866  -0.279
   79    H    SER  11           H        SER  11  18.948   4.345   1.057
   80    HA   SER  11           HA       SER  11  17.816   6.319   2.870
   81    HB2  SER  11           HB2      SER  11  15.698   4.981   1.982
   82    HB3  SER  11           HB3      SER  11  16.600   6.105   0.964
   83    HG   SER  11           HG       SER  11  16.824   3.266   0.983
   84    H    ILE  12           H        ILE  12  19.464   3.682   3.791
   85    HA   ILE  12           HA       ILE  12  17.690   3.271   6.096
   86    HB   ILE  12           HB       ILE  12  19.046   1.190   4.348
   87   HG12  ILE  12          HG12      ILE  12  16.509   0.235   5.202
   88   HG13  ILE  12          HG13      ILE  12  16.224   1.928   4.832
   89   HG21  ILE  12          HG21      ILE  12  18.069   0.902   7.196
   90   HG22  ILE  12          HG22      ILE  12  18.467  -0.452   6.094
   91   HG23  ILE  12          HG23      ILE  12  19.722   0.692   6.562
   92   HD11  ILE  12          HD13      ILE  12  17.519  -0.077   3.018
   93   HD12  ILE  12          HD11      ILE  12  15.847   0.575   2.893
   94   HD13  ILE  12          HD12      ILE  12  17.256   1.644   2.639
   95    H    SER  13           H        SER  13  18.894   3.787   7.905
   96    HA   SER  13           HA       SER  13  21.785   3.233   7.848
   97    HB2  SER  13           HB2      SER  13  20.574   5.897   8.745
   98    HB3  SER  13           HB3      SER  13  22.286   5.456   8.812
   99    HG   SER  13           HG       SER  13  21.772   6.757   6.993
  100    H    VAL  14           H        VAL  14  22.720   3.002   9.922
  101    HA   VAL  14           HA       VAL  14  20.895   2.973  12.286
  102    HB   VAL  14           HB       VAL  14  23.140   1.052  11.550
  103   HG11  VAL  14          HG11      VAL  14  21.586   1.251  14.174
  104   HG12  VAL  14          HG12      VAL  14  22.637  -0.105  13.712
  105   HG13  VAL  14          HG13      VAL  14  23.334   1.495  13.954
  106   HG21  VAL  14          HG23      VAL  14  20.861   0.543  10.570
  107   HG22  VAL  14          HG21      VAL  14  21.422  -0.688  11.707
  108   HG23  VAL  14          HG22      VAL  14  20.220   0.511  12.220
  109    H    ILE  15           H        ILE  15  21.769   3.966  14.077
  110    HA   ILE  15           HA       ILE  15  24.402   5.336  13.842
  111    HB   ILE  15           HB       ILE  15  21.593   6.464  14.186
  112   HG12  ILE  15          HG12      ILE  15  23.804   6.883  12.151
  113   HG13  ILE  15          HG13      ILE  15  22.151   6.311  11.888
  114   HG21  ILE  15          HG21      ILE  15  24.173   7.966  14.731
  115   HG22  ILE  15          HG22      ILE  15  22.523   8.653  14.722
  116   HG23  ILE  15          HG23      ILE  15  22.917   7.466  15.902
  117   HD11  ILE  15          HD13      ILE  15  21.337   8.607  12.601
  118   HD12  ILE  15          HD11      ILE  15  23.035   9.131  12.612
  119   HD13  ILE  15          HD12      ILE  15  22.291   8.575  11.094
  120    H    HIS  16           H        HIS  16  25.361   5.729  15.839
  121    HA   HIS  16           HA       HIS  16  24.579   4.111  18.068
  122    HB2  HIS  16           HB2      HIS  16  26.443   6.517  17.949
  123    HB3  HIS  16           HB3      HIS  16  26.354   5.342  19.262
  124    HD1  HIS  16           HD1      HIS  16  26.501   2.611  17.658
  125    HD2  HIS  16           HD2      HIS  16  28.759   6.088  16.850
  126    HE1  HIS  16           HE1      HIS  16  28.574   1.851  16.389
  127    H    SER  17           H        SER  17  24.252   7.660  17.389
  128    HA   SER  17           HA       SER  17  21.946   7.945  19.069
  129    HB2  SER  17           HB2      SER  17  24.217   9.743  19.911
  130    HB3  SER  17           HB3      SER  17  22.753   9.295  20.783
  131    HG   SER  17           HG       SER  17  25.162   7.843  20.417
  132    H    ALA  18           H        ALA  18  21.019  10.162  18.503
  133    HA   ALA  18           HA       ALA  18  22.235  11.210  16.005
  134    HB1  ALA  18           HB3      ALA  18  19.793  12.346  17.417
  135    HB2  ALA  18           HB1      ALA  18  20.363  12.651  15.784
  136    HB3  ALA  18           HB2      ALA  18  19.713  11.058  16.193
  137    H    LYS  19           H        LYS  19  23.132  13.315  15.943
  138    HA   LYS  19           HA       LYS  19  24.663  14.147  18.160
  139    HB2  LYS  19           HB2      LYS  19  24.838  14.607  15.609
  140    HB3  LYS  19           HB3      LYS  19  23.741  15.940  15.886
  141    HG2  LYS  19           HG2      LYS  19  26.431  15.602  17.267
  142    HG3  LYS  19           HG3      LYS  19  26.201  16.458  15.748
  143    HD2  LYS  19           HD2      LYS  19  25.125  17.303  18.447
  144    HD3  LYS  19           HD3      LYS  19  26.436  18.037  17.552
  145    HE2  LYS  19           HE2      LYS  19  23.522  17.953  16.674
  146    HE3  LYS  19           HE3      LYS  19  24.356  19.340  17.387
  147    HZ1  LYS  19           HZ3      LYS  19  24.349  19.671  15.080
  148    HZ2  LYS  19           HZ1      LYS  19  25.877  19.202  15.393
  149    HZ3  LYS  19           HZ2      LYS  19  24.790  18.150  14.712
  150    H    ASP  20           H        ASP  20  21.446  15.102  17.054
  151    HA   ASP  20           HA       ASP  20  20.582  16.119  19.611
  152    HB2  ASP  20           HB2      ASP  20  21.860  18.117  18.442
  153    HB3  ASP  20           HB3      ASP  20  20.591  17.950  17.205
  154    H    TRP  21           H        TRP  21  18.302  17.134  19.133
  155    HA   TRP  21           HA       TRP  21  16.802  15.130  17.679
  156    HB2  TRP  21           HB2      TRP  21  14.931  16.873  18.369
  157    HB3  TRP  21           HB3      TRP  21  15.617  15.739  19.515
  158    HD1  TRP  21           HD1      TRP  21  16.160  19.382  18.431
  159    HE1  TRP  21           HE1      TRP  21  16.739  20.826  20.446
  160    HE3  TRP  21           HE3      TRP  21  16.675  15.681  21.890
  161    HZ2  TRP  21           HZ2      TRP  21  17.344  20.419  23.260
  162    HZ3  TRP  21           HZ3      TRP  21  17.353  16.217  24.211
  163    HH2  TRP  21           HH2      TRP  21  17.674  18.582  24.914
  164    H    GLN  22           H        GLN  22  17.873  18.521  17.030
  165    HA   GLN  22           HA       GLN  22  16.390  18.783  14.546
  166    HB2  GLN  22           HB2      GLN  22  17.733  20.584  14.049
  167    HB3  GLN  22           HB3      GLN  22  17.506  20.601  15.789
  168    HG2  GLN  22           HG2      GLN  22  19.866  19.444  15.850
  169    HG3  GLN  22           HG3      GLN  22  20.015  20.031  14.199
  170   HE21  GLN  22          HE22      GLN  22  19.467  20.968  17.597
  171   HE22  GLN  22          HE21      GLN  22  20.023  22.636  17.439
  172    H    GLU  23           H        GLU  23  19.540  17.286  15.411
  173    HA   GLU  23           HA       GLU  23  20.285  16.617  12.736
  174    HB2  GLU  23           HB2      GLU  23  21.668  16.627  15.020
  175    HB3  GLU  23           HB3      GLU  23  21.096  14.953  15.114
  176    HG2  GLU  23           HG2      GLU  23  23.148  14.728  13.991
  177    HG3  GLU  23           HG3      GLU  23  22.010  14.716  12.673
  178    H    ALA  24           H        ALA  24  18.370  14.948  15.210
  179    HA   ALA  24           HA       ALA  24  18.306  12.401  13.974
  180    HB1  ALA  24           HB3      ALA  24  17.702  13.020  16.338
  181    HB2  ALA  24           HB1      ALA  24  16.177  13.694  15.733
  182    HB3  ALA  24           HB2      ALA  24  16.509  11.959  15.539
  183    H    ILE  25           H        ILE  25  16.344  15.335  13.424
  184    HA   ILE  25           HA       ILE  25  14.591  14.132  11.443
  185    HB   ILE  25           HB       ILE  25  15.496  17.023  11.617
  186   HG12  ILE  25          HG12      ILE  25  14.058  15.678  13.660
  187   HG13  ILE  25          HG13      ILE  25  14.476  17.379  13.519
  188   HG21  ILE  25          HG21      ILE  25  12.957  15.831  10.436
  189   HG22  ILE  25          HG22      ILE  25  13.487  17.537  10.402
  190   HG23  ILE  25          HG23      ILE  25  14.374  16.331   9.514
  191   HD11  ILE  25          HD13      ILE  25  12.122  17.096  13.955
  192   HD12  ILE  25          HD11      ILE  25  12.330  17.766  12.331
  193   HD13  ILE  25          HD12      ILE  25  11.937  16.036  12.546
  194    H    ASP  26           H        ASP  26  17.672  15.984  11.384
  195    HA   ASP  26           HA       ASP  26  17.977  16.199   8.615
  196    HB2  ASP  26           HB2      ASP  26  19.371  17.175  10.608
  197    HB3  ASP  26           HB3      ASP  26  20.365  15.733  10.419
  198    H    PHE  27           H        PHE  27  19.163  13.556  10.758
  199    HA   PHE  27           HA       PHE  27  20.100  11.917   8.622
  200    HB2  PHE  27           HB2      PHE  27  19.417  11.418  11.532
  201    HB3  PHE  27           HB3      PHE  27  19.855  10.099  10.459
  202    HD1  PHE  27           HD2      PHE  27  22.002  10.610   8.899
  203    HD2  PHE  27           HD1      PHE  27  21.298  12.298  12.825
  204    HE1  PHE  27           HE2      PHE  27  24.435  10.960   9.196
  205    HE2  PHE  27           HE1      PHE  27  23.729  12.590  13.114
  206    HZ   PHE  27           HZ       PHE  27  25.305  11.943  11.310
  207    H    SER  28           H        SER  28  16.805  12.312  10.000
  208    HA   SER  28           HA       SER  28  15.709   9.964   8.755
  209    HB2  SER  28           HB2      SER  28  14.261  12.584   9.431
  210    HB3  SER  28           HB3      SER  28  13.515  11.053   9.045
  211    HG   SER  28           HG       SER  28  15.255  11.561  11.256
  212    H    MET  29           H        MET  29  16.720  13.083   7.457
  213    HA   MET  29           HA       MET  29  15.248  12.506   4.924
  214    HB2  MET  29           HB2      MET  29  16.315  15.110   5.976
  215    HB3  MET  29           HB3      MET  29  15.142  14.845   4.670
  216    HG2  MET  29           HG2      MET  29  14.335  14.129   7.464
  217    HG3  MET  29           HG3      MET  29  14.445  15.810   6.984
  218    HE1  MET  29           HE3      MET  29  13.140  12.456   5.486
  219    HE2  MET  29           HE1      MET  29  12.437  12.745   7.105
  220    HE3  MET  29           HE2      MET  29  11.381  12.766   5.668
  221    H    VAL  30           H        VAL  30  18.553  12.993   6.128
  222    HA   VAL  30           HA       VAL  30  19.618  14.377   4.045
  223    HB   VAL  30           HB       VAL  30  20.770  13.881   6.147
  224   HG11  VAL  30          HG11      VAL  30  21.435  11.130   5.010
  225   HG12  VAL  30          HG12      VAL  30  21.988  11.819   6.549
  226   HG13  VAL  30          HG13      VAL  30  20.276  11.430   6.320
  227   HG21  VAL  30          HG23      VAL  30  22.456  13.076   3.744
  228   HG22  VAL  30          HG21      VAL  30  22.046  14.739   4.212
  229   HG23  VAL  30          HG22      VAL  30  23.037  13.739   5.288
  230    H    SER  31           H        SER  31  19.107  10.797   3.983
  231    HA   SER  31           HA       SER  31  20.576  10.414   1.611
  232    HB2  SER  31           HB2      SER  31  18.168   8.830   2.579
  233    HB3  SER  31           HB3      SER  31  19.495   8.251   1.556
  234    HG   SER  31           HG       SER  31  20.102   7.635   3.547
  235    H    LEU  32           H        LEU  32  17.284  11.603   2.141
  236    HA   LEU  32           HA       LEU  32  16.482  11.436  -0.669
  237    HB2  LEU  32           HB2      LEU  32  15.318  12.825   1.795
  238    HB3  LEU  32           HB3      LEU  32  14.583  12.942   0.224
  239    HG   LEU  32           HG       LEU  32  15.097  10.287   1.614
  240   HD11  LEU  32          HD11      LEU  32  12.708  10.304   2.228
  241   HD12  LEU  32          HD12      LEU  32  13.598  11.623   3.001
  242   HD13  LEU  32          HD13      LEU  32  12.559  11.957   1.600
  243   HD21  LEU  32          HD23      LEU  32  14.783  10.156  -0.869
  244   HD22  LEU  32          HD21      LEU  32  13.511   9.370   0.033
  245   HD23  LEU  32          HD22      LEU  32  13.210  10.969  -0.678
  246    H    LEU  33           H        LEU  33  17.788  13.875   1.626
  247    HA   LEU  33           HA       LEU  33  17.676  16.095  -0.069
  248    HB2  LEU  33           HB2      LEU  33  18.189  16.147   2.345
  249    HB3  LEU  33           HB3      LEU  33  19.749  15.399   2.031
  250    HG   LEU  33           HG       LEU  33  20.487  17.379   0.754
  251   HD11  LEU  33          HD11      LEU  33  17.809  18.589   1.548
  252   HD12  LEU  33          HD12      LEU  33  19.176  19.446   0.798
  253   HD13  LEU  33          HD13      LEU  33  18.339  18.197  -0.101
  254   HD21  LEU  33          HD23      LEU  33  19.444  18.068   3.515
  255   HD22  LEU  33          HD21      LEU  33  20.888  17.094   3.183
  256   HD23  LEU  33          HD22      LEU  33  20.843  18.773   2.664
  257    H    ASP  34           H        ASP  34  20.267  13.649   0.350
  258    HA   ASP  34           HA       ASP  34  22.182  14.786  -1.361
  259    HB2  ASP  34           HB2      ASP  34  22.595  12.963   0.298
  260    HB3  ASP  34           HB3      ASP  34  21.666  11.848  -0.721
  261    H    LYS  35           H        LYS  35  19.636  12.383  -2.074
  262    HA   LYS  35           HA       LYS  35  20.254  12.290  -4.935
  263    HB2  LYS  35           HB2      LYS  35  18.456  10.918  -2.942
  264    HB3  LYS  35           HB3      LYS  35  17.925  10.973  -4.625
  265    HG2  LYS  35           HG2      LYS  35  19.078   8.942  -4.062
  266    HG3  LYS  35           HG3      LYS  35  19.753   9.846  -5.426
  267    HD2  LYS  35           HD2      LYS  35  21.645   9.099  -4.428
  268    HD3  LYS  35           HD3      LYS  35  21.512  10.699  -3.698
  269    HE2  LYS  35           HE2      LYS  35  20.551   9.716  -1.658
  270    HE3  LYS  35           HE3      LYS  35  20.515   8.116  -2.419
  271    HZ1  LYS  35           HZ3      LYS  35  22.491   8.286  -1.054
  272    HZ2  LYS  35           HZ1      LYS  35  22.943   8.227  -2.601
  273    HZ3  LYS  35           HZ2      LYS  35  22.976   9.673  -1.838
  274    H    ASN  36           H        ASN  36  19.201  14.791  -3.323
  275    HA   ASN  36           HA       ASN  36  17.771  16.376  -3.461
  276    HB2  ASN  36           HB2      ASN  36  17.499  17.559  -5.614
  277    HB3  ASN  36           HB3      ASN  36  19.139  17.175  -5.140
  278   HD21  ASN  36          HD22      ASN  36  20.233  15.472  -6.163
  279   HD22  ASN  36          HD21      ASN  36  19.836  14.965  -7.799
  280    H    TYR  37           H        TYR  37  16.300  14.072  -3.012
  281    HA   TYR  37           HA       TYR  37  13.773  14.229  -4.515
  282    HB2  TYR  37           HB2      TYR  37  14.662  12.927  -1.920
  283    HB3  TYR  37           HB3      TYR  37  12.972  13.017  -2.352
  284    HD1  TYR  37           HD2      TYR  37  16.221  11.404  -3.195
  285    HD2  TYR  37           HD1      TYR  37  11.978  11.558  -3.955
  286    HE1  TYR  37           HE2      TYR  37  16.382   9.327  -4.534
  287    HE2  TYR  37           HE1      TYR  37  12.162   9.528  -5.368
  288    HH   TYR  37           HH       TYR  37  15.261   7.826  -5.924
  289    H    ILE  38           H        ILE  38  15.392  16.075  -2.087
  290    HA   ILE  38           HA       ILE  38  13.067  17.824  -1.678
  291    HB   ILE  38           HB       ILE  38  13.527  17.852   0.764
  292   HG12  ILE  38          HG12      ILE  38  15.355  15.472   0.215
  293   HG13  ILE  38          HG13      ILE  38  15.872  17.092   0.711
  294   HG21  ILE  38          HG21      ILE  38  11.718  16.405  -0.146
  295   HG22  ILE  38          HG22      ILE  38  12.845  15.032  -0.154
  296   HG23  ILE  38          HG23      ILE  38  12.374  15.803   1.364
  297   HD11  ILE  38          HD13      ILE  38  14.306  15.111   2.380
  298   HD12  ILE  38          HD11      ILE  38  15.986  15.633   2.561
  299   HD13  ILE  38          HD12      ILE  38  14.667  16.795   2.854
  300    H    SER  39           H        SER  39  13.825  19.867  -0.610
  301    HA   SER  39           HA       SER  39  16.675  20.578  -1.162
  302    HB2  SER  39           HB2      SER  39  14.236  22.347  -0.678
  303    HB3  SER  39           HB3      SER  39  15.864  22.894  -1.118
  304    HG   SER  39           HG       SER  39  14.485  22.805  -2.927
  305    H    GLU  40           H        GLU  40  17.680  22.001   0.582
  306    HA   GLU  40           HA       GLU  40  17.625  20.693   3.063
  307    HB2  GLU  40           HB2      GLU  40  18.616  23.492   2.394
  308    HB3  GLU  40           HB3      GLU  40  19.002  22.592   3.867
  309    HG2  GLU  40           HG2      GLU  40  20.050  20.797   2.476
  310    HG3  GLU  40           HG3      GLU  40  19.732  21.739   1.027
  311    H    ASN  41           H        ASN  41  15.881  23.627   2.089
  312    HA   ASN  41           HA       ASN  41  14.854  24.343   4.634
  313    HB2  ASN  41           HB2      ASN  41  13.028  25.480   3.289
  314    HB3  ASN  41           HB3      ASN  41  14.680  25.952   2.933
  315   HD21  ASN  41          HD22      ASN  41  11.806  24.243   1.581
  316   HD22  ASN  41          HD21      ASN  41  12.448  24.263  -0.041
  317    H    TYR  42           H        TYR  42  13.927  21.627   2.574
  318    HA   TYR  42           HA       TYR  42  11.274  21.259   3.635
  319    HB2  TYR  42           HB2      TYR  42  12.225  20.157   1.572
  320    HB3  TYR  42           HB3      TYR  42  13.257  19.188   2.618
  321    HD1  TYR  42           HD1      TYR  42   9.701  19.942   1.811
  322    HD2  TYR  42           HD2      TYR  42  12.444  17.196   3.685
  323    HE1  TYR  42           HE1      TYR  42   7.892  18.277   1.983
  324    HE2  TYR  42           HE2      TYR  42  10.638  15.504   3.842
  325    HH   TYR  42           HH       TYR  42   7.287  16.236   2.839
  326    H    ILE  43           H        ILE  43  14.538  20.030   4.555
  327    HA   ILE  43           HA       ILE  43  13.660  18.441   6.749
  328    HB   ILE  43           HB       ILE  43  16.353  19.836   6.316
  329   HG12  ILE  43          HG12      ILE  43  16.859  17.214   5.844
  330   HG13  ILE  43          HG13      ILE  43  15.189  17.279   5.251
  331   HG21  ILE  43          HG21      ILE  43  15.712  17.401   8.040
  332   HG22  ILE  43          HG22      ILE  43  17.263  18.253   7.889
  333   HG23  ILE  43          HG23      ILE  43  15.888  19.039   8.681
  334   HD11  ILE  43          HD13      ILE  43  15.870  19.061   3.682
  335   HD12  ILE  43          HD11      ILE  43  17.510  19.034   4.398
  336   HD13  ILE  43          HD12      ILE  43  16.906  17.627   3.515
  337    H    GLN  44           H        GLN  44  14.791  21.885   6.561
  338    HA   GLN  44           HA       GLN  44  14.537  22.204   9.363
  339    HB2  GLN  44           HB2      GLN  44  15.886  23.641   7.650
  340    HB3  GLN  44           HB3      GLN  44  14.392  24.567   7.495
  341    HG2  GLN  44           HG2      GLN  44  15.846  25.616   9.159
  342    HG3  GLN  44           HG3      GLN  44  14.422  24.982   9.969
  343   HE21  GLN  44          HE22      GLN  44  15.009  24.102  11.985
  344   HE22  GLN  44          HE21      GLN  44  16.407  23.096  12.256
  345    H    ALA  45           H        ALA  45  12.087  22.527   6.829
  346    HA   ALA  45           HA       ALA  45  10.121  23.858   8.354
  347    HB1  ALA  45           HB3      ALA  45   8.493  22.826   6.853
  348    HB2  ALA  45           HB1      ALA  45   9.916  23.345   5.922
  349    HB3  ALA  45           HB2      ALA  45   9.671  21.623   6.323
  350    H    ILE  46           H        ILE  46  11.186  20.421   8.460
  351    HA   ILE  46           HA       ILE  46   8.997  19.658  10.236
  352    HB   ILE  46           HB       ILE  46  11.598  18.196   9.767
  353   HG12  ILE  46          HG12      ILE  46   9.050  17.722   8.215
  354   HG13  ILE  46          HG13      ILE  46  10.423  18.610   7.570
  355   HG21  ILE  46          HG21      ILE  46  10.349  16.255  10.586
  356   HG22  ILE  46          HG22      ILE  46  10.122  17.561  11.736
  357   HG23  ILE  46          HG23      ILE  46   8.831  17.179  10.585
  358   HD11  ILE  46          HD13      ILE  46  11.886  16.664   7.815
  359   HD12  ILE  46          HD11      ILE  46  10.536  15.692   8.417
  360   HD13  ILE  46          HD12      ILE  46  10.490  16.323   6.771
  361    H    LYS  47           H        LYS  47  12.543  20.315  10.505
  362    HA   LYS  47           HA       LYS  47  12.761  19.760  13.241
  363    HB2  LYS  47           HB2      LYS  47  14.212  21.773  11.496
  364    HB3  LYS  47           HB3      LYS  47  14.732  21.420  13.142
  365    HG2  LYS  47           HG2      LYS  47  15.456  19.218  12.558
  366    HG3  LYS  47           HG3      LYS  47  14.683  19.307  10.960
  367    HD2  LYS  47           HD2      LYS  47  16.149  21.039  10.237
  368    HD3  LYS  47           HD3      LYS  47  16.874  21.221  11.846
  369    HE2  LYS  47           HE2      LYS  47  18.072  19.177  11.658
  370    HE3  LYS  47           HE3      LYS  47  17.161  18.669  10.243
  371    HZ1  LYS  47           HZ3      LYS  47  18.194  20.672   9.105
  372    HZ2  LYS  47           HZ1      LYS  47  19.166  20.851  10.398
  373    HZ3  LYS  47           HZ2      LYS  47  19.249  19.488   9.480
  374    H    ASP  48           H        ASP  48  11.956  22.889  11.642
  375    HA   ASP  48           HA       ASP  48  12.179  24.499  13.932
  376    HB2  ASP  48           HB2      ASP  48  12.112  25.389  11.656
  377    HB3  ASP  48           HB3      ASP  48  10.439  24.853  11.460
  378    H    SER  49           H        SER  49   9.152  23.052  12.522
  379    HA   SER  49           HA       SER  49   7.491  23.966  14.642
  380    HB2  SER  49           HB2      SER  49   7.126  21.561  12.819
  381    HB3  SER  49           HB3      SER  49   5.852  22.398  13.725
  382    HG   SER  49           HG       SER  49   5.989  23.084  11.527
  383    H    THR  50           H        THR  50   9.320  20.884  14.190
  384    HA   THR  50           HA       THR  50   8.433  19.566  16.480
  385    HB   THR  50           HB       THR  50  11.157  19.482  15.149
  386    HG1  THR  50           HG1      THR  50   9.665  18.914  13.704
  387   HG21  THR  50          HG23      THR  50  11.427  18.397  17.260
  388   HG22  THR  50          HG21      THR  50   9.834  17.628  17.162
  389   HG23  THR  50          HG22      THR  50  11.140  17.110  16.078
  390    H    ILE  51           H        ILE  51  11.137  21.943  16.197
  391    HA   ILE  51           HA       ILE  51  11.825  21.763  18.978
  392    HB   ILE  51           HB       ILE  51  12.451  23.739  16.757
  393   HG12  ILE  51          HG12      ILE  51  14.286  21.747  18.178
  394   HG13  ILE  51          HG13      ILE  51  13.359  21.303  16.757
  395   HG21  ILE  51          HG21      ILE  51  14.239  24.681  18.212
  396   HG22  ILE  51          HG22      ILE  51  12.642  25.004  18.859
  397   HG23  ILE  51          HG23      ILE  51  13.634  23.713  19.573
  398   HD11  ILE  51          HD13      ILE  51  14.464  23.155  15.471
  399   HD12  ILE  51          HD11      ILE  51  15.534  23.420  16.870
  400   HD13  ILE  51          HD12      ILE  51  15.550  21.868  16.020
  401    H    ASN  52           H        ASN  52   9.685  23.986  17.117
  402    HA   ASN  52           HA       ASN  52   9.429  25.820  19.336
  403    HB2  ASN  52           HB2      ASN  52   8.103  25.551  16.621
  404    HB3  ASN  52           HB3      ASN  52   7.444  26.652  17.816
  405   HD21  ASN  52          HD22      ASN  52  10.363  25.978  15.903
  406   HD22  ASN  52          HD21      ASN  52  11.034  27.588  16.044
  407    H    ASN  53           H        ASN  53   7.435  23.119  18.171
  408    HA   ASN  53           HA       ASN  53   5.494  23.671  20.385
  409    HB2  ASN  53           HB2      ASN  53   3.846  24.044  18.961
  410    HB3  ASN  53           HB3      ASN  53   5.049  24.181  17.687
  411   HD21  ASN  53          HD22      ASN  53   5.654  22.009  16.575
  412   HD22  ASN  53          HD21      ASN  53   4.370  20.858  16.362
  413    H    GLY  54           H        GLY  54   7.206  21.237  18.542
  414    HA2  GLY  54           HA2      GLY  54   7.674  19.224  19.958
  415    HA3  GLY  54           HA3      GLY  54   5.922  19.047  20.134
  416    HA   PRO  55           HA       PRO  55   7.654  17.146  16.086
  417    HB2  PRO  55           HB2      PRO  55   7.450  14.463  16.645
  418    HB3  PRO  55           HB3      PRO  55   8.912  15.423  17.005
  419    HG2  PRO  55           HG2      PRO  55   6.648  14.704  18.883
  420    HG3  PRO  55           HG3      PRO  55   8.410  14.564  19.158
  421    HD2  PRO  55           HD2      PRO  55   6.954  16.688  20.084
  422    HD3  PRO  55           HD3      PRO  55   8.617  16.928  19.476
  423    H    TYR  56           H        TYR  56   6.290  16.203  14.483
  424    HA   TYR  56           HA       TYR  56   3.431  15.937  15.299
  425    HB2  TYR  56           HB2      TYR  56   2.721  17.434  13.611
  426    HB3  TYR  56           HB3      TYR  56   3.869  18.227  14.653
  427    HD1  TYR  56           HD2      TYR  56   6.257  18.663  13.809
  428    HD2  TYR  56           HD1      TYR  56   3.038  17.350  11.247
  429    HE1  TYR  56           HE2      TYR  56   7.434  19.602  11.854
  430    HE2  TYR  56           HE1      TYR  56   4.187  18.342   9.292
  431    HH   TYR  56           HH       TYR  56   7.225  20.207   9.573
  432    H    TYR  57           H        TYR  57   5.667  14.054  14.273
  433    HA   TYR  57           HA       TYR  57   3.757  12.416  12.763
  434    HB2  TYR  57           HB2      TYR  57   6.505  13.114  11.734
  435    HB3  TYR  57           HB3      TYR  57   5.727  11.568  11.401
  436    HD1  TYR  57           HD1      TYR  57   3.528  11.420  10.257
  437    HD2  TYR  57           HD2      TYR  57   5.788  15.091  10.464
  438    HE1  TYR  57           HE1      TYR  57   2.099  12.386   8.481
  439    HE2  TYR  57           HE2      TYR  57   4.397  16.048   8.658
  440    HH   TYR  57           HH       TYR  57   1.605  14.308   7.232
  441    H    ILE  58           H        ILE  58   3.497  11.484  14.851
  442    HA   ILE  58           HA       ILE  58   5.715   9.704  15.730
  443    HB   ILE  58           HB       ILE  58   3.760  11.207  17.514
  444   HG12  ILE  58          HG12      ILE  58   5.524  12.734  16.787
  445   HG13  ILE  58          HG13      ILE  58   5.645  12.361  18.490
  446   HG21  ILE  58          HG21      ILE  58   4.138   9.030  18.471
  447   HG22  ILE  58          HG22      ILE  58   5.883   9.126  18.199
  448   HG23  ILE  58          HG23      ILE  58   5.098  10.186  19.393
  449   HD11  ILE  58          HD13      ILE  58   7.414  11.262  16.276
  450   HD12  ILE  58          HD11      ILE  58   7.878  12.390  17.555
  451   HD13  ILE  58          HD12      ILE  58   7.497  10.722  17.962
  452    H    LEU  59           H        LEU  59   5.022   7.609  16.012
  453    HA   LEU  59           HA       LEU  59   2.170   7.061  15.266
  454    HB2  LEU  59           HB2      LEU  59   4.755   5.689  14.408
  455    HB3  LEU  59           HB3      LEU  59   3.171   4.978  14.200
  456    HG   LEU  59           HG       LEU  59   3.801   5.861  12.136
  457   HD11  LEU  59          HD11      LEU  59   1.424   6.157  12.754
  458   HD12  LEU  59          HD12      LEU  59   1.779   7.842  13.210
  459   HD13  LEU  59          HD13      LEU  59   1.996   7.302  11.535
  460   HD21  LEU  59          HD23      LEU  59   5.510   7.492  12.800
  461   HD22  LEU  59          HD21      LEU  59   4.351   8.101  11.612
  462   HD23  LEU  59          HD22      LEU  59   4.219   8.634  13.270
  463    H    ALA  60           H        ALA  60   4.876   6.180  17.360
  464    HA   ALA  60           HA       ALA  60   3.126   4.785  19.178
  465    HB1  ALA  60           HB3      ALA  60   5.347   3.249  17.715
  466    HB2  ALA  60           HB1      ALA  60   4.451   2.643  19.110
  467    HB3  ALA  60           HB2      ALA  60   3.607   2.923  17.582
  468    HA   PRO  61           HA       PRO  61   6.470   6.321  21.810
  469    HB2  PRO  61           HB2      PRO  61   6.806   4.243  23.639
  470    HB3  PRO  61           HB3      PRO  61   5.555   5.521  23.736
  471    HG2  PRO  61           HG2      PRO  61   5.301   2.712  22.644
  472    HG3  PRO  61           HG3      PRO  61   4.163   3.603  23.705
  473    HD2  PRO  61           HD2      PRO  61   3.742   3.402  21.043
  474    HD3  PRO  61           HD3      PRO  61   3.382   4.924  21.902
  475    H    GLY  62           H        GLY  62   8.393   6.429  20.808
  476    HA2  GLY  62           HA2      GLY  62  10.605   5.574  20.541
  477    HA3  GLY  62           HA3      GLY  62   9.970   3.951  20.331
  478    H    VAL  63           H        VAL  63   7.864   5.688  18.426
  479    HA   VAL  63           HA       VAL  63   9.585   5.326  16.018
  480    HB   VAL  63           HB       VAL  63   6.684   4.480  16.306
  481   HG11  VAL  63          HG11      VAL  63   8.704   3.762  14.137
  482   HG12  VAL  63          HG12      VAL  63   6.974   3.336  14.155
  483   HG13  VAL  63          HG13      VAL  63   7.471   5.016  13.985
  484   HG21  VAL  63          HG23      VAL  63   7.660   2.122  16.236
  485   HG22  VAL  63          HG21      VAL  63   9.234   2.849  16.610
  486   HG23  VAL  63          HG22      VAL  63   7.885   2.991  17.750
  487    H    ALA  64           H        ALA  64   9.620   7.021  14.708
  488    HA   ALA  64           HA       ALA  64   7.348   8.942  14.632
  489    HB1  ALA  64           HB3      ALA  64   9.316   9.934  15.816
  490    HB2  ALA  64           HB1      ALA  64  10.309   9.618  14.372
  491    HB3  ALA  64           HB2      ALA  64   8.959  10.768  14.300
  492    H    MET  65           H        MET  65   7.389  10.197  12.511
  493    HA   MET  65           HA       MET  65   8.625   8.680  10.322
  494    HB2  MET  65           HB2      MET  65   6.446   7.665  10.659
  495    HB3  MET  65           HB3      MET  65   5.693   9.254  10.385
  496    HG2  MET  65           HG2      MET  65   7.382   8.751   8.153
  497    HG3  MET  65           HG3      MET  65   6.586   7.228   8.493
  498    HE1  MET  65           HE3      MET  65   4.027   7.110   8.964
  499    HE2  MET  65           HE1      MET  65   3.502   8.684   9.623
  500    HE3  MET  65           HE2      MET  65   2.830   8.092   8.083
  501    HA   PRO  66           HA       PRO  66   8.701  13.387  10.255
  502    HB2  PRO  66           HB2      PRO  66  11.462  12.745   9.144
  503    HB3  PRO  66           HB3      PRO  66  10.971  14.136  10.158
  504    HG2  PRO  66           HG2      PRO  66  12.169  12.047  11.333
  505    HG3  PRO  66           HG3      PRO  66  10.694  12.724  12.083
  506    HD2  PRO  66           HD2      PRO  66  10.926  10.295  10.279
  507    HD3  PRO  66           HD3      PRO  66  10.076  10.464  11.841
  508    H    HIS  67           H        HIS  67   8.423  14.767   8.611
  509    HA   HIS  67           HA       HIS  67   8.602  14.518   5.812
  510    HB2  HIS  67           HB2      HIS  67   7.093  12.648   5.825
  511    HB3  HIS  67           HB3      HIS  67   6.111  13.342   7.102
  512    HD1  HIS  67           HD1      HIS  67   4.093  14.865   6.403
  513    HD2  HIS  67           HD2      HIS  67   6.613  13.746   3.207
  514    HE1  HIS  67           HE1      HIS  67   2.919  15.540   4.265
  515    H    ALA  68           H        ALA  68   7.499  16.350   4.862
  516    HA   ALA  68           HA       ALA  68   5.942  18.160   6.573
  517    HB1  ALA  68           HB3      ALA  68   8.360  19.046   4.929
  518    HB2  ALA  68           HB1      ALA  68   7.153  20.130   5.649
  519    HB3  ALA  68           HB2      ALA  68   8.184  19.159   6.695
  520    H    ARG  69           H        ARG  69   4.635  19.620   5.189
  521    HA   ARG  69           HA       ARG  69   3.333  18.253   3.107
  522    HB2  ARG  69           HB2      ARG  69   3.572  21.203   3.787
  523    HB3  ARG  69           HB3      ARG  69   2.599  20.643   2.418
  524    HG2  ARG  69           HG2      ARG  69   1.215  19.262   3.928
  525    HG3  ARG  69           HG3      ARG  69   2.203  19.756   5.310
  526    HD2  ARG  69           HD2      ARG  69   0.144  21.039   5.272
  527    HD3  ARG  69           HD3      ARG  69   1.514  22.105   4.999
  528    HE   ARG  69           HE       ARG  69  -0.491  21.166   2.993
  529   HH11  ARG  69          HH11      ARG  69   2.077  23.491   3.802
  530   HH12  ARG  69          HH12      ARG  69   1.781  24.500   2.437
  531   HH21  ARG  69          HH21      ARG  69  -0.873  22.506   1.180
  532   HH22  ARG  69          HH22      ARG  69   0.063  23.926   0.918
  533    HA   PRO  70           HA       PRO  70   6.097  18.159  -0.326
  534    HB2  PRO  70           HB2      PRO  70   3.694  19.295  -1.845
  535    HB3  PRO  70           HB3      PRO  70   4.838  18.049  -2.392
  536    HG2  PRO  70           HG2      PRO  70   2.449  17.330  -1.346
  537    HG3  PRO  70           HG3      PRO  70   3.917  16.453  -0.811
  538    HD2  PRO  70           HD2      PRO  70   2.386  18.605   0.632
  539    HD3  PRO  70           HD3      PRO  70   3.207  17.150   1.276
  540    H    GLU  71           H        GLU  71   4.011  21.087  -0.180
  541    HA   GLU  71           HA       GLU  71   5.509  22.837  -1.761
  542    HB2  GLU  71           HB2      GLU  71   3.717  23.436   0.635
  543    HB3  GLU  71           HB3      GLU  71   4.191  24.607  -0.592
  544    HG2  GLU  71           HG2      GLU  71   2.481  22.125  -1.055
  545    HG3  GLU  71           HG3      GLU  71   1.905  23.778  -0.937
  546    H    CYS  72           H        CYS  72   6.459  21.615   1.316
  547    HA   CYS  72           HA       CYS  72   7.813  24.034   2.254
  548    HB2  CYS  72           HB2      CYS  72   8.006  21.147   3.230
  549    HB3  CYS  72           HB3      CYS  72   8.638  22.588   4.045
  550    HG   CYS  72           HG       CYS  72   5.576  21.663   3.342
  551    H    GLY  73           H        GLY  73   8.528  21.726  -0.151
  552    HA2  GLY  73           HA2      GLY  73  10.676  22.508  -1.287
  553    HA3  GLY  73           HA3      GLY  73  11.483  22.035   0.214
  554    H    ALA  74           H        ALA  74   8.792  19.979  -0.867
  555    HA   ALA  74           HA       ALA  74  10.664  17.774  -1.407
  556    HB1  ALA  74           HB3      ALA  74   7.690  17.958  -1.907
  557    HB2  ALA  74           HB1      ALA  74   8.697  16.498  -1.939
  558    HB3  ALA  74           HB2      ALA  74   8.433  17.338  -0.402
  559    H    LEU  75           H        LEU  75  11.054  16.877  -3.383
  560    HA   LEU  75           HA       LEU  75  10.431  18.517  -5.804
  561    HB2  LEU  75           HB2      LEU  75  13.037  17.114  -5.101
  562    HB3  LEU  75           HB3      LEU  75  12.713  17.987  -6.587
  563    HG   LEU  75           HG       LEU  75  12.804  19.256  -3.808
  564   HD11  LEU  75          HD11      LEU  75  14.970  20.200  -4.583
  565   HD12  LEU  75          HD12      LEU  75  15.004  18.441  -4.465
  566   HD13  LEU  75          HD13      LEU  75  14.863  19.214  -6.057
  567   HD21  LEU  75          HD23      LEU  75  12.679  20.532  -6.585
  568   HD22  LEU  75          HD21      LEU  75  11.385  20.551  -5.370
  569   HD23  LEU  75          HD22      LEU  75  12.897  21.401  -5.050
  570    H    LYS  76           H        LYS  76  11.111  15.304  -4.404
  571    HA   LYS  76           HA       LYS  76   9.628  14.035  -6.590
  572    HB2  LYS  76           HB2      LYS  76  12.368  13.175  -5.619
  573    HB3  LYS  76           HB3      LYS  76  11.359  12.246  -6.731
  574    HG2  LYS  76           HG2      LYS  76  11.542  14.081  -8.399
  575    HG3  LYS  76           HG3      LYS  76  12.580  14.993  -7.291
  576    HD2  LYS  76           HD2      LYS  76  13.264  12.244  -8.416
  577    HD3  LYS  76           HD3      LYS  76  13.832  13.792  -9.067
  578    HE2  LYS  76           HE2      LYS  76  14.847  14.318  -6.824
  579    HE3  LYS  76           HE3      LYS  76  14.411  12.691  -6.277
  580    HZ1  LYS  76           HZ3      LYS  76  16.243  13.314  -8.518
  581    HZ2  LYS  76           HZ1      LYS  76  16.685  12.812  -7.027
  582    HZ3  LYS  76           HZ2      LYS  76  15.850  11.801  -8.016
  583    H    THR  77           H        THR  77   8.824  11.853  -5.891
  584    HA   THR  77           HA       THR  77   8.354  11.824  -3.066
  585    HB   THR  77           HB       THR  77   7.303  10.224  -5.419
  586    HG1  THR  77           HG1      THR  77   5.926  11.755  -5.658
  587   HG21  THR  77          HG23      THR  77   6.191  10.499  -2.599
  588   HG22  THR  77          HG21      THR  77   5.459   9.591  -3.951
  589   HG23  THR  77          HG22      THR  77   6.988   9.051  -3.258
  590    H    GLY  78           H        GLY  78   9.323  10.464  -1.591
  591    HA2  GLY  78           HA2      GLY  78  10.403   7.878  -2.222
  592    HA3  GLY  78           HA3      GLY  78  11.682   9.096  -2.101
  593    H    MET  79           H        MET  79  12.020   7.319  -0.230
  594    HA   MET  79           HA       MET  79  11.098   8.510   2.306
  595    HB2  MET  79           HB2      MET  79  10.799   5.600   1.451
  596    HB3  MET  79           HB3      MET  79  10.760   6.108   3.136
  597    HG2  MET  79           HG2      MET  79   8.793   7.487   2.756
  598    HG3  MET  79           HG3      MET  79   8.789   7.047   1.044
  599    HE1  MET  79           HE3      MET  79   6.845   5.836   0.513
  600    HE2  MET  79           HE1      MET  79   6.043   4.570   1.466
  601    HE3  MET  79           HE2      MET  79   6.020   6.261   2.020
  602    H    SER  80           H        SER  80  12.288   7.389   4.162
  603    HA   SER  80           HA       SER  80  14.694   5.945   3.585
  604    HB2  SER  80           HB2      SER  80  14.896   8.791   4.646
  605    HB3  SER  80           HB3      SER  80  16.183   7.586   4.857
  606    HG   SER  80           HG       SER  80  15.117   7.906   2.294
  607    H    LEU  81           H        LEU  81  15.782   5.399   5.738
  608    HA   LEU  81           HA       LEU  81  13.870   5.103   7.986
  609    HB2  LEU  81           HB2      LEU  81  13.746   3.239   6.381
  610    HB3  LEU  81           HB3      LEU  81  15.484   3.063   6.389
  611    HG   LEU  81           HG       LEU  81  15.569   2.043   8.448
  612   HD11  LEU  81          HD11      LEU  81  12.633   2.680   8.913
  613   HD12  LEU  81          HD12      LEU  81  13.666   1.724   9.964
  614   HD13  LEU  81          HD13      LEU  81  13.974   3.444   9.783
  615   HD21  LEU  81          HD23      LEU  81  14.080   0.109   8.010
  616   HD22  LEU  81          HD21      LEU  81  12.993   1.139   7.075
  617   HD23  LEU  81          HD22      LEU  81  14.606   0.806   6.453
  618    H    THR  82           H        THR  82  14.879   5.469   9.917
  619    HA   THR  82           HA       THR  82  17.849   5.288  10.120
  620    HB   THR  82           HB       THR  82  15.995   7.429  11.273
  621    HG1  THR  82           HG1      THR  82  16.447   7.607   9.016
  622   HG21  THR  82          HG23      THR  82  19.019   7.083  11.446
  623   HG22  THR  82          HG21      THR  82  18.139   8.566  11.901
  624   HG23  THR  82          HG22      THR  82  17.845   7.066  12.790
  625    H    LEU  83           H        LEU  83  18.544   4.385  12.077
  626    HA   LEU  83           HA       LEU  83  16.520   3.960  14.170
  627    HB2  LEU  83           HB2      LEU  83  16.875   1.793  12.803
  628    HB3  LEU  83           HB3      LEU  83  18.554   1.842  13.336
  629    HG   LEU  83           HG       LEU  83  17.583   1.901  15.763
  630   HD11  LEU  83          HD11      LEU  83  15.216   2.391  14.919
  631   HD12  LEU  83          HD12      LEU  83  15.128   0.697  14.408
  632   HD13  LEU  83          HD13      LEU  83  15.390   1.130  16.129
  633   HD21  LEU  83          HD23      LEU  83  17.229  -0.560  14.056
  634   HD22  LEU  83          HD21      LEU  83  18.733  -0.046  14.847
  635   HD23  LEU  83          HD22      LEU  83  17.338  -0.541  15.826
  636    H    LEU  84           H        LEU  84  17.389   4.146  16.223
  637    HA   LEU  84           HA       LEU  84  20.246   5.027  16.442
  638    HB2  LEU  84           HB2      LEU  84  17.871   5.665  18.254
  639    HB3  LEU  84           HB3      LEU  84  19.545   6.065  18.545
  640    HG   LEU  84           HG       LEU  84  18.574   8.029  18.008
  641   HD11  LEU  84          HD11      LEU  84  20.746   7.569  16.841
  642   HD12  LEU  84          HD12      LEU  84  19.830   7.123  15.383
  643   HD13  LEU  84          HD13      LEU  84  19.756   8.777  16.001
  644   HD21  LEU  84          HD23      LEU  84  17.332   6.838  15.491
  645   HD22  LEU  84          HD21      LEU  84  16.478   7.292  16.982
  646   HD23  LEU  84          HD22      LEU  84  17.259   8.536  16.000
  647    H    GLU  85           H        GLU  85  21.508   3.796  17.827
  648    HA   GLU  85           HA       GLU  85  20.387   1.578  19.286
  649    HB2  GLU  85           HB2      GLU  85  23.089   2.959  19.551
  650    HB3  GLU  85           HB3      GLU  85  22.615   1.482  20.394
  651    HG2  GLU  85           HG2      GLU  85  22.208   0.382  18.174
  652    HG3  GLU  85           HG3      GLU  85  22.829   1.825  17.371
  653    H    GLN  86           H        GLN  86  21.382   4.883  20.030
  654    HA   GLN  86           HA       GLN  86  19.871   4.873  22.599
  655    HB2  GLN  86           HB2      GLN  86  22.174   6.699  21.843
  656    HB3  GLN  86           HB3      GLN  86  21.365   6.555  23.404
  657    HG2  GLN  86           HG2      GLN  86  22.206   4.136  23.471
  658    HG3  GLN  86           HG3      GLN  86  23.191   4.534  22.051
  659   HE21  GLN  86          HE22      GLN  86  24.339   6.934  22.476
  660   HE22  GLN  86          HE21      GLN  86  25.248   6.949  23.973
  661    H    GLY  87           H        GLY  87  17.912   5.479  21.831
  662    HA2  GLY  87           HA2      GLY  87  17.179   7.274  19.864
  663    HA3  GLY  87           HA3      GLY  87  16.233   6.928  21.323
  664    H    VAL  88           H        VAL  88  16.280   9.398  19.978
  665    HA   VAL  88           HA       VAL  88  17.482  11.166  22.050
  666    HB   VAL  88           HB       VAL  88  17.321  11.691  19.049
  667   HG11  VAL  88          HG11      VAL  88  18.347  13.511  21.262
  668   HG12  VAL  88          HG12      VAL  88  18.513  13.763  19.509
  669   HG13  VAL  88          HG13      VAL  88  16.910  13.786  20.233
  670   HG21  VAL  88          HG23      VAL  88  19.160  10.234  19.520
  671   HG22  VAL  88          HG21      VAL  88  19.877  11.860  19.483
  672   HG23  VAL  88          HG22      VAL  88  19.564  11.085  21.027
  673    H    TYR  89           H        TYR  89  16.210  13.056  22.498
  674    HA   TYR  89           HA       TYR  89  13.335  12.294  22.443
  675    HB2  TYR  89           HB2      TYR  89  14.734  11.979  24.520
  676    HB3  TYR  89           HB3      TYR  89  14.877  13.717  24.626
  677    HD1  TYR  89           HD2      TYR  89  11.532  13.378  23.507
  678    HD2  TYR  89           HD1      TYR  89  14.060  12.502  26.917
  679    HE1  TYR  89           HE2      TYR  89   9.579  13.420  24.995
  680    HE2  TYR  89           HE1      TYR  89  12.087  12.539  28.397
  681    HH   TYR  89           HH       TYR  89   9.791  12.873  28.539
  682    H    PHE  90           H        PHE  90  12.698  13.480  20.723
  683    HA   PHE  90           HA       PHE  90  13.052  16.168  20.122
  684    HB2  PHE  90           HB2      PHE  90  10.576  14.410  20.115
  685    HB3  PHE  90           HB3      PHE  90  10.635  15.998  19.335
  686    HD1  PHE  90           HD2      PHE  90  12.974  16.206  17.817
  687    HD2  PHE  90           HD1      PHE  90  10.567  12.695  18.485
  688    HE1  PHE  90           HE2      PHE  90  13.865  15.207  15.750
  689    HE2  PHE  90           HE1      PHE  90  11.414  11.727  16.354
  690    HZ   PHE  90           HZ       PHE  90  13.072  12.982  14.986
  691    HA   PRO  91           HA       PRO  91  11.691  18.120  23.836
  692    HB2  PRO  91           HB2      PRO  91  10.971  20.646  22.954
  693    HB3  PRO  91           HB3      PRO  91  12.655  20.083  23.177
  694    HG2  PRO  91           HG2      PRO  91  11.029  20.142  20.628
  695    HG3  PRO  91           HG3      PRO  91  12.721  20.696  20.879
  696    HD2  PRO  91           HD2      PRO  91  12.160  18.273  19.802
  697    HD3  PRO  91           HD3      PRO  91  13.524  18.467  20.943
  698    H    GLY  92           H        GLY  92   9.838  18.013  24.977
  699    HA2  GLY  92           HA2      GLY  92   7.640  18.052  25.544
  700    HA3  GLY  92           HA3      GLY  92   7.295  18.902  24.032
  701    H    ASN  93           H        ASN  93   8.852  15.855  23.362
  702    HA   ASN  93           HA       ASN  93   6.372  14.700  22.384
  703    HB2  ASN  93           HB2      ASN  93   8.723  14.459  21.397
  704    HB3  ASN  93           HB3      ASN  93   9.061  13.339  22.715
  705   HD21  ASN  93          HD22      ASN  93   9.197  11.430  21.479
  706   HD22  ASN  93          HD21      ASN  93   7.890  10.848  20.463
  707    H    ASP  94           H        ASP  94   5.922  12.302  22.990
  708    HA   ASP  94           HA       ASP  94   5.354  12.112  25.795
  709    HB2  ASP  94           HB2      ASP  94   4.016  10.961  24.083
  710    HB3  ASP  94           HB3      ASP  94   5.405   9.955  23.657
  711    H    GLU  95           H        GLU  95   7.813  10.542  23.750
  712    HA   GLU  95           HA       GLU  95   9.716  10.344  25.931
  713    HB2  GLU  95           HB2      GLU  95   9.660   8.063  26.210
  714    HB3  GLU  95           HB3      GLU  95   7.962   8.477  25.983
  715    HG2  GLU  95           HG2      GLU  95   7.871   7.550  23.804
  716    HG3  GLU  95           HG3      GLU  95   9.622   7.375  23.737
  717    HA   PRO  96           HA       PRO  96  12.821  10.357  22.736
  718    HB2  PRO  96           HB2      PRO  96  13.873   7.659  23.521
  719    HB3  PRO  96           HB3      PRO  96  14.760   9.201  23.327
  720    HG2  PRO  96           HG2      PRO  96  14.164   8.195  25.781
  721    HG3  PRO  96           HG3      PRO  96  14.073   9.954  25.459
  722    HD2  PRO  96           HD2      PRO  96  11.823   7.946  25.567
  723    HD3  PRO  96           HD3      PRO  96  11.879   9.612  26.224
  724    H    ILE  97           H        ILE  97  13.404   9.516  20.651
  725    HA   ILE  97           HA       ILE  97  11.690   7.272  19.662
  726    HB   ILE  97           HB       ILE  97  12.778   9.704  18.204
  727   HG12  ILE  97          HG12      ILE  97  10.923  10.405  19.547
  728   HG13  ILE  97          HG13      ILE  97  10.376  10.298  17.888
  729   HG21  ILE  97          HG21      ILE  97  12.767   7.735  16.694
  730   HG22  ILE  97          HG22      ILE  97  11.073   7.424  17.104
  731   HG23  ILE  97          HG23      ILE  97  11.529   8.901  16.252
  732   HD11  ILE  97          HD13      ILE  97   9.248   8.131  18.398
  733   HD12  ILE  97          HD11      ILE  97   9.756   8.295  20.104
  734   HD13  ILE  97          HD12      ILE  97   8.659   9.460  19.397
  735    H    LYS  98           H        LYS  98  12.689   5.572  18.854
  736    HA   LYS  98           HA       LYS  98  15.659   5.660  18.522
  737    HB2  LYS  98           HB2      LYS  98  13.746   3.453  19.342
  738    HB3  LYS  98           HB3      LYS  98  15.284   3.063  18.564
  739    HG2  LYS  98           HG2      LYS  98  16.546   4.219  20.293
  740    HG3  LYS  98           HG3      LYS  98  15.060   4.801  21.052
  741    HD2  LYS  98           HD2      LYS  98  16.009   2.919  22.305
  742    HD3  LYS  98           HD3      LYS  98  14.406   2.561  21.683
  743    HE2  LYS  98           HE2      LYS  98  15.813   0.611  21.478
  744    HE3  LYS  98           HE3      LYS  98  15.364   1.183  19.874
  745    HZ1  LYS  98           HZ3      LYS  98  17.713   0.553  20.084
  746    HZ2  LYS  98           HZ1      LYS  98  17.576   2.112  19.621
  747    HZ3  LYS  98           HZ2      LYS  98  17.990   1.746  21.167
  748    H    LEU  99           H        LEU  99  12.632   5.462  16.788
  749    HA   LEU  99           HA       LEU  99  14.096   4.495  14.388
  750    HB2  LEU  99           HB2      LEU  99  12.931   2.595  15.445
  751    HB3  LEU  99           HB3      LEU  99  11.484   3.578  15.661
  752    HG   LEU  99           HG       LEU  99  11.094   3.601  13.224
  753   HD11  LEU  99          HD11      LEU  99  13.370   3.277  12.339
  754   HD12  LEU  99          HD12      LEU  99  13.478   1.679  13.095
  755   HD13  LEU  99          HD13      LEU  99  12.318   1.976  11.792
  756   HD21  LEU  99          HD23      LEU  99  10.280   1.337  13.127
  757   HD22  LEU  99          HD21      LEU  99  11.462   0.803  14.353
  758   HD23  LEU  99          HD22      LEU  99  10.131   1.882  14.786
  759    H    LEU 100           H        LEU 100  13.670   5.599  12.575
  760    HA   LEU 100           HA       LEU 100  11.279   7.372  12.516
  761    HB2  LEU 100           HB2      LEU 100  14.022   8.325  11.628
  762    HB3  LEU 100           HB3      LEU 100  12.540   9.233  11.712
  763    HG   LEU 100           HG       LEU 100  12.753   8.452  14.319
  764   HD11  LEU 100          HD11      LEU 100  14.968   7.333  13.953
  765   HD12  LEU 100          HD12      LEU 100  15.632   8.901  13.449
  766   HD13  LEU 100          HD13      LEU 100  15.040   8.671  15.108
  767   HD21  LEU 100          HD23      LEU 100  13.507  10.619  14.927
  768   HD22  LEU 100          HD21      LEU 100  14.164  10.919  13.310
  769   HD23  LEU 100          HD22      LEU 100  12.407  10.768  13.546
  770    H    ILE 101           H        ILE 101  10.305   7.408  10.505
  771    HA   ILE 101           HA       ILE 101  11.928   6.477   8.208
  772    HB   ILE 101           HB       ILE 101   9.112   5.687   8.964
  773   HG12  ILE 101          HG12      ILE 101  11.560   4.474   7.584
  774   HG13  ILE 101          HG13      ILE 101  11.046   4.225   9.255
  775   HG21  ILE 101          HG21      ILE 101   8.487   5.180   6.662
  776   HG22  ILE 101          HG22      ILE 101   8.686   6.905   6.870
  777   HG23  ILE 101          HG23      ILE 101   9.965   5.970   6.055
  778   HD11  ILE 101          HD13      ILE 101   9.129   2.929   8.474
  779   HD12  ILE 101          HD11      ILE 101   9.601   3.228   6.774
  780   HD13  ILE 101          HD12      ILE 101  10.650   2.287   7.825
  781    H    GLY 102           H        GLY 102  12.333   7.949   6.784
  782    HA2  GLY 102           HA2      GLY 102  11.035  10.589   6.925
  783    HA3  GLY 102           HA3      GLY 102  12.392  10.122   5.893
  784    H    LEU 103           H        LEU 103   9.667  11.312   5.210
  785    HA   LEU 103           HA       LEU 103   9.335   9.678   2.783
  786    HB2  LEU 103           HB2      LEU 103   7.460   9.059   4.477
  787    HB3  LEU 103           HB3      LEU 103   6.954  10.727   4.364
  788    HG   LEU 103           HG       LEU 103   6.707   8.472   2.324
  789   HD11  LEU 103          HD11      LEU 103   4.375   9.102   2.497
  790   HD12  LEU 103          HD12      LEU 103   4.967   9.208   4.153
  791   HD13  LEU 103          HD13      LEU 103   4.757  10.674   3.221
  792   HD21  LEU 103          HD23      LEU 103   5.690  10.182   0.745
  793   HD22  LEU 103          HD21      LEU 103   6.507  11.435   1.665
  794   HD23  LEU 103          HD22      LEU 103   7.430  10.124   0.843
  795    H    SER 104           H        SER 104   9.248  11.119   1.040
  796    HA   SER 104           HA       SER 104   8.508  13.941   1.488
  797    HB2  SER 104           HB2      SER 104  10.213  14.656  -0.102
  798    HB3  SER 104           HB3      SER 104  10.953  13.920   1.330
  799    HG   SER 104           HG       SER 104  10.795  12.964  -1.313
  800    H    ALA 105           H        ALA 105   7.294  14.757  -0.382
  801    HA   ALA 105           HA       ALA 105   6.714  12.791  -2.504
  802    HB1  ALA 105           HB3      ALA 105   4.628  13.960  -0.627
  803    HB2  ALA 105           HB1      ALA 105   4.285  13.042  -2.108
  804    HB3  ALA 105           HB2      ALA 105   5.093  12.241  -0.742
  805    H    ALA 106           H        ALA 106   6.288  13.786  -4.418
  806    HA   ALA 106           HA       ALA 106   6.705  16.641  -4.541
  807    HB1  ALA 106           HB3      ALA 106   7.602  15.102  -6.260
  808    HB2  ALA 106           HB1      ALA 106   5.947  14.625  -6.711
  809    HB3  ALA 106           HB2      ALA 106   6.507  16.289  -6.988
  810    H    ASP 107           H        ASP 107   3.875  14.560  -4.375
  811    HA   ASP 107           HA       ASP 107   2.099  16.927  -4.602
  812    HB2  ASP 107           HB2      ASP 107   2.182  15.976  -6.876
  813    HB3  ASP 107           HB3      ASP 107   1.786  14.380  -6.242
  814    H    ALA 108           H        ALA 108  -0.022  16.532  -3.639
  815    HA   ALA 108           HA       ALA 108   0.156  15.177  -1.190
  816    HB1  ALA 108           HB3      ALA 108  -2.235  15.730  -0.959
  817    HB2  ALA 108           HB1      ALA 108  -1.318  17.111  -1.590
  818    HB3  ALA 108           HB2      ALA 108  -2.322  16.128  -2.687
  819    H    ASP 109           H        ASP 109  -1.158  13.998  -4.312
  820    HA   ASP 109           HA       ASP 109  -2.376  11.647  -3.033
  821    HB2  ASP 109           HB2      ASP 109  -3.345  12.462  -5.054
  822    HB3  ASP 109           HB3      ASP 109  -1.798  12.313  -5.921
  823    H    SER 110           H        SER 110   0.730  12.464  -4.543
  824    HA   SER 110           HA       SER 110   1.828   9.807  -4.472
  825    HB2  SER 110           HB2      SER 110   3.377  12.409  -4.174
  826    HB3  SER 110           HB3      SER 110   3.937  10.863  -4.810
  827    HG   SER 110           HG       SER 110   2.546  11.129  -6.581
  828    H    HIS 111           H        HIS 111   1.699  12.506  -2.086
  829    HA   HIS 111           HA       HIS 111   3.075  11.215   0.040
  830    HB2  HIS 111           HB2      HIS 111   2.637  13.516   0.325
  831    HB3  HIS 111           HB3      HIS 111   0.955  13.357  -0.103
  832    HD1  HIS 111           HD1      HIS 111   3.210  13.086   2.940
  833    HD2  HIS 111           HD2      HIS 111  -0.809  12.686   1.765
  834    HE1  HIS 111           HE1      HIS 111   1.853  12.908   5.079
  835    H    ILE 112           H        ILE 112  -0.448  11.171  -0.777
  836    HA   ILE 112           HA       ILE 112  -1.257   9.449   1.310
  837    HB   ILE 112           HB       ILE 112  -2.294   9.913  -1.510
  838   HG12  ILE 112          HG12      ILE 112  -2.430  11.781   0.210
  839   HG13  ILE 112          HG13      ILE 112  -3.913  11.332  -0.613
  840   HG21  ILE 112          HG21      ILE 112  -3.093   7.723  -1.045
  841   HG22  ILE 112          HG22      ILE 112  -3.591   8.175   0.600
  842   HG23  ILE 112          HG23      ILE 112  -4.433   8.848  -0.822
  843   HD11  ILE 112          HD13      ILE 112  -3.146  10.434   2.191
  844   HD12  ILE 112          HD11      ILE 112  -4.200  11.810   1.787
  845   HD13  ILE 112          HD12      ILE 112  -4.708  10.168   1.368
  846    H    GLY 113           H        GLY 113  -0.251   8.512  -2.065
  847    HA2  GLY 113           HA2      GLY 113  -0.539   5.738  -1.658
  848    HA3  GLY 113           HA3      GLY 113   0.532   6.502  -2.853
  849    H    ALA 114           H        ALA 114   2.249   7.874  -1.022
  850    HA   ALA 114           HA       ALA 114   4.154   5.823  -0.372
  851    HB1  ALA 114           HB3      ALA 114   4.769   8.101  -1.092
  852    HB2  ALA 114           HB1      ALA 114   3.970   8.788   0.323
  853    HB3  ALA 114           HB2      ALA 114   5.417   7.778   0.516
  854    H    ILE 115           H        ILE 115   2.135   7.989   1.738
  855    HA   ILE 115           HA       ILE 115   2.840   7.010   4.196
  856    HB   ILE 115           HB       ILE 115   0.476   8.248   2.985
  857   HG12  ILE 115          HG12      ILE 115   2.403   9.688   3.591
  858   HG13  ILE 115          HG13      ILE 115   0.898  10.145   4.370
  859   HG21  ILE 115          HG21      ILE 115   0.431   7.146   5.752
  860   HG22  ILE 115          HG22      ILE 115  -0.633   8.494   5.212
  861   HG23  ILE 115          HG23      ILE 115  -0.720   6.929   4.406
  862   HD11  ILE 115          HD13      ILE 115   1.604   9.201   6.481
  863   HD12  ILE 115          HD11      ILE 115   3.092   8.580   5.726
  864   HD13  ILE 115          HD12      ILE 115   2.830  10.326   5.872
  865    H    GLN 116           H        GLN 116   0.261   5.892   1.902
  866    HA   GLN 116           HA       GLN 116  -0.748   3.845   3.621
  867    HB2  GLN 116           HB2      GLN 116  -0.950   4.362   0.627
  868    HB3  GLN 116           HB3      GLN 116  -1.774   3.010   1.401
  869    HG2  GLN 116           HG2      GLN 116  -2.142   5.925   2.194
  870    HG3  GLN 116           HG3      GLN 116  -3.203   5.053   1.097
  871   HE21  GLN 116          HE22      GLN 116  -3.332   6.230   4.075
  872   HE22  GLN 116          HE21      GLN 116  -4.174   4.962   4.923
  873    H    ALA 117           H        ALA 117   2.195   3.921   1.828
  874    HA   ALA 117           HA       ALA 117   2.378   1.004   1.716
  875    HB1  ALA 117           HB3      ALA 117   4.470   1.372   0.483
  876    HB2  ALA 117           HB1      ALA 117   3.226   2.414  -0.241
  877    HB3  ALA 117           HB2      ALA 117   4.431   3.100   0.848
  878    H    LEU 118           H        LEU 118   3.803   3.861   3.360
  879    HA   LEU 118           HA       LEU 118   5.583   2.120   4.817
  880    HB2  LEU 118           HB2      LEU 118   6.298   4.054   5.965
  881    HB3  LEU 118           HB3      LEU 118   6.144   4.334   4.217
  882    HG   LEU 118           HG       LEU 118   4.025   5.440   4.577
  883   HD11  LEU 118          HD11      LEU 118   3.486   6.484   6.685
  884   HD12  LEU 118          HD12      LEU 118   3.510   4.789   7.021
  885   HD13  LEU 118          HD13      LEU 118   4.910   5.753   7.479
  886   HD21  LEU 118          HD23      LEU 118   6.059   6.697   4.130
  887   HD22  LEU 118          HD21      LEU 118   5.162   7.555   5.385
  888   HD23  LEU 118          HD22      LEU 118   6.563   6.585   5.822
  889    H    SER 119           H        SER 119   2.389   3.344   5.296
  890    HA   SER 119           HA       SER 119   1.987   2.623   7.976
  891    HB2  SER 119           HB2      SER 119  -0.003   2.351   5.686
  892    HB3  SER 119           HB3      SER 119  -0.409   2.325   7.413
  893    HG   SER 119           HG       SER 119   0.750   4.453   5.925
  894    H    GLU 120           H        GLU 120   2.532   0.402   5.286
  895    HA   GLU 120           HA       GLU 120   1.430  -1.935   6.527
  896    HB2  GLU 120           HB2      GLU 120   3.702  -1.659   4.534
  897    HB3  GLU 120           HB3      GLU 120   2.921  -3.170   4.964
  898    HG2  GLU 120           HG2      GLU 120   1.398  -0.822   3.776
  899    HG3  GLU 120           HG3      GLU 120   2.141  -2.072   2.788
  900    H    LEU 121           H        LEU 121   4.198   0.029   7.036
  901    HA   LEU 121           HA       LEU 121   5.595  -1.996   8.720
  902    HB2  LEU 121           HB2      LEU 121   6.614   0.655   7.617
  903    HB3  LEU 121           HB3      LEU 121   7.558  -0.539   8.487
  904    HG   LEU 121           HG       LEU 121   6.384  -0.691   5.691
  905   HD11  LEU 121          HD11      LEU 121   8.505   0.512   5.944
  906   HD12  LEU 121          HD12      LEU 121   9.237  -0.891   6.755
  907   HD13  LEU 121          HD13      LEU 121   8.759  -0.997   5.051
  908   HD21  LEU 121          HD23      LEU 121   7.306  -2.951   5.405
  909   HD22  LEU 121          HD21      LEU 121   7.855  -2.997   7.079
  910   HD23  LEU 121          HD22      LEU 121   6.118  -2.985   6.706
  911    H    LEU 122           H        LEU 122   5.026   1.584   8.836
  912    HA   LEU 122           HA       LEU 122   5.550   1.920  11.575
  913    HB2  LEU 122           HB2      LEU 122   3.800   3.430   9.571
  914    HB3  LEU 122           HB3      LEU 122   3.883   3.933  11.232
  915    HG   LEU 122           HG       LEU 122   5.307   5.294   9.857
  916   HD11  LEU 122          HD11      LEU 122   5.974   4.856  12.214
  917   HD12  LEU 122          HD12      LEU 122   7.066   3.572  11.645
  918   HD13  LEU 122          HD13      LEU 122   7.339   5.254  11.159
  919   HD21  LEU 122          HD23      LEU 122   7.278   4.498   8.737
  920   HD22  LEU 122          HD21      LEU 122   6.996   2.832   9.286
  921   HD23  LEU 122          HD22      LEU 122   5.889   3.613   8.137
  922    H    CYS 123           H        CYS 123   2.514   0.766  10.145
  923    HA   CYS 123           HA       CYS 123   1.207   1.142  12.794
  924    HB2  CYS 123           HB2      CYS 123  -0.066   0.511  10.101
  925    HB3  CYS 123           HB3      CYS 123  -0.912   0.879  11.601
  926    HG   CYS 123           HG       CYS 123   1.240   2.838  10.015
  927    H    GLU 124           H        GLU 124   3.185  -0.936  12.205
  928    HA   GLU 124           HA       GLU 124   1.525  -3.312  12.749
  929    HB2  GLU 124           HB2      GLU 124   2.052  -3.008  10.254
  930    HB3  GLU 124           HB3      GLU 124   3.739  -3.307  10.666
  931    HG2  GLU 124           HG2      GLU 124   2.751  -5.333   9.892
  932    HG3  GLU 124           HG3      GLU 124   3.079  -5.510  11.623
  933    H    GLU 125           H        GLU 125   2.100  -3.394  14.845
  934    HA   GLU 125           HA       GLU 125   4.565  -2.744  15.916
  935    HB2  GLU 125           HB2      GLU 125   3.835  -3.847  17.940
  936    HB3  GLU 125           HB3      GLU 125   2.513  -2.943  17.206
  937    HG2  GLU 125           HG2      GLU 125   1.619  -5.089  16.245
  938    HG3  GLU 125           HG3      GLU 125   2.911  -5.967  17.066
  939    H    GLU 126           H        GLU 126   3.683  -5.734  14.320
  940    HA   GLU 126           HA       GLU 126   5.780  -7.375  15.323
  941    HB2  GLU 126           HB2      GLU 126   4.461  -7.477  12.573
  942    HB3  GLU 126           HB3      GLU 126   5.410  -8.761  13.335
  943    HG2  GLU 126           HG2      GLU 126   3.710  -8.765  15.221
  944    HG3  GLU 126           HG3      GLU 126   2.730  -7.658  14.248
  945    H    ILE 127           H        ILE 127   5.542  -5.158  12.556
  946    HA   ILE 127           HA       ILE 127   8.251  -5.546  11.613
  947    HB   ILE 127           HB       ILE 127   6.040  -3.620  11.027
  948   HG12  ILE 127          HG12      ILE 127   6.201  -4.455   8.786
  949   HG13  ILE 127          HG13      ILE 127   7.684  -5.350   9.148
  950   HG21  ILE 127          HG21      ILE 127   8.933  -3.294  10.292
  951   HG22  ILE 127          HG22      ILE 127   7.646  -2.649   9.272
  952   HG23  ILE 127          HG23      ILE 127   7.787  -2.094  10.938
  953   HD11  ILE 127          HD13      ILE 127   4.965  -5.990  10.329
  954   HD12  ILE 127          HD11      ILE 127   5.642  -6.765   8.884
  955   HD13  ILE 127          HD12      ILE 127   6.444  -6.978  10.447
  956    H    LEU 128           H        LEU 128   6.548  -3.111  13.665
  957    HA   LEU 128           HA       LEU 128   8.694  -1.379  13.972
  958    HB2  LEU 128           HB2      LEU 128   6.647  -2.080  16.119
  959    HB3  LEU 128           HB3      LEU 128   7.726  -0.700  16.163
  960    HG   LEU 128           HG       LEU 128   5.492  -1.127  14.146
  961   HD11  LEU 128          HD11      LEU 128   4.495   0.836  15.239
  962   HD12  LEU 128          HD12      LEU 128   4.713  -0.493  16.380
  963   HD13  LEU 128          HD13      LEU 128   5.828   0.878  16.410
  964   HD21  LEU 128          HD23      LEU 128   6.099   1.278  13.522
  965   HD22  LEU 128          HD21      LEU 128   7.670   0.975  14.289
  966   HD23  LEU 128          HD22      LEU 128   7.147  -0.003  12.903
  967    H    GLU 129           H        GLU 129   8.109  -4.324  15.888
  968    HA   GLU 129           HA       GLU 129  10.314  -3.858  17.641
  969    HB2  GLU 129           HB2      GLU 129   8.526  -6.201  17.014
  970    HB3  GLU 129           HB3      GLU 129  10.073  -6.518  17.816
  971    HG2  GLU 129           HG2      GLU 129   9.567  -4.902  19.579
  972    HG3  GLU 129           HG3      GLU 129   8.004  -4.534  18.831
  973    H    GLN 130           H        GLN 130  10.016  -5.498  14.443
  974    HA   GLN 130           HA       GLN 130  12.589  -6.761  14.670
  975    HB2  GLN 130           HB2      GLN 130  10.592  -6.300  12.430
  976    HB3  GLN 130           HB3      GLN 130  12.152  -7.115  12.164
  977    HG2  GLN 130           HG2      GLN 130  11.641  -8.849  13.735
  978    HG3  GLN 130           HG3      GLN 130  10.144  -8.054  14.230
  979   HE21  GLN 130          HE22      GLN 130   8.316  -8.158  12.884
  980   HE22  GLN 130          HE21      GLN 130   8.203  -9.271  11.525
  981    H    LEU 131           H        LEU 131  11.369  -3.661  13.375
  982    HA   LEU 131           HA       LEU 131  13.927  -2.791  12.281
  983    HB2  LEU 131           HB2      LEU 131  11.573  -1.218  13.373
  984    HB3  LEU 131           HB3      LEU 131  12.925  -0.517  12.490
  985    HG   LEU 131           HG       LEU 131  11.109  -2.658  11.267
  986   HD11  LEU 131          HD11      LEU 131   9.737  -0.857  10.344
  987   HD12  LEU 131          HD12      LEU 131   9.750  -0.814  12.130
  988   HD13  LEU 131          HD13      LEU 131  10.718   0.350  11.190
  989   HD21  LEU 131          HD23      LEU 131  11.801  -1.761   9.141
  990   HD22  LEU 131          HD21      LEU 131  12.640  -0.419   9.918
  991   HD23  LEU 131          HD22      LEU 131  13.264  -2.082  10.091
  992    H    LEU 132           H        LEU 132  12.095  -2.066  15.285
  993    HA   LEU 132           HA       LEU 132  14.048  -0.499  16.526
  994    HB2  LEU 132           HB2      LEU 132  11.860  -2.218  17.700
  995    HB3  LEU 132           HB3      LEU 132  12.931  -1.322  18.749
  996    HG   LEU 132           HG       LEU 132  11.355   0.069  16.558
  997   HD11  LEU 132          HD11      LEU 132  10.603  -0.297  19.490
  998   HD12  LEU 132          HD12      LEU 132   9.745   0.715  18.305
  999   HD13  LEU 132          HD13      LEU 132   9.783  -1.042  18.101
 1000   HD21  LEU 132          HD23      LEU 132  11.768   2.079  17.922
 1001   HD22  LEU 132          HD21      LEU 132  12.679   1.112  19.101
 1002   HD23  LEU 132          HD22      LEU 132  13.299   1.335  17.453
 1003    H    THR 133           H        THR 133  14.201  -3.969  16.209
 1004    HA   THR 133           HA       THR 133  16.428  -4.060  18.166
 1005    HB   THR 133           HB       THR 133  15.908  -6.451  18.377
 1006    HG1  THR 133           HG1      THR 133  13.558  -5.877  16.907
 1007   HG21  THR 133          HG23      THR 133  13.863  -6.270  19.684
 1008   HG22  THR 133          HG21      THR 133  14.864  -4.835  19.954
 1009   HG23  THR 133          HG22      THR 133  13.430  -4.738  18.911
 1010    H    ALA 134           H        ALA 134  16.171  -3.512  15.007
 1011    HA   ALA 134           HA       ALA 134  17.630  -5.518  13.688
 1012    HB1  ALA 134           HB3      ALA 134  18.185  -3.635  12.090
 1013    HB2  ALA 134           HB1      ALA 134  16.450  -3.859  12.433
 1014    HB3  ALA 134           HB2      ALA 134  17.370  -2.535  13.193
 1015    H    SER 135           H        SER 135  19.651  -6.152  13.812
 1016    HA   SER 135           HA       SER 135  21.610  -4.711  15.470
 1017    HB2  SER 135           HB2      SER 135  21.757  -7.353  13.953
 1018    HB3  SER 135           HB3      SER 135  22.967  -6.742  15.095
 1019    HG   SER 135           HG       SER 135  20.233  -7.274  15.710
 1020    H    SER 136           H        SER 136  20.695  -4.651  12.135
 1021    HA   SER 136           HA       SER 136  23.176  -3.257  11.408
 1022    HB2  SER 136           HB2      SER 136  23.527  -4.776   9.461
 1023    HB3  SER 136           HB3      SER 136  23.733  -5.610  11.005
 1024    HG   SER 136           HG       SER 136  22.474  -6.899   9.725
 1025    H    GLU 137           H        GLU 137  22.985  -2.149   9.368
 1026    HA   GLU 137           HA       GLU 137  20.422  -1.094   8.652
 1027    HB2  GLU 137           HB2      GLU 137  23.124  -1.227   7.246
 1028    HB3  GLU 137           HB3      GLU 137  21.716  -0.395   6.531
 1029    HG2  GLU 137           HG2      GLU 137  21.520   1.126   8.207
 1030    HG3  GLU 137           HG3      GLU 137  22.666   0.286   9.279
 1031    H    LYS 138           H        LYS 138  22.248  -3.969   7.572
 1032    HA   LYS 138           HA       LYS 138  20.651  -4.601   5.330
 1033    HB2  LYS 138           HB2      LYS 138  22.012  -6.533   7.258
 1034    HB3  LYS 138           HB3      LYS 138  21.442  -6.928   5.647
 1035    HG2  LYS 138           HG2      LYS 138  23.721  -5.037   6.371
 1036    HG3  LYS 138           HG3      LYS 138  23.862  -6.634   5.655
 1037    HD2  LYS 138           HD2      LYS 138  22.669  -4.168   4.311
 1038    HD3  LYS 138           HD3      LYS 138  24.253  -4.882   4.003
 1039    HE2  LYS 138           HE2      LYS 138  23.157  -6.993   3.247
 1040    HE3  LYS 138           HE3      LYS 138  21.571  -6.251   3.497
 1041    HZ1  LYS 138           HZ3      LYS 138  22.156  -4.600   1.807
 1042    HZ2  LYS 138           HZ1      LYS 138  23.618  -5.296   1.578
 1043    HZ3  LYS 138           HZ2      LYS 138  22.260  -6.105   1.192
 1044    H    GLN 139           H        GLN 139  20.091  -5.348   8.802
 1045    HA   GLN 139           HA       GLN 139  17.781  -6.891   8.325
 1046    HB2  GLN 139           HB2      GLN 139  19.333  -6.147  10.537
 1047    HB3  GLN 139           HB3      GLN 139  17.787  -5.340  10.837
 1048    HG2  GLN 139           HG2      GLN 139  16.597  -7.435  10.514
 1049    HG3  GLN 139           HG3      GLN 139  18.133  -8.263  10.158
 1050   HE21  GLN 139          HE22      GLN 139  15.962  -8.431  12.461
 1051   HE22  GLN 139          HE21      GLN 139  16.949  -8.439  13.900
 1052    H    LEU 140           H        LEU 140  18.136  -3.325   8.905
 1053    HA   LEU 140           HA       LEU 140  15.313  -2.789   8.928
 1054    HB2  LEU 140           HB2      LEU 140  17.805  -1.151   8.390
 1055    HB3  LEU 140           HB3      LEU 140  16.221  -0.426   8.272
 1056    HG   LEU 140           HG       LEU 140  16.534  -1.941  10.782
 1057   HD11  LEU 140          HD11      LEU 140  18.374   0.440  10.321
 1058   HD12  LEU 140          HD12      LEU 140  18.096  -0.398  11.866
 1059   HD13  LEU 140          HD13      LEU 140  18.884  -1.253  10.541
 1060   HD21  LEU 140          HD23      LEU 140  16.005   1.025  10.471
 1061   HD22  LEU 140          HD21      LEU 140  14.763  -0.240  10.350
 1062   HD23  LEU 140          HD22      LEU 140  15.646  -0.021  11.857
 1063    H    ALA 141           H        ALA 141  17.756  -2.475   6.303
 1064    HA   ALA 141           HA       ALA 141  16.053  -2.045   4.150
 1065    HB1  ALA 141           HB3      ALA 141  17.881  -2.880   2.767
 1066    HB2  ALA 141           HB1      ALA 141  18.538  -1.903   4.096
 1067    HB3  ALA 141           HB2      ALA 141  18.625  -3.677   4.170
 1068    H    ASP 142           H        ASP 142  16.787  -5.243   5.697
 1069    HA   ASP 142           HA       ASP 142  15.539  -6.783   3.660
 1070    HB2  ASP 142           HB2      ASP 142  16.954  -7.871   5.293
 1071    HB3  ASP 142           HB3      ASP 142  15.901  -7.370   6.619
 1072    H    ILE 143           H        ILE 143  14.227  -5.278   6.679
 1073    HA   ILE 143           HA       ILE 143  11.596  -6.279   6.364
 1074    HB   ILE 143           HB       ILE 143  12.813  -3.927   7.859
 1075   HG12  ILE 143          HG12      ILE 143  11.811  -6.599   8.952
 1076   HG13  ILE 143          HG13      ILE 143  13.485  -6.344   8.486
 1077   HG21  ILE 143          HG21      ILE 143  10.729  -3.937   9.200
 1078   HG22  ILE 143          HG22      ILE 143  10.473  -3.446   7.524
 1079   HG23  ILE 143          HG23      ILE 143  10.016  -5.089   8.045
 1080   HD11  ILE 143          HD13      ILE 143  13.451  -6.010  10.798
 1081   HD12  ILE 143          HD11      ILE 143  13.566  -4.391  10.113
 1082   HD13  ILE 143          HD12      ILE 143  12.005  -4.985  10.753
 1083    H    ILE 144           H        ILE 144  13.247  -3.358   5.145
 1084    HA   ILE 144           HA       ILE 144  10.989  -2.182   3.824
 1085    HB   ILE 144           HB       ILE 144  13.969  -2.170   3.200
 1086   HG12  ILE 144          HG12      ILE 144  13.370  -1.000   5.253
 1087   HG13  ILE 144          HG13      ILE 144  13.963   0.099   4.018
 1088   HG21  ILE 144          HG21      ILE 144  13.533  -0.228   1.680
 1089   HG22  ILE 144          HG22      ILE 144  13.048  -1.801   1.053
 1090   HG23  ILE 144          HG23      ILE 144  11.814  -0.691   1.674
 1091   HD11  ILE 144          HD13      ILE 144  11.092  -0.301   4.896
 1092   HD12  ILE 144          HD11      ILE 144  12.108   1.146   5.041
 1093   HD13  ILE 144          HD12      ILE 144  11.560   0.612   3.445
 1094    H    SER 145           H        SER 145  13.391  -4.555   2.704
 1095    HA   SER 145           HA       SER 145  12.324  -4.672   0.084
 1096    HB2  SER 145           HB2      SER 145  14.027  -6.751   1.543
 1097    HB3  SER 145           HB3      SER 145  13.810  -6.624  -0.212
 1098    HG   SER 145           HG       SER 145  15.059  -4.771   1.552
 1099    H    ARG 146           H        ARG 146  11.488  -6.463   3.019
 1100    HA   ARG 146           HA       ARG 146   9.939  -8.525   2.032
 1101    HB2  ARG 146           HB2      ARG 146  10.652  -7.438   4.481
 1102    HB3  ARG 146           HB3      ARG 146   8.947  -7.001   4.428
 1103    HG2  ARG 146           HG2      ARG 146   8.368  -9.367   4.048
 1104    HG3  ARG 146           HG3      ARG 146  10.103  -9.781   4.011
 1105    HD2  ARG 146           HD2      ARG 146   8.756  -8.431   6.389
 1106    HD3  ARG 146           HD3      ARG 146   8.881 -10.198   6.227
 1107    HE   ARG 146           HE       ARG 146  11.476  -9.108   5.873
 1108   HH11  ARG 146          HH11      ARG 146   9.085  -9.549   8.461
 1109   HH12  ARG 146          HH12      ARG 146  10.277  -9.649   9.722
 1110   HH21  ARG 146          HH21      ARG 146  13.030  -9.268   7.505
 1111   HH22  ARG 146          HH22      ARG 146  12.557  -9.493   9.170
 1112    H    GLY 147           H        GLY 147   9.226  -5.083   2.015
 1113    HA2  GLY 147           HA2      GLY 147   6.311  -5.457   1.823
 1114    HA3  GLY 147           HA3      GLY 147   7.217  -3.937   1.883
  Start of MODEL    8
    1    H    MET   1           H1       MET   1   1.462  -0.859  -0.314
    2    HA   MET   1           HA       MET   1   1.809  -1.157  -3.215
    3    HB2  MET   1           HB2      MET   1   1.661   1.295  -1.952
    4    HB3  MET   1           HB3      MET   1   3.389   0.937  -1.776
    5    HG2  MET   1           HG2      MET   1   2.894   2.221  -3.812
    6    HG3  MET   1           HG3      MET   1   3.606   0.659  -4.197
    7    HE1  MET   1           HE3      MET   1   2.920   1.082  -6.733
    8    HE2  MET   1           HE1      MET   1   1.267   1.470  -7.258
    9    HE3  MET   1           HE2      MET   1   2.183   2.635  -6.276
   10    H    ARG   2           H        ARG   2   4.078  -1.552  -3.863
   11    HA   ARG   2           HA       ARG   2   5.547  -3.244  -1.998
   12    HB2  ARG   2           HB2      ARG   2   6.184  -2.034  -4.733
   13    HB3  ARG   2           HB3      ARG   2   7.397  -2.870  -3.768
   14    HG2  ARG   2           HG2      ARG   2   6.606  -4.448  -5.310
   15    HG3  ARG   2           HG3      ARG   2   5.950  -4.913  -3.736
   16    HD2  ARG   2           HD2      ARG   2   3.756  -3.992  -4.359
   17    HD3  ARG   2           HD3      ARG   2   4.430  -3.394  -5.894
   18    HE   ARG   2           HE       ARG   2   4.866  -6.215  -5.605
   19   HH11  ARG   2          HH11      ARG   2   2.284  -3.901  -6.386
   20   HH12  ARG   2          HH12      ARG   2   1.365  -5.025  -7.314
   21   HH21  ARG   2          HH21      ARG   2   3.644  -7.709  -6.847
   22   HH22  ARG   2          HH22      ARG   2   2.159  -7.237  -7.581
   23    H    LEU   3           H        LEU   3   6.310  -2.248  -0.194
   24    HA   LEU   3           HA       LEU   3   6.893   0.453   0.184
   25    HB2  LEU   3           HB2      LEU   3   7.944  -2.084   1.468
   26    HB3  LEU   3           HB3      LEU   3   8.705  -0.555   1.864
   27    HG   LEU   3           HG       LEU   3   7.002  -1.265   3.514
   28   HD11  LEU   3          HD11      LEU   3   7.683   1.040   3.326
   29   HD12  LEU   3          HD12      LEU   3   6.424   1.371   2.120
   30   HD13  LEU   3          HD13      LEU   3   5.990   0.915   3.784
   31   HD21  LEU   3          HD23      LEU   3   4.934  -0.691   1.361
   32   HD22  LEU   3          HD21      LEU   3   5.354  -2.297   1.994
   33   HD23  LEU   3          HD22      LEU   3   4.636  -1.087   3.059
   34    H    SER   4           H        SER   4   9.093  -2.118  -0.994
   35    HA   SER   4           HA       SER   4  11.453  -0.783  -1.099
   36    HB2  SER   4           HB2      SER   4  10.687  -2.633  -3.346
   37    HB3  SER   4           HB3      SER   4  12.158  -2.615  -2.357
   38    HG   SER   4           HG       SER   4  10.702  -4.380  -1.945
   39    H    ASP   5           H        ASP   5   8.688  -0.080  -3.195
   40    HA   ASP   5           HA       ASP   5  10.162   0.975  -5.408
   41    HB2  ASP   5           HB2      ASP   5   7.776   0.326  -5.519
   42    HB3  ASP   5           HB3      ASP   5   7.371   1.638  -4.405
   43    H    TYR   6           H        TYR   6   9.369   2.226  -2.216
   44    HA   TYR   6           HA       TYR   6   9.731   5.025  -3.065
   45    HB2  TYR   6           HB2      TYR   6   8.821   3.761  -0.462
   46    HB3  TYR   6           HB3      TYR   6   8.989   5.493  -0.719
   47    HD1  TYR   6           HD1      TYR   6   6.883   2.521  -1.533
   48    HD2  TYR   6           HD2      TYR   6   7.435   6.797  -1.949
   49    HE1  TYR   6           HE1      TYR   6   4.627   2.735  -2.464
   50    HE2  TYR   6           HE2      TYR   6   5.184   6.986  -2.967
   51    HH   TYR   6           HH       TYR   6   3.258   5.850  -3.619
   52    H    PHE   7           H        PHE   7  11.761   2.582  -1.561
   53    HA   PHE   7           HA       PHE   7  13.315   4.643  -0.080
   54    HB2  PHE   7           HB2      PHE   7  13.311   1.621   0.023
   55    HB3  PHE   7           HB3      PHE   7  14.509   2.609   0.827
   56    HD1  PHE   7           HD2      PHE   7  10.813   2.094   0.611
   57    HD2  PHE   7           HD1      PHE   7  14.098   3.348   3.122
   58    HE1  PHE   7           HE2      PHE   7   9.257   2.430   2.484
   59    HE2  PHE   7           HE1      PHE   7  12.499   3.769   4.953
   60    HZ   PHE   7           HZ       PHE   7  10.097   3.286   4.668
   61    HA   PRO   8           HA       PRO   8  16.044   4.638  -3.770
   62    HB2  PRO   8           HB2      PRO   8  17.592   6.518  -1.995
   63    HB3  PRO   8           HB3      PRO   8  17.148   6.697  -3.720
   64    HG2  PRO   8           HG2      PRO   8  15.819   8.049  -1.795
   65    HG3  PRO   8           HG3      PRO   8  14.914   7.290  -3.153
   66    HD2  PRO   8           HD2      PRO   8  15.321   6.237  -0.368
   67    HD3  PRO   8           HD3      PRO   8  13.834   6.335  -1.333
   68    H    GLU   9           H        GLU   9  18.728   4.948  -3.675
   69    HA   GLU   9           HA       GLU   9  19.726   2.449  -2.495
   70    HB2  GLU   9           HB2      GLU   9  20.498   3.150  -4.748
   71    HB3  GLU   9           HB3      GLU   9  21.151   4.652  -4.044
   72    HG2  GLU   9           HG2      GLU   9  22.747   3.411  -2.704
   73    HG3  GLU   9           HG3      GLU   9  22.012   1.876  -3.130
   74    H    SER  10           H        SER  10  21.249   2.433  -0.866
   75    HA   SER  10           HA       SER  10  21.971   2.906   1.136
   76    HB2  SER  10           HB2      SER  10  22.862   5.472  -0.217
   77    HB3  SER  10           HB3      SER  10  23.515   4.841   1.307
   78    HG   SER  10           HG       SER  10  24.788   4.223  -0.485
   79    H    SER  11           H        SER  11  19.120   3.790   0.627
   80    HA   SER  11           HA       SER  11  18.728   6.312   1.830
   81    HB2  SER  11           HB2      SER  11  16.318   5.675   1.723
   82    HB3  SER  11           HB3      SER  11  17.232   5.572   0.209
   83    HG   SER  11           HG       SER  11  16.985   3.492   0.150
   84    H    ILE  12           H        ILE  12  19.498   3.353   3.278
   85    HA   ILE  12           HA       ILE  12  17.939   3.751   5.731
   86    HB   ILE  12           HB       ILE  12  19.051   1.340   4.263
   87   HG12  ILE  12          HG12      ILE  12  16.267   1.053   4.942
   88   HG13  ILE  12          HG13      ILE  12  16.443   2.679   4.287
   89   HG21  ILE  12          HG21      ILE  12  18.097  -0.054   5.998
   90   HG22  ILE  12          HG22      ILE  12  19.409   0.960   6.608
   91   HG23  ILE  12          HG23      ILE  12  17.726   1.396   6.982
   92   HD11  ILE  12          HD13      ILE  12  15.939   1.187   2.495
   93   HD12  ILE  12          HD11      ILE  12  17.642   1.691   2.327
   94   HD13  ILE  12          HD12      ILE  12  17.244   0.077   2.968
   95    H    SER  13           H        SER  13  19.120   3.975   7.633
   96    HA   SER  13           HA       SER  13  22.034   3.441   7.661
   97    HB2  SER  13           HB2      SER  13  20.691   6.052   8.514
   98    HB3  SER  13           HB3      SER  13  22.415   5.670   8.653
   99    HG   SER  13           HG       SER  13  21.948   6.947   6.811
  100    H    VAL  14           H        VAL  14  22.901   3.310   9.819
  101    HA   VAL  14           HA       VAL  14  20.970   3.092  12.057
  102    HB   VAL  14           HB       VAL  14  23.257   1.200  11.402
  103   HG11  VAL  14          HG11      VAL  14  23.095   1.465  13.837
  104   HG12  VAL  14          HG12      VAL  14  21.337   1.205  13.780
  105   HG13  VAL  14          HG13      VAL  14  22.461  -0.113  13.387
  106   HG21  VAL  14          HG23      VAL  14  20.256   0.686  11.507
  107   HG22  VAL  14          HG21      VAL  14  21.260   0.649  10.041
  108   HG23  VAL  14          HG22      VAL  14  21.492  -0.561  11.302
  109    H    ILE  15           H        ILE  15  21.815   3.883  13.966
  110    HA   ILE  15           HA       ILE  15  24.460   5.220  14.004
  111    HB   ILE  15           HB       ILE  15  21.645   6.366  14.051
  112   HG12  ILE  15          HG12      ILE  15  24.230   6.984  12.597
  113   HG13  ILE  15          HG13      ILE  15  22.668   6.496  11.936
  114   HG21  ILE  15          HG21      ILE  15  22.386   8.461  15.037
  115   HG22  ILE  15          HG22      ILE  15  22.517   7.124  16.129
  116   HG23  ILE  15          HG23      ILE  15  23.999   7.760  15.339
  117   HD11  ILE  15          HD13      ILE  15  23.029   8.832  11.457
  118   HD12  ILE  15          HD11      ILE  15  21.739   8.736  12.678
  119   HD13  ILE  15          HD12      ILE  15  23.391   9.200  13.153
  120    H    HIS  16           H        HIS  16  25.208   5.516  16.215
  121    HA   HIS  16           HA       HIS  16  23.940   3.759  18.175
  122    HB2  HIS  16           HB2      HIS  16  26.421   4.154  18.046
  123    HB3  HIS  16           HB3      HIS  16  26.152   5.803  18.627
  124    HD1  HIS  16           HD1      HIS  16  25.311   2.177  19.801
  125    HD2  HIS  16           HD2      HIS  16  26.156   6.048  21.256
  126    HE1  HIS  16           HE1      HIS  16  25.454   1.981  22.342
  127    H    SER  17           H        SER  17  24.287   7.332  17.700
  128    HA   SER  17           HA       SER  17  21.758   7.852  18.958
  129    HB2  SER  17           HB2      SER  17  22.887   9.527  20.578
  130    HB3  SER  17           HB3      SER  17  22.838   7.827  21.050
  131    HG   SER  17           HG       SER  17  24.890   8.789  21.404
  132    H    ALA  18           H        ALA  18  21.105  10.000  18.321
  133    HA   ALA  18           HA       ALA  18  22.791  11.280  16.240
  134    HB1  ALA  18           HB3      ALA  18  20.002  11.957  17.263
  135    HB2  ALA  18           HB1      ALA  18  20.857  12.817  15.968
  136    HB3  ALA  18           HB2      ALA  18  20.399  11.128  15.728
  137    H    LYS  19           H        LYS  19  23.216  13.606  16.497
  138    HA   LYS  19           HA       LYS  19  24.469  14.246  18.940
  139    HB2  LYS  19           HB2      LYS  19  24.782  15.181  16.521
  140    HB3  LYS  19           HB3      LYS  19  23.442  16.231  16.894
  141    HG2  LYS  19           HG2      LYS  19  25.400  17.508  17.312
  142    HG3  LYS  19           HG3      LYS  19  24.687  17.136  18.878
  143    HD2  LYS  19           HD2      LYS  19  27.114  16.939  18.957
  144    HD3  LYS  19           HD3      LYS  19  26.381  15.356  19.240
  145    HE2  LYS  19           HE2      LYS  19  26.804  14.728  16.875
  146    HE3  LYS  19           HE3      LYS  19  27.467  16.334  16.556
  147    HZ1  LYS  19           HZ3      LYS  19  29.250  15.839  18.130
  148    HZ2  LYS  19           HZ1      LYS  19  28.636  14.353  18.430
  149    HZ3  LYS  19           HZ2      LYS  19  29.214  14.717  16.951
  150    H    ASP  20           H        ASP  20  21.291  15.182  17.655
  151    HA   ASP  20           HA       ASP  20  20.005  15.235  20.177
  152    HB2  ASP  20           HB2      ASP  20  19.387  17.439  20.424
  153    HB3  ASP  20           HB3      ASP  20  21.125  17.593  20.127
  154    H    TRP  21           H        TRP  21  17.618  16.342  19.576
  155    HA   TRP  21           HA       TRP  21  16.671  14.722  17.493
  156    HB2  TRP  21           HB2      TRP  21  14.497  15.756  17.868
  157    HB3  TRP  21           HB3      TRP  21  15.265  15.223  19.353
  158    HD1  TRP  21           HD1      TRP  21  15.722  17.032  21.191
  159    HE1  TRP  21           HE1      TRP  21  15.239  19.521  21.444
  160    HE3  TRP  21           HE3      TRP  21  14.110  18.009  16.426
  161    HZ2  TRP  21           HZ2      TRP  21  14.398  21.723  19.738
  162    HZ3  TRP  21           HZ3      TRP  21  13.508  20.324  15.762
  163    HH2  TRP  21           HH2      TRP  21  13.709  22.179  17.394
  164    H    GLN  22           H        GLN  22  17.681  18.176  17.352
  165    HA   GLN  22           HA       GLN  22  16.563  18.820  14.749
  166    HB2  GLN  22           HB2      GLN  22  19.094  19.788  16.088
  167    HB3  GLN  22           HB3      GLN  22  18.378  20.448  14.629
  168    HG2  GLN  22           HG2      GLN  22  16.422  21.217  15.772
  169    HG3  GLN  22           HG3      GLN  22  16.796  20.281  17.222
  170   HE21  GLN  22          HE22      GLN  22  18.837  20.789  18.366
  171   HE22  GLN  22          HE21      GLN  22  19.311  22.489  18.492
  172    H    GLU  23           H        GLU  23  19.808  17.498  15.791
  173    HA   GLU  23           HA       GLU  23  20.727  16.958  13.176
  174    HB2  GLU  23           HB2      GLU  23  22.010  16.933  15.413
  175    HB3  GLU  23           HB3      GLU  23  21.353  15.299  15.640
  176    HG2  GLU  23           HG2      GLU  23  23.401  14.819  14.699
  177    HG3  GLU  23           HG3      GLU  23  22.407  14.827  13.270
  178    H    ALA  24           H        ALA  24  18.739  14.988  15.367
  179    HA   ALA  24           HA       ALA  24  18.854  12.590  13.853
  180    HB1  ALA  24           HB3      ALA  24  16.614  13.544  15.669
  181    HB2  ALA  24           HB1      ALA  24  17.008  11.866  15.240
  182    HB3  ALA  24           HB2      ALA  24  18.138  12.834  16.215
  183    H    ILE  25           H        ILE  25  16.842  15.523  13.432
  184    HA   ILE  25           HA       ILE  25  15.114  14.326  11.432
  185    HB   ILE  25           HB       ILE  25  15.899  17.248  11.681
  186   HG12  ILE  25          HG12      ILE  25  14.417  15.710  13.609
  187   HG13  ILE  25          HG13      ILE  25  14.874  17.406  13.619
  188   HG21  ILE  25          HG21      ILE  25  14.841  16.556   9.537
  189   HG22  ILE  25          HG22      ILE  25  13.441  15.967  10.426
  190   HG23  ILE  25          HG23      ILE  25  13.891  17.698  10.434
  191   HD11  ILE  25          HD13      ILE  25  12.510  17.201  13.953
  192   HD12  ILE  25          HD11      ILE  25  12.758  17.904  12.348
  193   HD13  ILE  25          HD12      ILE  25  12.345  16.174  12.515
  194    H    ASP  26           H        ASP  26  18.169  16.269  11.330
  195    HA   ASP  26           HA       ASP  26  18.457  16.302   8.518
  196    HB2  ASP  26           HB2      ASP  26  19.866  17.668   9.967
  197    HB3  ASP  26           HB3      ASP  26  20.620  16.230  10.654
  198    H    PHE  27           H        PHE  27  19.686  13.901  10.907
  199    HA   PHE  27           HA       PHE  27  20.676  12.089   8.971
  200    HB2  PHE  27           HB2      PHE  27  19.829  11.817  11.869
  201    HB3  PHE  27           HB3      PHE  27  20.282  10.408  10.930
  202    HD1  PHE  27           HD1      PHE  27  22.515  10.889   9.380
  203    HD2  PHE  27           HD2      PHE  27  21.709  12.581  13.300
  204    HE1  PHE  27           HE1      PHE  27  24.936  11.154   9.782
  205    HE2  PHE  27           HE2      PHE  27  24.124  12.768  13.683
  206    HZ   PHE  27           HZ       PHE  27  25.751  12.084  11.941
  207    H    SER  28           H        SER  28  17.298  12.554  10.149
  208    HA   SER  28           HA       SER  28  16.290  10.120   9.015
  209    HB2  SER  28           HB2      SER  28  14.832  12.762   9.553
  210    HB3  SER  28           HB3      SER  28  14.077  11.242   9.148
  211    HG   SER  28           HG       SER  28  15.757  11.759  11.399
  212    H    MET  29           H        MET  29  17.057  13.291   7.607
  213    HA   MET  29           HA       MET  29  15.639  12.462   5.119
  214    HB2  MET  29           HB2      MET  29  16.491  15.221   5.929
  215    HB3  MET  29           HB3      MET  29  15.340  14.754   4.680
  216    HG2  MET  29           HG2      MET  29  14.971  15.308   7.516
  217    HG3  MET  29           HG3      MET  29  13.899  15.561   6.171
  218    HE1  MET  29           HE3      MET  29  11.934  12.088   6.162
  219    HE2  MET  29           HE1      MET  29  12.244  13.568   5.222
  220    HE3  MET  29           HE2      MET  29  13.452  12.248   5.262
  221    H    VAL  30           H        VAL  30  18.907  13.062   6.240
  222    HA   VAL  30           HA       VAL  30  19.943  14.413   4.100
  223    HB   VAL  30           HB       VAL  30  21.141  14.026   6.187
  224   HG11  VAL  30          HG11      VAL  30  20.630  11.605   6.529
  225   HG12  VAL  30          HG12      VAL  30  21.731  11.201   5.195
  226   HG13  VAL  30          HG13      VAL  30  22.355  11.965   6.672
  227   HG21  VAL  30          HG23      VAL  30  22.792  13.053   3.829
  228   HG22  VAL  30          HG21      VAL  30  22.392  14.746   4.180
  229   HG23  VAL  30          HG22      VAL  30  23.387  13.819   5.317
  230    H    SER  31           H        SER  31  19.261  10.871   4.122
  231    HA   SER  31           HA       SER  31  20.842  10.333   1.813
  232    HB2  SER  31           HB2      SER  31  19.160   8.337   1.713
  233    HB3  SER  31           HB3      SER  31  20.301   8.461   3.062
  234    HG   SER  31           HG       SER  31  18.276   8.031   3.895
  235    H    LEU  32           H        LEU  32  17.514  11.513   2.294
  236    HA   LEU  32           HA       LEU  32  16.785  11.341  -0.527
  237    HB2  LEU  32           HB2      LEU  32  15.549  12.671   1.928
  238    HB3  LEU  32           HB3      LEU  32  14.846  12.832   0.337
  239    HG   LEU  32           HG       LEU  32  15.348  10.134   1.670
  240   HD11  LEU  32          HD11      LEU  32  12.749  11.707   1.523
  241   HD12  LEU  32          HD12      LEU  32  12.973  10.093   2.226
  242   HD13  LEU  32          HD13      LEU  32  13.740  11.492   2.981
  243   HD21  LEU  32          HD23      LEU  32  15.099  10.082  -0.839
  244   HD22  LEU  32          HD21      LEU  32  13.813   9.244   0.009
  245   HD23  LEU  32          HD22      LEU  32  13.512  10.857  -0.661
  246    H    LEU  33           H        LEU  33  18.087  13.811   1.733
  247    HA   LEU  33           HA       LEU  33  17.966  15.999  -0.017
  248    HB2  LEU  33           HB2      LEU  33  18.494  16.087   2.404
  249    HB3  LEU  33           HB3      LEU  33  20.062  15.358   2.074
  250    HG   LEU  33           HG       LEU  33  20.716  17.344   0.730
  251   HD11  LEU  33          HD11      LEU  33  18.514  18.126  -0.023
  252   HD12  LEU  33          HD12      LEU  33  18.054  18.502   1.653
  253   HD13  LEU  33          HD13      LEU  33  19.365  19.391   0.843
  254   HD21  LEU  33          HD23      LEU  33  21.230  17.081   3.144
  255   HD22  LEU  33          HD21      LEU  33  21.123  18.756   2.623
  256   HD23  LEU  33          HD22      LEU  33  19.780  18.024   3.534
  257    H    ASP  34           H        ASP  34  20.520  13.529   0.456
  258    HA   ASP  34           HA       ASP  34  22.460  14.553  -1.295
  259    HB2  ASP  34           HB2      ASP  34  22.838  12.775   0.413
  260    HB3  ASP  34           HB3      ASP  34  21.834  11.664  -0.540
  261    H    LYS  35           H        LYS  35  19.881  12.138  -1.922
  262    HA   LYS  35           HA       LYS  35  20.516  11.959  -4.772
  263    HB2  LYS  35           HB2      LYS  35  18.640  10.676  -2.783
  264    HB3  LYS  35           HB3      LYS  35  18.184  10.689  -4.488
  265    HG2  LYS  35           HG2      LYS  35  19.231   8.655  -3.899
  266    HG3  LYS  35           HG3      LYS  35  20.058   9.548  -5.186
  267    HD2  LYS  35           HD2      LYS  35  21.821   8.675  -4.028
  268    HD3  LYS  35           HD3      LYS  35  21.703  10.292  -3.334
  269    HE2  LYS  35           HE2      LYS  35  20.386   9.311  -1.431
  270    HE3  LYS  35           HE3      LYS  35  20.602   7.697  -2.138
  271    HZ1  LYS  35           HZ3      LYS  35  22.892   9.431  -1.403
  272    HZ2  LYS  35           HZ1      LYS  35  22.266   8.281  -0.395
  273    HZ3  LYS  35           HZ2      LYS  35  22.936   7.855  -1.824
  274    H    ASN  36           H        ASN  36  19.467  14.517  -3.234
  275    HA   ASN  36           HA       ASN  36  18.036  16.099  -3.401
  276    HB2  ASN  36           HB2      ASN  36  17.842  17.297  -5.549
  277    HB3  ASN  36           HB3      ASN  36  19.462  16.915  -5.010
  278   HD21  ASN  36          HD22      ASN  36  20.568  15.130  -5.990
  279   HD22  ASN  36          HD21      ASN  36  20.247  14.699  -7.663
  280    H    TYR  37           H        TYR  37  16.535  13.959  -2.881
  281    HA   TYR  37           HA       TYR  37  14.028  14.081  -4.452
  282    HB2  TYR  37           HB2      TYR  37  14.902  12.767  -1.853
  283    HB3  TYR  37           HB3      TYR  37  13.208  12.901  -2.262
  284    HD1  TYR  37           HD1      TYR  37  16.441  11.336  -3.338
  285    HD2  TYR  37           HD2      TYR  37  12.141  11.355  -3.694
  286    HE1  TYR  37           HE1      TYR  37  16.536   9.281  -4.736
  287    HE2  TYR  37           HE2      TYR  37  12.257   9.341  -5.133
  288    HH   TYR  37           HH       TYR  37  13.622   7.765  -6.153
  289    H    ILE  38           H        ILE  38  15.676  15.949  -2.052
  290    HA   ILE  38           HA       ILE  38  13.360  17.712  -1.673
  291    HB   ILE  38           HB       ILE  38  13.810  17.810   0.764
  292   HG12  ILE  38          HG12      ILE  38  15.629  15.396   0.315
  293   HG13  ILE  38          HG13      ILE  38  16.178  17.039   0.682
  294   HG21  ILE  38          HG21      ILE  38  12.032  16.285  -0.147
  295   HG22  ILE  38          HG22      ILE  38  13.177  14.936  -0.015
  296   HG23  ILE  38          HG23      ILE  38  12.653  15.823   1.423
  297   HD11  ILE  38          HD13      ILE  38  16.294  15.701   2.621
  298   HD12  ILE  38          HD11      ILE  38  15.027  16.931   2.861
  299   HD13  ILE  38          HD12      ILE  38  14.590  15.233   2.511
  300    H    SER  39           H        SER  39  14.173  19.735  -0.488
  301    HA   SER  39           HA       SER  39  17.020  20.422  -1.084
  302    HB2  SER  39           HB2      SER  39  14.589  22.247  -0.805
  303    HB3  SER  39           HB3      SER  39  16.243  22.750  -1.197
  304    HG   SER  39           HG       SER  39  14.944  22.575  -3.058
  305    H    GLU  40           H        GLU  40  17.958  21.982   0.571
  306    HA   GLU  40           HA       GLU  40  17.912  20.722   3.072
  307    HB2  GLU  40           HB2      GLU  40  18.946  23.489   2.345
  308    HB3  GLU  40           HB3      GLU  40  19.348  22.590   3.817
  309    HG2  GLU  40           HG2      GLU  40  20.332  20.770   2.426
  310    HG3  GLU  40           HG3      GLU  40  19.998  21.699   0.971
  311    H    ASN  41           H        ASN  41  16.067  23.600   2.074
  312    HA   ASN  41           HA       ASN  41  15.210  24.466   4.647
  313    HB2  ASN  41           HB2      ASN  41  14.798  25.739   2.553
  314    HB3  ASN  41           HB3      ASN  41  13.689  24.483   1.990
  315   HD21  ASN  41          HD22      ASN  41  11.517  24.408   2.870
  316   HD22  ASN  41          HD21      ASN  41  10.946  25.659   3.950
  317    H    TYR  42           H        TYR  42  14.187  21.673   2.717
  318    HA   TYR  42           HA       TYR  42  11.647  21.225   3.884
  319    HB2  TYR  42           HB2      TYR  42  12.634  20.160   1.814
  320    HB3  TYR  42           HB3      TYR  42  13.662  19.183   2.860
  321    HD1  TYR  42           HD2      TYR  42  10.148  19.936   1.954
  322    HD2  TYR  42           HD1      TYR  42  12.822  17.216   3.963
  323    HE1  TYR  42           HE2      TYR  42   8.343  18.243   2.041
  324    HE2  TYR  42           HE1      TYR  42  11.018  15.522   4.077
  325    HH   TYR  42           HH       TYR  42   7.721  16.198   2.872
  326    H    ILE  43           H        ILE  43  14.919  20.041   4.782
  327    HA   ILE  43           HA       ILE  43  14.170  18.480   7.031
  328    HB   ILE  43           HB       ILE  43  16.737  20.027   6.394
  329   HG12  ILE  43          HG12      ILE  43  17.334  17.355   6.143
  330   HG13  ILE  43          HG13      ILE  43  15.652  17.357   5.605
  331   HG21  ILE  43          HG21      ILE  43  16.347  17.812   8.450
  332   HG22  ILE  43          HG22      ILE  43  17.873  18.620   8.026
  333   HG23  ILE  43          HG23      ILE  43  16.592  19.533   8.824
  334   HD11  ILE  43          HD13      ILE  43  17.272  17.611   3.762
  335   HD12  ILE  43          HD11      ILE  43  16.225  19.040   3.876
  336   HD13  ILE  43          HD12      ILE  43  17.894  19.090   4.507
  337    H    GLN  44           H        GLN  44  15.043  21.987   6.776
  338    HA   GLN  44           HA       GLN  44  14.742  22.313   9.591
  339    HB2  GLN  44           HB2      GLN  44  16.123  23.750   7.919
  340    HB3  GLN  44           HB3      GLN  44  14.624  24.626   7.645
  341    HG2  GLN  44           HG2      GLN  44  15.980  25.746   9.377
  342    HG3  GLN  44           HG3      GLN  44  14.503  25.134  10.104
  343   HE21  GLN  44          HE22      GLN  44  14.930  24.280  12.177
  344   HE22  GLN  44          HE21      GLN  44  16.302  23.274  12.570
  345    H    ALA  45           H        ALA  45  12.359  22.482   6.988
  346    HA   ALA  45           HA       ALA  45  10.318  23.774   8.484
  347    HB1  ALA  45           HB3      ALA  45  10.202  23.364   6.034
  348    HB2  ALA  45           HB1      ALA  45   9.999  21.620   6.347
  349    HB3  ALA  45           HB2      ALA  45   8.766  22.762   6.890
  350    H    ILE  46           H        ILE  46  11.357  20.319   8.380
  351    HA   ILE  46           HA       ILE  46   9.171  19.365  10.006
  352    HB   ILE  46           HB       ILE  46  11.965  18.211   9.708
  353   HG12  ILE  46          HG12      ILE  46   9.542  17.519   8.041
  354   HG13  ILE  46          HG13      ILE  46  10.861  18.515   7.479
  355   HG21  ILE  46          HG21      ILE  46   9.346  16.793  10.385
  356   HG22  ILE  46          HG22      ILE  46  10.981  16.102  10.430
  357   HG23  ILE  46          HG23      ILE  46  10.517  17.334  11.603
  358   HD11  ILE  46          HD13      ILE  46  12.448  16.638   7.798
  359   HD12  ILE  46          HD11      ILE  46  11.076  15.585   8.215
  360   HD13  ILE  46          HD12      ILE  46  11.174  16.308   6.605
  361    H    LYS  47           H        LYS  47  12.562  20.429  10.667
  362    HA   LYS  47           HA       LYS  47  12.439  19.964  13.457
  363    HB2  LYS  47           HB2      LYS  47  13.991  22.010  11.826
  364    HB3  LYS  47           HB3      LYS  47  14.296  21.731  13.540
  365    HG2  LYS  47           HG2      LYS  47  15.161  19.536  13.144
  366    HG3  LYS  47           HG3      LYS  47  14.609  19.532  11.453
  367    HD2  LYS  47           HD2      LYS  47  16.091  21.351  10.906
  368    HD3  LYS  47           HD3      LYS  47  16.632  21.483  12.601
  369    HE2  LYS  47           HE2      LYS  47  17.787  19.400  12.441
  370    HE3  LYS  47           HE3      LYS  47  17.157  19.084  10.821
  371    HZ1  LYS  47           HZ3      LYS  47  18.398  21.105  10.093
  372    HZ2  LYS  47           HZ1      LYS  47  18.990  21.306  11.592
  373    HZ3  LYS  47           HZ2      LYS  47  19.411  19.992  10.734
  374    H    ASP  48           H        ASP  48  11.621  22.917  11.540
  375    HA   ASP  48           HA       ASP  48  10.994  24.598  13.721
  376    HB2  ASP  48           HB2      ASP  48  11.364  25.450  11.477
  377    HB3  ASP  48           HB3      ASP  48   9.970  24.556  10.862
  378    H    SER  49           H        SER  49   8.938  22.284  11.894
  379    HA   SER  49           HA       SER  49   6.501  22.881  13.276
  380    HB2  SER  49           HB2      SER  49   7.438  20.254  12.055
  381    HB3  SER  49           HB3      SER  49   5.766  20.706  12.435
  382    HG   SER  49           HG       SER  49   7.520  21.846  10.501
  383    H    THR  50           H        THR  50   9.194  20.614  13.962
  384    HA   THR  50           HA       THR  50   8.135  19.517  16.330
  385    HB   THR  50           HB       THR  50  11.056  19.867  15.584
  386    HG1  THR  50           HG1      THR  50   9.947  18.822  13.932
  387   HG21  THR  50          HG23      THR  50   9.668  17.837  17.376
  388   HG22  THR  50          HG21      THR  50  11.378  17.807  16.883
  389   HG23  THR  50          HG22      THR  50  10.781  19.124  17.899
  390    H    ILE  51           H        ILE  51  10.056  22.552  15.861
  391    HA   ILE  51           HA       ILE  51  10.192  23.205  18.649
  392    HB   ILE  51           HB       ILE  51  10.207  24.963  16.154
  393   HG12  ILE  51          HG12      ILE  51  12.473  24.101  18.000
  394   HG13  ILE  51          HG13      ILE  51  12.088  23.334  16.462
  395   HG21  ILE  51          HG21      ILE  51  10.858  25.791  19.015
  396   HG22  ILE  51          HG22      ILE  51  11.102  26.788  17.564
  397   HG23  ILE  51          HG23      ILE  51   9.477  26.360  18.047
  398   HD11  ILE  51          HD13      ILE  51  13.121  26.158  16.837
  399   HD12  ILE  51          HD11      ILE  51  13.928  24.784  16.073
  400   HD13  ILE  51          HD12      ILE  51  12.513  25.513  15.292
  401    H    ASN  52           H        ASN  52   7.749  23.906  16.125
  402    HA   ASN  52           HA       ASN  52   6.275  25.811  17.594
  403    HB2  ASN  52           HB2      ASN  52   5.765  24.099  15.162
  404    HB3  ASN  52           HB3      ASN  52   4.374  24.818  15.927
  405   HD21  ASN  52          HD22      ASN  52   7.543  25.672  14.470
  406   HD22  ASN  52          HD21      ASN  52   7.089  27.309  14.066
  407    H    ASN  53           H        ASN  53   5.846  22.285  17.402
  408    HA   ASN  53           HA       ASN  53   3.692  22.445  19.489
  409    HB2  ASN  53           HB2      ASN  53   2.328  22.324  17.678
  410    HB3  ASN  53           HB3      ASN  53   3.586  21.748  16.602
  411   HD21  ASN  53          HD22      ASN  53   4.193  19.431  16.665
  412   HD22  ASN  53          HD21      ASN  53   2.920  18.286  17.013
  413    H    GLY  54           H        GLY  54   6.577  20.876  18.510
  414    HA2  GLY  54           HA2      GLY  54   7.606  19.120  19.766
  415    HA3  GLY  54           HA3      GLY  54   6.010  18.484  20.204
  416    HA   PRO  55           HA       PRO  55   7.694  16.503  16.222
  417    HB2  PRO  55           HB2      PRO  55   7.426  13.870  16.947
  418    HB3  PRO  55           HB3      PRO  55   8.888  14.838  17.271
  419    HG2  PRO  55           HG2      PRO  55   6.584  14.272  19.166
  420    HG3  PRO  55           HG3      PRO  55   8.336  14.132  19.497
  421    HD2  PRO  55           HD2      PRO  55   6.916  16.334  20.214
  422    HD3  PRO  55           HD3      PRO  55   8.589  16.499  19.596
  423    H    TYR  56           H        TYR  56   6.279  15.936  14.607
  424    HA   TYR  56           HA       TYR  56   3.421  15.614  15.387
  425    HB2  TYR  56           HB2      TYR  56   2.750  17.291  14.006
  426    HB3  TYR  56           HB3      TYR  56   4.180  17.946  14.763
  427    HD1  TYR  56           HD2      TYR  56   6.486  17.288  13.210
  428    HD2  TYR  56           HD1      TYR  56   2.449  18.009  11.843
  429    HE1  TYR  56           HE2      TYR  56   7.351  17.914  10.995
  430    HE2  TYR  56           HE1      TYR  56   3.323  18.714   9.641
  431    HH   TYR  56           HH       TYR  56   6.809  18.582   8.838
  432    H    TYR  57           H        TYR  57   5.681  13.791  14.174
  433    HA   TYR  57           HA       TYR  57   3.745  12.244  12.579
  434    HB2  TYR  57           HB2      TYR  57   6.564  12.912  11.694
  435    HB3  TYR  57           HB3      TYR  57   5.726  11.429  11.237
  436    HD1  TYR  57           HD1      TYR  57   3.560  11.481  10.011
  437    HD2  TYR  57           HD2      TYR  57   6.045  14.974  10.489
  438    HE1  TYR  57           HE1      TYR  57   2.241  12.647   8.262
  439    HE2  TYR  57           HE2      TYR  57   4.779  16.122   8.700
  440    HH   TYR  57           HH       TYR  57   1.898  14.678   7.134
  441    H    ILE  58           H        ILE  58   3.370  11.021  14.382
  442    HA   ILE  58           HA       ILE  58   5.559   9.408  15.545
  443    HB   ILE  58           HB       ILE  58   3.575  11.153  17.076
  444   HG12  ILE  58          HG12      ILE  58   5.591  12.377  16.576
  445   HG13  ILE  58          HG13      ILE  58   5.525  12.007  18.289
  446   HG21  ILE  58          HG21      ILE  58   3.465   9.016  18.155
  447   HG22  ILE  58          HG22      ILE  58   5.222   8.814  18.120
  448   HG23  ILE  58          HG23      ILE  58   4.454  10.058  19.156
  449   HD11  ILE  58          HD13      ILE  58   7.322  10.750  16.191
  450   HD12  ILE  58          HD11      ILE  58   7.796  11.674  17.616
  451   HD13  ILE  58          HD12      ILE  58   7.138  10.041  17.797
  452    H    LEU  59           H        LEU  59   4.883   7.349  15.708
  453    HA   LEU  59           HA       LEU  59   1.998   6.786  15.140
  454    HB2  LEU  59           HB2      LEU  59   4.469   5.373  14.068
  455    HB3  LEU  59           HB3      LEU  59   2.823   4.817  13.879
  456    HG   LEU  59           HG       LEU  59   3.396   5.780  11.826
  457   HD11  LEU  59          HD11      LEU  59   1.797   7.493  11.432
  458   HD12  LEU  59          HD12      LEU  59   1.132   6.346  12.604
  459   HD13  LEU  59          HD13      LEU  59   1.734   7.928  13.146
  460   HD21  LEU  59          HD23      LEU  59   4.274   7.941  11.399
  461   HD22  LEU  59          HD21      LEU  59   4.261   8.402  13.076
  462   HD23  LEU  59          HD22      LEU  59   5.372   7.132  12.522
  463    H    ALA  60           H        ALA  60   4.829   6.020  17.083
  464    HA   ALA  60           HA       ALA  60   3.113   4.742  18.981
  465    HB1  ALA  60           HB3      ALA  60   4.369   2.616  19.155
  466    HB2  ALA  60           HB1      ALA  60   3.699   2.765  17.529
  467    HB3  ALA  60           HB2      ALA  60   5.420   3.099  17.822
  468    HA   PRO  61           HA       PRO  61   6.303   6.471  21.703
  469    HB2  PRO  61           HB2      PRO  61   6.520   3.683  22.868
  470    HB3  PRO  61           HB3      PRO  61   6.494   5.256  23.724
  471    HG2  PRO  61           HG2      PRO  61   4.245   3.765  23.597
  472    HG3  PRO  61           HG3      PRO  61   4.145   5.527  23.271
  473    HD2  PRO  61           HD2      PRO  61   4.249   3.248  21.286
  474    HD3  PRO  61           HD3      PRO  61   3.199   4.698  21.278
  475    H    GLY  62           H        GLY  62   8.408   6.847  21.131
  476    HA2  GLY  62           HA2      GLY  62  10.549   6.477  20.491
  477    HA3  GLY  62           HA3      GLY  62  10.293   4.738  20.601
  478    H    VAL  63           H        VAL  63   7.951   5.927  18.392
  479    HA   VAL  63           HA       VAL  63   9.751   5.382  16.072
  480    HB   VAL  63           HB       VAL  63   7.060   4.137  16.730
  481   HG11  VAL  63          HG11      VAL  63   7.048   4.648  14.351
  482   HG12  VAL  63          HG12      VAL  63   8.647   3.903  14.137
  483   HG13  VAL  63          HG13      VAL  63   7.225   2.913  14.548
  484   HG21  VAL  63          HG23      VAL  63   9.848   2.965  16.313
  485   HG22  VAL  63          HG21      VAL  63   8.920   2.996  17.828
  486   HG23  VAL  63          HG22      VAL  63   8.371   2.004  16.479
  487    H    ALA  64           H        ALA  64   9.751   7.003  14.738
  488    HA   ALA  64           HA       ALA  64   7.422   8.851  14.561
  489    HB1  ALA  64           HB3      ALA  64   9.449   9.807  15.710
  490    HB2  ALA  64           HB1      ALA  64  10.396   9.468  14.244
  491    HB3  ALA  64           HB2      ALA  64   9.060  10.638  14.195
  492    H    MET  65           H        MET  65   7.324   9.994  12.445
  493    HA   MET  65           HA       MET  65   8.575   8.494  10.262
  494    HB2  MET  65           HB2      MET  65   6.364   7.549  10.529
  495    HB3  MET  65           HB3      MET  65   5.669   9.142  10.131
  496    HG2  MET  65           HG2      MET  65   7.470   8.690   8.058
  497    HG3  MET  65           HG3      MET  65   6.929   7.060   8.425
  498    HE1  MET  65           HE3      MET  65   3.727   7.853   9.320
  499    HE2  MET  65           HE1      MET  65   3.041   7.391   7.750
  500    HE3  MET  65           HE2      MET  65   4.337   6.401   8.469
  501    HA   PRO  66           HA       PRO  66   8.717  13.192  10.235
  502    HB2  PRO  66           HB2      PRO  66  11.385  13.518   9.411
  503    HB3  PRO  66           HB3      PRO  66  10.785  13.493  11.097
  504    HG2  PRO  66           HG2      PRO  66  11.904  11.200   9.470
  505    HG3  PRO  66           HG3      PRO  66  12.288  11.672  11.163
  506    HD2  PRO  66           HD2      PRO  66  10.567   9.656  10.641
  507    HD3  PRO  66           HD3      PRO  66  10.194  10.831  11.937
  508    H    HIS  67           H        HIS  67   8.826  14.660   8.620
  509    HA   HIS  67           HA       HIS  67   8.974  14.435   5.838
  510    HB2  HIS  67           HB2      HIS  67   7.377  12.625   5.818
  511    HB3  HIS  67           HB3      HIS  67   6.421  13.349   7.095
  512    HD1  HIS  67           HD1      HIS  67   4.485  14.993   6.405
  513    HD2  HIS  67           HD2      HIS  67   6.924  13.703   3.217
  514    HE1  HIS  67           HE1      HIS  67   3.322  15.681   4.266
  515    H    ALA  68           H        ALA  68   7.854  16.290   4.887
  516    HA   ALA  68           HA       ALA  68   6.320  18.103   6.584
  517    HB1  ALA  68           HB3      ALA  68   7.581  20.088   5.685
  518    HB2  ALA  68           HB1      ALA  68   8.533  19.128   6.813
  519    HB3  ALA  68           HB2      ALA  68   8.823  18.984   5.064
  520    H    ARG  69           H        ARG  69   5.113  19.636   5.240
  521    HA   ARG  69           HA       ARG  69   3.740  18.317   3.181
  522    HB2  ARG  69           HB2      ARG  69   4.078  21.275   3.805
  523    HB3  ARG  69           HB3      ARG  69   2.964  20.675   2.562
  524    HG2  ARG  69           HG2      ARG  69   1.756  19.343   4.271
  525    HG3  ARG  69           HG3      ARG  69   2.846  19.967   5.528
  526    HD2  ARG  69           HD2      ARG  69   2.113  22.278   5.018
  527    HD3  ARG  69           HD3      ARG  69   1.018  21.654   3.765
  528    HE   ARG  69           HE       ARG  69   0.456  20.337   6.219
  529   HH11  ARG  69          HH11      ARG  69   0.105  23.554   4.757
  530   HH12  ARG  69          HH12      ARG  69  -1.264  23.995   5.707
  531   HH21  ARG  69          HH21      ARG  69  -1.373  20.922   7.487
  532   HH22  ARG  69          HH22      ARG  69  -2.120  22.460   7.293
  533    HA   PRO  70           HA       PRO  70   6.435  18.171  -0.256
  534    HB2  PRO  70           HB2      PRO  70   4.076  19.341  -1.820
  535    HB3  PRO  70           HB3      PRO  70   5.179  18.039  -2.322
  536    HG2  PRO  70           HG2      PRO  70   2.753  17.440  -1.277
  537    HG3  PRO  70           HG3      PRO  70   4.185  16.517  -0.720
  538    HD2  PRO  70           HD2      PRO  70   2.738  18.756   0.677
  539    HD3  PRO  70           HD3      PRO  70   3.493  17.278   1.349
  540    H    GLU  71           H        GLU  71   4.422  21.165  -0.154
  541    HA   GLU  71           HA       GLU  71   6.027  22.821  -1.743
  542    HB2  GLU  71           HB2      GLU  71   4.697  24.643  -0.830
  543    HB3  GLU  71           HB3      GLU  71   3.682  23.249  -1.188
  544    HG2  GLU  71           HG2      GLU  71   3.683  22.632   1.233
  545    HG3  GLU  71           HG3      GLU  71   4.688  24.036   1.589
  546    H    CYS  72           H        CYS  72   6.867  21.641   1.374
  547    HA   CYS  72           HA       CYS  72   8.345  24.008   2.255
  548    HB2  CYS  72           HB2      CYS  72   8.309  21.126   3.266
  549    HB3  CYS  72           HB3      CYS  72   9.146  22.480   4.039
  550    HG   CYS  72           HG       CYS  72   7.029  23.987   4.378
  551    H    GLY  73           H        GLY  73   8.910  21.707  -0.164
  552    HA2  GLY  73           HA2      GLY  73  11.017  22.388  -1.359
  553    HA3  GLY  73           HA3      GLY  73  11.886  21.977   0.121
  554    H    ALA  74           H        ALA  74   9.143  19.897  -0.808
  555    HA   ALA  74           HA       ALA  74  10.989  17.675  -1.318
  556    HB1  ALA  74           HB3      ALA  74   8.009  17.832  -1.774
  557    HB2  ALA  74           HB1      ALA  74   9.013  16.374  -1.806
  558    HB3  ALA  74           HB2      ALA  74   8.785  17.226  -0.275
  559    H    LEU  75           H        LEU  75  11.364  16.738  -3.311
  560    HA   LEU  75           HA       LEU  75  10.751  18.386  -5.733
  561    HB2  LEU  75           HB2      LEU  75  13.319  16.888  -5.083
  562    HB3  LEU  75           HB3      LEU  75  12.999  17.811  -6.540
  563    HG   LEU  75           HG       LEU  75  13.207  18.994  -3.734
  564   HD11  LEU  75          HD11      LEU  75  15.181  18.978  -6.062
  565   HD12  LEU  75          HD12      LEU  75  15.382  19.871  -4.539
  566   HD13  LEU  75          HD13      LEU  75  15.349  18.107  -4.523
  567   HD21  LEU  75          HD23      LEU  75  11.777  20.383  -5.196
  568   HD22  LEU  75          HD21      LEU  75  13.329  21.172  -4.915
  569   HD23  LEU  75          HD22      LEU  75  13.020  20.358  -6.466
  570    H    LYS  76           H        LYS  76  11.339  15.155  -4.347
  571    HA   LYS  76           HA       LYS  76   9.913  13.910  -6.598
  572    HB2  LYS  76           HB2      LYS  76  12.514  12.940  -5.384
  573    HB3  LYS  76           HB3      LYS  76  11.601  12.091  -6.632
  574    HG2  LYS  76           HG2      LYS  76  12.174  13.860  -8.254
  575    HG3  LYS  76           HG3      LYS  76  12.960  14.805  -6.968
  576    HD2  LYS  76           HD2      LYS  76  14.579  12.943  -6.587
  577    HD3  LYS  76           HD3      LYS  76  13.838  12.048  -7.912
  578    HE2  LYS  76           HE2      LYS  76  15.918  13.140  -8.596
  579    HE3  LYS  76           HE3      LYS  76  14.548  13.744  -9.531
  580    HZ1  LYS  76           HZ3      LYS  76  16.239  15.406  -8.582
  581    HZ2  LYS  76           HZ1      LYS  76  14.651  15.783  -8.410
  582    HZ3  LYS  76           HZ2      LYS  76  15.532  15.200  -7.147
  583    H    THR  77           H        THR  77   8.987  11.748  -5.879
  584    HA   THR  77           HA       THR  77   8.447  11.744  -3.043
  585    HB   THR  77           HB       THR  77   7.392  10.238  -5.454
  586    HG1  THR  77           HG1      THR  77   6.000  11.768  -5.582
  587   HG21  THR  77          HG23      THR  77   7.085   8.920  -3.391
  588   HG22  THR  77          HG21      THR  77   6.322  10.328  -2.605
  589   HG23  THR  77          HG22      THR  77   5.548   9.528  -4.004
  590    H    GLY  78           H        GLY  78   9.451  10.416  -1.585
  591    HA2  GLY  78           HA2      GLY  78  10.421   7.804  -2.195
  592    HA3  GLY  78           HA3      GLY  78  11.760   8.964  -2.160
  593    H    MET  79           H        MET  79  12.057   7.189  -0.288
  594    HA   MET  79           HA       MET  79  11.181   8.365   2.295
  595    HB2  MET  79           HB2      MET  79  10.937   5.484   1.327
  596    HB3  MET  79           HB3      MET  79  10.821   5.939   3.026
  597    HG2  MET  79           HG2      MET  79   8.851   7.263   2.648
  598    HG3  MET  79           HG3      MET  79   8.979   7.062   0.898
  599    HE1  MET  79           HE3      MET  79   6.771   6.250   0.427
  600    HE2  MET  79           HE1      MET  79   5.966   4.815   1.094
  601    HE3  MET  79           HE2      MET  79   6.133   6.283   2.084
  602    H    SER  80           H        SER  80  12.408   7.307   4.122
  603    HA   SER  80           HA       SER  80  15.044   6.200   3.468
  604    HB2  SER  80           HB2      SER  80  16.053   8.017   5.025
  605    HB3  SER  80           HB3      SER  80  15.708   8.447   3.345
  606    HG   SER  80           HG       SER  80  14.919   9.763   5.384
  607    H    LEU  81           H        LEU  81  16.154   5.574   5.592
  608    HA   LEU  81           HA       LEU  81  14.213   5.122   7.776
  609    HB2  LEU  81           HB2      LEU  81  14.318   3.229   6.032
  610    HB3  LEU  81           HB3      LEU  81  15.972   2.953   6.534
  611    HG   LEU  81           HG       LEU  81  15.351   2.070   8.613
  612   HD11  LEU  81          HD11      LEU  81  12.900   2.185   9.382
  613   HD12  LEU  81          HD12      LEU  81  13.887   3.646   9.570
  614   HD13  LEU  81          HD13      LEU  81  12.771   3.508   8.200
  615   HD21  LEU  81          HD23      LEU  81  13.017   1.359   6.801
  616   HD22  LEU  81          HD21      LEU  81  14.646   0.747   6.507
  617   HD23  LEU  81          HD22      LEU  81  13.790   0.304   8.004
  618    H    THR  82           H        THR  82  15.123   5.673   9.690
  619    HA   THR  82           HA       THR  82  18.074   5.371   9.989
  620    HB   THR  82           HB       THR  82  16.269   7.642  10.960
  621    HG1  THR  82           HG1      THR  82  16.698   7.670   8.710
  622   HG21  THR  82          HG23      THR  82  18.129   7.269  12.476
  623   HG22  THR  82          HG21      THR  82  19.293   7.283  11.129
  624   HG23  THR  82          HG22      THR  82  18.391   8.760  11.562
  625    H    LEU  83           H        LEU  83  18.632   4.316  11.847
  626    HA   LEU  83           HA       LEU  83  16.629   4.075  14.029
  627    HB2  LEU  83           HB2      LEU  83  16.862   1.901  12.749
  628    HB3  LEU  83           HB3      LEU  83  18.593   1.948  13.108
  629    HG   LEU  83           HG       LEU  83  17.862   2.029  15.617
  630   HD11  LEU  83          HD11      LEU  83  15.751   1.069  16.201
  631   HD12  LEU  83          HD12      LEU  83  15.420   2.437  15.144
  632   HD13  LEU  83          HD13      LEU  83  15.312   0.773  14.505
  633   HD21  LEU  83          HD23      LEU  83  18.973   0.104  14.602
  634   HD22  LEU  83          HD21      LEU  83  17.693  -0.436  15.702
  635   HD23  LEU  83          HD22      LEU  83  17.422  -0.460  13.949
  636    H    LEU  84           H        LEU  84  17.487   4.439  16.008
  637    HA   LEU  84           HA       LEU  84  20.382   5.126  16.313
  638    HB2  LEU  84           HB2      LEU  84  17.842   6.357  17.404
  639    HB3  LEU  84           HB3      LEU  84  19.373   6.483  18.276
  640    HG   LEU  84           HG       LEU  84  20.383   7.803  16.582
  641   HD11  LEU  84          HD11      LEU  84  17.829   7.452  14.969
  642   HD12  LEU  84          HD12      LEU  84  19.093   8.659  14.621
  643   HD13  LEU  84          HD13      LEU  84  19.474   6.944  14.514
  644   HD21  LEU  84          HD23      LEU  84  19.030   8.902  18.271
  645   HD22  LEU  84          HD21      LEU  84  18.855   9.777  16.739
  646   HD23  LEU  84          HD22      LEU  84  17.559   8.709  17.288
  647    H    GLU  85           H        GLU  85  21.291   3.572  17.688
  648    HA   GLU  85           HA       GLU  85  19.780   1.570  18.969
  649    HB2  GLU  85           HB2      GLU  85  22.577   2.575  19.638
  650    HB3  GLU  85           HB3      GLU  85  21.857   1.091  20.267
  651    HG2  GLU  85           HG2      GLU  85  21.584   0.260  17.915
  652    HG3  GLU  85           HG3      GLU  85  22.473   1.673  17.343
  653    H    GLN  86           H        GLN  86  21.018   4.623  20.255
  654    HA   GLN  86           HA       GLN  86  19.926   4.138  22.952
  655    HB2  GLN  86           HB2      GLN  86  21.281   6.540  21.677
  656    HB3  GLN  86           HB3      GLN  86  20.882   6.436  23.375
  657    HG2  GLN  86           HG2      GLN  86  22.729   4.431  22.007
  658    HG3  GLN  86           HG3      GLN  86  23.297   5.926  22.740
  659   HE21  GLN  86          HE22      GLN  86  24.582   4.057  23.825
  660   HE22  GLN  86          HE21      GLN  86  23.938   3.498  25.362
  661    H    GLY  87           H        GLY  87  18.819   5.490  19.976
  662    HA2  GLY  87           HA2      GLY  87  17.123   6.880  19.363
  663    HA3  GLY  87           HA3      GLY  87  16.416   6.701  20.976
  664    H    VAL  88           H        VAL  88  16.096   9.174  20.037
  665    HA   VAL  88           HA       VAL  88  17.729  10.630  21.941
  666    HB   VAL  88           HB       VAL  88  18.674  10.853  19.435
  667   HG11  VAL  88          HG11      VAL  88  16.601  13.063  19.501
  668   HG12  VAL  88          HG12      VAL  88  17.914  12.856  18.340
  669   HG13  VAL  88          HG13      VAL  88  16.613  11.642  18.424
  670   HG21  VAL  88          HG23      VAL  88  19.711  12.907  20.062
  671   HG22  VAL  88          HG21      VAL  88  18.512  13.178  21.352
  672   HG23  VAL  88          HG22      VAL  88  19.646  11.800  21.436
  673    H    TYR  89           H        TYR  89  16.531  12.777  22.445
  674    HA   TYR  89           HA       TYR  89  13.714  11.867  22.473
  675    HB2  TYR  89           HB2      TYR  89  15.029  11.886  24.611
  676    HB3  TYR  89           HB3      TYR  89  14.890  13.637  24.583
  677    HD1  TYR  89           HD1      TYR  89  11.814  12.371  23.132
  678    HD2  TYR  89           HD2      TYR  89  13.913  12.738  26.914
  679    HE1  TYR  89           HE1      TYR  89   9.731  12.141  24.304
  680    HE2  TYR  89           HE2      TYR  89  11.754  12.507  28.105
  681    HH   TYR  89           HH       TYR  89   8.642  12.088  26.320
  682    H    PHE  90           H        PHE  90  12.737  12.771  20.875
  683    HA   PHE  90           HA       PHE  90  12.836  15.550  20.107
  684    HB2  PHE  90           HB2      PHE  90  10.963  13.201  19.650
  685    HB3  PHE  90           HB3      PHE  90  10.577  14.818  19.074
  686    HD1  PHE  90           HD2      PHE  90  13.524  12.402  18.890
  687    HD2  PHE  90           HD1      PHE  90  11.108  15.381  16.893
  688    HE1  PHE  90           HE2      PHE  90  14.841  12.102  16.830
  689    HE2  PHE  90           HE1      PHE  90  12.406  15.028  14.827
  690    HZ   PHE  90           HZ       PHE  90  14.296  13.421  14.788
  691    HA   PRO  91           HA       PRO  91  10.566  16.946  23.582
  692    HB2  PRO  91           HB2      PRO  91   9.804  19.467  22.860
  693    HB3  PRO  91           HB3      PRO  91  11.507  18.968  23.019
  694    HG2  PRO  91           HG2      PRO  91   9.855  19.054  20.469
  695    HG3  PRO  91           HG3      PRO  91  11.462  19.797  20.769
  696    HD2  PRO  91           HD2      PRO  91  11.228  17.358  19.586
  697    HD3  PRO  91           HD3      PRO  91  12.538  17.702  20.753
  698    H    GLY  92           H        GLY  92   8.933  15.088  23.080
  699    HA2  GLY  92           HA2      GLY  92   6.526  15.897  24.029
  700    HA3  GLY  92           HA3      GLY  92   6.241  15.992  22.293
  701    H    ASN  93           H        ASN  93   8.280  13.400  22.356
  702    HA   ASN  93           HA       ASN  93   6.071  11.509  22.181
  703    HB2  ASN  93           HB2      ASN  93   8.279  11.428  20.869
  704    HB3  ASN  93           HB3      ASN  93   9.022  10.811  22.340
  705   HD21  ASN  93          HD22      ASN  93   6.616  10.143  19.792
  706   HD22  ASN  93          HD21      ASN  93   6.487   8.430  20.102
  707    H    ASP  94           H        ASP  94   6.265   9.337  23.485
  708    HA   ASP  94           HA       ASP  94   6.256   9.905  26.334
  709    HB2  ASP  94           HB2      ASP  94   4.742   8.234  25.342
  710    HB3  ASP  94           HB3      ASP  94   6.130   7.296  24.786
  711    H    GLU  95           H        GLU  95   8.540   8.518  23.989
  712    HA   GLU  95           HA       GLU  95  10.680   8.597  25.992
  713    HB2  GLU  95           HB2      GLU  95  11.103   6.305  25.915
  714    HB3  GLU  95           HB3      GLU  95   9.343   6.383  25.890
  715    HG2  GLU  95           HG2      GLU  95   9.329   6.025  23.453
  716    HG3  GLU  95           HG3      GLU  95  11.096   5.941  23.456
  717    HA   PRO  96           HA       PRO  96  13.462   9.755  22.766
  718    HB2  PRO  96           HB2      PRO  96  15.027   7.201  23.170
  719    HB3  PRO  96           HB3      PRO  96  15.630   8.881  23.049
  720    HG2  PRO  96           HG2      PRO  96  15.409   7.694  25.469
  721    HG3  PRO  96           HG3      PRO  96  14.874   9.393  25.257
  722    HD2  PRO  96           HD2      PRO  96  13.185   6.881  25.278
  723    HD3  PRO  96           HD3      PRO  96  12.897   8.440  26.115
  724    H    ILE  97           H        ILE  97  13.356   9.629  20.562
  725    HA   ILE  97           HA       ILE  97  11.895   7.460  19.286
  726    HB   ILE  97           HB       ILE  97  13.388   9.800  18.045
  727   HG12  ILE  97          HG12      ILE  97  11.688  10.777  19.396
  728   HG13  ILE  97          HG13      ILE  97  11.104  10.793  17.742
  729   HG21  ILE  97          HG21      ILE  97  11.969   9.308  16.075
  730   HG22  ILE  97          HG22      ILE  97  13.032   7.949  16.451
  731   HG23  ILE  97          HG23      ILE  97  11.320   7.871  16.885
  732   HD11  ILE  97          HD13      ILE  97   9.284  10.210  19.170
  733   HD12  ILE  97          HD11      ILE  97   9.709   8.726  18.310
  734   HD13  ILE  97          HD12      ILE  97  10.208   8.958  20.010
  735    H    LYS  98           H        LYS  98  12.862   5.561  18.993
  736    HA   LYS  98           HA       LYS  98  15.786   5.411  18.480
  737    HB2  LYS  98           HB2      LYS  98  13.625   3.324  18.885
  738    HB3  LYS  98           HB3      LYS  98  15.223   2.949  18.210
  739    HG2  LYS  98           HG2      LYS  98  16.311   3.862  20.247
  740    HG3  LYS  98           HG3      LYS  98  14.723   4.195  20.944
  741    HD2  LYS  98           HD2      LYS  98  15.716   2.120  21.833
  742    HD3  LYS  98           HD3      LYS  98  14.190   1.812  20.993
  743    HE2  LYS  98           HE2      LYS  98  15.427   1.038  18.994
  744    HE3  LYS  98           HE3      LYS  98  16.967   1.405  19.776
  745    HZ1  LYS  98           HZ3      LYS  98  15.041  -0.550  20.891
  746    HZ2  LYS  98           HZ1      LYS  98  16.197  -0.977  19.829
  747    HZ3  LYS  98           HZ2      LYS  98  16.614  -0.360  21.297
  748    H    LEU  99           H        LEU  99  12.662   5.354  16.673
  749    HA   LEU  99           HA       LEU  99  14.342   4.898  14.249
  750    HB2  LEU  99           HB2      LEU  99  12.972   2.838  15.015
  751    HB3  LEU  99           HB3      LEU  99  11.546   3.834  14.708
  752    HG   LEU  99           HG       LEU  99  12.544   4.097  12.260
  753   HD11  LEU  99          HD11      LEU  99  13.894   2.222  11.507
  754   HD12  LEU  99          HD12      LEU  99  14.737   3.028  12.828
  755   HD13  LEU  99          HD13      LEU  99  13.876   1.517  13.121
  756   HD21  LEU  99          HD23      LEU  99  11.333   1.540  13.286
  757   HD22  LEU  99          HD21      LEU  99  10.467   2.999  12.754
  758   HD23  LEU  99          HD22      LEU  99  11.403   2.076  11.575
  759    H    LEU 100           H        LEU 100  13.921   5.944  12.486
  760    HA   LEU 100           HA       LEU 100  11.607   7.814  12.390
  761    HB2  LEU 100           HB2      LEU 100  14.414   8.593  11.543
  762    HB3  LEU 100           HB3      LEU 100  12.989   9.588  11.645
  763    HG   LEU 100           HG       LEU 100  13.229   8.648  14.242
  764   HD11  LEU 100          HD11      LEU 100  16.065   9.175  13.309
  765   HD12  LEU 100          HD12      LEU 100  15.538   8.852  14.977
  766   HD13  LEU 100          HD13      LEU 100  15.419   7.581  13.751
  767   HD21  LEU 100          HD23      LEU 100  12.796  10.993  13.582
  768   HD22  LEU 100          HD21      LEU 100  13.862  10.765  14.975
  769   HD23  LEU 100          HD22      LEU 100  14.555  11.210  13.410
  770    H    ILE 101           H        ILE 101  10.477   6.848  10.749
  771    HA   ILE 101           HA       ILE 101  11.926   5.947   8.301
  772    HB   ILE 101           HB       ILE 101   8.990   5.762   9.145
  773   HG12  ILE 101          HG12      ILE 101  11.162   4.041   9.542
  774   HG13  ILE 101          HG13      ILE 101   9.475   3.755   9.819
  775   HG21  ILE 101          HG21      ILE 101  10.123   5.281   6.383
  776   HG22  ILE 101          HG22      ILE 101   8.475   4.910   6.971
  777   HG23  ILE 101          HG23      ILE 101   8.997   6.561   6.863
  778   HD11  ILE 101          HD13      ILE 101  10.480   2.007   8.412
  779   HD12  ILE 101          HD11      ILE 101   9.153   2.865   7.600
  780   HD13  ILE 101          HD12      ILE 101  10.847   3.223   7.164
  781    H    GLY 102           H        GLY 102  12.402   7.531   6.812
  782    HA2  GLY 102           HA2      GLY 102  11.093  10.173   7.080
  783    HA3  GLY 102           HA3      GLY 102  12.467   9.791   6.057
  784    H    LEU 103           H        LEU 103   9.840  11.036   5.370
  785    HA   LEU 103           HA       LEU 103   9.436   9.517   2.878
  786    HB2  LEU 103           HB2      LEU 103   7.537   8.990   4.614
  787    HB3  LEU 103           HB3      LEU 103   7.095  10.668   4.429
  788    HG   LEU 103           HG       LEU 103   6.797   8.368   2.431
  789   HD11  LEU 103          HD11      LEU 103   4.909  10.567   3.467
  790   HD12  LEU 103          HD12      LEU 103   4.463   9.082   2.619
  791   HD13  LEU 103          HD13      LEU 103   5.088   9.012   4.268
  792   HD21  LEU 103          HD23      LEU 103   7.529  10.061   0.939
  793   HD22  LEU 103          HD21      LEU 103   5.784  10.131   0.876
  794   HD23  LEU 103          HD22      LEU 103   6.622  11.353   1.808
  795    H    SER 104           H        SER 104   9.246  11.028   1.181
  796    HA   SER 104           HA       SER 104   8.548  13.834   1.690
  797    HB2  SER 104           HB2      SER 104  11.052  13.075   0.139
  798    HB3  SER 104           HB3      SER 104  10.418  14.705   0.479
  799    HG   SER 104           HG       SER 104  10.570  13.577   2.793
  800    H    ALA 105           H        ALA 105   7.443  14.670  -0.175
  801    HA   ALA 105           HA       ALA 105   6.904  12.717  -2.344
  802    HB1  ALA 105           HB3      ALA 105   4.483  13.015  -1.937
  803    HB2  ALA 105           HB1      ALA 105   5.289  12.192  -0.585
  804    HB3  ALA 105           HB2      ALA 105   4.855  13.917  -0.453
  805    H    ALA 106           H        ALA 106   6.373  13.699  -4.259
  806    HA   ALA 106           HA       ALA 106   6.982  16.522  -4.416
  807    HB1  ALA 106           HB3      ALA 106   7.801  14.906  -6.101
  808    HB2  ALA 106           HB1      ALA 106   6.126  14.526  -6.565
  809    HB3  ALA 106           HB2      ALA 106   6.788  16.149  -6.857
  810    H    ASP 107           H        ASP 107   4.045  14.597  -4.273
  811    HA   ASP 107           HA       ASP 107   2.382  17.042  -4.530
  812    HB2  ASP 107           HB2      ASP 107   2.437  16.082  -6.796
  813    HB3  ASP 107           HB3      ASP 107   1.988  14.500  -6.162
  814    H    ALA 108           H        ALA 108   0.223  16.729  -3.597
  815    HA   ALA 108           HA       ALA 108   0.317  15.406  -1.130
  816    HB1  ALA 108           HB3      ALA 108  -1.094  17.374  -1.587
  817    HB2  ALA 108           HB1      ALA 108  -2.107  16.401  -2.685
  818    HB3  ALA 108           HB2      ALA 108  -2.061  16.030  -0.950
  819    H    ASP 109           H        ASP 109  -0.975  14.210  -4.254
  820    HA   ASP 109           HA       ASP 109  -2.273  11.913  -2.953
  821    HB2  ASP 109           HB2      ASP 109  -3.209  12.718  -4.985
  822    HB3  ASP 109           HB3      ASP 109  -1.660  12.529  -5.843
  823    H    SER 110           H        SER 110   0.865  12.618  -4.458
  824    HA   SER 110           HA       SER 110   1.897   9.941  -4.345
  825    HB2  SER 110           HB2      SER 110   3.523  12.498  -4.024
  826    HB3  SER 110           HB3      SER 110   4.036  10.936  -4.653
  827    HG   SER 110           HG       SER 110   2.680  11.251  -6.444
  828    H    HIS 111           H        HIS 111   1.828  12.668  -1.998
  829    HA   HIS 111           HA       HIS 111   3.136  11.380   0.161
  830    HB2  HIS 111           HB2      HIS 111   2.767  13.712   0.350
  831    HB3  HIS 111           HB3      HIS 111   1.075  13.576  -0.041
  832    HD1  HIS 111           HD1      HIS 111   3.393  13.258   2.970
  833    HD2  HIS 111           HD2      HIS 111  -0.670  13.093   1.879
  834    HE1  HIS 111           HE1      HIS 111   2.067  13.226   5.138
  835    H    ILE 112           H        ILE 112  -0.387  11.432  -0.665
  836    HA   ILE 112           HA       ILE 112  -1.251   9.786   1.461
  837    HB   ILE 112           HB       ILE 112  -2.259  10.233  -1.374
  838   HG12  ILE 112          HG12      ILE 112  -2.338  12.115   0.349
  839   HG13  ILE 112          HG13      ILE 112  -3.817  11.732  -0.516
  840   HG21  ILE 112          HG21      ILE 112  -4.439   9.246  -0.698
  841   HG22  ILE 112          HG22      ILE 112  -3.138   8.076  -0.896
  842   HG23  ILE 112          HG23      ILE 112  -3.634   8.560   0.740
  843   HD11  ILE 112          HD13      ILE 112  -4.141  12.222   1.881
  844   HD12  ILE 112          HD11      ILE 112  -4.721  10.609   1.436
  845   HD13  ILE 112          HD12      ILE 112  -3.170  10.788   2.303
  846    H    GLY 113           H        GLY 113  -0.305   8.723  -1.895
  847    HA2  GLY 113           HA2      GLY 113  -0.699   5.975  -1.416
  848    HA3  GLY 113           HA3      GLY 113   0.393   6.664  -2.633
  849    H    ALA 114           H        ALA 114   2.159   8.018  -0.836
  850    HA   ALA 114           HA       ALA 114   3.996   5.907  -0.159
  851    HB1  ALA 114           HB3      ALA 114   5.318   7.879   0.665
  852    HB2  ALA 114           HB1      ALA 114   4.706   8.118  -0.973
  853    HB3  ALA 114           HB2      ALA 114   3.910   8.911   0.392
  854    H    ILE 115           H        ILE 115   2.021   8.198   1.879
  855    HA   ILE 115           HA       ILE 115   2.811   7.286   4.385
  856    HB   ILE 115           HB       ILE 115   0.450   8.537   3.166
  857   HG12  ILE 115          HG12      ILE 115   2.463   9.934   3.631
  858   HG13  ILE 115          HG13      ILE 115   0.982  10.512   4.376
  859   HG21  ILE 115          HG21      ILE 115  -0.746   7.343   4.691
  860   HG22  ILE 115          HG22      ILE 115   0.421   7.648   6.007
  861   HG23  ILE 115          HG23      ILE 115  -0.614   8.968   5.357
  862   HD11  ILE 115          HD13      ILE 115   1.681   9.691   6.564
  863   HD12  ILE 115          HD11      ILE 115   3.107   8.923   5.828
  864   HD13  ILE 115          HD12      ILE 115   2.966  10.691   5.859
  865    H    GLN 116           H        GLN 116   0.224   6.154   2.142
  866    HA   GLN 116           HA       GLN 116  -0.820   4.162   3.919
  867    HB2  GLN 116           HB2      GLN 116  -1.069   4.662   0.926
  868    HB3  GLN 116           HB3      GLN 116  -1.930   3.354   1.739
  869    HG2  GLN 116           HG2      GLN 116  -2.126   6.279   2.534
  870    HG3  GLN 116           HG3      GLN 116  -3.254   5.484   1.442
  871   HE21  GLN 116          HE22      GLN 116  -3.265   6.632   4.441
  872   HE22  GLN 116          HE21      GLN 116  -4.167   5.406   5.289
  873    H    ALA 117           H        ALA 117   2.172   4.146   2.187
  874    HA   ALA 117           HA       ALA 117   2.217   1.226   2.058
  875    HB1  ALA 117           HB3      ALA 117   4.395   1.514   0.992
  876    HB2  ALA 117           HB1      ALA 117   3.254   2.599   0.184
  877    HB3  ALA 117           HB2      ALA 117   4.401   3.246   1.365
  878    H    LEU 118           H        LEU 118   3.554   4.064   3.741
  879    HA   LEU 118           HA       LEU 118   5.191   2.483   5.473
  880    HB2  LEU 118           HB2      LEU 118   4.137   5.354   5.688
  881    HB3  LEU 118           HB3      LEU 118   5.366   4.659   6.763
  882    HG   LEU 118           HG       LEU 118   5.548   4.879   3.742
  883   HD11  LEU 118          HD11      LEU 118   5.653   7.039   4.837
  884   HD12  LEU 118          HD12      LEU 118   6.873   6.475   5.983
  885   HD13  LEU 118          HD13      LEU 118   7.279   6.624   4.263
  886   HD21  LEU 118          HD23      LEU 118   7.248   3.498   5.819
  887   HD22  LEU 118          HD21      LEU 118   7.029   3.156   4.096
  888   HD23  LEU 118          HD22      LEU 118   8.124   4.439   4.604
  889    H    SER 119           H        SER 119   1.837   3.578   5.711
  890    HA   SER 119           HA       SER 119   1.376   2.851   8.385
  891    HB2  SER 119           HB2      SER 119  -0.475   2.469   5.990
  892    HB3  SER 119           HB3      SER 119  -0.970   2.559   7.689
  893    HG   SER 119           HG       SER 119   0.331   4.632   6.200
  894    H    GLU 120           H        GLU 120   2.191   0.670   5.721
  895    HA   GLU 120           HA       GLU 120   1.104  -1.689   6.976
  896    HB2  GLU 120           HB2      GLU 120   3.252  -1.453   4.853
  897    HB3  GLU 120           HB3      GLU 120   2.439  -2.930   5.325
  898    HG2  GLU 120           HG2      GLU 120   0.964  -0.517   4.217
  899    HG3  GLU 120           HG3      GLU 120   1.565  -1.829   3.212
  900    H    LEU 121           H        LEU 121   3.959   0.263   7.322
  901    HA   LEU 121           HA       LEU 121   5.444  -1.896   8.754
  902    HB2  LEU 121           HB2      LEU 121   6.391   0.826   7.758
  903    HB3  LEU 121           HB3      LEU 121   7.381  -0.356   8.610
  904    HG   LEU 121           HG       LEU 121   6.184  -0.586   5.822
  905   HD11  LEU 121          HD11      LEU 121   9.059  -0.537   6.857
  906   HD12  LEU 121          HD12      LEU 121   8.585  -0.715   5.160
  907   HD13  LEU 121          HD13      LEU 121   8.218   0.787   6.022
  908   HD21  LEU 121          HD23      LEU 121   7.736  -2.737   7.324
  909   HD22  LEU 121          HD21      LEU 121   6.038  -2.829   6.779
  910   HD23  LEU 121          HD22      LEU 121   7.348  -2.758   5.601
  911    H    LEU 122           H        LEU 122   4.911   1.646   9.181
  912    HA   LEU 122           HA       LEU 122   5.698   1.708  11.900
  913    HB2  LEU 122           HB2      LEU 122   3.889   3.521  10.209
  914    HB3  LEU 122           HB3      LEU 122   4.422   3.922  11.821
  915    HG   LEU 122           HG       LEU 122   5.569   5.095   9.959
  916   HD11  LEU 122          HD11      LEU 122   6.459   5.037  12.241
  917   HD12  LEU 122          HD12      LEU 122   7.358   3.544  11.870
  918   HD13  LEU 122          HD13      LEU 122   7.762   5.074  11.061
  919   HD21  LEU 122          HD23      LEU 122   7.194   2.561   9.574
  920   HD22  LEU 122          HD21      LEU 122   5.968   3.166   8.434
  921   HD23  LEU 122          HD22      LEU 122   7.375   4.134   8.773
  922    H    CYS 123           H        CYS 123   2.687   0.523  10.673
  923    HA   CYS 123           HA       CYS 123   1.529   0.802  13.402
  924    HB2  CYS 123           HB2      CYS 123  -0.038   0.602  10.802
  925    HB3  CYS 123           HB3      CYS 123  -0.682   0.869  12.421
  926    HG   CYS 123           HG       CYS 123  -0.868   3.082  11.043
  927    H    GLU 124           H        GLU 124   3.371  -1.232  12.460
  928    HA   GLU 124           HA       GLU 124   1.674  -3.552  13.145
  929    HB2  GLU 124           HB2      GLU 124   3.674  -3.441  10.874
  930    HB3  GLU 124           HB3      GLU 124   3.217  -4.955  11.655
  931    HG2  GLU 124           HG2      GLU 124   1.315  -3.024  10.291
  932    HG3  GLU 124           HG3      GLU 124   1.928  -4.532   9.603
  933    H    GLU 125           H        GLU 125   2.200  -3.977  15.056
  934    HA   GLU 125           HA       GLU 125   4.496  -3.194  16.445
  935    HB2  GLU 125           HB2      GLU 125   2.964  -5.717  17.153
  936    HB3  GLU 125           HB3      GLU 125   3.761  -4.565  18.230
  937    HG2  GLU 125           HG2      GLU 125   2.030  -2.849  17.478
  938    HG3  GLU 125           HG3      GLU 125   1.230  -4.168  16.604
  939    H    GLU 126           H        GLU 126   3.811  -6.079  14.605
  940    HA   GLU 126           HA       GLU 126   6.022  -7.691  15.370
  941    HB2  GLU 126           HB2      GLU 126   4.604  -7.640  12.667
  942    HB3  GLU 126           HB3      GLU 126   5.640  -8.937  13.285
  943    HG2  GLU 126           HG2      GLU 126   4.030  -9.161  15.235
  944    HG3  GLU 126           HG3      GLU 126   2.964  -8.025  14.395
  945    H    ILE 127           H        ILE 127   5.631  -5.299  12.776
  946    HA   ILE 127           HA       ILE 127   8.296  -5.573  11.702
  947    HB   ILE 127           HB       ILE 127   5.965  -3.771  11.291
  948   HG12  ILE 127          HG12      ILE 127   6.154  -4.467   8.985
  949   HG13  ILE 127          HG13      ILE 127   7.668  -5.321   9.315
  950   HG21  ILE 127          HG21      ILE 127   7.627  -2.120  11.226
  951   HG22  ILE 127          HG22      ILE 127   8.787  -3.194  10.395
  952   HG23  ILE 127          HG23      ILE 127   7.372  -2.555   9.544
  953   HD11  ILE 127          HD13      ILE 127   6.479  -7.017  10.586
  954   HD12  ILE 127          HD11      ILE 127   4.955  -6.099  10.441
  955   HD13  ILE 127          HD12      ILE 127   5.717  -6.813   9.005
  956    H    LEU 128           H        LEU 128   6.682  -3.194  13.948
  957    HA   LEU 128           HA       LEU 128   8.799  -1.523  14.375
  958    HB2  LEU 128           HB2      LEU 128   6.521  -2.440  16.123
  959    HB3  LEU 128           HB3      LEU 128   7.849  -1.565  16.870
  960    HG   LEU 128           HG       LEU 128   7.615   0.195  15.109
  961   HD11  LEU 128          HD11      LEU 128   5.551   0.528  13.958
  962   HD12  LEU 128          HD12      LEU 128   6.245  -1.006  13.445
  963   HD13  LEU 128          HD13      LEU 128   4.882  -0.985  14.591
  964   HD21  LEU 128          HD23      LEU 128   5.727   1.313  16.266
  965   HD22  LEU 128          HD21      LEU 128   5.220  -0.245  16.958
  966   HD23  LEU 128          HD22      LEU 128   6.769   0.480  17.434
  967    H    GLU 129           H        GLU 129   8.393  -4.691  15.969
  968    HA   GLU 129           HA       GLU 129  10.684  -4.273  17.626
  969    HB2  GLU 129           HB2      GLU 129   8.940  -6.647  16.977
  970    HB3  GLU 129           HB3      GLU 129  10.534  -6.931  17.700
  971    HG2  GLU 129           HG2      GLU 129  10.044  -5.415  19.547
  972    HG3  GLU 129           HG3      GLU 129   8.439  -5.071  18.883
  973    H    GLN 130           H        GLN 130  10.250  -5.601  14.316
  974    HA   GLN 130           HA       GLN 130  12.834  -6.856  14.213
  975    HB2  GLN 130           HB2      GLN 130  10.846  -5.901  12.123
  976    HB3  GLN 130           HB3      GLN 130  12.364  -6.724  11.718
  977    HG2  GLN 130           HG2      GLN 130  11.690  -8.755  12.719
  978    HG3  GLN 130           HG3      GLN 130  10.324  -8.006  13.537
  979   HE21  GLN 130          HE22      GLN 130   8.375  -8.224  12.558
  980   HE22  GLN 130          HE21      GLN 130   8.119  -8.654  10.869
  981    H    LEU 131           H        LEU 131  11.483  -3.626  13.415
  982    HA   LEU 131           HA       LEU 131  13.930  -2.552  12.307
  983    HB2  LEU 131           HB2      LEU 131  11.566  -1.163  13.639
  984    HB3  LEU 131           HB3      LEU 131  12.863  -0.350  12.785
  985    HG   LEU 131           HG       LEU 131  11.286  -2.497  11.323
  986   HD11  LEU 131          HD11      LEU 131   9.575  -1.292  12.434
  987   HD12  LEU 131          HD12      LEU 131  10.186   0.256  11.877
  988   HD13  LEU 131          HD13      LEU 131   9.557  -0.889  10.696
  989   HD21  LEU 131          HD23      LEU 131  12.493   0.154  10.465
  990   HD22  LEU 131          HD21      LEU 131  13.134  -1.470  10.135
  991   HD23  LEU 131          HD22      LEU 131  11.613  -0.966   9.398
  992    H    LEU 132           H        LEU 132  12.270  -2.174  15.442
  993    HA   LEU 132           HA       LEU 132  14.230  -0.581  16.681
  994    HB2  LEU 132           HB2      LEU 132  12.155  -2.445  17.861
  995    HB3  LEU 132           HB3      LEU 132  13.145  -1.406  18.866
  996    HG   LEU 132           HG       LEU 132  11.426  -0.265  16.629
  997   HD11  LEU 132          HD11      LEU 132  10.013  -1.510  18.255
  998   HD12  LEU 132          HD12      LEU 132  10.721  -0.567  19.583
  999   HD13  LEU 132          HD13      LEU 132   9.740   0.241  18.336
 1000   HD21  LEU 132          HD23      LEU 132  12.677   1.008  19.089
 1001   HD22  LEU 132          HD21      LEU 132  13.190   1.241  17.397
 1002   HD23  LEU 132          HD22      LEU 132  11.609   1.820  17.930
 1003    H    THR 133           H        THR 133  14.591  -3.929  15.978
 1004    HA   THR 133           HA       THR 133  16.853  -4.095  17.886
 1005    HB   THR 133           HB       THR 133  16.445  -6.493  18.021
 1006    HG1  THR 133           HG1      THR 133  14.019  -6.041  16.637
 1007   HG21  THR 133          HG23      THR 133  14.435  -6.519  19.379
 1008   HG22  THR 133          HG21      THR 133  15.315  -5.012  19.682
 1009   HG23  THR 133          HG22      THR 133  13.851  -5.006  18.674
 1010    H    ALA 134           H        ALA 134  16.343  -3.440  14.741
 1011    HA   ALA 134           HA       ALA 134  17.820  -5.338  13.263
 1012    HB1  ALA 134           HB3      ALA 134  18.066  -3.446  11.638
 1013    HB2  ALA 134           HB1      ALA 134  16.394  -3.725  12.173
 1014    HB3  ALA 134           HB2      ALA 134  17.341  -2.373  12.832
 1015    H    SER 135           H        SER 135  19.877  -5.922  13.463
 1016    HA   SER 135           HA       SER 135  21.826  -4.374  14.912
 1017    HB2  SER 135           HB2      SER 135  22.142  -6.842  13.150
 1018    HB3  SER 135           HB3      SER 135  23.302  -6.251  14.353
 1019    HG   SER 135           HG       SER 135  21.979  -7.945  15.162
 1020    H    SER 136           H        SER 136  20.790  -4.280  11.567
 1021    HA   SER 136           HA       SER 136  23.144  -2.659  10.840
 1022    HB2  SER 136           HB2      SER 136  23.646  -4.112   8.903
 1023    HB3  SER 136           HB3      SER 136  23.868  -4.967  10.434
 1024    HG   SER 136           HG       SER 136  22.731  -6.324   9.144
 1025    H    GLU 137           H        GLU 137  22.949  -1.676   8.721
 1026    HA   GLU 137           HA       GLU 137  20.385  -0.664   8.023
 1027    HB2  GLU 137           HB2      GLU 137  22.876  -0.917   6.258
 1028    HB3  GLU 137           HB3      GLU 137  21.487   0.132   5.995
 1029    HG2  GLU 137           HG2      GLU 137  23.065   1.564   6.745
 1030    HG3  GLU 137           HG3      GLU 137  22.005   1.298   8.119
 1031    H    LYS 138           H        LYS 138  22.246  -3.527   6.976
 1032    HA   LYS 138           HA       LYS 138  20.586  -4.317   4.818
 1033    HB2  LYS 138           HB2      LYS 138  22.233  -6.058   6.675
 1034    HB3  LYS 138           HB3      LYS 138  21.457  -6.563   5.167
 1035    HG2  LYS 138           HG2      LYS 138  22.761  -4.501   4.122
 1036    HG3  LYS 138           HG3      LYS 138  23.794  -4.664   5.548
 1037    HD2  LYS 138           HD2      LYS 138  23.132  -6.828   3.517
 1038    HD3  LYS 138           HD3      LYS 138  24.631  -5.882   3.551
 1039    HE2  LYS 138           HE2      LYS 138  25.159  -6.797   5.812
 1040    HE3  LYS 138           HE3      LYS 138  23.688  -7.776   5.757
 1041    HZ1  LYS 138           HZ3      LYS 138  24.611  -8.936   3.835
 1042    HZ2  LYS 138           HZ1      LYS 138  25.974  -8.034   3.890
 1043    HZ3  LYS 138           HZ2      LYS 138  25.621  -9.056   5.106
 1044    H    GLN 139           H        GLN 139  20.390  -5.250   8.314
 1045    HA   GLN 139           HA       GLN 139  18.051  -6.732   7.990
 1046    HB2  GLN 139           HB2      GLN 139  19.830  -6.332  10.012
 1047    HB3  GLN 139           HB3      GLN 139  18.511  -5.304  10.591
 1048    HG2  GLN 139           HG2      GLN 139  16.957  -7.243  10.199
 1049    HG3  GLN 139           HG3      GLN 139  18.381  -8.199   9.731
 1050   HE21  GLN 139          HE22      GLN 139  16.553  -8.886  11.910
 1051   HE22  GLN 139          HE21      GLN 139  17.472  -8.812  13.391
 1052    H    LEU 140           H        LEU 140  18.430  -3.174   8.460
 1053    HA   LEU 140           HA       LEU 140  15.611  -2.717   8.922
 1054    HB2  LEU 140           HB2      LEU 140  17.911  -1.026   7.974
 1055    HB3  LEU 140           HB3      LEU 140  16.267  -0.385   7.977
 1056    HG   LEU 140           HG       LEU 140  17.715  -1.446  10.420
 1057   HD11  LEU 140          HD11      LEU 140  17.254   1.444   9.553
 1058   HD12  LEU 140          HD12      LEU 140  18.045   0.897  11.034
 1059   HD13  LEU 140          HD13      LEU 140  18.797   0.580   9.472
 1060   HD21  LEU 140          HD23      LEU 140  15.330  -1.571  10.767
 1061   HD22  LEU 140          HD21      LEU 140  15.979  -0.241  11.713
 1062   HD23  LEU 140          HD22      LEU 140  15.114   0.109  10.204
 1063    H    ALA 141           H        ALA 141  17.702  -2.650   5.974
 1064    HA   ALA 141           HA       ALA 141  15.643  -2.120   4.123
 1065    HB1  ALA 141           HB3      ALA 141  18.063  -1.912   3.689
 1066    HB2  ALA 141           HB1      ALA 141  18.183  -3.688   3.624
 1067    HB3  ALA 141           HB2      ALA 141  17.177  -2.810   2.442
 1068    H    ASP 142           H        ASP 142  16.700  -5.274   5.513
 1069    HA   ASP 142           HA       ASP 142  15.261  -6.975   3.799
 1070    HB2  ASP 142           HB2      ASP 142  16.820  -7.835   5.446
 1071    HB3  ASP 142           HB3      ASP 142  15.832  -7.219   6.771
 1072    H    ILE 143           H        ILE 143  14.070  -5.016   6.568
 1073    HA   ILE 143           HA       ILE 143  11.452  -6.157   6.585
 1074    HB   ILE 143           HB       ILE 143  12.674  -3.623   7.723
 1075   HG12  ILE 143          HG12      ILE 143  11.897  -6.169   9.215
 1076   HG13  ILE 143          HG13      ILE 143  13.502  -5.976   8.522
 1077   HG21  ILE 143          HG21      ILE 143  10.731  -3.539   9.223
 1078   HG22  ILE 143          HG22      ILE 143  10.306  -3.287   7.528
 1079   HG23  ILE 143          HG23      ILE 143   9.977  -4.863   8.296
 1080   HD11  ILE 143          HD13      ILE 143  13.797  -5.295  10.714
 1081   HD12  ILE 143          HD11      ILE 143  13.680  -3.771   9.833
 1082   HD13  ILE 143          HD12      ILE 143  12.274  -4.387  10.752
 1083    H    ILE 144           H        ILE 144  12.987  -3.386   4.938
 1084    HA   ILE 144           HA       ILE 144  10.669  -2.202   3.784
 1085    HB   ILE 144           HB       ILE 144  13.409  -2.553   2.467
 1086   HG12  ILE 144          HG12      ILE 144  13.708  -1.361   4.556
 1087   HG13  ILE 144          HG13      ILE 144  13.906  -0.271   3.183
 1088   HG21  ILE 144          HG21      ILE 144  11.114  -0.753   1.689
 1089   HG22  ILE 144          HG22      ILE 144  12.787  -0.568   1.118
 1090   HG23  ILE 144          HG23      ILE 144  11.886  -2.039   0.751
 1091   HD11  ILE 144          HD13      ILE 144  11.586  -0.507   5.108
 1092   HD12  ILE 144          HD11      ILE 144  12.631   0.895   4.740
 1093   HD13  ILE 144          HD12      ILE 144  11.432   0.339   3.554
 1094    H    SER 145           H        SER 145  12.776  -4.813   2.584
 1095    HA   SER 145           HA       SER 145  11.268  -5.140   0.261
 1096    HB2  SER 145           HB2      SER 145  13.101  -7.174   1.622
 1097    HB3  SER 145           HB3      SER 145  12.611  -7.201  -0.083
 1098    HG   SER 145           HG       SER 145  14.665  -6.219   0.229
 1099    H    ARG 146           H        ARG 146  10.816  -6.579   3.504
 1100    HA   ARG 146           HA       ARG 146   9.089  -8.692   2.741
 1101    HB2  ARG 146           HB2      ARG 146  10.256  -9.016   4.670
 1102    HB3  ARG 146           HB3      ARG 146  10.190  -7.333   5.182
 1103    HG2  ARG 146           HG2      ARG 146   7.957  -7.471   5.849
 1104    HG3  ARG 146           HG3      ARG 146   7.806  -9.160   5.294
 1105    HD2  ARG 146           HD2      ARG 146   9.417  -8.061   7.634
 1106    HD3  ARG 146           HD3      ARG 146   8.081  -9.207   7.706
 1107    HE   ARG 146           HE       ARG 146   9.505 -10.879   6.602
 1108   HH11  ARG 146          HH11      ARG 146  11.248  -8.487   8.562
 1109   HH12  ARG 146          HH12      ARG 146  12.795  -8.834   7.776
 1110   HH21  ARG 146          HH21      ARG 146  11.681 -11.516   5.907
 1111   HH22  ARG 146          HH22      ARG 146  13.029 -10.548   6.469
 1112    H    GLY 147           H        GLY 147   8.679  -5.305   3.705
 1113    HA2  GLY 147           HA2      GLY 147   6.881  -3.888   3.678
 1114    HA3  GLY 147           HA3      GLY 147   6.367  -4.795   2.250
  Start of MODEL    9
    1    H    MET   1           H1       MET   1   1.858  -1.302  -0.671
    2    HA   MET   1           HA       MET   1   2.705  -1.249  -3.492
    3    HB2  MET   1           HB2      MET   1   2.753   0.914  -1.413
    4    HB3  MET   1           HB3      MET   1   4.279   0.634  -2.237
    5    HG2  MET   1           HG2      MET   1   3.141   2.296  -3.475
    6    HG3  MET   1           HG3      MET   1   3.172   0.828  -4.431
    7    HE1  MET   1           HE3      MET   1  -0.527   2.909  -2.580
    8    HE2  MET   1           HE1      MET   1   0.807   2.346  -1.551
    9    HE3  MET   1           HE2      MET   1   1.098   3.601  -2.776
   10    H    ARG   2           H        ARG   2   4.822  -1.886  -3.916
   11    HA   ARG   2           HA       ARG   2   6.167  -3.524  -1.880
   12    HB2  ARG   2           HB2      ARG   2   7.025  -2.508  -4.644
   13    HB3  ARG   2           HB3      ARG   2   8.084  -3.379  -3.548
   14    HG2  ARG   2           HG2      ARG   2   7.312  -4.978  -5.071
   15    HG3  ARG   2           HG3      ARG   2   6.484  -5.311  -3.549
   16    HD2  ARG   2           HD2      ARG   2   4.432  -4.284  -4.395
   17    HD3  ARG   2           HD3      ARG   2   5.250  -3.758  -5.870
   18    HE   ARG   2           HE       ARG   2   4.292  -6.441  -5.155
   19   HH11  ARG   2          HH11      ARG   2   6.291  -4.589  -7.439
   20   HH12  ARG   2          HH12      ARG   2   6.260  -5.802  -8.664
   21   HH21  ARG   2          HH21      ARG   2   4.254  -8.051  -6.786
   22   HH22  ARG   2          HH22      ARG   2   5.075  -7.812  -8.281
   23    H    LEU   3           H        LEU   3   7.030  -2.471  -0.184
   24    HA   LEU   3           HA       LEU   3   7.243   0.322   0.073
   25    HB2  LEU   3           HB2      LEU   3   8.469  -2.034   1.513
   26    HB3  LEU   3           HB3      LEU   3   9.118  -0.445   1.851
   27    HG   LEU   3           HG       LEU   3   7.367  -1.269   3.451
   28   HD11  LEU   3          HD11      LEU   3   6.852   1.386   2.068
   29   HD12  LEU   3          HD12      LEU   3   6.333   0.912   3.705
   30   HD13  LEU   3          HD13      LEU   3   8.048   1.048   3.337
   31   HD21  LEU   3          HD23      LEU   3   5.374  -0.623   1.248
   32   HD22  LEU   3          HD21      LEU   3   5.772  -2.246   1.811
   33   HD23  LEU   3          HD22      LEU   3   5.023  -1.096   2.921
   34    H    SER   4           H        SER   4   9.679  -1.986  -1.111
   35    HA   SER   4           HA       SER   4  11.947  -0.391  -1.148
   36    HB2  SER   4           HB2      SER   4  12.441  -2.029  -3.179
   37    HB3  SER   4           HB3      SER   4  12.340  -2.617  -1.517
   38    HG   SER   4           HG       SER   4  11.117  -3.889  -2.992
   39    H    ASP   5           H        ASP   5   9.091   0.024  -3.209
   40    HA   ASP   5           HA       ASP   5  10.371   1.195  -5.452
   41    HB2  ASP   5           HB2      ASP   5   8.002   0.487  -5.375
   42    HB3  ASP   5           HB3      ASP   5   7.651   1.789  -4.234
   43    H    TYR   6           H        TYR   6   9.897   2.425  -2.197
   44    HA   TYR   6           HA       TYR   6  10.204   5.235  -3.085
   45    HB2  TYR   6           HB2      TYR   6   9.343   3.984  -0.465
   46    HB3  TYR   6           HB3      TYR   6   9.451   5.716  -0.750
   47    HD1  TYR   6           HD2      TYR   6   7.462   2.654  -1.507
   48    HD2  TYR   6           HD1      TYR   6   7.823   6.940  -1.978
   49    HE1  TYR   6           HE2      TYR   6   5.168   2.759  -2.393
   50    HE2  TYR   6           HE1      TYR   6   5.549   7.022  -2.959
   51    HH   TYR   6           HH       TYR   6   3.657   5.806  -3.550
   52    H    PHE   7           H        PHE   7  12.297   2.790  -1.743
   53    HA   PHE   7           HA       PHE   7  13.869   4.835  -0.246
   54    HB2  PHE   7           HB2      PHE   7  14.028   1.811  -0.142
   55    HB3  PHE   7           HB3      PHE   7  15.017   2.936   0.780
   56    HD1  PHE   7           HD1      PHE   7  11.543   1.735   0.257
   57    HD2  PHE   7           HD2      PHE   7  14.204   3.886   2.869
   58    HE1  PHE   7           HE1      PHE   7   9.729   1.936   1.924
   59    HE2  PHE   7           HE2      PHE   7  12.394   4.012   4.567
   60    HZ   PHE   7           HZ       PHE   7  10.165   3.060   4.101
   61    HA   PRO   8           HA       PRO   8  16.128   4.716  -4.149
   62    HB2  PRO   8           HB2      PRO   8  18.092   6.608  -3.596
   63    HB3  PRO   8           HB3      PRO   8  16.430   6.943  -4.148
   64    HG2  PRO   8           HG2      PRO   8  17.474   6.946  -1.306
   65    HG3  PRO   8           HG3      PRO   8  16.431   8.161  -2.110
   66    HD2  PRO   8           HD2      PRO   8  15.355   6.278  -0.520
   67    HD3  PRO   8           HD3      PRO   8  14.547   6.713  -2.049
   68    H    GLU   9           H        GLU   9  18.492   5.132  -1.494
   69    HA   GLU   9           HA       GLU   9  19.709   2.562  -1.867
   70    HB2  GLU   9           HB2      GLU   9  20.493   3.588  -3.967
   71    HB3  GLU   9           HB3      GLU   9  21.016   5.028  -3.099
   72    HG2  GLU   9           HG2      GLU   9  22.829   3.810  -2.040
   73    HG3  GLU   9           HG3      GLU   9  22.202   2.262  -2.620
   74    H    SER  10           H        SER  10  21.195   5.707  -1.128
   75    HA   SER  10           HA       SER  10  22.353   4.796   1.283
   76    HB2  SER  10           HB2      SER  10  21.754   7.705   0.663
   77    HB3  SER  10           HB3      SER  10  23.189   7.024   1.440
   78    HG   SER  10           HG       SER  10  23.812   6.193  -0.580
   79    H    SER  11           H        SER  11  19.209   4.846   0.899
   80    HA   SER  11           HA       SER  11  18.201   6.823   2.736
   81    HB2  SER  11           HB2      SER  11  16.098   5.197   2.208
   82    HB3  SER  11           HB3      SER  11  16.689   6.470   1.138
   83    HG   SER  11           HG       SER  11  17.139   3.675   0.931
   84    H    ILE  12           H        ILE  12  19.745   3.861   3.466
   85    HA   ILE  12           HA       ILE  12  17.982   3.362   5.793
   86    HB   ILE  12           HB       ILE  12  19.551   1.515   3.982
   87   HG12  ILE  12          HG12      ILE  12  16.612   2.279   4.203
   88   HG13  ILE  12          HG13      ILE  12  17.652   2.310   2.789
   89   HG21  ILE  12          HG21      ILE  12  19.593   0.782   6.295
   90   HG22  ILE  12          HG22      ILE  12  17.856   1.025   6.467
   91   HG23  ILE  12          HG23      ILE  12  18.500  -0.265   5.408
   92   HD11  ILE  12          HD13      ILE  12  16.063   0.536   2.624
   93   HD12  ILE  12          HD11      ILE  12  17.714  -0.124   2.762
   94   HD13  ILE  12          HD12      ILE  12  16.600  -0.142   4.167
   95    H    SER  13           H        SER  13  19.037   3.563   7.778
   96    HA   SER  13           HA       SER  13  21.940   3.157   7.936
   97    HB2  SER  13           HB2      SER  13  22.197   5.468   8.997
   98    HB3  SER  13           HB3      SER  13  21.993   5.417   7.242
   99    HG   SER  13           HG       SER  13  20.681   7.016   8.147
  100    H    VAL  14           H        VAL  14  22.743   2.907  10.016
  101    HA   VAL  14           HA       VAL  14  20.809   2.933  12.265
  102    HB   VAL  14           HB       VAL  14  23.121   1.019  11.786
  103   HG11  VAL  14          HG11      VAL  14  22.844   1.491  14.191
  104   HG12  VAL  14          HG12      VAL  14  21.099   1.172  14.076
  105   HG13  VAL  14          HG13      VAL  14  22.273  -0.139  13.836
  106   HG21  VAL  14          HG23      VAL  14  21.370  -0.757  11.728
  107   HG22  VAL  14          HG21      VAL  14  20.118   0.494  11.776
  108   HG23  VAL  14          HG22      VAL  14  21.208   0.363  10.379
  109    H    ILE  15           H        ILE  15  21.602   4.014  14.056
  110    HA   ILE  15           HA       ILE  15  24.223   5.422  13.846
  111    HB   ILE  15           HB       ILE  15  21.367   6.413  14.098
  112   HG12  ILE  15          HG12      ILE  15  23.699   7.027  12.252
  113   HG13  ILE  15          HG13      ILE  15  22.135   6.309  11.848
  114   HG21  ILE  15          HG21      ILE  15  22.118   8.647  14.715
  115   HG22  ILE  15          HG22      ILE  15  22.451   7.464  15.927
  116   HG23  ILE  15          HG23      ILE  15  23.789   8.047  14.882
  117   HD11  ILE  15          HD13      ILE  15  21.055   8.516  12.484
  118   HD12  ILE  15          HD11      ILE  15  22.695   9.195  12.627
  119   HD13  ILE  15          HD12      ILE  15  22.126   8.569  11.064
  120    H    HIS  16           H        HIS  16  25.200   5.897  15.844
  121    HA   HIS  16           HA       HIS  16  24.412   4.248  18.086
  122    HB2  HIS  16           HB2      HIS  16  26.294   5.465  19.238
  123    HB3  HIS  16           HB3      HIS  16  26.719   4.602  17.767
  124    HD1  HIS  16           HD1      HIS  16  25.963   8.329  18.730
  125    HD2  HIS  16           HD2      HIS  16  28.111   5.909  16.020
  126    HE1  HIS  16           HE1      HIS  16  27.354   9.906  17.304
  127    H    SER  17           H        SER  17  24.020   7.704  17.270
  128    HA   SER  17           HA       SER  17  21.800   8.143  18.966
  129    HB2  SER  17           HB2      SER  17  23.088   9.988  20.318
  130    HB3  SER  17           HB3      SER  17  23.097   8.327  20.900
  131    HG   SER  17           HG       SER  17  25.176   9.410  20.879
  132    H    ALA  18           H        ALA  18  21.010  10.394  18.392
  133    HA   ALA  18           HA       ALA  18  22.307  11.440  15.944
  134    HB1  ALA  18           HB3      ALA  18  19.869  11.413  15.955
  135    HB2  ALA  18           HB1      ALA  18  19.836  12.360  17.471
  136    HB3  ALA  18           HB2      ALA  18  20.463  13.074  15.972
  137    H    LYS  19           H        LYS  19  23.277  13.501  15.939
  138    HA   LYS  19           HA       LYS  19  24.758  14.275  18.210
  139    HB2  LYS  19           HB2      LYS  19  25.068  14.742  15.684
  140    HB3  LYS  19           HB3      LYS  19  23.996  16.103  15.895
  141    HG2  LYS  19           HG2      LYS  19  26.567  15.690  17.491
  142    HG3  LYS  19           HG3      LYS  19  26.518  16.535  15.953
  143    HD2  LYS  19           HD2      LYS  19  25.099  17.445  18.487
  144    HD3  LYS  19           HD3      LYS  19  26.607  18.080  17.845
  145    HE2  LYS  19           HE2      LYS  19  25.484  18.861  15.808
  146    HE3  LYS  19           HE3      LYS  19  23.948  18.171  16.352
  147    HZ1  LYS  19           HZ3      LYS  19  25.397  20.322  17.776
  148    HZ2  LYS  19           HZ1      LYS  19  24.102  20.545  16.811
  149    HZ3  LYS  19           HZ2      LYS  19  23.934  19.689  18.198
  150    H    ASP  20           H        ASP  20  21.623  15.386  16.977
  151    HA   ASP  20           HA       ASP  20  20.622  16.059  19.580
  152    HB2  ASP  20           HB2      ASP  20  21.202  18.264  17.542
  153    HB3  ASP  20           HB3      ASP  20  19.816  18.387  18.611
  154    H    TRP  21           H        TRP  21  18.280  16.630  19.297
  155    HA   TRP  21           HA       TRP  21  16.837  15.032  17.504
  156    HB2  TRP  21           HB2      TRP  21  15.065  16.932  18.165
  157    HB3  TRP  21           HB3      TRP  21  15.567  15.654  19.263
  158    HD1  TRP  21           HD1      TRP  21  16.154  19.354  18.580
  159    HE1  TRP  21           HE1      TRP  21  17.006  20.538  20.680
  160    HE3  TRP  21           HE3      TRP  21  16.969  15.251  21.472
  161    HZ2  TRP  21           HZ2      TRP  21  17.985  19.765  23.308
  162    HZ3  TRP  21           HZ3      TRP  21  17.945  15.478  23.745
  163    HH2  TRP  21           HH2      TRP  21  18.440  17.730  24.676
  164    H    GLN  22           H        GLN  22  18.039  18.400  17.008
  165    HA   GLN  22           HA       GLN  22  16.698  18.841  14.477
  166    HB2  GLN  22           HB2      GLN  22  19.319  19.921  15.571
  167    HB3  GLN  22           HB3      GLN  22  18.620  20.344  14.005
  168    HG2  GLN  22           HG2      GLN  22  16.435  20.855  15.404
  169    HG3  GLN  22           HG3      GLN  22  17.553  20.975  16.762
  170   HE21  GLN  22          HE22      GLN  22  18.918  22.873  16.871
  171   HE22  GLN  22          HE21      GLN  22  18.804  24.167  15.705
  172    H    GLU  23           H        GLU  23  19.878  17.330  15.344
  173    HA   GLU  23           HA       GLU  23  20.642  16.768  12.654
  174    HB2  GLU  23           HB2      GLU  23  22.038  16.730  14.895
  175    HB3  GLU  23           HB3      GLU  23  21.405  15.082  15.044
  176    HG2  GLU  23           HG2      GLU  23  23.418  14.694  13.975
  177    HG3  GLU  23           HG3      GLU  23  22.332  14.739  12.612
  178    H    ALA  24           H        ALA  24  18.693  15.020  15.035
  179    HA   ALA  24           HA       ALA  24  18.628  12.509  13.725
  180    HB1  ALA  24           HB3      ALA  24  16.398  13.733  15.398
  181    HB2  ALA  24           HB1      ALA  24  16.838  12.017  15.234
  182    HB3  ALA  24           HB2      ALA  24  17.931  13.152  16.071
  183    H    ILE  25           H        ILE  25  16.696  15.487  13.235
  184    HA   ILE  25           HA       ILE  25  14.959  14.322  11.226
  185    HB   ILE  25           HB       ILE  25  15.755  17.235  11.509
  186   HG12  ILE  25          HG12      ILE  25  14.369  15.717  13.495
  187   HG13  ILE  25          HG13      ILE  25  14.730  17.433  13.447
  188   HG21  ILE  25          HG21      ILE  25  13.286  15.951  10.274
  189   HG22  ILE  25          HG22      ILE  25  13.683  17.691  10.324
  190   HG23  ILE  25          HG23      ILE  25  14.670  16.600   9.390
  191   HD11  ILE  25          HD13      ILE  25  12.568  17.825  12.291
  192   HD12  ILE  25          HD11      ILE  25  12.237  16.070  12.387
  193   HD13  ILE  25          HD12      ILE  25  12.381  17.036  13.866
  194    H    ASP  26           H        ASP  26  18.033  16.239  11.152
  195    HA   ASP  26           HA       ASP  26  18.324  16.344   8.352
  196    HB2  ASP  26           HB2      ASP  26  19.782  17.590   9.874
  197    HB3  ASP  26           HB3      ASP  26  20.521  16.088  10.435
  198    H    PHE  27           H        PHE  27  19.452  13.754  10.598
  199    HA   PHE  27           HA       PHE  27  20.395  12.040   8.529
  200    HB2  PHE  27           HB2      PHE  27  19.654  11.660  11.440
  201    HB3  PHE  27           HB3      PHE  27  20.005  10.274  10.423
  202    HD1  PHE  27           HD2      PHE  27  22.177  10.571   8.854
  203    HD2  PHE  27           HD1      PHE  27  21.611  12.463  12.717
  204    HE1  PHE  27           HE2      PHE  27  24.628  10.742   9.147
  205    HE2  PHE  27           HE1      PHE  27  24.050  12.581  12.992
  206    HZ   PHE  27           HZ       PHE  27  25.572  11.741  11.221
  207    H    SER  28           H        SER  28  17.090  12.534   9.831
  208    HA   SER  28           HA       SER  28  15.947  10.215   8.561
  209    HB2  SER  28           HB2      SER  28  14.546  12.852   9.253
  210    HB3  SER  28           HB3      SER  28  13.784  11.318   8.913
  211    HG   SER  28           HG       SER  28  15.582  11.834  11.077
  212    H    MET  29           H        MET  29  17.039  13.319   7.280
  213    HA   MET  29           HA       MET  29  15.470  12.812   4.787
  214    HB2  MET  29           HB2      MET  29  16.550  15.403   5.851
  215    HB3  MET  29           HB3      MET  29  15.315  15.147   4.602
  216    HG2  MET  29           HG2      MET  29  14.656  14.307   7.403
  217    HG3  MET  29           HG3      MET  29  14.744  16.013   7.014
  218    HE1  MET  29           HE3      MET  29  13.347  12.745   5.285
  219    HE2  MET  29           HE1      MET  29  12.740  12.855   6.969
  220    HE3  MET  29           HE2      MET  29  11.607  13.037   5.606
  221    H    VAL  30           H        VAL  30  18.818  13.346   5.903
  222    HA   VAL  30           HA       VAL  30  19.734  14.728   3.710
  223    HB   VAL  30           HB       VAL  30  21.014  14.450   5.754
  224   HG11  VAL  30          HG11      VAL  30  22.335  12.468   6.256
  225   HG12  VAL  30          HG12      VAL  30  20.629  12.008   6.168
  226   HG13  VAL  30          HG13      VAL  30  21.720  11.631   4.817
  227   HG21  VAL  30          HG23      VAL  30  23.234  14.314   4.752
  228   HG22  VAL  30          HG21      VAL  30  22.578  13.491   3.318
  229   HG23  VAL  30          HG22      VAL  30  22.128  15.168   3.658
  230    H    SER  31           H        SER  31  19.404  11.143   3.937
  231    HA   SER  31           HA       SER  31  20.732  10.595   1.531
  232    HB2  SER  31           HB2      SER  31  18.369   9.086   2.724
  233    HB3  SER  31           HB3      SER  31  19.665   8.436   1.698
  234    HG   SER  31           HG       SER  31  20.471   7.978   3.601
  235    H    LEU  32           H        LEU  32  17.636  12.090   2.011
  236    HA   LEU  32           HA       LEU  32  16.759  11.593  -0.777
  237    HB2  LEU  32           HB2      LEU  32  15.447  12.927   1.639
  238    HB3  LEU  32           HB3      LEU  32  14.722  12.927   0.060
  239    HG   LEU  32           HG       LEU  32  15.400  10.428   1.659
  240   HD11  LEU  32          HD11      LEU  32  13.546  11.796   2.615
  241   HD12  LEU  32          HD12      LEU  32  12.687  11.681   1.065
  242   HD13  LEU  32          HD13      LEU  32  13.005  10.222   2.028
  243   HD21  LEU  32          HD23      LEU  32  13.851  10.704  -0.958
  244   HD22  LEU  32          HD21      LEU  32  15.447   9.943  -0.765
  245   HD23  LEU  32          HD22      LEU  32  14.052   9.216  -0.007
  246    H    LEU  33           H        LEU  33  17.813  14.207   1.462
  247    HA   LEU  33           HA       LEU  33  17.647  16.377  -0.266
  248    HB2  LEU  33           HB2      LEU  33  18.235  16.436   2.161
  249    HB3  LEU  33           HB3      LEU  33  19.816  15.776   1.766
  250    HG   LEU  33           HG       LEU  33  20.362  17.814   0.458
  251   HD11  LEU  33          HD11      LEU  33  17.680  18.869   1.438
  252   HD12  LEU  33          HD12      LEU  33  18.948  19.807   0.618
  253   HD13  LEU  33          HD13      LEU  33  18.123  18.526  -0.249
  254   HD21  LEU  33          HD23      LEU  33  19.455  18.400   3.290
  255   HD22  LEU  33          HD21      LEU  33  20.936  17.533   2.850
  256   HD23  LEU  33          HD22      LEU  33  20.744  19.211   2.368
  257    H    ASP  34           H        ASP  34  20.241  13.972   0.136
  258    HA   ASP  34           HA       ASP  34  22.172  15.133  -1.527
  259    HB2  ASP  34           HB2      ASP  34  22.648  13.447   0.192
  260    HB3  ASP  34           HB3      ASP  34  21.697  12.241  -0.675
  261    H    LYS  35           H        LYS  35  19.440  13.079  -2.433
  262    HA   LYS  35           HA       LYS  35  20.488  13.021  -5.239
  263    HB2  LYS  35           HB2      LYS  35  17.938  11.687  -4.572
  264    HB3  LYS  35           HB3      LYS  35  19.146  11.245  -5.752
  265    HG2  LYS  35           HG2      LYS  35  19.204  10.771  -2.763
  266    HG3  LYS  35           HG3      LYS  35  18.908   9.562  -4.003
  267    HD2  LYS  35           HD2      LYS  35  21.202   9.704  -4.807
  268    HD3  LYS  35           HD3      LYS  35  21.542  11.052  -3.699
  269    HE2  LYS  35           HE2      LYS  35  20.790   9.546  -1.796
  270    HE3  LYS  35           HE3      LYS  35  20.780   8.196  -2.938
  271    HZ1  LYS  35           HZ3      LYS  35  23.151   8.611  -3.338
  272    HZ2  LYS  35           HZ1      LYS  35  23.147   9.866  -2.277
  273    HZ3  LYS  35           HZ2      LYS  35  22.892   8.317  -1.752
  274    H    ASN  36           H        ASN  36  19.264  15.361  -3.636
  275    HA   ASN  36           HA       ASN  36  17.729  16.905  -3.732
  276    HB2  ASN  36           HB2      ASN  36  17.244  18.052  -5.835
  277    HB3  ASN  36           HB3      ASN  36  18.932  17.815  -5.453
  278   HD21  ASN  36          HD22      ASN  36  20.129  16.275  -6.574
  279   HD22  ASN  36          HD21      ASN  36  19.698  15.747  -8.194
  280    H    TYR  37           H        TYR  37  16.465  14.439  -3.200
  281    HA   TYR  37           HA       TYR  37  13.875  14.409  -4.600
  282    HB2  TYR  37           HB2      TYR  37  14.913  13.262  -1.997
  283    HB3  TYR  37           HB3      TYR  37  13.205  13.243  -2.356
  284    HD1  TYR  37           HD1      TYR  37  12.264  11.837  -4.096
  285    HD2  TYR  37           HD2      TYR  37  16.437  11.611  -3.027
  286    HE1  TYR  37           HE1      TYR  37  12.503   9.795  -5.483
  287    HE2  TYR  37           HE2      TYR  37  16.655   9.535  -4.356
  288    HH   TYR  37           HH       TYR  37  15.612   8.055  -5.841
  289    H    ILE  38           H        ILE  38  15.424  16.364  -2.196
  290    HA   ILE  38           HA       ILE  38  12.996  17.966  -1.759
  291    HB   ILE  38           HB       ILE  38  13.452  18.020   0.683
  292   HG12  ILE  38          HG12      ILE  38  15.427  15.772   0.111
  293   HG13  ILE  38          HG13      ILE  38  15.855  17.421   0.587
  294   HG21  ILE  38          HG21      ILE  38  11.776  16.410  -0.293
  295   HG22  ILE  38          HG22      ILE  38  13.007  15.137  -0.172
  296   HG23  ILE  38          HG23      ILE  38  12.417  15.966   1.276
  297   HD11  ILE  38          HD13      ILE  38  14.744  17.079   2.763
  298   HD12  ILE  38          HD11      ILE  38  14.404  15.385   2.303
  299   HD13  ILE  38          HD12      ILE  38  16.075  15.943   2.436
  300    H    SER  39           H        SER  39  13.727  19.921  -0.366
  301    HA   SER  39           HA       SER  39  16.378  20.977  -1.236
  302    HB2  SER  39           HB2      SER  39  13.914  22.600  -0.509
  303    HB3  SER  39           HB3      SER  39  15.344  23.119  -1.415
  304    HG   SER  39           HG       SER  39  13.304  21.303  -2.233
  305    H    GLU  40           H        GLU  40  17.408  22.409   0.451
  306    HA   GLU  40           HA       GLU  40  17.493  21.099   2.929
  307    HB2  GLU  40           HB2      GLU  40  18.429  23.902   2.207
  308    HB3  GLU  40           HB3      GLU  40  18.894  23.012   3.663
  309    HG2  GLU  40           HG2      GLU  40  19.874  21.209   2.232
  310    HG3  GLU  40           HG3      GLU  40  19.478  22.138   0.795
  311    H    ASN  41           H        ASN  41  15.508  23.912   2.051
  312    HA   ASN  41           HA       ASN  41  14.670  24.686   4.660
  313    HB2  ASN  41           HB2      ASN  41  14.135  25.991   2.627
  314    HB3  ASN  41           HB3      ASN  41  13.116  24.679   2.023
  315   HD21  ASN  41          HD22      ASN  41  10.972  24.382   2.936
  316   HD22  ASN  41          HD21      ASN  41  10.307  25.557   4.048
  317    H    TYR  42           H        TYR  42  13.693  21.899   2.670
  318    HA   TYR  42           HA       TYR  42  11.203  21.352   3.918
  319    HB2  TYR  42           HB2      TYR  42  12.031  20.411   1.759
  320    HB3  TYR  42           HB3      TYR  42  13.225  19.467   2.648
  321    HD1  TYR  42           HD1      TYR  42   9.614  19.858   1.967
  322    HD2  TYR  42           HD2      TYR  42  12.675  17.468   3.843
  323    HE1  TYR  42           HE1      TYR  42   8.011  17.961   2.179
  324    HE2  TYR  42           HE2      TYR  42  11.093  15.588   4.049
  325    HH   TYR  42           HH       TYR  42   9.004  14.791   3.609
  326    H    ILE  43           H        ILE  43  14.538  20.220   4.640
  327    HA   ILE  43           HA       ILE  43  13.895  18.567   6.859
  328    HB   ILE  43           HB       ILE  43  16.419  20.192   6.241
  329   HG12  ILE  43          HG12      ILE  43  17.079  17.569   5.819
  330   HG13  ILE  43          HG13      ILE  43  15.383  17.541   5.316
  331   HG21  ILE  43          HG21      ILE  43  16.094  17.825   8.140
  332   HG22  ILE  43          HG22      ILE  43  17.593  18.705   7.778
  333   HG23  ILE  43          HG23      ILE  43  16.283  19.515   8.644
  334   HD11  ILE  43          HD13      ILE  43  15.867  19.321   3.674
  335   HD12  ILE  43          HD11      ILE  43  17.547  19.400   4.281
  336   HD13  ILE  43          HD12      ILE  43  16.963  17.938   3.473
  337    H    GLN  44           H        GLN  44  14.769  22.086   6.708
  338    HA   GLN  44           HA       GLN  44  14.556  22.316   9.539
  339    HB2  GLN  44           HB2      GLN  44  15.901  23.792   7.883
  340    HB3  GLN  44           HB3      GLN  44  14.402  24.685   7.669
  341    HG2  GLN  44           HG2      GLN  44  15.768  25.774   9.385
  342    HG3  GLN  44           HG3      GLN  44  14.348  25.099  10.164
  343   HE21  GLN  44          HE22      GLN  44  14.925  24.242  12.206
  344   HE22  GLN  44          HE21      GLN  44  16.382  23.336  12.542
  345    H    ALA  45           H        ALA  45  12.098  22.606   7.027
  346    HA   ALA  45           HA       ALA  45  10.101  23.908   8.527
  347    HB1  ALA  45           HB3      ALA  45   9.702  21.608   6.551
  348    HB2  ALA  45           HB1      ALA  45   8.495  22.788   7.056
  349    HB3  ALA  45           HB2      ALA  45   9.897  23.325   6.106
  350    H    ILE  46           H        ILE  46  11.087  20.433   8.491
  351    HA   ILE  46           HA       ILE  46   8.994  19.624  10.293
  352    HB   ILE  46           HB       ILE  46  11.655  18.255   9.798
  353   HG12  ILE  46          HG12      ILE  46   9.069  17.670   8.331
  354   HG13  ILE  46          HG13      ILE  46  10.346  18.665   7.650
  355   HG21  ILE  46          HG21      ILE  46  10.293  17.504  11.793
  356   HG22  ILE  46          HG22      ILE  46   8.958  17.124  10.692
  357   HG23  ILE  46          HG23      ILE  46  10.496  16.240  10.588
  358   HD11  ILE  46          HD13      ILE  46  10.694  15.739   8.398
  359   HD12  ILE  46          HD11      ILE  46  10.545  16.415   6.774
  360   HD13  ILE  46          HD12      ILE  46  11.947  16.826   7.783
  361    H    LYS  47           H        LYS  47  12.496  20.422  10.671
  362    HA   LYS  47           HA       LYS  47  12.650  19.888  13.423
  363    HB2  LYS  47           HB2      LYS  47  14.064  21.966  11.714
  364    HB3  LYS  47           HB3      LYS  47  14.543  21.626  13.373
  365    HG2  LYS  47           HG2      LYS  47  15.343  19.448  12.817
  366    HG3  LYS  47           HG3      LYS  47  14.616  19.502  11.195
  367    HD2  LYS  47           HD2      LYS  47  16.073  21.270  10.510
  368    HD3  LYS  47           HD3      LYS  47  16.709  21.470  12.153
  369    HE2  LYS  47           HE2      LYS  47  17.908  19.418  12.029
  370    HE3  LYS  47           HE3      LYS  47  17.211  19.013  10.460
  371    HZ1  LYS  47           HZ3      LYS  47  18.963  21.360  11.024
  372    HZ2  LYS  47           HZ1      LYS  47  19.446  20.003  10.265
  373    HZ3  LYS  47           HZ2      LYS  47  18.359  20.999   9.560
  374    H    ASP  48           H        ASP  48  11.687  22.927  11.750
  375    HA   ASP  48           HA       ASP  48  11.672  24.608  13.990
  376    HB2  ASP  48           HB2      ASP  48  11.589  25.420  11.689
  377    HB3  ASP  48           HB3      ASP  48   9.982  24.723  11.462
  378    H    SER  49           H        SER  49   8.824  22.853  12.546
  379    HA   SER  49           HA       SER  49   7.013  23.592  14.637
  380    HB2  SER  49           HB2      SER  49   7.018  21.165  12.806
  381    HB3  SER  49           HB3      SER  49   5.626  21.787  13.717
  382    HG   SER  49           HG       SER  49   5.660  22.512  11.528
  383    H    THR  50           H        THR  50   9.198  20.737  14.230
  384    HA   THR  50           HA       THR  50   8.392  19.326  16.488
  385    HB   THR  50           HB       THR  50  11.152  19.508  15.253
  386    HG1  THR  50           HG1      THR  50   9.737  18.838  13.751
  387   HG21  THR  50          HG23      THR  50  11.383  18.406  17.387
  388   HG22  THR  50          HG21      THR  50   9.909  17.452  17.119
  389   HG23  THR  50          HG22      THR  50  11.353  17.164  16.123
  390    H    ILE  51           H        ILE  51  10.736  22.062  16.326
  391    HA   ILE  51           HA       ILE  51  11.321  21.935  19.163
  392    HB   ILE  51           HB       ILE  51  11.826  23.996  16.984
  393   HG12  ILE  51          HG12      ILE  51  13.828  22.219  18.458
  394   HG13  ILE  51          HG13      ILE  51  13.032  21.695  16.984
  395   HG21  ILE  51          HG21      ILE  51  12.858  24.039  19.860
  396   HG22  ILE  51          HG22      ILE  51  13.406  25.113  18.556
  397   HG23  ILE  51          HG23      ILE  51  11.753  25.220  19.124
  398   HD11  ILE  51          HD13      ILE  51  13.942  23.684  15.775
  399   HD12  ILE  51          HD11      ILE  51  14.881  24.097  17.233
  400   HD13  ILE  51          HD12      ILE  51  15.174  22.572  16.394
  401    H    ASN  52           H        ASN  52   9.234  24.047  17.114
  402    HA   ASN  52           HA       ASN  52   8.569  25.812  19.276
  403    HB2  ASN  52           HB2      ASN  52   7.467  25.372  16.480
  404    HB3  ASN  52           HB3      ASN  52   6.654  26.453  17.593
  405   HD21  ASN  52          HD22      ASN  52   9.704  25.968  15.844
  406   HD22  ASN  52          HD21      ASN  52  10.253  27.623  15.993
  407    H    ASN  53           H        ASN  53   6.978  22.916  18.024
  408    HA   ASN  53           HA       ASN  53   4.651  23.371  19.868
  409    HB2  ASN  53           HB2      ASN  53   4.293  23.749  17.386
  410    HB3  ASN  53           HB3      ASN  53   4.675  22.055  17.112
  411   HD21  ASN  53          HD22      ASN  53   2.189  24.237  17.709
  412   HD22  ASN  53          HD21      ASN  53   0.944  23.112  18.200
  413    H    GLY  54           H        GLY  54   6.543  20.924  18.073
  414    HA2  GLY  54           HA2      GLY  54   7.385  19.084  19.753
  415    HA3  GLY  54           HA3      GLY  54   5.647  18.740  19.857
  416    HA   PRO  55           HA       PRO  55   7.576  16.933  15.864
  417    HB2  PRO  55           HB2      PRO  55   7.518  14.257  16.452
  418    HB3  PRO  55           HB3      PRO  55   8.931  15.296  16.796
  419    HG2  PRO  55           HG2      PRO  55   6.712  14.480  18.686
  420    HG3  PRO  55           HG3      PRO  55   8.479  14.436  18.964
  421    HD2  PRO  55           HD2      PRO  55   6.910  16.489  19.869
  422    HD3  PRO  55           HD3      PRO  55   8.561  16.809  19.260
  423    H    TYR  56           H        TYR  56   6.195  16.048  14.291
  424    HA   TYR  56           HA       TYR  56   3.361  15.653  15.154
  425    HB2  TYR  56           HB2      TYR  56   2.629  17.197  13.477
  426    HB3  TYR  56           HB3      TYR  56   3.739  17.971  14.581
  427    HD1  TYR  56           HD1      TYR  56   6.222  18.295  13.817
  428    HD2  TYR  56           HD2      TYR  56   2.960  17.372  11.140
  429    HE1  TYR  56           HE1      TYR  56   7.545  19.141  11.917
  430    HE2  TYR  56           HE2      TYR  56   4.246  18.316   9.249
  431    HH   TYR  56           HH       TYR  56   6.213  19.340   8.582
  432    H    TYR  57           H        TYR  57   5.686  13.921  13.909
  433    HA   TYR  57           HA       TYR  57   3.785  12.283  12.370
  434    HB2  TYR  57           HB2      TYR  57   6.473  13.159  11.351
  435    HB3  TYR  57           HB3      TYR  57   5.831  11.552  11.012
  436    HD1  TYR  57           HD1      TYR  57   3.937  11.154   9.580
  437    HD2  TYR  57           HD2      TYR  57   5.244  15.179  10.425
  438    HE1  TYR  57           HE1      TYR  57   2.377  12.015   7.861
  439    HE2  TYR  57           HE2      TYR  57   3.684  16.046   8.716
  440    HH   TYR  57           HH       TYR  57   1.966  15.526   7.213
  441    H    ILE  58           H        ILE  58   3.465  11.076  14.183
  442    HA   ILE  58           HA       ILE  58   5.680   9.501  15.331
  443    HB   ILE  58           HB       ILE  58   3.651  11.110  16.943
  444   HG12  ILE  58          HG12      ILE  58   5.536  12.540  16.269
  445   HG13  ILE  58          HG13      ILE  58   5.465  12.275  17.999
  446   HG21  ILE  58          HG21      ILE  58   3.884   8.977  18.022
  447   HG22  ILE  58          HG22      ILE  58   5.644   8.983  17.842
  448   HG23  ILE  58          HG23      ILE  58   4.845  10.126  18.949
  449   HD11  ILE  58          HD13      ILE  58   7.788  12.178  17.272
  450   HD12  ILE  58          HD11      ILE  58   7.295  10.582  17.812
  451   HD13  ILE  58          HD12      ILE  58   7.395  10.930  16.076
  452    H    LEU  59           H        LEU  59   4.961   7.419  15.650
  453    HA   LEU  59           HA       LEU  59   2.112   6.867  14.896
  454    HB2  LEU  59           HB2      LEU  59   4.641   5.325  14.173
  455    HB3  LEU  59           HB3      LEU  59   3.006   4.793  13.865
  456    HG   LEU  59           HG       LEU  59   3.795   5.563  11.825
  457   HD11  LEU  59          HD11      LEU  59   2.283   7.297  11.160
  458   HD12  LEU  59          HD12      LEU  59   1.484   6.282  12.367
  459   HD13  LEU  59          HD13      LEU  59   2.114   7.882  12.823
  460   HD21  LEU  59          HD23      LEU  59   5.746   6.871  12.449
  461   HD22  LEU  59          HD21      LEU  59   4.685   7.798  11.379
  462   HD23  LEU  59          HD22      LEU  59   4.726   8.183  13.067
  463    H    ALA  60           H        ALA  60   4.822   6.056  17.004
  464    HA   ALA  60           HA       ALA  60   3.049   4.931  18.954
  465    HB1  ALA  60           HB3      ALA  60   3.457   2.875  17.578
  466    HB2  ALA  60           HB1      ALA  60   5.211   3.146  17.708
  467    HB3  ALA  60           HB2      ALA  60   4.261   2.753  19.152
  468    HA   PRO  61           HA       PRO  61   6.459   6.652  21.395
  469    HB2  PRO  61           HB2      PRO  61   6.294   4.144  23.064
  470    HB3  PRO  61           HB3      PRO  61   6.335   5.858  23.589
  471    HG2  PRO  61           HG2      PRO  61   4.006   4.466  23.600
  472    HG3  PRO  61           HG3      PRO  61   4.049   6.170  23.040
  473    HD2  PRO  61           HD2      PRO  61   4.026   3.649  21.371
  474    HD3  PRO  61           HD3      PRO  61   3.100   5.168  21.150
  475    H    GLY  62           H        GLY  62   8.511   6.593  20.579
  476    HA2  GLY  62           HA2      GLY  62  10.639   5.557  20.325
  477    HA3  GLY  62           HA3      GLY  62   9.872   3.992  20.116
  478    H    VAL  63           H        VAL  63   7.882   5.643  18.147
  479    HA   VAL  63           HA       VAL  63   9.665   5.323  15.771
  480    HB   VAL  63           HB       VAL  63   6.849   4.256  16.238
  481   HG11  VAL  63          HG11      VAL  63   8.563   4.153  13.721
  482   HG12  VAL  63          HG12      VAL  63   7.065   3.215  13.971
  483   HG13  VAL  63          HG13      VAL  63   7.011   4.978  13.908
  484   HG21  VAL  63          HG23      VAL  63   8.523   2.831  17.302
  485   HG22  VAL  63          HG21      VAL  63   7.940   2.039  15.840
  486   HG23  VAL  63          HG22      VAL  63   9.521   2.839  15.831
  487    H    ALA  64           H        ALA  64   9.765   7.078  14.607
  488    HA   ALA  64           HA       ALA  64   7.449   8.935  14.404
  489    HB1  ALA  64           HB3      ALA  64   9.068  10.743  14.053
  490    HB2  ALA  64           HB1      ALA  64   9.425   9.937  15.585
  491    HB3  ALA  64           HB2      ALA  64  10.419   9.592  14.149
  492    H    MET  65           H        MET  65   7.476  10.102  12.272
  493    HA   MET  65           HA       MET  65   8.790   8.577  10.137
  494    HB2  MET  65           HB2      MET  65   6.578   7.641  10.350
  495    HB3  MET  65           HB3      MET  65   5.860   9.230  10.011
  496    HG2  MET  65           HG2      MET  65   7.477   8.935   7.836
  497    HG3  MET  65           HG3      MET  65   7.211   7.244   8.224
  498    HE1  MET  65           HE3      MET  65   3.204   7.083   7.893
  499    HE2  MET  65           HE1      MET  65   4.646   6.184   8.406
  500    HE3  MET  65           HE2      MET  65   4.024   7.539   9.393
  501    HA   PRO  66           HA       PRO  66   8.898  13.302  10.216
  502    HB2  PRO  66           HB2      PRO  66  11.710  12.745   9.188
  503    HB3  PRO  66           HB3      PRO  66  11.159  14.081  10.245
  504    HG2  PRO  66           HG2      PRO  66  12.339  11.948  11.360
  505    HG3  PRO  66           HG3      PRO  66  10.833  12.580  12.092
  506    HD2  PRO  66           HD2      PRO  66  11.149  10.230  10.201
  507    HD3  PRO  66           HD3      PRO  66  10.236  10.328  11.730
  508    H    HIS  67           H        HIS  67   8.518  14.676   8.641
  509    HA   HIS  67           HA       HIS  67   8.808  14.524   5.830
  510    HB2  HIS  67           HB2      HIS  67   7.410  12.584   5.774
  511    HB3  HIS  67           HB3      HIS  67   6.408  13.158   7.092
  512    HD1  HIS  67           HD1      HIS  67   4.318  14.571   6.530
  513    HD2  HIS  67           HD2      HIS  67   6.782  13.753   3.215
  514    HE1  HIS  67           HE1      HIS  67   3.010  15.252   4.465
  515    H    ALA  68           H        ALA  68   7.593  16.320   4.884
  516    HA   ALA  68           HA       ALA  68   5.995  18.082   6.617
  517    HB1  ALA  68           HB3      ALA  68   8.403  19.021   4.991
  518    HB2  ALA  68           HB1      ALA  68   7.169  20.073   5.709
  519    HB3  ALA  68           HB2      ALA  68   8.215  19.122   6.756
  520    H    ARG  69           H        ARG  69   4.722  19.561   5.229
  521    HA   ARG  69           HA       ARG  69   3.410  18.145   3.168
  522    HB2  ARG  69           HB2      ARG  69   3.619  21.128   3.715
  523    HB3  ARG  69           HB3      ARG  69   2.480  20.409   2.554
  524    HG2  ARG  69           HG2      ARG  69   1.532  19.047   4.491
  525    HG3  ARG  69           HG3      ARG  69   2.519  20.036   5.576
  526    HD2  ARG  69           HD2      ARG  69   0.286  20.962   3.726
  527    HD3  ARG  69           HD3      ARG  69   0.252  20.942   5.487
  528    HE   ARG  69           HE       ARG  69   1.457  22.938   3.714
  529   HH11  ARG  69          HH11      ARG  69   1.489  21.765   7.082
  530   HH12  ARG  69          HH12      ARG  69   2.182  23.222   7.691
  531   HH21  ARG  69          HH21      ARG  69   2.312  24.723   4.442
  532   HH22  ARG  69          HH22      ARG  69   2.675  25.014   6.135
  533    HA   PRO  70           HA       PRO  70   6.189  18.160  -0.257
  534    HB2  PRO  70           HB2      PRO  70   3.788  19.215  -1.826
  535    HB3  PRO  70           HB3      PRO  70   4.967  17.977  -2.323
  536    HG2  PRO  70           HG2      PRO  70   2.563  17.240  -1.316
  537    HG3  PRO  70           HG3      PRO  70   4.035  16.390  -0.749
  538    HD2  PRO  70           HD2      PRO  70   2.452  18.534   0.649
  539    HD3  PRO  70           HD3      PRO  70   3.277  17.092   1.318
  540    H    GLU  71           H        GLU  71   4.031  21.040  -0.126
  541    HA   GLU  71           HA       GLU  71   5.511  22.840  -1.653
  542    HB2  GLU  71           HB2      GLU  71   4.170  24.568  -0.531
  543    HB3  GLU  71           HB3      GLU  71   3.193  23.178  -1.017
  544    HG2  GLU  71           HG2      GLU  71   3.177  22.331   1.293
  545    HG3  GLU  71           HG3      GLU  71   4.260  23.622   1.810
  546    H    CYS  72           H        CYS  72   6.502  21.571   1.388
  547    HA   CYS  72           HA       CYS  72   7.929  23.963   2.293
  548    HB2  CYS  72           HB2      CYS  72   8.075  21.076   3.275
  549    HB3  CYS  72           HB3      CYS  72   8.765  22.502   4.070
  550    HG   CYS  72           HG       CYS  72   5.652  21.696   3.414
  551    H    GLY  73           H        GLY  73   8.478  21.769  -0.207
  552    HA2  GLY  73           HA2      GLY  73  10.467  22.580  -1.474
  553    HA3  GLY  73           HA3      GLY  73  11.445  22.196  -0.054
  554    H    ALA  74           H        ALA  74   8.835  19.932  -0.782
  555    HA   ALA  74           HA       ALA  74  10.742  17.823  -1.480
  556    HB1  ALA  74           HB3      ALA  74   8.817  16.436  -1.811
  557    HB2  ALA  74           HB1      ALA  74   8.632  17.300  -0.278
  558    HB3  ALA  74           HB2      ALA  74   7.743  17.845  -1.736
  559    H    LEU  75           H        LEU  75  11.100  16.983  -3.478
  560    HA   LEU  75           HA       LEU  75  10.234  18.593  -5.846
  561    HB2  LEU  75           HB2      LEU  75  12.960  17.367  -5.285
  562    HB3  LEU  75           HB3      LEU  75  12.509  18.252  -6.732
  563    HG   LEU  75           HG       LEU  75  12.682  19.433  -3.924
  564   HD11  LEU  75          HD11      LEU  75  14.879  18.832  -4.786
  565   HD12  LEU  75          HD12      LEU  75  14.557  19.689  -6.309
  566   HD13  LEU  75          HD13      LEU  75  14.691  20.587  -4.779
  567   HD21  LEU  75          HD23      LEU  75  12.227  20.802  -6.619
  568   HD22  LEU  75          HD21      LEU  75  11.043  20.668  -5.303
  569   HD23  LEU  75          HD22      LEU  75  12.503  21.628  -5.068
  570    H    LYS  76           H        LYS  76  11.177  15.422  -4.525
  571    HA   LYS  76           HA       LYS  76   9.699  14.072  -6.667
  572    HB2  LYS  76           HB2      LYS  76  12.515  13.373  -5.784
  573    HB3  LYS  76           HB3      LYS  76  11.517  12.366  -6.838
  574    HG2  LYS  76           HG2      LYS  76  11.507  14.166  -8.538
  575    HG3  LYS  76           HG3      LYS  76  12.511  15.180  -7.492
  576    HD2  LYS  76           HD2      LYS  76  13.377  12.471  -8.584
  577    HD3  LYS  76           HD3      LYS  76  13.777  14.042  -9.301
  578    HE2  LYS  76           HE2      LYS  76  14.831  14.721  -7.111
  579    HE3  LYS  76           HE3      LYS  76  14.577  13.071  -6.519
  580    HZ1  LYS  76           HZ3      LYS  76  16.014  12.290  -8.317
  581    HZ2  LYS  76           HZ1      LYS  76  16.242  13.826  -8.848
  582    HZ3  LYS  76           HZ2      LYS  76  16.794  13.384  -7.376
  583    H    THR  77           H        THR  77   9.142  11.765  -5.902
  584    HA   THR  77           HA       THR  77   8.665  11.842  -3.058
  585    HB   THR  77           HB       THR  77   7.594  10.207  -5.380
  586    HG1  THR  77           HG1      THR  77   6.280  11.742  -5.645
  587   HG21  THR  77          HG23      THR  77   6.605  10.405  -2.514
  588   HG22  THR  77          HG21      THR  77   5.775   9.570  -3.858
  589   HG23  THR  77          HG22      THR  77   7.337   8.977  -3.287
  590    H    GLY  78           H        GLY  78   9.586  10.453  -1.548
  591    HA2  GLY  78           HA2      GLY  78  10.752   7.924  -2.159
  592    HA3  GLY  78           HA3      GLY  78  12.011   9.165  -2.066
  593    H    MET  79           H        MET  79  12.363   7.373  -0.185
  594    HA   MET  79           HA       MET  79  11.317   8.476   2.363
  595    HB2  MET  79           HB2      MET  79  11.190   5.605   1.356
  596    HB3  MET  79           HB3      MET  79  11.016   6.022   3.060
  597    HG2  MET  79           HG2      MET  79   9.021   7.286   2.671
  598    HG3  MET  79           HG3      MET  79   9.187   7.133   0.921
  599    HE1  MET  79           HE3      MET  79   7.013   6.250   0.406
  600    HE2  MET  79           HE1      MET  79   6.247   4.782   1.039
  601    HE3  MET  79           HE2      MET  79   6.365   6.237   2.055
  602    H    SER  80           H        SER  80  12.392   7.427   4.245
  603    HA   SER  80           HA       SER  80  15.142   6.457   3.807
  604    HB2  SER  80           HB2      SER  80  14.609   8.503   5.958
  605    HB3  SER  80           HB3      SER  80  16.151   8.026   5.252
  606    HG   SER  80           HG       SER  80  15.094  10.141   4.749
  607    H    LEU  81           H        LEU  81  15.957   5.462   5.870
  608    HA   LEU  81           HA       LEU  81  13.887   4.537   7.775
  609    HB2  LEU  81           HB2      LEU  81  14.130   3.105   5.711
  610    HB3  LEU  81           HB3      LEU  81  15.836   2.924   6.069
  611    HG   LEU  81           HG       LEU  81  15.300   1.676   8.132
  612   HD11  LEU  81          HD11      LEU  81  13.125   2.556   8.702
  613   HD12  LEU  81          HD12      LEU  81  12.425   1.972   7.166
  614   HD13  LEU  81          HD13      LEU  81  12.977   0.824   8.406
  615   HD21  LEU  81          HD23      LEU  81  14.224  -0.269   6.729
  616   HD22  LEU  81          HD21      LEU  81  14.307   0.899   5.382
  617   HD23  LEU  81          HD22      LEU  81  15.768   0.409   6.183
  618    H    THR  82           H        THR  82  14.981   5.868   9.394
  619    HA   THR  82           HA       THR  82  17.871   5.345   9.856
  620    HB   THR  82           HB       THR  82  16.033   7.474  11.040
  621    HG1  THR  82           HG1      THR  82  15.993   7.784   8.864
  622   HG21  THR  82          HG23      THR  82  18.136   8.712  11.384
  623   HG22  THR  82          HG21      THR  82  18.117   7.160  12.236
  624   HG23  THR  82          HG22      THR  82  19.056   7.327  10.734
  625    H    LEU  83           H        LEU  83  18.480   4.291  11.781
  626    HA   LEU  83           HA       LEU  83  16.466   4.027  13.963
  627    HB2  LEU  83           HB2      LEU  83  16.694   1.876  12.658
  628    HB3  LEU  83           HB3      LEU  83  18.420   1.903  13.049
  629    HG   LEU  83           HG       LEU  83  17.642   1.954  15.543
  630   HD11  LEU  83          HD11      LEU  83  15.101   0.751  14.348
  631   HD12  LEU  83          HD12      LEU  83  15.505   0.979  16.060
  632   HD13  LEU  83          HD13      LEU  83  15.222   2.388  15.041
  633   HD21  LEU  83          HD23      LEU  83  17.210  -0.497  13.824
  634   HD22  LEU  83          HD21      LEU  83  18.756   0.038  14.512
  635   HD23  LEU  83          HD22      LEU  83  17.453  -0.510  15.580
  636    H    LEU  84           H        LEU  84  17.364   4.278  16.001
  637    HA   LEU  84           HA       LEU  84  20.235   5.094  16.182
  638    HB2  LEU  84           HB2      LEU  84  17.718   6.259  17.389
  639    HB3  LEU  84           HB3      LEU  84  19.288   6.451  18.168
  640    HG   LEU  84           HG       LEU  84  20.169   7.766  16.391
  641   HD11  LEU  84          HD11      LEU  84  17.550   7.262  14.932
  642   HD12  LEU  84          HD12      LEU  84  18.704   8.553  14.503
  643   HD13  LEU  84          HD13      LEU  84  19.197   6.868  14.388
  644   HD21  LEU  84          HD23      LEU  84  17.370   8.620  17.246
  645   HD22  LEU  84          HD21      LEU  84  18.896   8.884  18.128
  646   HD23  LEU  84          HD22      LEU  84  18.605   9.699  16.587
  647    H    GLU  85           H        GLU  85  21.344   3.902  17.708
  648    HA   GLU  85           HA       GLU  85  20.124   1.760  19.106
  649    HB2  GLU  85           HB2      GLU  85  22.823   3.112  19.468
  650    HB3  GLU  85           HB3      GLU  85  22.323   1.653  20.330
  651    HG2  GLU  85           HG2      GLU  85  21.950   0.506  18.138
  652    HG3  GLU  85           HG3      GLU  85  22.568   1.928  17.303
  653    H    GLN  86           H        GLN  86  21.263   4.922  20.241
  654    HA   GLN  86           HA       GLN  86  20.124   4.491  22.926
  655    HB2  GLN  86           HB2      GLN  86  21.594   6.856  21.671
  656    HB3  GLN  86           HB3      GLN  86  21.119   6.761  23.362
  657    HG2  GLN  86           HG2      GLN  86  22.477   4.723  23.695
  658    HG3  GLN  86           HG3      GLN  86  22.942   4.725  21.995
  659   HE21  GLN  86          HE22      GLN  86  24.388   6.307  21.203
  660   HE22  GLN  86          HE21      GLN  86  25.454   7.193  22.278
  661    H    GLY  87           H        GLY  87  18.957   5.760  19.967
  662    HA2  GLY  87           HA2      GLY  87  17.135   7.049  19.395
  663    HA3  GLY  87           HA3      GLY  87  16.532   6.880  21.050
  664    H    VAL  88           H        VAL  88  15.993   9.264  20.211
  665    HA   VAL  88           HA       VAL  88  17.658  10.856  21.945
  666    HB   VAL  88           HB       VAL  88  18.423  11.025  19.342
  667   HG11  VAL  88          HG11      VAL  88  16.380  13.246  19.516
  668   HG12  VAL  88          HG12      VAL  88  17.539  12.915  18.223
  669   HG13  VAL  88          HG13      VAL  88  16.232  11.753  18.549
  670   HG21  VAL  88          HG23      VAL  88  19.587  11.960  21.191
  671   HG22  VAL  88          HG21      VAL  88  19.449  13.145  19.881
  672   HG23  VAL  88          HG22      VAL  88  18.416  13.297  21.322
  673    H    TYR  89           H        TYR  89  16.377  13.096  22.220
  674    HA   TYR  89           HA       TYR  89  13.528  12.241  22.422
  675    HB2  TYR  89           HB2      TYR  89  15.063  12.147  24.488
  676    HB3  TYR  89           HB3      TYR  89  14.923  13.887  24.524
  677    HD1  TYR  89           HD1      TYR  89  11.700  13.193  23.378
  678    HD2  TYR  89           HD2      TYR  89  14.222  12.419  26.821
  679    HE1  TYR  89           HE1      TYR  89   9.716  12.838  24.771
  680    HE2  TYR  89           HE2      TYR  89  12.213  12.087  28.214
  681    HH   TYR  89           HH       TYR  89   9.887  12.035  28.268
  682    H    PHE  90           H        PHE  90  12.685  13.350  20.737
  683    HA   PHE  90           HA       PHE  90  13.048  16.067  20.085
  684    HB2  PHE  90           HB2      PHE  90  10.627  14.227  20.024
  685    HB3  PHE  90           HB3      PHE  90  10.608  15.850  19.327
  686    HD1  PHE  90           HD1      PHE  90  13.015  16.207  17.859
  687    HD2  PHE  90           HD2      PHE  90  10.596  12.664  18.241
  688    HE1  PHE  90           HE1      PHE  90  13.887  15.388  15.700
  689    HE2  PHE  90           HE2      PHE  90  11.446  11.859  16.046
  690    HZ   PHE  90           HZ       PHE  90  13.092  13.231  14.772
  691    HA   PRO  91           HA       PRO  91  11.744  17.945  23.812
  692    HB2  PRO  91           HB2      PRO  91  10.924  20.465  22.992
  693    HB3  PRO  91           HB3      PRO  91  12.628  19.935  23.139
  694    HG2  PRO  91           HG2      PRO  91  10.895  19.990  20.662
  695    HG3  PRO  91           HG3      PRO  91  12.583  20.573  20.844
  696    HD2  PRO  91           HD2      PRO  91  12.027  18.146  19.769
  697    HD3  PRO  91           HD3      PRO  91  13.430  18.356  20.862
  698    H    GLY  92           H        GLY  92   9.985  17.657  25.018
  699    HA2  GLY  92           HA2      GLY  92   7.842  17.630  25.748
  700    HA3  GLY  92           HA3      GLY  92   7.391  18.620  24.355
  701    H    ASN  93           H        ASN  93   8.861  15.596  23.352
  702    HA   ASN  93           HA       ASN  93   6.293  14.625  22.397
  703    HB2  ASN  93           HB2      ASN  93   8.551  14.369  21.235
  704    HB3  ASN  93           HB3      ASN  93   8.963  13.172  22.461
  705   HD21  ASN  93          HD22      ASN  93   8.857  11.220  21.341
  706   HD22  ASN  93          HD21      ASN  93   7.510  10.748  20.319
  707    H    ASP  94           H        ASP  94   5.678  12.246  22.874
  708    HA   ASP  94           HA       ASP  94   5.189  11.961  25.660
  709    HB2  ASP  94           HB2      ASP  94   3.719  11.036  23.916
  710    HB3  ASP  94           HB3      ASP  94   4.986   9.899  23.439
  711    H    GLU  95           H        GLU  95   7.630  10.465  23.559
  712    HA   GLU  95           HA       GLU  95   9.365   9.877  25.787
  713    HB2  GLU  95           HB2      GLU  95   8.778   7.792  26.159
  714    HB3  GLU  95           HB3      GLU  95   7.479   7.910  24.979
  715    HG2  GLU  95           HG2      GLU  95   8.884   7.037  23.218
  716    HG3  GLU  95           HG3      GLU  95  10.281   6.971  24.304
  717    HA   PRO  96           HA       PRO  96  12.384  10.467  22.579
  718    HB2  PRO  96           HB2      PRO  96  14.321   8.518  23.017
  719    HB3  PRO  96           HB3      PRO  96  14.154  10.024  23.965
  720    HG2  PRO  96           HG2      PRO  96  13.071   7.276  24.628
  721    HG3  PRO  96           HG3      PRO  96  13.961   8.408  25.699
  722    HD2  PRO  96           HD2      PRO  96  11.272   8.262  25.805
  723    HD3  PRO  96           HD3      PRO  96  12.078   9.848  25.881
  724    H    ILE  97           H        ILE  97  13.304   9.555  20.614
  725    HA   ILE  97           HA       ILE  97  11.646   7.318  19.513
  726    HB   ILE  97           HB       ILE  97  12.775   9.803  18.175
  727   HG12  ILE  97          HG12      ILE  97  10.840  10.435  19.434
  728   HG13  ILE  97          HG13      ILE  97  10.379  10.360  17.744
  729   HG21  ILE  97          HG21      ILE  97  11.177   7.532  16.914
  730   HG22  ILE  97          HG22      ILE  97  11.630   9.052  16.136
  731   HG23  ILE  97          HG23      ILE  97  12.878   7.908  16.590
  732   HD11  ILE  97          HD13      ILE  97   8.614   9.448  19.162
  733   HD12  ILE  97          HD11      ILE  97   9.269   8.164  18.143
  734   HD13  ILE  97          HD12      ILE  97   9.703   8.279  19.873
  735    H    LYS  98           H        LYS  98  12.651   5.682  18.602
  736    HA   LYS  98           HA       LYS  98  15.631   5.765  18.368
  737    HB2  LYS  98           HB2      LYS  98  13.699   3.500  19.003
  738    HB3  LYS  98           HB3      LYS  98  15.326   3.211  18.370
  739    HG2  LYS  98           HG2      LYS  98  16.356   4.335  20.259
  740    HG3  LYS  98           HG3      LYS  98  14.783   4.818  20.899
  741    HD2  LYS  98           HD2      LYS  98  15.782   2.875  22.097
  742    HD3  LYS  98           HD3      LYS  98  14.187   2.563  21.429
  743    HE2  LYS  98           HE2      LYS  98  15.650   0.630  21.143
  744    HE3  LYS  98           HE3      LYS  98  15.124   1.265  19.587
  745    HZ1  LYS  98           HZ3      LYS  98  17.781   1.806  20.810
  746    HZ2  LYS  98           HZ1      LYS  98  17.487   0.702  19.637
  747    HZ3  LYS  98           HZ2      LYS  98  17.311   2.304  19.327
  748    H    LEU  99           H        LEU  99  12.640   5.641  16.542
  749    HA   LEU  99           HA       LEU  99  14.290   4.922  14.185
  750    HB2  LEU  99           HB2      LEU  99  12.989   2.902  15.072
  751    HB3  LEU  99           HB3      LEU  99  11.527   3.866  14.891
  752    HG   LEU  99           HG       LEU  99  12.152   4.053  12.381
  753   HD11  LEU  99          HD11      LEU  99  14.513   3.018  12.752
  754   HD12  LEU  99          HD12      LEU  99  13.684   1.474  12.852
  755   HD13  LEU  99          HD13      LEU  99  13.565   2.441  11.381
  756   HD21  LEU  99          HD23      LEU  99  10.269   2.797  13.172
  757   HD22  LEU  99          HD21      LEU  99  11.122   1.853  11.952
  758   HD23  LEU  99          HD22      LEU  99  11.307   1.453  13.682
  759    H    LEU 100           H        LEU 100  13.870   5.977  12.367
  760    HA   LEU 100           HA       LEU 100  11.620   7.917  12.296
  761    HB2  LEU 100           HB2      LEU 100  14.458   8.771  11.617
  762    HB3  LEU 100           HB3      LEU 100  13.008   9.723  11.717
  763    HG   LEU 100           HG       LEU 100  13.063   8.835  14.253
  764   HD11  LEU 100          HD11      LEU 100  15.171   7.491  13.932
  765   HD12  LEU 100          HD12      LEU 100  16.021   8.990  13.536
  766   HD13  LEU 100          HD13      LEU 100  15.338   8.749  15.161
  767   HD21  LEU 100          HD23      LEU 100  14.768  11.152  13.308
  768   HD22  LEU 100          HD21      LEU 100  13.016  11.188  13.599
  769   HD23  LEU 100          HD22      LEU 100  14.130  10.909  14.948
  770    H    ILE 101           H        ILE 101  10.594   6.784  10.634
  771    HA   ILE 101           HA       ILE 101  12.099   6.155   8.200
  772    HB   ILE 101           HB       ILE 101   9.217   5.798   9.090
  773   HG12  ILE 101          HG12      ILE 101   9.647   3.540   8.208
  774   HG13  ILE 101          HG13      ILE 101  11.278   4.021   7.739
  775   HG21  ILE 101          HG21      ILE 101   8.555   5.157   6.891
  776   HG22  ILE 101          HG22      ILE 101   9.053   6.837   6.814
  777   HG23  ILE 101          HG23      ILE 101  10.141   5.579   6.193
  778   HD11  ILE 101          HD13      ILE 101  11.069   2.695   9.877
  779   HD12  ILE 101          HD11      ILE 101  11.979   4.207  10.020
  780   HD13  ILE 101          HD12      ILE 101  10.302   4.118  10.617
  781    H    GLY 102           H        GLY 102  12.589   7.685   6.740
  782    HA2  GLY 102           HA2      GLY 102  11.386  10.394   6.937
  783    HA3  GLY 102           HA3      GLY 102  12.677   9.899   5.840
  784    H    LEU 103           H        LEU 103  10.004  11.215   5.268
  785    HA   LEU 103           HA       LEU 103   9.529   9.638   2.843
  786    HB2  LEU 103           HB2      LEU 103   7.689   9.015   4.596
  787    HB3  LEU 103           HB3      LEU 103   7.159  10.672   4.426
  788    HG   LEU 103           HG       LEU 103   6.971   8.373   2.416
  789   HD11  LEU 103          HD11      LEU 103   4.971  10.486   3.422
  790   HD12  LEU 103          HD12      LEU 103   4.610   8.949   2.627
  791   HD13  LEU 103          HD13      LEU 103   5.239   8.976   4.278
  792   HD21  LEU 103          HD23      LEU 103   6.673  11.344   1.793
  793   HD22  LEU 103          HD21      LEU 103   7.619  10.078   0.923
  794   HD23  LEU 103          HD22      LEU 103   5.874  10.095   0.871
  795    H    SER 104           H        SER 104   9.318  11.107   1.149
  796    HA   SER 104           HA       SER 104   8.448  13.864   1.627
  797    HB2  SER 104           HB2      SER 104  10.958  13.356   0.007
  798    HB3  SER 104           HB3      SER 104  10.276  14.895   0.586
  799    HG   SER 104           HG       SER 104  10.666  13.487   2.729
  800    H    ALA 105           H        ALA 105   7.369  14.665  -0.260
  801    HA   ALA 105           HA       ALA 105   7.001  12.727  -2.455
  802    HB1  ALA 105           HB3      ALA 105   4.554  12.802  -2.104
  803    HB2  ALA 105           HB1      ALA 105   5.389  12.026  -0.742
  804    HB3  ALA 105           HB2      ALA 105   4.806  13.704  -0.595
  805    H    ALA 106           H        ALA 106   6.413  13.707  -4.354
  806    HA   ALA 106           HA       ALA 106   6.861  16.560  -4.432
  807    HB1  ALA 106           HB3      ALA 106   7.765  15.028  -6.154
  808    HB2  ALA 106           HB1      ALA 106   6.114  14.592  -6.649
  809    HB3  ALA 106           HB2      ALA 106   6.712  16.249  -6.883
  810    H    ASP 107           H        ASP 107   4.036  14.487  -4.367
  811    HA   ASP 107           HA       ASP 107   2.242  16.841  -4.703
  812    HB2  ASP 107           HB2      ASP 107   2.429  15.813  -6.937
  813    HB3  ASP 107           HB3      ASP 107   2.024  14.234  -6.264
  814    H    ALA 108           H        ALA 108   0.101  16.463  -3.798
  815    HA   ALA 108           HA       ALA 108   0.185  15.192  -1.307
  816    HB1  ALA 108           HB3      ALA 108  -2.240  16.038  -2.947
  817    HB2  ALA 108           HB1      ALA 108  -2.225  15.704  -1.203
  818    HB3  ALA 108           HB2      ALA 108  -1.306  17.079  -1.843
  819    H    ASP 109           H        ASP 109  -0.978  13.883  -4.438
  820    HA   ASP 109           HA       ASP 109  -2.191  11.548  -3.120
  821    HB2  ASP 109           HB2      ASP 109  -3.139  12.287  -5.173
  822    HB3  ASP 109           HB3      ASP 109  -1.574  12.149  -6.012
  823    H    SER 110           H        SER 110   0.931  12.366  -4.605
  824    HA   SER 110           HA       SER 110   2.073   9.739  -4.435
  825    HB2  SER 110           HB2      SER 110   3.559  12.394  -4.185
  826    HB3  SER 110           HB3      SER 110   4.192  10.828  -4.689
  827    HG   SER 110           HG       SER 110   3.750  12.103  -6.499
  828    H    HIS 111           H        HIS 111   1.852  12.487  -2.124
  829    HA   HIS 111           HA       HIS 111   3.177  11.283   0.076
  830    HB2  HIS 111           HB2      HIS 111   2.725  13.575   0.293
  831    HB3  HIS 111           HB3      HIS 111   1.075  13.411  -0.245
  832    HD1  HIS 111           HD1      HIS 111   3.119  13.119   2.965
  833    HD2  HIS 111           HD2      HIS 111  -0.825  12.918   1.511
  834    HE1  HIS 111           HE1      HIS 111   1.596  13.088   5.008
  835    H    ILE 112           H        ILE 112  -0.333  11.190  -0.805
  836    HA   ILE 112           HA       ILE 112  -1.158   9.539   1.326
  837    HB   ILE 112           HB       ILE 112  -2.155   9.902  -1.526
  838   HG12  ILE 112          HG12      ILE 112  -2.340  11.814   0.144
  839   HG13  ILE 112          HG13      ILE 112  -3.799  11.337  -0.705
  840   HG21  ILE 112          HG21      ILE 112  -3.479   8.215   0.608
  841   HG22  ILE 112          HG22      ILE 112  -4.301   8.844  -0.845
  842   HG23  ILE 112          HG23      ILE 112  -2.952   7.723  -1.017
  843   HD11  ILE 112          HD13      ILE 112  -4.640  10.222   1.285
  844   HD12  ILE 112          HD11      ILE 112  -3.099  10.513   2.139
  845   HD13  ILE 112          HD12      ILE 112  -4.146  11.876   1.675
  846    H    GLY 113           H        GLY 113  -0.126   8.467  -2.004
  847    HA2  GLY 113           HA2      GLY 113  -0.424   5.713  -1.485
  848    HA3  GLY 113           HA3      GLY 113   0.659   6.424  -2.700
  849    H    ALA 114           H        ALA 114   2.358   7.873  -0.915
  850    HA   ALA 114           HA       ALA 114   4.258   5.840  -0.202
  851    HB1  ALA 114           HB3      ALA 114   4.063   8.831   0.371
  852    HB2  ALA 114           HB1      ALA 114   5.505   7.839   0.629
  853    HB3  ALA 114           HB2      ALA 114   4.884   8.082  -1.005
  854    H    ILE 115           H        ILE 115   2.187   8.066   1.806
  855    HA   ILE 115           HA       ILE 115   2.961   7.189   4.324
  856    HB   ILE 115           HB       ILE 115   0.569   8.335   3.051
  857   HG12  ILE 115          HG12      ILE 115   2.510   9.814   3.509
  858   HG13  ILE 115          HG13      ILE 115   1.004  10.350   4.234
  859   HG21  ILE 115          HG21      ILE 115   0.526   7.510   5.912
  860   HG22  ILE 115          HG22      ILE 115  -0.549   8.768   5.210
  861   HG23  ILE 115          HG23      ILE 115  -0.604   7.122   4.586
  862   HD11  ILE 115          HD13      ILE 115   2.988  10.608   5.729
  863   HD12  ILE 115          HD11      ILE 115   1.712   9.599   6.440
  864   HD13  ILE 115          HD12      ILE 115   3.156   8.841   5.743
  865    H    GLN 116           H        GLN 116   0.434   5.966   2.054
  866    HA   GLN 116           HA       GLN 116  -0.552   3.941   3.831
  867    HB2  GLN 116           HB2      GLN 116  -0.812   4.421   0.834
  868    HB3  GLN 116           HB3      GLN 116  -1.637   3.099   1.657
  869    HG2  GLN 116           HG2      GLN 116  -1.918   6.025   2.416
  870    HG3  GLN 116           HG3      GLN 116  -3.027   5.179   1.344
  871   HE21  GLN 116          HE22      GLN 116  -3.320   6.465   4.154
  872   HE22  GLN 116          HE21      GLN 116  -4.079   5.215   5.104
  873    H    ALA 117           H        ALA 117   2.443   4.027   2.112
  874    HA   ALA 117           HA       ALA 117   2.581   1.116   1.934
  875    HB1  ALA 117           HB3      ALA 117   4.739   3.198   1.376
  876    HB2  ALA 117           HB1      ALA 117   4.757   1.493   0.917
  877    HB3  ALA 117           HB2      ALA 117   3.622   2.606   0.136
  878    H    LEU 118           H        LEU 118   3.857   3.952   3.669
  879    HA   LEU 118           HA       LEU 118   5.490   2.401   5.416
  880    HB2  LEU 118           HB2      LEU 118   4.363   5.230   5.681
  881    HB3  LEU 118           HB3      LEU 118   5.628   4.542   6.724
  882    HG   LEU 118           HG       LEU 118   5.784   4.784   3.695
  883   HD11  LEU 118          HD11      LEU 118   6.936   6.520   5.914
  884   HD12  LEU 118          HD12      LEU 118   7.419   6.629   4.211
  885   HD13  LEU 118          HD13      LEU 118   5.743   6.953   4.688
  886   HD21  LEU 118          HD23      LEU 118   7.356   3.155   4.073
  887   HD22  LEU 118          HD21      LEU 118   8.376   4.498   4.578
  888   HD23  LEU 118          HD22      LEU 118   7.545   3.520   5.793
  889    H    SER 119           H        SER 119   2.125   3.452   5.627
  890    HA   SER 119           HA       SER 119   1.646   2.681   8.294
  891    HB2  SER 119           HB2      SER 119  -0.224   2.455   5.894
  892    HB3  SER 119           HB3      SER 119  -0.707   2.504   7.598
  893    HG   SER 119           HG       SER 119   0.632   4.569   6.141
  894    H    GLU 120           H        GLU 120   2.424   0.577   5.565
  895    HA   GLU 120           HA       GLU 120   1.199  -1.783   6.682
  896    HB2  GLU 120           HB2      GLU 120   3.475  -1.552   4.688
  897    HB3  GLU 120           HB3      GLU 120   2.613  -3.025   5.083
  898    HG2  GLU 120           HG2      GLU 120   1.226  -0.571   3.962
  899    HG3  GLU 120           HG3      GLU 120   1.892  -1.840   2.942
  900    H    LEU 121           H        LEU 121   4.058   0.082   7.245
  901    HA   LEU 121           HA       LEU 121   5.390  -2.118   8.760
  902    HB2  LEU 121           HB2      LEU 121   6.502   0.565   7.825
  903    HB3  LEU 121           HB3      LEU 121   7.391  -0.675   8.693
  904    HG   LEU 121           HG       LEU 121   6.305  -0.800   5.851
  905   HD11  LEU 121          HD11      LEU 121   8.394   0.446   6.159
  906   HD12  LEU 121          HD12      LEU 121   9.122  -0.927   7.020
  907   HD13  LEU 121          HD13      LEU 121   8.720  -1.068   5.301
  908   HD21  LEU 121          HD23      LEU 121   5.997  -3.062   6.820
  909   HD22  LEU 121          HD21      LEU 121   7.275  -3.032   5.605
  910   HD23  LEU 121          HD22      LEU 121   7.706  -3.076   7.319
  911    H    LEU 122           H        LEU 122   5.040   1.463   9.171
  912    HA   LEU 122           HA       LEU 122   5.596   1.288  11.948
  913    HB2  LEU 122           HB2      LEU 122   4.279   3.598  10.514
  914    HB3  LEU 122           HB3      LEU 122   5.272   3.643  11.979
  915    HG   LEU 122           HG       LEU 122   6.170   3.081   9.136
  916   HD11  LEU 122          HD11      LEU 122   7.268   5.197  10.988
  917   HD12  LEU 122          HD12      LEU 122   7.211   5.119   9.203
  918   HD13  LEU 122          HD13      LEU 122   5.745   5.450  10.118
  919   HD21  LEU 122          HD23      LEU 122   7.458   1.552  10.628
  920   HD22  LEU 122          HD21      LEU 122   8.452   2.821   9.958
  921   HD23  LEU 122          HD22      LEU 122   7.908   2.935  11.642
  922    H    CYS 123           H        CYS 123   2.700   0.290  10.651
  923    HA   CYS 123           HA       CYS 123   1.298   0.916  13.202
  924    HB2  CYS 123           HB2      CYS 123  -0.012   0.532  10.483
  925    HB3  CYS 123           HB3      CYS 123  -0.829   0.920  11.992
  926    HG   CYS 123           HG       CYS 123   1.486   2.738  10.476
  927    H    GLU 124           H        GLU 124   3.084  -1.290  12.494
  928    HA   GLU 124           HA       GLU 124   1.250  -3.569  12.841
  929    HB2  GLU 124           HB2      GLU 124   1.857  -3.131  10.391
  930    HB3  GLU 124           HB3      GLU 124   3.526  -3.504  10.820
  931    HG2  GLU 124           HG2      GLU 124   2.512  -5.430   9.870
  932    HG3  GLU 124           HG3      GLU 124   2.794  -5.751  11.589
  933    H    GLU 125           H        GLU 125   1.747  -3.900  14.915
  934    HA   GLU 125           HA       GLU 125   4.143  -3.311  16.151
  935    HB2  GLU 125           HB2      GLU 125   3.334  -4.576  18.044
  936    HB3  GLU 125           HB3      GLU 125   2.032  -3.639  17.313
  937    HG2  GLU 125           HG2      GLU 125   1.224  -5.718  16.156
  938    HG3  GLU 125           HG3      GLU 125   2.496  -6.638  16.960
  939    H    GLU 126           H        GLU 126   3.411  -6.142  14.254
  940    HA   GLU 126           HA       GLU 126   5.458  -7.870  15.240
  941    HB2  GLU 126           HB2      GLU 126   4.281  -7.721  12.428
  942    HB3  GLU 126           HB3      GLU 126   5.221  -9.062  13.102
  943    HG2  GLU 126           HG2      GLU 126   3.444  -9.285  14.892
  944    HG3  GLU 126           HG3      GLU 126   2.488  -8.088  14.005
  945    H    ILE 127           H        ILE 127   5.341  -5.394  12.706
  946    HA   ILE 127           HA       ILE 127   8.074  -5.737  11.820
  947    HB   ILE 127           HB       ILE 127   5.806  -3.909  11.216
  948   HG12  ILE 127          HG12      ILE 127   6.146  -4.651   8.929
  949   HG13  ILE 127          HG13      ILE 127   7.580  -5.578   9.402
  950   HG21  ILE 127          HG21      ILE 127   7.385  -2.804   9.512
  951   HG22  ILE 127          HG22      ILE 127   7.472  -2.289  11.190
  952   HG23  ILE 127          HG23      ILE 127   8.697  -3.410  10.532
  953   HD11  ILE 127          HD13      ILE 127   5.542  -6.944   8.968
  954   HD12  ILE 127          HD11      ILE 127   6.195  -7.174  10.595
  955   HD13  ILE 127          HD12      ILE 127   4.756  -6.150  10.347
  956    H    LEU 128           H        LEU 128   6.311  -3.378  13.961
  957    HA   LEU 128           HA       LEU 128   8.394  -1.630  14.400
  958    HB2  LEU 128           HB2      LEU 128   6.191  -2.553  16.258
  959    HB3  LEU 128           HB3      LEU 128   7.485  -1.530  16.853
  960    HG   LEU 128           HG       LEU 128   7.025   0.049  14.917
  961   HD11  LEU 128          HD11      LEU 128   4.374  -1.414  14.831
  962   HD12  LEU 128          HD12      LEU 128   4.743   0.131  14.054
  963   HD13  LEU 128          HD13      LEU 128   5.581  -1.325  13.521
  964   HD21  LEU 128          HD23      LEU 128   5.218   1.193  16.165
  965   HD22  LEU 128          HD21      LEU 128   4.889  -0.300  17.072
  966   HD23  LEU 128          HD22      LEU 128   6.437   0.547  17.273
  967    H    GLU 129           H        GLU 129   8.053  -4.780  16.014
  968    HA   GLU 129           HA       GLU 129  10.316  -4.312  17.703
  969    HB2  GLU 129           HB2      GLU 129   8.553  -6.675  17.080
  970    HB3  GLU 129           HB3      GLU 129  10.156  -6.993  17.762
  971    HG2  GLU 129           HG2      GLU 129   9.730  -5.470  19.632
  972    HG3  GLU 129           HG3      GLU 129   8.114  -5.113  19.005
  973    H    GLN 130           H        GLN 130   9.900  -5.660  14.399
  974    HA   GLN 130           HA       GLN 130  12.485  -6.916  14.306
  975    HB2  GLN 130           HB2      GLN 130  10.529  -5.954  12.183
  976    HB3  GLN 130           HB3      GLN 130  12.048  -6.779  11.808
  977    HG2  GLN 130           HG2      GLN 130  11.352  -8.807  12.822
  978    HG3  GLN 130           HG3      GLN 130   9.969  -8.048  13.596
  979   HE21  GLN 130          HE22      GLN 130   8.047  -8.372  12.595
  980   HE22  GLN 130          HE21      GLN 130   7.833  -8.798  10.900
  981    H    LEU 131           H        LEU 131  11.137  -3.686  13.482
  982    HA   LEU 131           HA       LEU 131  13.583  -2.594  12.405
  983    HB2  LEU 131           HB2      LEU 131  11.221  -1.243  13.778
  984    HB3  LEU 131           HB3      LEU 131  12.520  -0.401  12.951
  985    HG   LEU 131           HG       LEU 131  10.946  -2.488  11.407
  986   HD11  LEU 131          HD11      LEU 131   9.204  -1.423  12.495
  987   HD12  LEU 131          HD12      LEU 131   9.827   0.183  12.234
  988   HD13  LEU 131          HD13      LEU 131   9.244  -0.756  10.844
  989   HD21  LEU 131          HD23      LEU 131  12.138   0.204  10.654
  990   HD22  LEU 131          HD21      LEU 131  12.836  -1.394  10.317
  991   HD23  LEU 131          HD22      LEU 131  11.316  -0.920   9.546
  992    H    LEU 132           H        LEU 132  11.934  -2.272  15.561
  993    HA   LEU 132           HA       LEU 132  13.959  -0.743  16.794
  994    HB2  LEU 132           HB2      LEU 132  11.830  -2.553  17.964
  995    HB3  LEU 132           HB3      LEU 132  12.874  -1.576  18.982
  996    HG   LEU 132           HG       LEU 132  11.179  -0.331  16.781
  997   HD11  LEU 132          HD11      LEU 132   9.538   0.220  18.515
  998   HD12  LEU 132          HD12      LEU 132   9.740  -1.538  18.398
  999   HD13  LEU 132          HD13      LEU 132  10.499  -0.649  19.737
 1000   HD21  LEU 132          HD23      LEU 132  11.473   1.734  18.092
 1001   HD22  LEU 132          HD21      LEU 132  12.519   0.870  19.238
 1002   HD23  LEU 132          HD22      LEU 132  13.022   1.096  17.546
 1003    H    THR 133           H        THR 133  14.140  -4.144  16.112
 1004    HA   THR 133           HA       THR 133  16.469  -4.365  17.938
 1005    HB   THR 133           HB       THR 133  16.053  -6.770  17.971
 1006    HG1  THR 133           HG1      THR 133  13.601  -6.200  16.678
 1007   HG21  THR 133          HG23      THR 133  14.087  -6.807  19.401
 1008   HG22  THR 133          HG21      THR 133  15.027  -5.345  19.735
 1009   HG23  THR 133          HG22      THR 133  13.529  -5.243  18.784
 1010    H    ALA 134           H        ALA 134  15.932  -3.612  14.815
 1011    HA   ALA 134           HA       ALA 134  17.501  -5.419  13.312
 1012    HB1  ALA 134           HB3      ALA 134  17.727  -3.488  11.737
 1013    HB2  ALA 134           HB1      ALA 134  16.050  -3.818  12.226
 1014    HB3  ALA 134           HB2      ALA 134  16.945  -2.461  12.937
 1015    H    SER 135           H        SER 135  19.550  -5.951  13.624
 1016    HA   SER 135           HA       SER 135  21.340  -4.249  15.211
 1017    HB2  SER 135           HB2      SER 135  21.659  -7.032  14.010
 1018    HB3  SER 135           HB3      SER 135  22.784  -6.259  15.144
 1019    HG   SER 135           HG       SER 135  20.022  -6.679  15.700
 1020    H    SER 136           H        SER 136  20.591  -4.389  11.890
 1021    HA   SER 136           HA       SER 136  23.047  -2.945  11.235
 1022    HB2  SER 136           HB2      SER 136  23.573  -4.407   9.315
 1023    HB3  SER 136           HB3      SER 136  23.713  -5.280  10.846
 1024    HG   SER 136           HG       SER 136  22.592  -6.578   9.468
 1025    H    GLU 137           H        GLU 137  22.895  -1.905   9.129
 1026    HA   GLU 137           HA       GLU 137  20.371  -0.869   8.366
 1027    HB2  GLU 137           HB2      GLU 137  22.963  -1.200   6.768
 1028    HB3  GLU 137           HB3      GLU 137  21.573  -0.223   6.294
 1029    HG2  GLU 137           HG2      GLU 137  22.979   1.333   7.086
 1030    HG3  GLU 137           HG3      GLU 137  21.827   1.073   8.389
 1031    H    LYS 138           H        LYS 138  22.188  -3.760   7.276
 1032    HA   LYS 138           HA       LYS 138  20.476  -4.454   5.143
 1033    HB2  LYS 138           HB2      LYS 138  22.678  -5.502   5.487
 1034    HB3  LYS 138           HB3      LYS 138  22.117  -6.243   6.984
 1035    HG2  LYS 138           HG2      LYS 138  22.184  -7.871   5.188
 1036    HG3  LYS 138           HG3      LYS 138  20.526  -7.649   5.742
 1037    HD2  LYS 138           HD2      LYS 138  20.046  -6.203   3.786
 1038    HD3  LYS 138           HD3      LYS 138  21.716  -6.364   3.231
 1039    HE2  LYS 138           HE2      LYS 138  19.734  -8.666   3.582
 1040    HE3  LYS 138           HE3      LYS 138  20.038  -7.832   2.057
 1041    HZ1  LYS 138           HZ3      LYS 138  21.319  -9.851   2.192
 1042    HZ2  LYS 138           HZ1      LYS 138  22.341  -8.586   2.162
 1043    HZ3  LYS 138           HZ2      LYS 138  22.061  -9.386   3.564
 1044    H    GLN 139           H        GLN 139  20.275  -5.412   8.628
 1045    HA   GLN 139           HA       GLN 139  17.895  -6.820   8.299
 1046    HB2  GLN 139           HB2      GLN 139  19.675  -6.488  10.324
 1047    HB3  GLN 139           HB3      GLN 139  18.390  -5.423  10.908
 1048    HG2  GLN 139           HG2      GLN 139  16.773  -7.312  10.512
 1049    HG3  GLN 139           HG3      GLN 139  18.161  -8.301  10.006
 1050   HE21  GLN 139          HE22      GLN 139  16.440  -9.135  12.122
 1051   HE22  GLN 139          HE21      GLN 139  17.333  -9.065  13.620
 1052    H    LEU 140           H        LEU 140  18.335  -3.260   8.466
 1053    HA   LEU 140           HA       LEU 140  15.505  -2.802   9.021
 1054    HB2  LEU 140           HB2      LEU 140  17.760  -1.057   7.994
 1055    HB3  LEU 140           HB3      LEU 140  16.099  -0.515   8.102
 1056    HG   LEU 140           HG       LEU 140  17.581  -1.484  10.515
 1057   HD11  LEU 140          HD11      LEU 140  18.683   0.505   9.481
 1058   HD12  LEU 140          HD12      LEU 140  17.139   1.377   9.548
 1059   HD13  LEU 140          HD13      LEU 140  17.949   0.871  11.037
 1060   HD21  LEU 140          HD23      LEU 140  15.169  -1.575  10.816
 1061   HD22  LEU 140          HD21      LEU 140  15.834  -0.239  11.749
 1062   HD23  LEU 140          HD22      LEU 140  14.999   0.097  10.219
 1063    H    ALA 141           H        ALA 141  17.625  -2.730   6.075
 1064    HA   ALA 141           HA       ALA 141  15.536  -2.342   4.223
 1065    HB1  ALA 141           HB3      ALA 141  18.076  -3.892   3.680
 1066    HB2  ALA 141           HB1      ALA 141  17.074  -2.936   2.547
 1067    HB3  ALA 141           HB2      ALA 141  18.008  -2.120   3.818
 1068    H    ASP 142           H        ASP 142  16.618  -5.380   5.733
 1069    HA   ASP 142           HA       ASP 142  15.221  -7.206   4.109
 1070    HB2  ASP 142           HB2      ASP 142  16.680  -8.081   5.750
 1071    HB3  ASP 142           HB3      ASP 142  15.953  -7.120   7.034
 1072    H    ILE 143           H        ILE 143  13.988  -5.068   6.739
 1073    HA   ILE 143           HA       ILE 143  11.352  -6.185   6.705
 1074    HB   ILE 143           HB       ILE 143  12.572  -3.654   7.859
 1075   HG12  ILE 143          HG12      ILE 143  11.749  -6.192   9.338
 1076   HG13  ILE 143          HG13      ILE 143  13.371  -6.000   8.691
 1077   HG21  ILE 143          HG21      ILE 143   9.858  -4.870   8.397
 1078   HG22  ILE 143          HG22      ILE 143  10.605  -3.519   9.292
 1079   HG23  ILE 143          HG23      ILE 143  10.205  -3.319   7.588
 1080   HD11  ILE 143          HD13      ILE 143  12.084  -4.380  10.864
 1081   HD12  ILE 143          HD11      ILE 143  13.589  -5.328  10.895
 1082   HD13  ILE 143          HD12      ILE 143  13.538  -3.807   9.998
 1083    H    ILE 144           H        ILE 144  12.986  -3.442   5.095
 1084    HA   ILE 144           HA       ILE 144  10.704  -2.357   3.747
 1085    HB   ILE 144           HB       ILE 144  13.568  -2.635   2.704
 1086   HG12  ILE 144          HG12      ILE 144  13.640  -1.327   4.681
 1087   HG13  ILE 144          HG13      ILE 144  13.794  -0.242   3.299
 1088   HG21  ILE 144          HG21      ILE 144  13.051  -0.787   1.162
 1089   HG22  ILE 144          HG22      ILE 144  12.164  -2.265   0.801
 1090   HG23  ILE 144          HG23      ILE 144  11.337  -0.918   1.595
 1091   HD11  ILE 144          HD13      ILE 144  11.459  -0.645   5.162
 1092   HD12  ILE 144          HD11      ILE 144  12.295   0.868   4.727
 1093   HD13  ILE 144          HD12      ILE 144  11.218   0.073   3.557
 1094    H    SER 145           H        SER 145  12.913  -5.010   2.893
 1095    HA   SER 145           HA       SER 145  11.704  -5.438   0.408
 1096    HB2  SER 145           HB2      SER 145  13.314  -7.431   2.085
 1097    HB3  SER 145           HB3      SER 145  13.073  -7.498   0.332
 1098    HG   SER 145           HG       SER 145  14.478  -5.516   1.834
 1099    H    ARG 146           H        ARG 146  10.782  -6.653   3.631
 1100    HA   ARG 146           HA       ARG 146   9.055  -8.727   2.748
 1101    HB2  ARG 146           HB2      ARG 146  10.276  -8.961   4.714
 1102    HB3  ARG 146           HB3      ARG 146   9.990  -7.312   5.265
 1103    HG2  ARG 146           HG2      ARG 146   7.771  -7.711   5.792
 1104    HG3  ARG 146           HG3      ARG 146   7.816  -9.373   5.140
 1105    HD2  ARG 146           HD2      ARG 146   9.191  -8.284   7.633
 1106    HD3  ARG 146           HD3      ARG 146   7.937  -9.522   7.570
 1107    HE   ARG 146           HE       ARG 146   9.533 -11.018   6.442
 1108   HH11  ARG 146          HH11      ARG 146  10.963  -8.658   8.658
 1109   HH12  ARG 146          HH12      ARG 146  12.589  -8.873   8.027
 1110   HH21  ARG 146          HH21      ARG 146  11.740 -11.429   5.795
 1111   HH22  ARG 146          HH22      ARG 146  13.018 -10.429   6.414
 1112    H    GLY 147           H        GLY 147   8.811  -5.252   2.888
 1113    HA2  GLY 147           HA2      GLY 147   5.913  -5.144   3.338
 1114    HA3  GLY 147           HA3      GLY 147   7.014  -3.817   2.926
  Start of MODEL   10
    1    H    MET   1           H1       MET   1   1.704   0.018   0.138
    2    HA   MET   1           HA       MET   1   1.944  -0.765  -2.695
    3    HB2  MET   1           HB2      MET   1   1.593   1.840  -1.656
    4    HB3  MET   1           HB3      MET   1   3.348   1.671  -1.832
    5    HG2  MET   1           HG2      MET   1   2.332   2.641  -3.825
    6    HG3  MET   1           HG3      MET   1   3.120   1.109  -4.183
    7    HE1  MET   1           HE3      MET   1   1.925   1.081  -6.544
    8    HE2  MET   1           HE1      MET   1   0.172   1.266  -6.770
    9    HE3  MET   1           HE2      MET   1   1.136   2.626  -6.155
   10    H    ARG   2           H        ARG   2   4.055  -0.858  -3.596
   11    HA   ARG   2           HA       ARG   2   5.766  -2.409  -1.928
   12    HB2  ARG   2           HB2      ARG   2   6.240  -1.157  -4.656
   13    HB3  ARG   2           HB3      ARG   2   7.367  -2.261  -3.860
   14    HG2  ARG   2           HG2      ARG   2   4.508  -2.905  -4.616
   15    HG3  ARG   2           HG3      ARG   2   5.965  -3.407  -5.504
   16    HD2  ARG   2           HD2      ARG   2   6.648  -4.632  -3.349
   17    HD3  ARG   2           HD3      ARG   2   4.996  -4.291  -2.774
   18    HE   ARG   2           HE       ARG   2   4.949  -5.496  -5.375
   19   HH11  ARG   2          HH11      ARG   2   5.385  -6.310  -1.932
   20   HH12  ARG   2          HH12      ARG   2   4.941  -7.975  -2.145
   21   HH21  ARG   2          HH21      ARG   2   4.327  -7.691  -5.631
   22   HH22  ARG   2          HH22      ARG   2   4.308  -8.762  -4.284
   23    H    LEU   3           H        LEU   3   7.024  -1.712  -0.448
   24    HA   LEU   3           HA       LEU   3   7.765   1.036   0.078
   25    HB2  LEU   3           HB2      LEU   3   8.949  -1.633   0.955
   26    HB3  LEU   3           HB3      LEU   3   9.728  -0.117   1.367
   27    HG   LEU   3           HG       LEU   3   8.284  -1.078   3.166
   28   HD11  LEU   3          HD11      LEU   3   7.273   1.067   3.793
   29   HD12  LEU   3          HD12      LEU   3   8.881   1.319   3.097
   30   HD13  LEU   3          HD13      LEU   3   7.434   1.675   2.130
   31   HD21  LEU   3          HD23      LEU   3   5.870  -0.144   1.601
   32   HD22  LEU   3          HD21      LEU   3   6.430  -1.801   1.565
   33   HD23  LEU   3          HD22      LEU   3   5.953  -1.081   3.109
   34    H    SER   4           H        SER   4   9.313  -1.614  -1.679
   35    HA   SER   4           HA       SER   4  11.841  -0.497  -2.004
   36    HB2  SER   4           HB2      SER   4  11.896  -2.223  -3.916
   37    HB3  SER   4           HB3      SER   4  11.561  -2.805  -2.267
   38    HG   SER   4           HG       SER   4  10.127  -3.676  -3.835
   39    H    ASP   5           H        ASP   5   8.844   0.526  -3.455
   40    HA   ASP   5           HA       ASP   5  10.112   1.743  -5.757
   41    HB2  ASP   5           HB2      ASP   5   7.760   0.840  -5.822
   42    HB3  ASP   5           HB3      ASP   5   7.280   2.070  -4.652
   43    H    TYR   6           H        TYR   6   9.346   2.685  -2.474
   44    HA   TYR   6           HA       TYR   6   9.513   5.566  -3.166
   45    HB2  TYR   6           HB2      TYR   6   8.733   4.112  -0.606
   46    HB3  TYR   6           HB3      TYR   6   8.853   5.865  -0.773
   47    HD1  TYR   6           HD2      TYR   6   7.317   7.150  -2.172
   48    HD2  TYR   6           HD1      TYR   6   6.841   2.901  -1.601
   49    HE1  TYR   6           HE2      TYR   6   5.164   7.235  -3.413
   50    HE2  TYR   6           HE1      TYR   6   4.726   2.972  -2.891
   51    HH   TYR   6           HH       TYR   6   3.409   5.995  -4.314
   52    H    PHE   7           H        PHE   7  11.287   3.043  -1.412
   53    HA   PHE   7           HA       PHE   7  13.009   5.173  -0.265
   54    HB2  PHE   7           HB2      PHE   7  13.494   3.914   1.464
   55    HB3  PHE   7           HB3      PHE   7  11.983   3.133   1.066
   56    HD1  PHE   7           HD2      PHE   7  12.457   1.180  -0.896
   57    HD2  PHE   7           HD1      PHE   7  14.952   2.313   2.416
   58    HE1  PHE   7           HE2      PHE   7  13.972  -0.745  -1.415
   59    HE2  PHE   7           HE1      PHE   7  16.570   0.470   1.755
   60    HZ   PHE   7           HZ       PHE   7  16.065  -1.036  -0.114
   61    HA   PRO   8           HA       PRO   8  15.443   4.617  -3.876
   62    HB2  PRO   8           HB2      PRO   8  17.707   6.106  -3.311
   63    HB3  PRO   8           HB3      PRO   8  16.121   6.751  -3.791
   64    HG2  PRO   8           HG2      PRO   8  17.246   6.491  -0.995
   65    HG3  PRO   8           HG3      PRO   8  16.358   7.874  -1.716
   66    HD2  PRO   8           HD2      PRO   8  15.139   6.044  -0.124
   67    HD3  PRO   8           HD3      PRO   8  14.289   6.764  -1.516
   68    H    GLU   9           H        GLU   9  17.977   4.578  -1.368
   69    HA   GLU   9           HA       GLU   9  18.635   1.814  -1.584
   70    HB2  GLU   9           HB2      GLU   9  19.450   2.423  -3.817
   71    HB3  GLU   9           HB3      GLU   9  20.259   3.849  -3.169
   72    HG2  GLU   9           HG2      GLU   9  21.912   2.472  -2.039
   73    HG3  GLU   9           HG3      GLU   9  21.012   0.995  -2.407
   74    H    SER  10           H        SER  10  20.501   4.836  -1.295
   75    HA   SER  10           HA       SER  10  21.817   4.144   1.111
   76    HB2  SER  10           HB2      SER  10  21.316   7.000   0.243
   77    HB3  SER  10           HB3      SER  10  22.797   6.292   0.900
   78    HG   SER  10           HG       SER  10  23.129   5.273  -1.097
   79    H    SER  11           H        SER  11  18.721   4.155   1.091
   80    HA   SER  11           HA       SER  11  17.750   6.429   2.539
   81    HB2  SER  11           HB2      SER  11  16.066   4.092   2.646
   82    HB3  SER  11           HB3      SER  11  15.826   5.591   1.760
   83    HG   SER  11           HG       SER  11  16.044   3.431   0.572
   84    H    ILE  12           H        ILE  12  19.235   3.390   3.447
   85    HA   ILE  12           HA       ILE  12  17.865   3.257   6.011
   86    HB   ILE  12           HB       ILE  12  19.901   1.440   4.668
   87   HG12  ILE  12          HG12      ILE  12  17.976   1.632   3.126
   88   HG13  ILE  12          HG13      ILE  12  18.264   0.045   3.752
   89   HG21  ILE  12          HG21      ILE  12  17.836   1.064   6.890
   90   HG22  ILE  12          HG22      ILE  12  18.789  -0.267   6.174
   91   HG23  ILE  12          HG23      ILE  12  19.569   1.038   7.077
   92   HD11  ILE  12          HD13      ILE  12  15.909   0.332   3.771
   93   HD12  ILE  12          HD11      ILE  12  16.379   0.419   5.436
   94   HD13  ILE  12          HD12      ILE  12  16.038   1.927   4.525
   95    H    SER  13           H        SER  13  19.021   3.700   7.959
   96    HA   SER  13           HA       SER  13  21.907   3.307   8.036
   97    HB2  SER  13           HB2      SER  13  20.686   6.086   8.494
   98    HB3  SER  13           HB3      SER  13  22.310   5.623   9.025
   99    HG   SER  13           HG       SER  13  21.732   5.075   6.384
  100    H    VAL  14           H        VAL  14  22.381   2.423   9.913
  101    HA   VAL  14           HA       VAL  14  20.594   2.826  12.236
  102    HB   VAL  14           HB       VAL  14  20.985   0.536  11.511
  103   HG11  VAL  14          HG11      VAL  14  23.933   0.990  12.075
  104   HG12  VAL  14          HG12      VAL  14  23.161  -0.581  11.825
  105   HG13  VAL  14          HG13      VAL  14  23.170   0.598  10.514
  106   HG21  VAL  14          HG23      VAL  14  20.608   1.081  13.920
  107   HG22  VAL  14          HG21      VAL  14  21.538  -0.407  13.684
  108   HG23  VAL  14          HG22      VAL  14  22.365   1.088  14.174
  109    H    ILE  15           H        ILE  15  21.473   3.782  14.064
  110    HA   ILE  15           HA       ILE  15  24.119   5.134  13.860
  111    HB   ILE  15           HB       ILE  15  21.384   6.340  14.507
  112   HG12  ILE  15          HG12      ILE  15  23.068   6.642  11.994
  113   HG13  ILE  15          HG13      ILE  15  21.418   6.012  12.130
  114   HG21  ILE  15          HG21      ILE  15  22.472   8.449  14.746
  115   HG22  ILE  15          HG22      ILE  15  23.378   7.322  15.694
  116   HG23  ILE  15          HG23      ILE  15  24.023   7.806  14.124
  117   HD11  ILE  15          HD13      ILE  15  20.723   8.297  13.010
  118   HD12  ILE  15          HD11      ILE  15  22.326   8.882  12.541
  119   HD13  ILE  15          HD12      ILE  15  21.229   8.241  11.299
  120    H    HIS  16           H        HIS  16  25.062   5.497  15.950
  121    HA   HIS  16           HA       HIS  16  24.142   3.895  18.162
  122    HB2  HIS  16           HB2      HIS  16  26.027   6.283  18.065
  123    HB3  HIS  16           HB3      HIS  16  25.847   5.179  19.431
  124    HD1  HIS  16           HD1      HIS  16  26.037   2.375  17.860
  125    HD2  HIS  16           HD2      HIS  16  28.457   5.787  17.265
  126    HE1  HIS  16           HE1      HIS  16  28.202   1.553  16.809
  127    H    SER  17           H        SER  17  23.895   7.408  17.362
  128    HA   SER  17           HA       SER  17  21.436   7.828  18.693
  129    HB2  SER  17           HB2      SER  17  22.896   9.709  20.142
  130    HB3  SER  17           HB3      SER  17  22.122   8.278  20.785
  131    HG   SER  17           HG       SER  17  24.835   8.529  19.974
  132    H    ALA  18           H        ALA  18  20.769  10.062  18.083
  133    HA   ALA  18           HA       ALA  18  22.281  11.157  15.812
  134    HB1  ALA  18           HB3      ALA  18  19.839  11.274  15.739
  135    HB2  ALA  18           HB1      ALA  18  19.811  12.172  17.286
  136    HB3  ALA  18           HB2      ALA  18  20.517  12.898  15.831
  137    H    LYS  19           H        LYS  19  23.276  13.224  15.869
  138    HA   LYS  19           HA       LYS  19  24.768  13.978  18.145
  139    HB2  LYS  19           HB2      LYS  19  25.303  14.530  15.825
  140    HB3  LYS  19           HB3      LYS  19  23.903  15.562  15.705
  141    HG2  LYS  19           HG2      LYS  19  25.961  16.125  17.855
  142    HG3  LYS  19           HG3      LYS  19  26.346  16.539  16.189
  143    HD2  LYS  19           HD2      LYS  19  23.833  17.535  17.584
  144    HD3  LYS  19           HD3      LYS  19  25.362  18.415  17.581
  145    HE2  LYS  19           HE2      LYS  19  25.344  18.681  15.196
  146    HE3  LYS  19           HE3      LYS  19  24.023  17.528  14.998
  147    HZ1  LYS  19           HZ3      LYS  19  23.267  19.820  14.828
  148    HZ2  LYS  19           HZ1      LYS  19  22.530  19.045  16.070
  149    HZ3  LYS  19           HZ2      LYS  19  23.735  20.136  16.360
  150    H    ASP  20           H        ASP  20  21.619  15.148  16.980
  151    HA   ASP  20           HA       ASP  20  20.573  15.514  19.596
  152    HB2  ASP  20           HB2      ASP  20  20.141  17.745  19.726
  153    HB3  ASP  20           HB3      ASP  20  21.849  17.754  19.270
  154    H    TRP  21           H        TRP  21  18.345  16.548  19.280
  155    HA   TRP  21           HA       TRP  21  16.798  15.062  17.554
  156    HB2  TRP  21           HB2      TRP  21  15.191  17.160  18.222
  157    HB3  TRP  21           HB3      TRP  21  15.536  15.776  19.250
  158    HD1  TRP  21           HD1      TRP  21  16.544  19.403  18.757
  159    HE1  TRP  21           HE1      TRP  21  17.602  20.364  20.873
  160    HE3  TRP  21           HE3      TRP  21  17.047  15.073  21.349
  161    HZ2  TRP  21           HZ2      TRP  21  18.666  19.323  23.373
  162    HZ3  TRP  21           HZ3      TRP  21  18.220  15.042  23.543
  163    HH2  TRP  21           HH2      TRP  21  19.014  17.161  24.567
  164    H    GLN  22           H        GLN  22  18.217  18.338  16.906
  165    HA   GLN  22           HA       GLN  22  16.742  18.781  14.444
  166    HB2  GLN  22           HB2      GLN  22  19.488  19.739  15.302
  167    HB3  GLN  22           HB3      GLN  22  18.635  20.268  13.863
  168    HG2  GLN  22           HG2      GLN  22  16.912  21.333  15.088
  169    HG3  GLN  22           HG3      GLN  22  17.347  20.538  16.602
  170   HE21  GLN  22          HE22      GLN  22  19.585  20.968  17.444
  171   HE22  GLN  22          HE21      GLN  22  20.177  22.632  17.337
  172    H    GLU  23           H        GLU  23  19.984  17.321  15.211
  173    HA   GLU  23           HA       GLU  23  20.574  16.514  12.573
  174    HB2  GLU  23           HB2      GLU  23  22.039  16.507  14.762
  175    HB3  GLU  23           HB3      GLU  23  21.345  14.895  15.001
  176    HG2  GLU  23           HG2      GLU  23  23.298  14.378  13.863
  177    HG3  GLU  23           HG3      GLU  23  22.169  14.438  12.539
  178    H    ALA  24           H        ALA  24  18.580  14.954  15.049
  179    HA   ALA  24           HA       ALA  24  18.453  12.389  13.837
  180    HB1  ALA  24           HB3      ALA  24  17.867  13.076  16.181
  181    HB2  ALA  24           HB1      ALA  24  16.328  13.715  15.572
  182    HB3  ALA  24           HB2      ALA  24  16.687  11.979  15.416
  183    H    ILE  25           H        ILE  25  16.519  15.354  13.325
  184    HA   ILE  25           HA       ILE  25  14.727  14.183  11.362
  185    HB   ILE  25           HB       ILE  25  15.674  17.056  11.578
  186   HG12  ILE  25          HG12      ILE  25  14.199  15.684  13.581
  187   HG13  ILE  25          HG13      ILE  25  14.618  17.386  13.473
  188   HG21  ILE  25          HG21      ILE  25  13.630  17.612  10.364
  189   HG22  ILE  25          HG22      ILE  25  14.608  16.506   9.447
  190   HG23  ILE  25          HG23      ILE  25  13.181  15.890  10.288
  191   HD11  ILE  25          HD13      ILE  25  12.251  17.070  13.871
  192   HD12  ILE  25          HD11      ILE  25  12.497  17.819  12.285
  193   HD13  ILE  25          HD12      ILE  25  12.098  16.079  12.407
  194    H    ASP  26           H        ASP  26  17.862  15.938  11.298
  195    HA   ASP  26           HA       ASP  26  18.125  16.169   8.518
  196    HB2  ASP  26           HB2      ASP  26  19.559  17.129  10.495
  197    HB3  ASP  26           HB3      ASP  26  20.539  15.681  10.279
  198    H    PHE  27           H        PHE  27  19.293  13.529  10.655
  199    HA   PHE  27           HA       PHE  27  20.209  11.807   8.592
  200    HB2  PHE  27           HB2      PHE  27  19.439  11.470  11.500
  201    HB3  PHE  27           HB3      PHE  27  19.701  10.058  10.498
  202    HD1  PHE  27           HD1      PHE  27  21.874  10.112   8.971
  203    HD2  PHE  27           HD2      PHE  27  21.452  12.249  12.724
  204    HE1  PHE  27           HE1      PHE  27  24.331  10.123   9.259
  205    HE2  PHE  27           HE2      PHE  27  23.895  12.214  12.992
  206    HZ   PHE  27           HZ       PHE  27  25.348  11.170  11.274
  207    H    SER  28           H        SER  28  16.903  12.272   9.983
  208    HA   SER  28           HA       SER  28  15.746   9.997   8.676
  209    HB2  SER  28           HB2      SER  28  14.364  12.620   9.464
  210    HB3  SER  28           HB3      SER  28  13.579  11.115   9.056
  211    HG   SER  28           HG       SER  28  15.372  11.555  11.237
  212    H    MET  29           H        MET  29  16.810  13.094   7.422
  213    HA   MET  29           HA       MET  29  15.202  12.652   4.938
  214    HB2  MET  29           HB2      MET  29  16.310  15.210   6.078
  215    HB3  MET  29           HB3      MET  29  15.180  15.009   4.721
  216    HG2  MET  29           HG2      MET  29  14.278  14.201   7.459
  217    HG3  MET  29           HG3      MET  29  14.402  15.896   7.032
  218    HE1  MET  29           HE3      MET  29  12.332  12.916   7.081
  219    HE2  MET  29           HE1      MET  29  11.380  12.905   5.572
  220    HE3  MET  29           HE2      MET  29  13.146  12.590   5.522
  221    H    VAL  30           H        VAL  30  18.577  13.045   6.021
  222    HA   VAL  30           HA       VAL  30  19.544  14.356   3.794
  223    HB   VAL  30           HB       VAL  30  20.821  14.001   5.847
  224   HG11  VAL  30          HG11      VAL  30  20.320  11.577   6.237
  225   HG12  VAL  30          HG12      VAL  30  21.377  11.163   4.871
  226   HG13  VAL  30          HG13      VAL  30  22.047  11.952   6.313
  227   HG21  VAL  30          HG23      VAL  30  22.312  12.996   3.386
  228   HG22  VAL  30          HG21      VAL  30  21.951  14.691   3.754
  229   HG23  VAL  30          HG22      VAL  30  23.019  13.766   4.826
  230    H    SER  31           H        SER  31  18.973  10.796   4.047
  231    HA   SER  31           HA       SER  31  20.249  10.187   1.614
  232    HB2  SER  31           HB2      SER  31  17.893   8.793   2.935
  233    HB3  SER  31           HB3      SER  31  19.035   8.083   1.772
  234    HG   SER  31           HG       SER  31  20.133   7.592   3.465
  235    H    LEU  32           H        LEU  32  17.197  11.759   2.202
  236    HA   LEU  32           HA       LEU  32  16.192  11.343  -0.541
  237    HB2  LEU  32           HB2      LEU  32  15.155  12.898   1.876
  238    HB3  LEU  32           HB3      LEU  32  14.370  12.946   0.328
  239    HG   LEU  32           HG       LEU  32  14.837  10.393   1.917
  240   HD11  LEU  32          HD11      LEU  32  13.302  11.917   3.096
  241   HD12  LEU  32          HD12      LEU  32  12.295  12.028   1.637
  242   HD13  LEU  32          HD13      LEU  32  12.462  10.480   2.488
  243   HD21  LEU  32          HD23      LEU  32  13.125  10.938  -0.551
  244   HD22  LEU  32          HD21      LEU  32  14.586   9.913  -0.484
  245   HD23  LEU  32          HD22      LEU  32  13.139   9.435   0.380
  246    H    LEU  33           H        LEU  33  17.591  13.886   1.579
  247    HA   LEU  33           HA       LEU  33  17.529  16.018  -0.190
  248    HB2  LEU  33           HB2      LEU  33  18.156  16.041   2.244
  249    HB3  LEU  33           HB3      LEU  33  19.719  15.363   1.808
  250    HG   LEU  33           HG       LEU  33  20.207  17.407   0.451
  251   HD11  LEU  33          HD11      LEU  33  18.843  19.391   0.663
  252   HD12  LEU  33          HD12      LEU  33  17.875  18.118  -0.022
  253   HD13  LEU  33          HD13      LEU  33  17.672  18.532   1.697
  254   HD21  LEU  33          HD23      LEU  33  20.765  18.788   2.322
  255   HD22  LEU  33          HD21      LEU  33  19.569  17.968   3.350
  256   HD23  LEU  33          HD22      LEU  33  20.998  17.100   2.760
  257    H    ASP  34           H        ASP  34  20.004  13.510   0.235
  258    HA   ASP  34           HA       ASP  34  22.020  14.435  -1.438
  259    HB2  ASP  34           HB2      ASP  34  22.281  12.544   0.166
  260    HB3  ASP  34           HB3      ASP  34  21.070  11.608  -0.725
  261    H    LYS  35           H        LYS  35  19.098  12.816  -2.309
  262    HA   LYS  35           HA       LYS  35  20.067  12.506  -5.132
  263    HB2  LYS  35           HB2      LYS  35  17.758  11.078  -3.896
  264    HB3  LYS  35           HB3      LYS  35  18.568  10.785  -5.446
  265    HG2  LYS  35           HG2      LYS  35  20.737  10.534  -3.981
  266    HG3  LYS  35           HG3      LYS  35  19.605  10.366  -2.618
  267    HD2  LYS  35           HD2      LYS  35  18.483   8.571  -4.119
  268    HD3  LYS  35           HD3      LYS  35  20.011   8.642  -5.034
  269    HE2  LYS  35           HE2      LYS  35  19.695   8.194  -2.027
  270    HE3  LYS  35           HE3      LYS  35  19.940   6.863  -3.180
  271    HZ1  LYS  35           HZ3      LYS  35  22.099   7.864  -3.754
  272    HZ2  LYS  35           HZ1      LYS  35  21.922   9.022  -2.603
  273    HZ3  LYS  35           HZ2      LYS  35  22.035   7.432  -2.186
  274    H    ASN  36           H        ASN  36  19.021  14.928  -3.613
  275    HA   ASN  36           HA       ASN  36  17.485  16.468  -3.566
  276    HB2  ASN  36           HB2      ASN  36  17.501  17.936  -5.219
  277    HB3  ASN  36           HB3      ASN  36  18.923  16.974  -5.589
  278   HD21  ASN  36          HD22      ASN  36  17.421  14.757  -6.866
  279   HD22  ASN  36          HD21      ASN  36  16.970  15.401  -8.436
  280    H    TYR  37           H        TYR  37  16.135  14.118  -3.078
  281    HA   TYR  37           HA       TYR  37  13.531  14.203  -4.394
  282    HB2  TYR  37           HB2      TYR  37  14.554  13.098  -1.764
  283    HB3  TYR  37           HB3      TYR  37  12.854  13.119  -2.123
  284    HD1  TYR  37           HD1      TYR  37  11.832  11.637  -3.743
  285    HD2  TYR  37           HD2      TYR  37  16.030  11.325  -2.731
  286    HE1  TYR  37           HE1      TYR  37  11.987   9.488  -4.967
  287    HE2  TYR  37           HE2      TYR  37  16.149   9.174  -3.901
  288    HH   TYR  37           HH       TYR  37  13.337   7.713  -5.594
  289    H    ILE  38           H        ILE  38  15.183  16.205  -2.097
  290    HA   ILE  38           HA       ILE  38  12.833  17.889  -1.579
  291    HB   ILE  38           HB       ILE  38  13.386  17.877   0.858
  292   HG12  ILE  38          HG12      ILE  38  15.204  15.517   0.183
  293   HG13  ILE  38          HG13      ILE  38  15.747  17.136   0.642
  294   HG21  ILE  38          HG21      ILE  38  12.727  15.053  -0.051
  295   HG22  ILE  38          HG22      ILE  38  12.347  15.803   1.501
  296   HG23  ILE  38          HG23      ILE  38  11.559  16.397   0.043
  297   HD11  ILE  38          HD13      ILE  38  14.653  16.870   2.835
  298   HD12  ILE  38          HD11      ILE  38  14.278  15.175   2.409
  299   HD13  ILE  38          HD12      ILE  38  15.959  15.704   2.481
  300    H    SER  39           H        SER  39  13.705  19.890  -0.274
  301    HA   SER  39           HA       SER  39  16.541  20.533  -0.928
  302    HB2  SER  39           HB2      SER  39  15.803  22.882  -0.819
  303    HB3  SER  39           HB3      SER  39  14.926  21.984  -2.070
  304    HG   SER  39           HG       SER  39  13.517  23.256  -0.830
  305    H    GLU  40           H        GLU  40  17.571  21.944   0.807
  306    HA   GLU  40           HA       GLU  40  17.366  20.707   3.335
  307    HB2  GLU  40           HB2      GLU  40  18.547  23.457   2.764
  308    HB3  GLU  40           HB3      GLU  40  18.898  22.394   4.121
  309    HG2  GLU  40           HG2      GLU  40  20.709  21.870   2.881
  310    HG3  GLU  40           HG3      GLU  40  19.632  20.688   2.170
  311    H    ASN  41           H        ASN  41  15.609  23.489   2.038
  312    HA   ASN  41           HA       ASN  41  14.684  24.607   4.504
  313    HB2  ASN  41           HB2      ASN  41  14.434  25.731   2.292
  314    HB3  ASN  41           HB3      ASN  41  13.266  24.498   1.796
  315   HD21  ASN  41          HD22      ASN  41  11.068  24.584   2.692
  316   HD22  ASN  41          HD21      ASN  41  10.567  25.949   3.656
  317    H    TYR  42           H        TYR  42  13.515  21.878   2.525
  318    HA   TYR  42           HA       TYR  42  11.007  21.444   3.765
  319    HB2  TYR  42           HB2      TYR  42  11.928  20.387   1.658
  320    HB3  TYR  42           HB3      TYR  42  12.980  19.402   2.657
  321    HD1  TYR  42           HD2      TYR  42   9.412  20.160   1.964
  322    HD2  TYR  42           HD1      TYR  42  12.235  17.354   3.618
  323    HE1  TYR  42           HE2      TYR  42   7.655  18.412   1.986
  324    HE2  TYR  42           HE1      TYR  42  10.477  15.606   3.672
  325    HH   TYR  42           HH       TYR  42   7.103  16.297   2.714
  326    H    ILE  43           H        ILE  43  14.246  20.129   4.467
  327    HA   ILE  43           HA       ILE  43  13.667  18.518   6.684
  328    HB   ILE  43           HB       ILE  43  16.220  20.024   6.094
  329   HG12  ILE  43          HG12      ILE  43  15.047  17.390   5.105
  330   HG13  ILE  43          HG13      ILE  43  15.463  18.797   4.122
  331   HG21  ILE  43          HG21      ILE  43  15.827  17.407   7.600
  332   HG22  ILE  43          HG22      ILE  43  17.315  18.357   7.426
  333   HG23  ILE  43          HG23      ILE  43  15.975  18.974   8.400
  334   HD11  ILE  43          HD13      ILE  43  17.817  18.516   4.666
  335   HD12  ILE  43          HD11      ILE  43  17.416  17.016   5.545
  336   HD13  ILE  43          HD12      ILE  43  17.082  17.133   3.805
  337    H    GLN  44           H        GLN  44  14.749  21.981   6.529
  338    HA   GLN  44           HA       GLN  44  14.727  22.235   9.351
  339    HB2  GLN  44           HB2      GLN  44  16.016  23.634   7.579
  340    HB3  GLN  44           HB3      GLN  44  14.553  24.611   7.485
  341    HG2  GLN  44           HG2      GLN  44  16.145  25.608   9.067
  342    HG3  GLN  44           HG3      GLN  44  14.725  25.062   9.945
  343   HE21  GLN  44          HE22      GLN  44  15.292  24.085  11.917
  344   HE22  GLN  44          HE21      GLN  44  16.680  23.057  12.156
  345    H    ALA  45           H        ALA  45  12.109  22.703   7.017
  346    HA   ALA  45           HA       ALA  45  10.305  24.087   8.690
  347    HB1  ALA  45           HB3      ALA  45   9.892  23.541   6.271
  348    HB2  ALA  45           HB1      ALA  45   9.600  21.843   6.734
  349    HB3  ALA  45           HB2      ALA  45   8.532  23.111   7.331
  350    H    ILE  46           H        ILE  46  11.113  20.574   8.533
  351    HA   ILE  46           HA       ILE  46   9.111  19.809  10.447
  352    HB   ILE  46           HB       ILE  46  11.693  18.330   9.878
  353   HG12  ILE  46          HG12      ILE  46   9.154  17.936   8.299
  354   HG13  ILE  46          HG13      ILE  46  10.516  18.854   7.701
  355   HG21  ILE  46          HG21      ILE  46   8.909  17.345  10.666
  356   HG22  ILE  46          HG22      ILE  46  10.392  16.374  10.594
  357   HG23  ILE  46          HG23      ILE  46  10.236  17.631  11.812
  358   HD11  ILE  46          HD13      ILE  46  10.572  16.588   6.793
  359   HD12  ILE  46          HD11      ILE  46  11.996  16.927   7.793
  360   HD13  ILE  46          HD12      ILE  46  10.700  15.902   8.412
  361    H    LYS  47           H        LYS  47  12.669  20.456  10.611
  362    HA   LYS  47           HA       LYS  47  12.942  19.791  13.328
  363    HB2  LYS  47           HB2      LYS  47  14.403  21.817  11.591
  364    HB3  LYS  47           HB3      LYS  47  14.961  21.411  13.214
  365    HG2  LYS  47           HG2      LYS  47  15.588  19.198  12.554
  366    HG3  LYS  47           HG3      LYS  47  14.763  19.355  10.987
  367    HD2  LYS  47           HD2      LYS  47  16.278  21.065  10.272
  368    HD3  LYS  47           HD3      LYS  47  17.100  21.099  11.846
  369    HE2  LYS  47           HE2      LYS  47  18.087  18.945  11.458
  370    HE3  LYS  47           HE3      LYS  47  17.089  18.658  10.038
  371    HZ1  LYS  47           HZ3      LYS  47  19.268  20.656  10.303
  372    HZ2  LYS  47           HZ1      LYS  47  19.253  19.355   9.304
  373    HZ3  LYS  47           HZ2      LYS  47  18.266  20.623   9.021
  374    H    ASP  48           H        ASP  48  12.262  22.996  11.818
  375    HA   ASP  48           HA       ASP  48  12.356  24.513  14.203
  376    HB2  ASP  48           HB2      ASP  48  12.504  25.502  11.971
  377    HB3  ASP  48           HB3      ASP  48  10.856  24.986  11.598
  378    H    SER  49           H        SER  49   9.576  22.965  12.516
  379    HA   SER  49           HA       SER  49   7.556  23.812  14.373
  380    HB2  SER  49           HB2      SER  49   7.689  21.308  12.652
  381    HB3  SER  49           HB3      SER  49   6.230  22.046  13.347
  382    HG   SER  49           HG       SER  49   7.887  22.883  11.229
  383    H    THR  50           H        THR  50   9.589  20.808  14.233
  384    HA   THR  50           HA       THR  50   8.573  19.594  16.525
  385    HB   THR  50           HB       THR  50  11.358  19.487  15.318
  386    HG1  THR  50           HG1      THR  50   9.909  18.855  13.853
  387   HG21  THR  50          HG23      THR  50  11.556  18.482  17.483
  388   HG22  THR  50          HG21      THR  50  10.000  17.649  17.322
  389   HG23  THR  50          HG22      THR  50  11.378  17.168  16.307
  390    H    ILE  51           H        ILE  51  11.180  22.097  16.318
  391    HA   ILE  51           HA       ILE  51  11.741  22.032  19.138
  392    HB   ILE  51           HB       ILE  51  12.224  24.080  16.944
  393   HG12  ILE  51          HG12      ILE  51  14.222  22.350  18.476
  394   HG13  ILE  51          HG13      ILE  51  13.450  21.796  17.000
  395   HG21  ILE  51          HG21      ILE  51  13.230  24.204  19.825
  396   HG22  ILE  51          HG22      ILE  51  13.773  25.255  18.501
  397   HG23  ILE  51          HG23      ILE  51  12.114  25.351  19.052
  398   HD11  ILE  51          HD13      ILE  51  15.612  22.682  16.449
  399   HD12  ILE  51          HD11      ILE  51  14.376  23.749  15.761
  400   HD13  ILE  51          HD12      ILE  51  15.268  24.226  17.228
  401    H    ASN  52           H        ASN  52   9.578  24.102  17.137
  402    HA   ASN  52           HA       ASN  52   8.899  25.811  19.368
  403    HB2  ASN  52           HB2      ASN  52   7.901  25.495  16.517
  404    HB3  ASN  52           HB3      ASN  52   7.068  26.552  17.643
  405   HD21  ASN  52          HD22      ASN  52  10.140  26.088  15.933
  406   HD22  ASN  52          HD21      ASN  52  10.727  27.715  16.184
  407    H    ASN  53           H        ASN  53   7.329  22.998  17.910
  408    HA   ASN  53           HA       ASN  53   4.892  23.412  19.592
  409    HB2  ASN  53           HB2      ASN  53   4.926  23.607  16.978
  410    HB3  ASN  53           HB3      ASN  53   5.117  21.858  16.989
  411   HD21  ASN  53          HD22      ASN  53   3.007  24.561  17.850
  412   HD22  ASN  53          HD21      ASN  53   1.530  23.637  17.978
  413    H    GLY  54           H        GLY  54   7.591  21.367  19.162
  414    HA2  GLY  54           HA2      GLY  54   8.081  19.351  20.284
  415    HA3  GLY  54           HA3      GLY  54   6.360  19.079  20.620
  416    HA   PRO  55           HA       PRO  55   7.850  17.082  16.528
  417    HB2  PRO  55           HB2      PRO  55   7.626  14.413  17.130
  418    HB3  PRO  55           HB3      PRO  55   9.119  15.357  17.417
  419    HG2  PRO  55           HG2      PRO  55   6.921  14.693  19.386
  420    HG3  PRO  55           HG3      PRO  55   8.691  14.536  19.587
  421    HD2  PRO  55           HD2      PRO  55   7.282  16.696  20.548
  422    HD3  PRO  55           HD3      PRO  55   8.931  16.900  19.890
  423    H    TYR  56           H        TYR  56   6.414  16.281  15.007
  424    HA   TYR  56           HA       TYR  56   3.579  16.000  15.872
  425    HB2  TYR  56           HB2      TYR  56   2.855  17.660  14.369
  426    HB3  TYR  56           HB3      TYR  56   4.078  18.349  15.404
  427    HD1  TYR  56           HD1      TYR  56   6.653  18.138  14.237
  428    HD2  TYR  56           HD2      TYR  56   2.843  18.518  12.230
  429    HE1  TYR  56           HE1      TYR  56   7.789  19.027  12.252
  430    HE2  TYR  56           HE2      TYR  56   3.972  19.538  10.288
  431    HH   TYR  56           HH       TYR  56   6.006  20.163   9.341
  432    H    TYR  57           H        TYR  57   5.742  14.187  14.789
  433    HA   TYR  57           HA       TYR  57   4.044  12.706  12.896
  434    HB2  TYR  57           HB2      TYR  57   6.896  13.515  12.341
  435    HB3  TYR  57           HB3      TYR  57   6.115  12.084  11.670
  436    HD1  TYR  57           HD1      TYR  57   4.188  12.224  10.141
  437    HD2  TYR  57           HD2      TYR  57   6.266  15.756  11.503
  438    HE1  TYR  57           HE1      TYR  57   3.042  13.561   8.401
  439    HE2  TYR  57           HE2      TYR  57   5.161  17.080   9.737
  440    HH   TYR  57           HH       TYR  57   3.560  17.102   8.048
  441    H    ILE  58           H        ILE  58   3.608  11.559  14.910
  442    HA   ILE  58           HA       ILE  58   5.764   9.751  15.847
  443    HB   ILE  58           HB       ILE  58   3.787  11.225  17.634
  444   HG12  ILE  58          HG12      ILE  58   5.613  12.742  17.089
  445   HG13  ILE  58          HG13      ILE  58   5.665  12.250  18.769
  446   HG21  ILE  58          HG21      ILE  58   5.016  10.067  19.513
  447   HG22  ILE  58          HG22      ILE  58   4.057   8.993  18.500
  448   HG23  ILE  58          HG23      ILE  58   5.811   9.041  18.297
  449   HD11  ILE  58          HD13      ILE  58   7.925  12.270  17.971
  450   HD12  ILE  58          HD11      ILE  58   7.479  10.575  18.152
  451   HD13  ILE  58          HD12      ILE  58   7.504  11.312  16.543
  452    H    LEU  59           H        LEU  59   4.934   7.662  16.223
  453    HA   LEU  59           HA       LEU  59   2.106   7.236  15.307
  454    HB2  LEU  59           HB2      LEU  59   4.627   5.861  14.361
  455    HB3  LEU  59           HB3      LEU  59   2.991   5.271  14.089
  456    HG   LEU  59           HG       LEU  59   2.707   7.931  13.343
  457   HD11  LEU  59          HD11      LEU  59   5.430   7.083  12.292
  458   HD12  LEU  59          HD12      LEU  59   4.560   8.623  12.024
  459   HD13  LEU  59          HD13      LEU  59   5.194   8.233  13.608
  460   HD21  LEU  59          HD23      LEU  59   1.817   5.980  12.252
  461   HD22  LEU  59          HD21      LEU  59   2.526   7.112  11.105
  462   HD23  LEU  59          HD22      LEU  59   3.406   5.617  11.535
  463    H    ALA  60           H        ALA  60   4.754   6.112  17.388
  464    HA   ALA  60           HA       ALA  60   3.017   4.461  18.979
  465    HB1  ALA  60           HB3      ALA  60   3.371   2.889  17.075
  466    HB2  ALA  60           HB1      ALA  60   5.125   3.122  17.196
  467    HB3  ALA  60           HB2      ALA  60   4.243   2.317  18.500
  468    HA   PRO  61           HA       PRO  61   6.289   5.296  21.931
  469    HB2  PRO  61           HB2      PRO  61   6.414   2.284  22.331
  470    HB3  PRO  61           HB3      PRO  61   6.453   3.576  23.566
  471    HG2  PRO  61           HG2      PRO  61   4.149   2.263  23.079
  472    HG3  PRO  61           HG3      PRO  61   4.123   4.051  23.237
  473    HD2  PRO  61           HD2      PRO  61   4.105   2.382  20.721
  474    HD3  PRO  61           HD3      PRO  61   3.138   3.835  21.118
  475    H    GLY  62           H        GLY  62   8.143   5.997  21.030
  476    HA2  GLY  62           HA2      GLY  62  10.387   5.795  20.535
  477    HA3  GLY  62           HA3      GLY  62  10.209   4.063  20.282
  478    H    VAL  63           H        VAL  63   7.809   5.694  18.417
  479    HA   VAL  63           HA       VAL  63   9.519   5.410  15.990
  480    HB   VAL  63           HB       VAL  63   6.583   4.684  16.274
  481   HG11  VAL  63          HG11      VAL  63   7.250   5.223  13.958
  482   HG12  VAL  63          HG12      VAL  63   8.588   4.068  14.059
  483   HG13  VAL  63          HG13      VAL  63   6.903   3.504  14.106
  484   HG21  VAL  63          HG23      VAL  63   9.038   2.892  16.442
  485   HG22  VAL  63          HG21      VAL  63   7.772   3.114  17.661
  486   HG23  VAL  63          HG22      VAL  63   7.383   2.307  16.156
  487    H    ALA  64           H        ALA  64   9.586   7.112  14.696
  488    HA   ALA  64           HA       ALA  64   7.416   9.135  14.707
  489    HB1  ALA  64           HB3      ALA  64   9.401   9.985  15.966
  490    HB2  ALA  64           HB1      ALA  64  10.407   9.692  14.523
  491    HB3  ALA  64           HB2      ALA  64   9.115  10.905  14.486
  492    H    MET  65           H        MET  65   7.630  10.539  12.664
  493    HA   MET  65           HA       MET  65   8.783   9.071  10.393
  494    HB2  MET  65           HB2      MET  65   6.559   8.144  10.659
  495    HB3  MET  65           HB3      MET  65   5.865   9.771  10.555
  496    HG2  MET  65           HG2      MET  65   7.313   9.664   8.212
  497    HG3  MET  65           HG3      MET  65   6.947   7.969   8.445
  498    HE1  MET  65           HE3      MET  65   4.580   7.058   8.730
  499    HE2  MET  65           HE1      MET  65   4.078   8.199   9.990
  500    HE3  MET  65           HE2      MET  65   3.048   7.956   8.562
  501    HA   PRO  66           HA       PRO  66   9.013  13.751  10.312
  502    HB2  PRO  66           HB2      PRO  66  11.756  12.971   9.214
  503    HB3  PRO  66           HB3      PRO  66  11.328  14.412  10.181
  504    HG2  PRO  66           HG2      PRO  66  12.453  12.321  11.424
  505    HG3  PRO  66           HG3      PRO  66  11.005  13.072  12.156
  506    HD2  PRO  66           HD2      PRO  66  11.131  10.586  10.412
  507    HD3  PRO  66           HD3      PRO  66  10.304  10.820  11.983
  508    H    HIS  67           H        HIS  67   8.597  14.975   8.615
  509    HA   HIS  67           HA       HIS  67   8.725  14.597   5.810
  510    HB2  HIS  67           HB2      HIS  67   7.236  12.731   5.951
  511    HB3  HIS  67           HB3      HIS  67   6.336  13.434   7.282
  512    HD1  HIS  67           HD1      HIS  67   4.262  14.946   6.713
  513    HD2  HIS  67           HD2      HIS  67   6.532  13.791   3.355
  514    HE1  HIS  67           HE1      HIS  67   2.867  15.468   4.668
  515    H    ALA  68           H        ALA  68   7.456  16.386   4.831
  516    HA   ALA  68           HA       ALA  68   6.085  18.244   6.649
  517    HB1  ALA  68           HB3      ALA  68   8.388  19.111   4.851
  518    HB2  ALA  68           HB1      ALA  68   7.226  20.212   5.613
  519    HB3  ALA  68           HB2      ALA  68   8.304  19.240   6.616
  520    H    ARG  69           H        ARG  69   4.761  19.814   5.300
  521    HA   ARG  69           HA       ARG  69   3.288  18.489   3.299
  522    HB2  ARG  69           HB2      ARG  69   3.602  21.351   4.191
  523    HB3  ARG  69           HB3      ARG  69   2.864  21.084   2.636
  524    HG2  ARG  69           HG2      ARG  69   1.869  19.847   5.228
  525    HG3  ARG  69           HG3      ARG  69   1.226  21.314   4.493
  526    HD2  ARG  69           HD2      ARG  69   1.113  18.514   3.292
  527    HD3  ARG  69           HD3      ARG  69  -0.215  19.429   4.007
  528    HE   ARG  69           HE       ARG  69   1.175  20.684   1.705
  529   HH11  ARG  69          HH11      ARG  69  -1.552  18.595   2.628
  530   HH12  ARG  69          HH12      ARG  69  -2.479  18.985   1.228
  531   HH21  ARG  69          HH21      ARG  69  -0.069  21.327   0.003
  532   HH22  ARG  69          HH22      ARG  69  -1.590  20.550  -0.354
  533    HA   PRO  70           HA       PRO  70   5.923  18.199  -0.198
  534    HB2  PRO  70           HB2      PRO  70   3.473  19.350  -1.646
  535    HB3  PRO  70           HB3      PRO  70   4.571  18.078  -2.224
  536    HG2  PRO  70           HG2      PRO  70   2.238  17.402  -1.047
  537    HG3  PRO  70           HG3      PRO  70   3.726  16.537  -0.542
  538    HD2  PRO  70           HD2      PRO  70   2.285  18.781   0.870
  539    HD3  PRO  70           HD3      PRO  70   3.084  17.329   1.548
  540    H    GLU  71           H        GLU  71   3.888  21.214  -0.230
  541    HA   GLU  71           HA       GLU  71   5.688  22.668  -1.901
  542    HB2  GLU  71           HB2      GLU  71   4.273  24.624  -1.336
  543    HB3  GLU  71           HB3      GLU  71   3.395  23.246  -1.963
  544    HG2  GLU  71           HG2      GLU  71   3.574  23.566   1.038
  545    HG3  GLU  71           HG3      GLU  71   2.540  24.663   0.128
  546    H    CYS  72           H        CYS  72   6.284  21.789   1.281
  547    HA   CYS  72           HA       CYS  72   7.675  24.259   2.069
  548    HB2  CYS  72           HB2      CYS  72   7.653  21.469   3.308
  549    HB3  CYS  72           HB3      CYS  72   8.451  22.897   3.985
  550    HG   CYS  72           HG       CYS  72   6.275  22.483   5.334
  551    H    GLY  73           H        GLY  73   8.342  21.830  -0.206
  552    HA2  GLY  73           HA2      GLY  73  10.513  22.564  -1.312
  553    HA3  GLY  73           HA3      GLY  73  11.301  22.122   0.201
  554    H    ALA  74           H        ALA  74   8.641  20.013  -0.756
  555    HA   ALA  74           HA       ALA  74  10.490  17.806  -1.313
  556    HB1  ALA  74           HB3      ALA  74   8.254  17.407  -0.301
  557    HB2  ALA  74           HB1      ALA  74   7.518  18.015  -1.811
  558    HB3  ALA  74           HB2      ALA  74   8.513  16.546  -1.830
  559    H    LEU  75           H        LEU  75  10.894  16.932  -3.302
  560    HA   LEU  75           HA       LEU  75  10.214  18.552  -5.721
  561    HB2  LEU  75           HB2      LEU  75  12.870  17.286  -4.981
  562    HB3  LEU  75           HB3      LEU  75  12.533  18.122  -6.489
  563    HG   LEU  75           HG       LEU  75  12.519  19.419  -3.727
  564   HD11  LEU  75          HD11      LEU  75  14.769  18.688  -4.386
  565   HD12  LEU  75          HD12      LEU  75  14.615  19.541  -5.933
  566   HD13  LEU  75          HD13      LEU  75  14.643  20.452  -4.404
  567   HD21  LEU  75          HD23      LEU  75  11.063  20.634  -5.319
  568   HD22  LEU  75          HD21      LEU  75  12.523  21.561  -4.977
  569   HD23  LEU  75          HD22      LEU  75  12.379  20.673  -6.511
  570    H    LYS  76           H        LYS  76  10.926  15.369  -4.286
  571    HA   LYS  76           HA       LYS  76   9.471  14.103  -6.479
  572    HB2  LYS  76           HB2      LYS  76  12.162  13.106  -5.482
  573    HB3  LYS  76           HB3      LYS  76  11.132  12.292  -6.656
  574    HG2  LYS  76           HG2      LYS  76  11.482  14.201  -8.229
  575    HG3  LYS  76           HG3      LYS  76  12.565  14.960  -7.037
  576    HD2  LYS  76           HD2      LYS  76  14.048  12.982  -7.101
  577    HD3  LYS  76           HD3      LYS  76  13.020  12.228  -8.325
  578    HE2  LYS  76           HE2      LYS  76  14.456  14.908  -8.636
  579    HE3  LYS  76           HE3      LYS  76  15.082  13.362  -9.221
  580    HZ1  LYS  76           HZ3      LYS  76  12.577  14.638 -10.160
  581    HZ2  LYS  76           HZ1      LYS  76  13.978  14.554 -10.985
  582    HZ3  LYS  76           HZ2      LYS  76  13.147  13.192 -10.675
  583    H    THR  77           H        THR  77   8.524  12.042  -5.772
  584    HA   THR  77           HA       THR  77   8.109  11.939  -2.938
  585    HB   THR  77           HB       THR  77   7.055  10.326  -5.298
  586    HG1  THR  77           HG1      THR  77   5.911  11.985  -5.716
  587   HG21  THR  77          HG23      THR  77   5.219   9.694  -3.887
  588   HG22  THR  77          HG21      THR  77   6.704   9.298  -3.029
  589   HG23  THR  77          HG22      THR  77   5.790  10.749  -2.569
  590    H    GLY  78           H        GLY  78   9.011  10.506  -1.510
  591    HA2  GLY  78           HA2      GLY  78  10.067   7.966  -2.295
  592    HA3  GLY  78           HA3      GLY  78  11.366   9.148  -2.053
  593    H    MET  79           H        MET  79  11.740   7.331  -0.339
  594    HA   MET  79           HA       MET  79  10.760   8.310   2.258
  595    HB2  MET  79           HB2      MET  79  10.462   5.477   1.179
  596    HB3  MET  79           HB3      MET  79  10.604   5.794   2.904
  597    HG2  MET  79           HG2      MET  79   8.596   7.137   2.928
  598    HG3  MET  79           HG3      MET  79   8.432   7.012   1.178
  599    HE1  MET  79           HE3      MET  79   8.926   4.875   4.384
  600    HE2  MET  79           HE1      MET  79   8.098   3.357   4.020
  601    HE3  MET  79           HE2      MET  79   9.630   3.736   3.212
  602    H    SER  80           H        SER  80  12.052   7.178   4.072
  603    HA   SER  80           HA       SER  80  14.466   5.737   3.438
  604    HB2  SER  80           HB2      SER  80  14.605   8.645   4.422
  605    HB3  SER  80           HB3      SER  80  15.936   7.506   4.671
  606    HG   SER  80           HG       SER  80  14.833   7.775   2.098
  607    H    LEU  81           H        LEU  81  15.690   5.386   5.674
  608    HA   LEU  81           HA       LEU  81  13.724   5.018   7.872
  609    HB2  LEU  81           HB2      LEU  81  13.490   3.254   6.211
  610    HB3  LEU  81           HB3      LEU  81  15.235   2.998   6.179
  611    HG   LEU  81           HG       LEU  81  15.285   1.855   8.197
  612   HD11  LEU  81          HD11      LEU  81  13.739   3.222   9.585
  613   HD12  LEU  81          HD12      LEU  81  12.364   2.576   8.660
  614   HD13  LEU  81          HD13      LEU  81  13.349   1.504   9.657
  615   HD21  LEU  81          HD23      LEU  81  13.911  -0.029   7.509
  616   HD22  LEU  81          HD21      LEU  81  12.691   1.042   6.798
  617   HD23  LEU  81          HD22      LEU  81  14.249   0.885   6.003
  618    H    THR  82           H        THR  82  14.761   5.679   9.698
  619    HA   THR  82           HA       THR  82  17.709   5.298   9.961
  620    HB   THR  82           HB       THR  82  15.902   7.483  11.088
  621    HG1  THR  82           HG1      THR  82  16.396   7.593   8.822
  622   HG21  THR  82          HG23      THR  82  18.917   7.058  11.330
  623   HG22  THR  82          HG21      THR  82  18.067   8.573  11.737
  624   HG23  THR  82          HG22      THR  82  17.711   7.093  12.629
  625    H    LEU  83           H        LEU  83  18.423   4.447  11.939
  626    HA   LEU  83           HA       LEU  83  16.421   4.066  14.071
  627    HB2  LEU  83           HB2      LEU  83  16.704   1.900  12.767
  628    HB3  LEU  83           HB3      LEU  83  18.404   1.919  13.231
  629    HG   LEU  83           HG       LEU  83  17.505   2.047  15.701
  630   HD11  LEU  83          HD11      LEU  83  15.322   1.262  16.126
  631   HD12  LEU  83          HD12      LEU  83  15.118   2.525  14.920
  632   HD13  LEU  83          HD13      LEU  83  15.025   0.825  14.416
  633   HD21  LEU  83          HD23      LEU  83  17.217  -0.409  15.787
  634   HD22  LEU  83          HD21      LEU  83  17.137  -0.416  14.015
  635   HD23  LEU  83          HD22      LEU  83  18.630   0.081  14.836
  636    H    LEU  84           H        LEU  84  17.322   4.306  16.105
  637    HA   LEU  84           HA       LEU  84  20.213   5.086  16.324
  638    HB2  LEU  84           HB2      LEU  84  17.698   6.246  17.528
  639    HB3  LEU  84           HB3      LEU  84  19.259   6.378  18.341
  640    HG   LEU  84           HG       LEU  84  20.208   7.689  16.579
  641   HD11  LEU  84          HD11      LEU  84  18.770   8.606  14.738
  642   HD12  LEU  84          HD12      LEU  84  19.177   6.905  14.561
  643   HD13  LEU  84          HD13      LEU  84  17.552   7.368  15.134
  644   HD21  LEU  84          HD23      LEU  84  18.706   9.683  16.860
  645   HD22  LEU  84          HD21      LEU  84  17.443   8.622  17.486
  646   HD23  LEU  84          HD22      LEU  84  18.977   8.800  18.372
  647    H    GLU  85           H        GLU  85  21.264   3.765  17.843
  648    HA   GLU  85           HA       GLU  85  19.910   1.653  19.165
  649    HB2  GLU  85           HB2      GLU  85  22.687   2.799  19.599
  650    HB3  GLU  85           HB3      GLU  85  22.069   1.361  20.412
  651    HG2  GLU  85           HG2      GLU  85  21.659   0.282  18.207
  652    HG3  GLU  85           HG3      GLU  85  22.359   1.681  17.395
  653    H    GLN  86           H        GLN  86  21.180   4.729  20.409
  654    HA   GLN  86           HA       GLN  86  20.001   4.238  23.076
  655    HB2  GLN  86           HB2      GLN  86  21.406   6.729  22.007
  656    HB3  GLN  86           HB3      GLN  86  21.002   6.390  23.678
  657    HG2  GLN  86           HG2      GLN  86  22.466   4.266  23.460
  658    HG3  GLN  86           HG3      GLN  86  23.085   4.980  21.969
  659   HE21  GLN  86          HE22      GLN  86  24.110   7.248  22.179
  660   HE22  GLN  86          HE21      GLN  86  24.905   7.613  23.692
  661    H    GLY  87           H        GLY  87  18.966   5.665  20.122
  662    HA2  GLY  87           HA2      GLY  87  17.139   6.960  19.549
  663    HA3  GLY  87           HA3      GLY  87  16.524   6.797  21.197
  664    H    VAL  88           H        VAL  88  16.073   9.213  20.324
  665    HA   VAL  88           HA       VAL  88  17.789  10.749  22.077
  666    HB   VAL  88           HB       VAL  88  18.500  10.925  19.453
  667   HG11  VAL  88          HG11      VAL  88  16.530  13.203  19.704
  668   HG12  VAL  88          HG12      VAL  88  17.660  12.869  18.386
  669   HG13  VAL  88          HG13      VAL  88  16.327  11.735  18.712
  670   HG21  VAL  88          HG23      VAL  88  19.733  11.789  21.296
  671   HG22  VAL  88          HG21      VAL  88  19.618  12.986  19.996
  672   HG23  VAL  88          HG22      VAL  88  18.618  13.169  21.458
  673    H    TYR  89           H        TYR  89  16.589  13.005  22.397
  674    HA   TYR  89           HA       TYR  89  13.714  12.266  22.634
  675    HB2  TYR  89           HB2      TYR  89  15.069  11.943  24.700
  676    HB3  TYR  89           HB3      TYR  89  15.394  13.661  24.720
  677    HD1  TYR  89           HD2      TYR  89  11.949  13.058  23.582
  678    HD2  TYR  89           HD1      TYR  89  14.494  13.238  27.092
  679    HE1  TYR  89           HE2      TYR  89  10.001  13.357  24.997
  680    HE2  TYR  89           HE1      TYR  89  12.493  13.595  28.508
  681    HH   TYR  89           HH       TYR  89   9.190  13.843  27.078
  682    H    PHE  90           H        PHE  90  12.996  13.443  20.932
  683    HA   PHE  90           HA       PHE  90  13.400  16.125  20.287
  684    HB2  PHE  90           HB2      PHE  90  10.902  14.391  20.335
  685    HB3  PHE  90           HB3      PHE  90  10.949  15.987  19.576
  686    HD1  PHE  90           HD2      PHE  90  13.139  16.289  17.945
  687    HD2  PHE  90           HD1      PHE  90  10.986  12.646  18.739
  688    HE1  PHE  90           HE2      PHE  90  13.948  15.351  15.808
  689    HE2  PHE  90           HE1      PHE  90  11.781  11.713  16.574
  690    HZ   PHE  90           HZ       PHE  90  13.268  13.068  15.107
  691    HA   PRO  91           HA       PRO  91  12.246  18.201  23.944
  692    HB2  PRO  91           HB2      PRO  91  11.439  20.693  23.037
  693    HB3  PRO  91           HB3      PRO  91  13.138  20.137  23.131
  694    HG2  PRO  91           HG2      PRO  91  11.297  20.115  20.729
  695    HG3  PRO  91           HG3      PRO  91  13.005  20.661  20.817
  696    HD2  PRO  91           HD2      PRO  91  12.345  18.199  19.887
  697    HD3  PRO  91           HD3      PRO  91  13.802  18.432  20.905
  698    H    GLY  92           H        GLY  92  10.523  18.128  25.255
  699    HA2  GLY  92           HA2      GLY  92   8.415  18.269  26.060
  700    HA3  GLY  92           HA3      GLY  92   7.955  19.133  24.589
  701    H    ASN  93           H        ASN  93   9.199  16.001  23.728
  702    HA   ASN  93           HA       ASN  93   6.513  15.041  23.139
  703    HB2  ASN  93           HB2      ASN  93   8.645  14.636  21.762
  704    HB3  ASN  93           HB3      ASN  93   9.138  13.504  22.999
  705   HD21  ASN  93          HD21      ASN  93   8.897  11.518  21.992
  706   HD22  ASN  93          HD22      ASN  93   7.427  10.994  21.185
  707    H    ASP  94           H        ASP  94   5.912  12.720  23.910
  708    HA   ASP  94           HA       ASP  94   5.975  12.646  26.775
  709    HB2  ASP  94           HB2      ASP  94   4.139  11.689  25.418
  710    HB3  ASP  94           HB3      ASP  94   5.239  10.442  24.819
  711    H    GLU  95           H        GLU  95   7.857  10.941  24.290
  712    HA   GLU  95           HA       GLU  95   9.835  10.045  26.266
  713    HB2  GLU  95           HB2      GLU  95   9.318   7.788  26.053
  714    HB3  GLU  95           HB3      GLU  95   7.738   8.535  26.003
  715    HG2  GLU  95           HG2      GLU  95   7.750   8.390  23.508
  716    HG3  GLU  95           HG3      GLU  95   9.290   7.526  23.613
  717    HA   PRO  96           HA       PRO  96  12.609  10.440  22.830
  718    HB2  PRO  96           HB2      PRO  96  14.498   8.490  23.130
  719    HB3  PRO  96           HB3      PRO  96  14.316   9.833  24.296
  720    HG2  PRO  96           HG2      PRO  96  13.214   7.023  24.511
  721    HG3  PRO  96           HG3      PRO  96  14.092   7.967  25.756
  722    HD2  PRO  96           HD2      PRO  96  11.365   7.780  25.645
  723    HD3  PRO  96           HD3      PRO  96  12.185   9.256  26.246
  724    H    ILE  97           H        ILE  97  13.408   9.503  20.813
  725    HA   ILE  97           HA       ILE  97  11.684   7.285  19.758
  726    HB   ILE  97           HB       ILE  97  12.780   9.743  18.356
  727   HG12  ILE  97          HG12      ILE  97  10.984  10.473  19.729
  728   HG13  ILE  97          HG13      ILE  97  10.379  10.390  18.089
  729   HG21  ILE  97          HG21      ILE  97  11.568   9.038  16.387
  730   HG22  ILE  97          HG22      ILE  97  12.683   7.762  16.814
  731   HG23  ILE  97          HG23      ILE  97  10.961   7.588  17.193
  732   HD11  ILE  97          HD13      ILE  97   8.726   9.616  19.739
  733   HD12  ILE  97          HD11      ILE  97   9.156   8.304  18.623
  734   HD13  ILE  97          HD12      ILE  97   9.794   8.349  20.288
  735    H    LYS  98           H        LYS  98  12.646   5.684  18.743
  736    HA   LYS  98           HA       LYS  98  15.622   5.755  18.424
  737    HB2  LYS  98           HB2      LYS  98  13.697   3.511  19.131
  738    HB3  LYS  98           HB3      LYS  98  15.299   3.201  18.445
  739    HG2  LYS  98           HG2      LYS  98  16.403   4.261  20.312
  740    HG3  LYS  98           HG3      LYS  98  14.868   4.808  20.992
  741    HD2  LYS  98           HD2      LYS  98  15.834   2.808  22.148
  742    HD3  LYS  98           HD3      LYS  98  14.194   2.593  21.554
  743    HE2  LYS  98           HE2      LYS  98  15.525   0.579  21.189
  744    HE3  LYS  98           HE3      LYS  98  14.968   1.256  19.662
  745    HZ1  LYS  98           HZ3      LYS  98  17.696   1.619  20.777
  746    HZ2  LYS  98           HZ1      LYS  98  17.287   0.563  19.586
  747    HZ3  LYS  98           HZ2      LYS  98  17.199   2.185  19.327
  748    H    LEU  99           H        LEU  99  12.524   5.472  16.774
  749    HA   LEU  99           HA       LEU  99  13.985   4.570  14.333
  750    HB2  LEU  99           HB2      LEU  99  12.759   2.677  15.369
  751    HB3  LEU  99           HB3      LEU  99  11.322   3.691  15.516
  752    HG   LEU  99           HG       LEU  99  11.112   3.744  13.031
  753   HD11  LEU  99          HD11      LEU  99  13.358   1.660  13.093
  754   HD12  LEU  99          HD12      LEU  99  12.331   2.031  11.702
  755   HD13  LEU  99          HD13      LEU  99  13.426   3.254  12.330
  756   HD21  LEU  99          HD23      LEU  99   9.915   2.118  14.511
  757   HD22  LEU  99          HD21      LEU  99  10.168   1.540  12.875
  758   HD23  LEU  99          HD22      LEU  99  11.197   0.939  14.205
  759    H    LEU 100           H        LEU 100  13.573   5.689  12.528
  760    HA   LEU 100           HA       LEU 100  11.256   7.549  12.507
  761    HB2  LEU 100           HB2      LEU 100  14.030   8.413  11.633
  762    HB3  LEU 100           HB3      LEU 100  12.588   9.376  11.748
  763    HG   LEU 100           HG       LEU 100  12.822   8.525  14.346
  764   HD11  LEU 100          HD11      LEU 100  15.687   8.931  13.424
  765   HD12  LEU 100          HD12      LEU 100  15.134   8.672  15.095
  766   HD13  LEU 100          HD13      LEU 100  14.990   7.372  13.906
  767   HD21  LEU 100          HD23      LEU 100  13.656  10.680  14.962
  768   HD22  LEU 100          HD21      LEU 100  14.229  10.989  13.314
  769   HD23  LEU 100          HD22      LEU 100  12.487  10.855  13.641
  770    H    ILE 101           H        ILE 101  10.253   7.520  10.499
  771    HA   ILE 101           HA       ILE 101  11.888   6.550   8.207
  772    HB   ILE 101           HB       ILE 101   9.027   5.971   8.946
  773   HG12  ILE 101          HG12      ILE 101  11.441   4.548   7.755
  774   HG13  ILE 101          HG13      ILE 101  10.666   4.274   9.313
  775   HG21  ILE 101          HG21      ILE 101   8.374   5.485   6.661
  776   HG22  ILE 101          HG22      ILE 101   8.698   7.189   6.846
  777   HG23  ILE 101          HG23      ILE 101   9.910   6.151   6.050
  778   HD11  ILE 101          HD13      ILE 101   8.656   3.411   7.959
  779   HD12  ILE 101          HD11      ILE 101   9.737   3.493   6.537
  780   HD13  ILE 101          HD12      ILE 101  10.146   2.438   7.894
  781    H    GLY 102           H        GLY 102  12.240   7.864   6.631
  782    HA2  GLY 102           HA2      GLY 102  11.189  10.628   6.750
  783    HA3  GLY 102           HA3      GLY 102  12.457  10.020   5.670
  784    H    LEU 103           H        LEU 103   9.748  11.352   5.143
  785    HA   LEU 103           HA       LEU 103   9.133   9.689   2.784
  786    HB2  LEU 103           HB2      LEU 103   7.490   9.023   4.545
  787    HB3  LEU 103           HB3      LEU 103   6.947  10.695   4.630
  788    HG   LEU 103           HG       LEU 103   6.860   8.992   2.065
  789   HD11  LEU 103          HD11      LEU 103   5.544   7.823   3.546
  790   HD12  LEU 103          HD12      LEU 103   4.914   9.300   4.348
  791   HD13  LEU 103          HD13      LEU 103   4.404   8.874   2.712
  792   HD21  LEU 103          HD23      LEU 103   5.400  11.547   2.972
  793   HD22  LEU 103          HD21      LEU 103   6.601  11.431   1.676
  794   HD23  LEU 103          HD22      LEU 103   5.052  10.667   1.473
  795    H    SER 104           H        SER 104   9.104  11.037   1.057
  796    HA   SER 104           HA       SER 104   8.511  13.911   1.457
  797    HB2  SER 104           HB2      SER 104  10.100  14.491  -0.298
  798    HB3  SER 104           HB3      SER 104  10.923  13.741   1.078
  799    HG   SER 104           HG       SER 104  10.634  12.887  -1.536
  800    H    ALA 105           H        ALA 105   7.323  14.800  -0.427
  801    HA   ALA 105           HA       ALA 105   6.478  12.890  -2.469
  802    HB1  ALA 105           HB3      ALA 105   4.538  14.122  -0.475
  803    HB2  ALA 105           HB1      ALA 105   4.082  13.256  -1.958
  804    HB3  ALA 105           HB2      ALA 105   4.914  12.387  -0.647
  805    H    ALA 106           H        ALA 106   6.115  13.933  -4.353
  806    HA   ALA 106           HA       ALA 106   6.493  16.795  -4.447
  807    HB1  ALA 106           HB3      ALA 106   6.262  16.473  -6.891
  808    HB2  ALA 106           HB1      ALA 106   7.387  15.294  -6.196
  809    HB3  ALA 106           HB2      ALA 106   5.733  14.799  -6.630
  810    H    ASP 107           H        ASP 107   3.694  14.682  -4.224
  811    HA   ASP 107           HA       ASP 107   1.871  17.004  -4.353
  812    HB2  ASP 107           HB2      ASP 107   1.915  16.187  -6.677
  813    HB3  ASP 107           HB3      ASP 107   1.597  14.543  -6.129
  814    H    ALA 108           H        ALA 108  -0.235  16.484  -3.374
  815    HA   ALA 108           HA       ALA 108   0.038  15.008  -1.011
  816    HB1  ALA 108           HB3      ALA 108  -1.526  16.889  -1.276
  817    HB2  ALA 108           HB1      ALA 108  -2.508  15.925  -2.411
  818    HB3  ALA 108           HB2      ALA 108  -2.370  15.435  -0.709
  819    H    ASP 109           H        ASP 109  -1.267  13.913  -4.167
  820    HA   ASP 109           HA       ASP 109  -2.368  11.453  -2.988
  821    HB2  ASP 109           HB2      ASP 109  -3.366  12.317  -4.984
  822    HB3  ASP 109           HB3      ASP 109  -1.809  12.259  -5.846
  823    H    SER 110           H        SER 110   0.700  12.480  -4.441
  824    HA   SER 110           HA       SER 110   1.889   9.858  -4.486
  825    HB2  SER 110           HB2      SER 110   3.395  12.474  -4.179
  826    HB3  SER 110           HB3      SER 110   3.892  10.964  -4.961
  827    HG   SER 110           HG       SER 110   3.306  12.473  -6.518
  828    H    HIS 111           H        HIS 111   1.650  12.463  -2.024
  829    HA   HIS 111           HA       HIS 111   3.142  11.194   0.049
  830    HB2  HIS 111           HB2      HIS 111   2.563  13.461   0.413
  831    HB3  HIS 111           HB3      HIS 111   0.893  13.203  -0.002
  832    HD1  HIS 111           HD1      HIS 111   3.163  13.118   3.024
  833    HD2  HIS 111           HD2      HIS 111  -0.795  12.303   1.845
  834    HE1  HIS 111           HE1      HIS 111   1.823  12.836   5.160
  835    H    ILE 112           H        ILE 112  -0.375  10.986  -0.756
  836    HA   ILE 112           HA       ILE 112  -1.067   9.088   1.203
  837    HB   ILE 112           HB       ILE 112  -2.130   9.603  -1.592
  838   HG12  ILE 112          HG12      ILE 112  -2.416  11.390   0.174
  839   HG13  ILE 112          HG13      ILE 112  -3.871  10.832  -0.631
  840   HG21  ILE 112          HG21      ILE 112  -3.276   7.685   0.443
  841   HG22  ILE 112          HG22      ILE 112  -4.169   8.343  -0.955
  842   HG23  ILE 112          HG23      ILE 112  -2.742   7.339  -1.216
  843   HD11  ILE 112          HD13      ILE 112  -4.505   9.541   1.337
  844   HD12  ILE 112          HD11      ILE 112  -2.960   9.947   2.134
  845   HD13  ILE 112          HD12      ILE 112  -4.151  11.221   1.780
  846    H    GLY 113           H        GLY 113   0.163   8.452  -2.163
  847    HA2  GLY 113           HA2      GLY 113   0.129   5.655  -2.001
  848    HA3  GLY 113           HA3      GLY 113   1.234   6.612  -3.002
  849    H    ALA 114           H        ALA 114   2.730   7.922  -0.984
  850    HA   ALA 114           HA       ALA 114   4.633   5.841  -0.349
  851    HB1  ALA 114           HB3      ALA 114   5.935   7.682   0.551
  852    HB2  ALA 114           HB1      ALA 114   5.245   8.160  -1.009
  853    HB3  ALA 114           HB2      ALA 114   4.510   8.762   0.471
  854    H    ILE 115           H        ILE 115   2.344   7.807   1.638
  855    HA   ILE 115           HA       ILE 115   2.961   6.861   4.139
  856    HB   ILE 115           HB       ILE 115   0.589   7.930   2.811
  857   HG12  ILE 115          HG12      ILE 115   2.436   9.516   3.498
  858   HG13  ILE 115          HG13      ILE 115   0.861   9.875   4.161
  859   HG21  ILE 115          HG21      ILE 115  -0.579   8.070   5.026
  860   HG22  ILE 115          HG22      ILE 115  -0.511   6.496   4.225
  861   HG23  ILE 115          HG23      ILE 115   0.593   6.828   5.584
  862   HD11  ILE 115          HD13      ILE 115   3.059   8.457   5.698
  863   HD12  ILE 115          HD11      ILE 115   2.676  10.181   5.799
  864   HD13  ILE 115          HD12      ILE 115   1.492   8.985   6.347
  865    H    GLN 116           H        GLN 116   0.677   5.652   1.608
  866    HA   GLN 116           HA       GLN 116  -0.171   3.316   3.000
  867    HB2  GLN 116           HB2      GLN 116  -0.303   4.187   0.095
  868    HB3  GLN 116           HB3      GLN 116  -1.030   2.684   0.666
  869    HG2  GLN 116           HG2      GLN 116  -1.681   5.377   1.909
  870    HG3  GLN 116           HG3      GLN 116  -2.560   4.724   0.529
  871   HE21  GLN 116          HE22      GLN 116  -3.807   2.692   0.838
  872   HE22  GLN 116          HE21      GLN 116  -4.324   2.236   2.440
  873    H    ALA 117           H        ALA 117   2.873   3.906   1.999
  874    HA   ALA 117           HA       ALA 117   3.460   1.072   1.539
  875    HB1  ALA 117           HB3      ALA 117   4.340   2.860  -0.164
  876    HB2  ALA 117           HB1      ALA 117   5.430   3.355   1.138
  877    HB3  ALA 117           HB2      ALA 117   5.515   1.713   0.491
  878    H    LEU 118           H        LEU 118   4.548   3.985   3.373
  879    HA   LEU 118           HA       LEU 118   6.060   2.335   5.117
  880    HB2  LEU 118           HB2      LEU 118   6.312   4.231   6.480
  881    HB3  LEU 118           HB3      LEU 118   6.411   4.650   4.741
  882    HG   LEU 118           HG       LEU 118   4.389   5.697   4.727
  883   HD11  LEU 118          HD11      LEU 118   4.158   5.134   7.721
  884   HD12  LEU 118          HD12      LEU 118   3.305   6.479   6.903
  885   HD13  LEU 118          HD13      LEU 118   2.924   4.865   6.479
  886   HD21  LEU 118          HD23      LEU 118   5.183   7.662   5.959
  887   HD22  LEU 118          HD21      LEU 118   6.178   6.620   7.000
  888   HD23  LEU 118          HD22      LEU 118   6.564   6.806   5.285
  889    H    SER 119           H        SER 119   2.683   3.094   5.161
  890    HA   SER 119           HA       SER 119   2.037   2.372   7.776
  891    HB2  SER 119           HB2      SER 119  -0.188   1.694   6.866
  892    HB3  SER 119           HB3      SER 119   0.370   3.273   6.287
  893    HG   SER 119           HG       SER 119  -0.517   1.758   4.682
  894    H    GLU 120           H        GLU 120   3.070   0.200   5.187
  895    HA   GLU 120           HA       GLU 120   2.180  -2.223   6.498
  896    HB2  GLU 120           HB2      GLU 120   4.082  -1.616   4.205
  897    HB3  GLU 120           HB3      GLU 120   3.904  -3.241   4.807
  898    HG2  GLU 120           HG2      GLU 120   1.640  -1.521   3.733
  899    HG3  GLU 120           HG3      GLU 120   2.479  -2.785   2.832
  900    H    LEU 121           H        LEU 121   4.636   0.016   7.045
  901    HA   LEU 121           HA       LEU 121   6.214  -1.946   8.651
  902    HB2  LEU 121           HB2      LEU 121   7.029   0.830   7.737
  903    HB3  LEU 121           HB3      LEU 121   8.043  -0.358   8.563
  904    HG   LEU 121           HG       LEU 121   6.966  -0.427   5.715
  905   HD11  LEU 121          HD11      LEU 121   9.786  -0.294   6.875
  906   HD12  LEU 121          HD12      LEU 121   9.381  -0.414   5.154
  907   HD13  LEU 121          HD13      LEU 121   8.895   1.020   6.068
  908   HD21  LEU 121          HD23      LEU 121   8.645  -2.592   7.073
  909   HD22  LEU 121          HD21      LEU 121   6.950  -2.771   6.570
  910   HD23  LEU 121          HD22      LEU 121   8.201  -2.530   5.357
  911    H    LEU 122           H        LEU 122   5.312   1.557   8.868
  912    HA   LEU 122           HA       LEU 122   5.788   1.632  11.677
  913    HB2  LEU 122           HB2      LEU 122   4.219   3.611  10.034
  914    HB3  LEU 122           HB3      LEU 122   4.927   3.845  11.636
  915    HG   LEU 122           HG       LEU 122   6.354   3.588   8.981
  916   HD11  LEU 122          HD11      LEU 122   6.880   5.673  11.093
  917   HD12  LEU 122          HD12      LEU 122   6.934   5.792   9.318
  918   HD13  LEU 122          HD13      LEU 122   5.385   5.766  10.153
  919   HD21  LEU 122          HD23      LEU 122   7.746   2.217  10.418
  920   HD22  LEU 122          HD21      LEU 122   8.512   3.806  10.325
  921   HD23  LEU 122          HD22      LEU 122   7.589   3.363  11.764
  922    H    CYS 123           H        CYS 123   2.939   0.561   9.984
  923    HA   CYS 123           HA       CYS 123   1.386   0.812  12.510
  924    HB2  CYS 123           HB2      CYS 123   0.253   0.502   9.703
  925    HB3  CYS 123           HB3      CYS 123  -0.633   0.822  11.191
  926    HG   CYS 123           HG       CYS 123  -0.644   2.986   9.750
  927    H    GLU 124           H        GLU 124   3.391  -1.192  11.870
  928    HA   GLU 124           HA       GLU 124   1.730  -3.593  12.285
  929    HB2  GLU 124           HB2      GLU 124   4.013  -3.304  10.306
  930    HB3  GLU 124           HB3      GLU 124   3.534  -4.867  10.970
  931    HG2  GLU 124           HG2      GLU 124   1.723  -2.962   9.461
  932    HG3  GLU 124           HG3      GLU 124   2.516  -4.380   8.763
  933    H    GLU 125           H        GLU 125   2.009  -3.649  14.350
  934    HA   GLU 125           HA       GLU 125   4.279  -2.803  15.768
  935    HB2  GLU 125           HB2      GLU 125   3.322  -3.869  17.716
  936    HB3  GLU 125           HB3      GLU 125   2.076  -3.048  16.779
  937    HG2  GLU 125           HG2      GLU 125   1.392  -5.254  15.799
  938    HG3  GLU 125           HG3      GLU 125   2.607  -6.055  16.797
  939    H    GLU 126           H        GLU 126   3.701  -5.897  14.222
  940    HA   GLU 126           HA       GLU 126   5.767  -7.362  15.543
  941    HB2  GLU 126           HB2      GLU 126   4.739  -7.779  12.701
  942    HB3  GLU 126           HB3      GLU 126   5.587  -8.954  13.717
  943    HG2  GLU 126           HG2      GLU 126   3.655  -8.754  15.359
  944    HG3  GLU 126           HG3      GLU 126   2.823  -7.779  14.135
  945    H    ILE 127           H        ILE 127   5.615  -5.340  12.650
  946    HA   ILE 127           HA       ILE 127   8.359  -5.758  11.817
  947    HB   ILE 127           HB       ILE 127   6.160  -3.903  11.023
  948   HG12  ILE 127          HG12      ILE 127   6.313  -4.938   8.891
  949   HG13  ILE 127          HG13      ILE 127   7.863  -5.700   9.271
  950   HG21  ILE 127          HG21      ILE 127   7.848  -2.351  10.818
  951   HG22  ILE 127          HG22      ILE 127   9.069  -3.568  10.414
  952   HG23  ILE 127          HG23      ILE 127   7.866  -3.105   9.212
  953   HD11  ILE 127          HD13      ILE 127   6.799  -7.299  10.740
  954   HD12  ILE 127          HD11      ILE 127   5.219  -6.474  10.554
  955   HD13  ILE 127          HD12      ILE 127   5.972  -7.308   9.190
  956    H    LEU 128           H        LEU 128   6.589  -3.264  13.702
  957    HA   LEU 128           HA       LEU 128   8.669  -1.450  13.970
  958    HB2  LEU 128           HB2      LEU 128   6.527  -2.196  16.015
  959    HB3  LEU 128           HB3      LEU 128   7.633  -0.851  16.224
  960    HG   LEU 128           HG       LEU 128   5.552  -1.088  14.016
  961   HD11  LEU 128          HD11      LEU 128   5.773   0.724  16.453
  962   HD12  LEU 128          HD12      LEU 128   4.529   0.832  15.187
  963   HD13  LEU 128          HD13      LEU 128   4.615  -0.592  16.227
  964   HD21  LEU 128          HD23      LEU 128   6.279   1.376  13.694
  965   HD22  LEU 128          HD21      LEU 128   7.793   0.894  14.480
  966   HD23  LEU 128          HD22      LEU 128   7.281   0.104  12.976
  967    H    GLU 129           H        GLU 129   8.132  -4.325  16.012
  968    HA   GLU 129           HA       GLU 129  10.294  -3.611  17.723
  969    HB2  GLU 129           HB2      GLU 129   9.809  -5.379  19.000
  970    HB3  GLU 129           HB3      GLU 129   8.269  -5.226  18.167
  971    HG2  GLU 129           HG2      GLU 129   9.047  -7.047  16.582
  972    HG3  GLU 129           HG3      GLU 129  10.514  -7.203  17.563
  973    H    GLN 130           H        GLN 130  10.099  -5.428  14.650
  974    HA   GLN 130           HA       GLN 130  12.674  -6.684  14.984
  975    HB2  GLN 130           HB2      GLN 130  10.717  -6.369  12.685
  976    HB3  GLN 130           HB3      GLN 130  12.285  -7.181  12.505
  977    HG2  GLN 130           HG2      GLN 130  11.731  -8.838  14.167
  978    HG3  GLN 130           HG3      GLN 130  10.220  -8.024  14.565
  979   HE21  GLN 130          HE22      GLN 130   8.429  -8.205  13.164
  980   HE22  GLN 130          HE21      GLN 130   8.373  -9.373  11.846
  981    H    LEU 131           H        LEU 131  11.402  -3.694  13.468
  982    HA   LEU 131           HA       LEU 131  13.949  -2.822  12.369
  983    HB2  LEU 131           HB2      LEU 131  11.597  -1.206  13.416
  984    HB3  LEU 131           HB3      LEU 131  12.934  -0.554  12.480
  985    HG   LEU 131           HG       LEU 131  11.077  -2.731  11.405
  986   HD11  LEU 131          HD11      LEU 131   9.741  -0.967  10.391
  987   HD12  LEU 131          HD12      LEU 131   9.794  -0.790  12.166
  988   HD13  LEU 131          HD13      LEU 131  10.778   0.270  11.126
  989   HD21  LEU 131          HD23      LEU 131  12.723  -0.668   9.917
  990   HD22  LEU 131          HD21      LEU 131  13.224  -2.358  10.183
  991   HD23  LEU 131          HD22      LEU 131  11.784  -1.981   9.216
  992    H    LEU 132           H        LEU 132  12.111  -2.049  15.352
  993    HA   LEU 132           HA       LEU 132  14.044  -0.402  16.526
  994    HB2  LEU 132           HB2      LEU 132  11.908  -2.130  17.775
  995    HB3  LEU 132           HB3      LEU 132  12.959  -1.153  18.777
  996    HG   LEU 132           HG       LEU 132  11.350   0.094  16.516
  997   HD11  LEU 132          HD11      LEU 132   9.695   0.762  18.219
  998   HD12  LEU 132          HD12      LEU 132   9.777  -0.999  18.074
  999   HD13  LEU 132          HD13      LEU 132  10.558  -0.190  19.450
 1000   HD21  LEU 132          HD23      LEU 132  13.239   1.448  17.401
 1001   HD22  LEU 132          HD21      LEU 132  11.674   2.163  17.801
 1002   HD23  LEU 132          HD22      LEU 132  12.579   1.275  19.043
 1003    H    THR 133           H        THR 133  14.141  -3.909  16.418
 1004    HA   THR 133           HA       THR 133  16.439  -3.939  18.278
 1005    HB   THR 133           HB       THR 133  16.035  -6.392  18.307
 1006    HG1  THR 133           HG1      THR 133  13.617  -5.803  16.980
 1007   HG21  THR 133          HG23      THR 133  13.904  -6.349  19.575
 1008   HG22  THR 133          HG21      THR 133  15.002  -5.039  20.057
 1009   HG23  THR 133          HG22      THR 133  13.599  -4.694  19.025
 1010    H    ALA 134           H        ALA 134  16.190  -3.375  15.052
 1011    HA   ALA 134           HA       ALA 134  17.818  -5.284  13.776
 1012    HB1  ALA 134           HB3      ALA 134  16.614  -3.723  12.459
 1013    HB2  ALA 134           HB1      ALA 134  17.449  -2.344  13.225
 1014    HB3  ALA 134           HB2      ALA 134  18.352  -3.437  12.197
 1015    H    SER 135           H        SER 135  19.756  -5.930  14.276
 1016    HA   SER 135           HA       SER 135  21.592  -4.575  15.955
 1017    HB2  SER 135           HB2      SER 135  22.293  -6.775  13.986
 1018    HB3  SER 135           HB3      SER 135  22.913  -6.533  15.623
 1019    HG   SER 135           HG       SER 135  20.964  -7.274  16.439
 1020    H    SER 136           H        SER 136  21.070  -4.655  12.473
 1021    HA   SER 136           HA       SER 136  23.380  -2.867  11.946
 1022    HB2  SER 136           HB2      SER 136  22.779  -5.501  10.521
 1023    HB3  SER 136           HB3      SER 136  24.092  -4.377  10.135
 1024    HG   SER 136           HG       SER 136  24.796  -6.143  11.412
 1025    H    GLU 137           H        GLU 137  23.286  -2.022   9.719
 1026    HA   GLU 137           HA       GLU 137  20.873  -0.812   9.019
 1027    HB2  GLU 137           HB2      GLU 137  23.195  -0.109   8.399
 1028    HB3  GLU 137           HB3      GLU 137  23.336  -1.514   7.337
 1029    HG2  GLU 137           HG2      GLU 137  21.369  -0.458   6.025
 1030    HG3  GLU 137           HG3      GLU 137  21.681   0.986   7.017
 1031    H    LYS 138           H        LYS 138  22.311  -3.874   7.850
 1032    HA   LYS 138           HA       LYS 138  20.669  -4.358   5.662
 1033    HB2  LYS 138           HB2      LYS 138  22.746  -5.562   6.269
 1034    HB3  LYS 138           HB3      LYS 138  21.896  -6.427   7.545
 1035    HG2  LYS 138           HG2      LYS 138  20.884  -6.559   4.683
 1036    HG3  LYS 138           HG3      LYS 138  22.321  -7.468   5.146
 1037    HD2  LYS 138           HD2      LYS 138  21.067  -8.688   6.882
 1038    HD3  LYS 138           HD3      LYS 138  19.614  -7.765   6.512
 1039    HE2  LYS 138           HE2      LYS 138  19.385  -9.872   5.436
 1040    HE3  LYS 138           HE3      LYS 138  19.626  -8.651   4.186
 1041    HZ1  LYS 138           HZ3      LYS 138  20.940 -10.643   3.787
 1042    HZ2  LYS 138           HZ1      LYS 138  21.942  -9.383   4.023
 1043    HZ3  LYS 138           HZ2      LYS 138  21.719 -10.493   5.206
 1044    H    GLN 139           H        GLN 139  19.907  -5.055   9.081
 1045    HA   GLN 139           HA       GLN 139  17.602  -6.662   8.556
 1046    HB2  GLN 139           HB2      GLN 139  18.667  -5.067  10.859
 1047    HB3  GLN 139           HB3      GLN 139  16.977  -5.551  10.932
 1048    HG2  GLN 139           HG2      GLN 139  17.415  -7.670  11.365
 1049    HG3  GLN 139           HG3      GLN 139  18.741  -7.796  10.198
 1050   HE21  GLN 139          HE22      GLN 139  18.263  -8.327  13.380
 1051   HE22  GLN 139          HE21      GLN 139  19.822  -7.827  14.005
 1052    H    LEU 140           H        LEU 140  18.021  -3.105   8.903
 1053    HA   LEU 140           HA       LEU 140  15.199  -2.508   8.939
 1054    HB2  LEU 140           HB2      LEU 140  17.700  -0.906   8.291
 1055    HB3  LEU 140           HB3      LEU 140  16.108  -0.189   8.296
 1056    HG   LEU 140           HG       LEU 140  16.701  -1.711  10.760
 1057   HD11  LEU 140          HD11      LEU 140  18.240  -0.141  11.764
 1058   HD12  LEU 140          HD12      LEU 140  18.962  -0.942  10.374
 1059   HD13  LEU 140          HD13      LEU 140  18.387   0.742  10.220
 1060   HD21  LEU 140          HD23      LEU 140  15.715   0.088  11.910
 1061   HD22  LEU 140          HD21      LEU 140  15.885   1.188  10.518
 1062   HD23  LEU 140          HD22      LEU 140  14.762  -0.186  10.463
 1063    H    ALA 141           H        ALA 141  17.685  -2.361   6.370
 1064    HA   ALA 141           HA       ALA 141  16.023  -1.960   4.172
 1065    HB1  ALA 141           HB3      ALA 141  18.620  -1.957   4.358
 1066    HB2  ALA 141           HB1      ALA 141  18.517  -3.701   4.105
 1067    HB3  ALA 141           HB2      ALA 141  17.902  -2.592   2.857
 1068    H    ASP 142           H        ASP 142  16.603  -5.049   5.850
 1069    HA   ASP 142           HA       ASP 142  15.505  -6.638   3.705
 1070    HB2  ASP 142           HB2      ASP 142  17.143  -7.596   5.228
 1071    HB3  ASP 142           HB3      ASP 142  16.095  -7.286   6.615
 1072    H    ILE 143           H        ILE 143  14.268  -5.266   6.785
 1073    HA   ILE 143           HA       ILE 143  11.747  -6.610   6.723
 1074    HB   ILE 143           HB       ILE 143  12.914  -4.191   8.138
 1075   HG12  ILE 143          HG12      ILE 143  12.021  -6.872   9.315
 1076   HG13  ILE 143          HG13      ILE 143  13.644  -6.646   8.673
 1077   HG21  ILE 143          HG21      ILE 143  10.547  -3.762   8.025
 1078   HG22  ILE 143          HG22      ILE 143  10.168  -5.432   8.518
 1079   HG23  ILE 143          HG23      ILE 143  10.944  -4.309   9.656
 1080   HD11  ILE 143          HD13      ILE 143  13.953  -4.707  10.282
 1081   HD12  ILE 143          HD11      ILE 143  12.425  -5.205  11.053
 1082   HD13  ILE 143          HD12      ILE 143  13.815  -6.309  11.011
 1083    H    ILE 144           H        ILE 144  12.978  -3.582   5.367
 1084    HA   ILE 144           HA       ILE 144  10.681  -2.392   4.308
 1085    HB   ILE 144           HB       ILE 144  13.545  -2.662   3.545
 1086   HG12  ILE 144          HG12      ILE 144  12.510  -1.012   5.238
 1087   HG13  ILE 144          HG13      ILE 144  13.813  -0.527   4.164
 1088   HG21  ILE 144          HG21      ILE 144  13.337  -1.148   1.619
 1089   HG22  ILE 144          HG22      ILE 144  12.758  -2.777   1.319
 1090   HG23  ILE 144          HG23      ILE 144  11.588  -1.466   1.589
 1091   HD11  ILE 144          HD13      ILE 144  12.309   0.677   2.711
 1092   HD12  ILE 144          HD11      ILE 144  10.896   0.070   3.592
 1093   HD13  ILE 144          HD12      ILE 144  12.031   1.190   4.384
 1094    H    SER 145           H        SER 145  12.499  -5.170   2.946
 1095    HA   SER 145           HA       SER 145  11.148  -5.177   0.475
 1096    HB2  SER 145           HB2      SER 145  12.543  -7.507   1.862
 1097    HB3  SER 145           HB3      SER 145  12.257  -7.316   0.124
 1098    HG   SER 145           HG       SER 145  14.370  -6.681   0.713
 1099    H    ARG 146           H        ARG 146  10.050  -6.481   3.607
 1100    HA   ARG 146           HA       ARG 146   8.303  -8.446   2.868
 1101    HB2  ARG 146           HB2      ARG 146   9.056  -7.323   5.161
 1102    HB3  ARG 146           HB3      ARG 146   7.680  -6.241   4.875
 1103    HG2  ARG 146           HG2      ARG 146   6.403  -8.521   4.472
 1104    HG3  ARG 146           HG3      ARG 146   7.849  -9.205   5.230
 1105    HD2  ARG 146           HD2      ARG 146   6.022  -8.885   6.901
 1106    HD3  ARG 146           HD3      ARG 146   7.423  -7.877   7.267
 1107    HE   ARG 146           HE       ARG 146   6.164  -6.003   6.998
 1108   HH11  ARG 146          HH11      ARG 146   4.366  -8.607   5.370
 1109   HH12  ARG 146          HH12      ARG 146   2.968  -7.631   5.091
 1110   HH21  ARG 146          HH21      ARG 146   4.256  -4.753   6.708
 1111   HH22  ARG 146          HH22      ARG 146   2.964  -5.364   5.729
 1112    H    GLY 147           H        GLY 147   8.011  -4.950   2.435
 1113    HA2  GLY 147           HA2      GLY 147   5.105  -5.137   1.835
 1114    HA3  GLY 147           HA3      GLY 147   6.040  -3.682   2.185
  Start of MODEL   11
    1    H    MET   1           H1       MET   1   1.706  -1.924  -0.472
    2    HA   MET   1           HA       MET   1   2.456  -2.880  -3.148
    3    HB2  MET   1           HB2      MET   1   3.010  -0.588  -3.739
    4    HB3  MET   1           HB3      MET   1   1.286  -0.687  -3.365
    5    HG2  MET   1           HG2      MET   1   3.458   0.327  -1.481
    6    HG3  MET   1           HG3      MET   1   2.489   1.354  -2.517
    7    HE1  MET   1           HE3      MET   1   0.365   2.504  -1.823
    8    HE2  MET   1           HE1      MET   1  -0.397   0.987  -2.360
    9    HE3  MET   1           HE2      MET   1  -0.880   1.732  -0.820
   10    H    ARG   2           H        ARG   2   4.614  -2.419  -3.818
   11    HA   ARG   2           HA       ARG   2   6.285  -3.423  -1.756
   12    HB2  ARG   2           HB2      ARG   2   6.862  -2.508  -4.607
   13    HB3  ARG   2           HB3      ARG   2   8.133  -3.125  -3.555
   14    HG2  ARG   2           HG2      ARG   2   5.588  -4.646  -4.247
   15    HG3  ARG   2           HG3      ARG   2   7.130  -4.871  -5.072
   16    HD2  ARG   2           HD2      ARG   2   6.751  -5.298  -2.077
   17    HD3  ARG   2           HD3      ARG   2   6.521  -6.553  -3.272
   18    HE   ARG   2           HE       ARG   2   8.793  -6.570  -3.823
   19   HH11  ARG   2          HH11      ARG   2   8.298  -4.548  -0.882
   20   HH12  ARG   2          HH12      ARG   2   9.980  -4.169  -0.766
   21   HH21  ARG   2          HH21      ARG   2  11.010  -6.109  -3.509
   22   HH22  ARG   2          HH22      ARG   2  11.485  -4.980  -2.276
   23    H    LEU   3           H        LEU   3   7.095  -2.401  -0.172
   24    HA   LEU   3           HA       LEU   3   7.339   0.449  -0.013
   25    HB2  LEU   3           HB2      LEU   3   8.680  -1.780   1.531
   26    HB3  LEU   3           HB3      LEU   3   9.075  -0.076   1.762
   27    HG   LEU   3           HG       LEU   3   7.447  -1.219   3.385
   28   HD11  LEU   3          HD11      LEU   3   6.325   0.884   3.761
   29   HD12  LEU   3          HD12      LEU   3   8.009   1.174   3.365
   30   HD13  LEU   3          HD13      LEU   3   6.752   1.473   2.138
   31   HD21  LEU   3          HD23      LEU   3   5.083  -1.079   2.897
   32   HD22  LEU   3          HD21      LEU   3   5.406  -0.542   1.239
   33   HD23  LEU   3          HD22      LEU   3   5.857  -2.168   1.746
   34    H    SER   4           H        SER   4   9.656  -2.094  -1.093
   35    HA   SER   4           HA       SER   4  11.944  -0.567  -1.258
   36    HB2  SER   4           HB2      SER   4  10.982  -2.742  -3.159
   37    HB3  SER   4           HB3      SER   4  12.669  -2.227  -2.953
   38    HG   SER   4           HG       SER   4  12.730  -3.136  -1.023
   39    H    ASP   5           H        ASP   5   9.050  -0.008  -3.155
   40    HA   ASP   5           HA       ASP   5  10.273   1.250  -5.398
   41    HB2  ASP   5           HB2      ASP   5   7.874   0.562  -5.267
   42    HB3  ASP   5           HB3      ASP   5   7.593   1.830  -4.074
   43    H    TYR   6           H        TYR   6   9.960   2.334  -2.070
   44    HA   TYR   6           HA       TYR   6  10.289   5.169  -2.883
   45    HB2  TYR   6           HB2      TYR   6   9.612   4.024  -0.161
   46    HB3  TYR   6           HB3      TYR   6   9.545   5.710  -0.633
   47    HD1  TYR   6           HD1      TYR   6   7.734   6.630  -1.932
   48    HD2  TYR   6           HD2      TYR   6   7.788   2.467  -0.768
   49    HE1  TYR   6           HE1      TYR   6   5.411   6.366  -2.763
   50    HE2  TYR   6           HE2      TYR   6   5.473   2.201  -1.594
   51    HH   TYR   6           HH       TYR   6   3.637   3.258  -2.603
   52    H    PHE   7           H        PHE   7  12.325   2.637  -1.554
   53    HA   PHE   7           HA       PHE   7  13.933   4.673  -0.058
   54    HB2  PHE   7           HB2      PHE   7  13.919   1.674   0.284
   55    HB3  PHE   7           HB3      PHE   7  14.902   2.815   1.183
   56    HD1  PHE   7           HD2      PHE   7  11.366   2.054   0.371
   57    HD2  PHE   7           HD1      PHE   7  14.045   3.487   3.402
   58    HE1  PHE   7           HE2      PHE   7   9.438   2.413   1.869
   59    HE2  PHE   7           HE1      PHE   7  12.096   3.924   4.871
   60    HZ   PHE   7           HZ       PHE   7   9.804   3.406   4.125
   61    HA   PRO   8           HA       PRO   8  16.155   4.175  -3.957
   62    HB2  PRO   8           HB2      PRO   8  18.108   6.139  -3.594
   63    HB3  PRO   8           HB3      PRO   8  16.452   6.384  -4.210
   64    HG2  PRO   8           HG2      PRO   8  17.439   6.717  -1.363
   65    HG3  PRO   8           HG3      PRO   8  16.402   7.833  -2.310
   66    HD2  PRO   8           HD2      PRO   8  15.283   6.145  -0.570
   67    HD3  PRO   8           HD3      PRO   8  14.549   6.351  -2.181
   68    H    GLU   9           H        GLU   9  18.469   4.842  -1.311
   69    HA   GLU   9           HA       GLU   9  19.755   2.280  -1.515
   70    HB2  GLU   9           HB2      GLU   9  20.579   3.230  -3.634
   71    HB3  GLU   9           HB3      GLU   9  21.050   4.716  -2.817
   72    HG2  GLU   9           HG2      GLU   9  22.850   3.577  -1.648
   73    HG3  GLU   9           HG3      GLU   9  22.265   1.995  -2.178
   74    H    SER  10           H        SER  10  21.174   5.478  -0.881
   75    HA   SER  10           HA       SER  10  22.227   4.735   1.632
   76    HB2  SER  10           HB2      SER  10  21.564   7.576   0.789
   77    HB3  SER  10           HB3      SER  10  22.946   7.013   1.740
   78    HG   SER  10           HG       SER  10  23.762   6.038  -0.155
   79    H    SER  11           H        SER  11  19.072   4.741   1.050
   80    HA   SER  11           HA       SER  11  17.949   6.752   2.783
   81    HB2  SER  11           HB2      SER  11  15.902   5.074   2.257
   82    HB3  SER  11           HB3      SER  11  16.521   6.283   1.128
   83    HG   SER  11           HG       SER  11  17.051   3.490   1.131
   84    H    ILE  12           H        ILE  12  19.380   3.673   3.498
   85    HA   ILE  12           HA       ILE  12  17.662   3.299   5.873
   86    HB   ILE  12           HB       ILE  12  19.162   1.354   4.102
   87   HG12  ILE  12          HG12      ILE  12  16.266   2.276   4.296
   88   HG13  ILE  12          HG13      ILE  12  17.299   2.150   2.872
   89   HG21  ILE  12          HG21      ILE  12  19.079   0.722   6.520
   90   HG22  ILE  12          HG22      ILE  12  17.316   0.914   6.489
   91   HG23  ILE  12          HG23      ILE  12  18.122  -0.360   5.529
   92   HD11  ILE  12          HD13      ILE  12  16.006  -0.081   4.410
   93   HD12  ILE  12          HD11      ILE  12  15.673   0.444   2.744
   94   HD13  ILE  12          HD12      ILE  12  17.225  -0.334   3.117
   95    H    SER  13           H        SER  13  18.818   3.494   7.836
   96    HA   SER  13           HA       SER  13  21.726   3.041   7.898
   97    HB2  SER  13           HB2      SER  13  20.477   5.783   8.394
   98    HB3  SER  13           HB3      SER  13  22.133   5.339   8.838
   99    HG   SER  13           HG       SER  13  21.526   4.716   6.252
  100    H    VAL  14           H        VAL  14  22.539   2.769   9.905
  101    HA   VAL  14           HA       VAL  14  20.720   2.994  12.245
  102    HB   VAL  14           HB       VAL  14  22.895   0.936  11.739
  103   HG11  VAL  14          HG11      VAL  14  22.862   1.548  14.131
  104   HG12  VAL  14          HG12      VAL  14  21.097   1.343  14.183
  105   HG13  VAL  14          HG13      VAL  14  22.161  -0.056  13.917
  106   HG21  VAL  14          HG23      VAL  14  20.816   0.382  10.545
  107   HG22  VAL  14          HG21      VAL  14  21.019  -0.709  11.920
  108   HG23  VAL  14          HG22      VAL  14  19.871   0.639  12.024
  109    H    ILE  15           H        ILE  15  21.633   4.092  13.966
  110    HA   ILE  15           HA       ILE  15  24.265   5.438  13.573
  111    HB   ILE  15           HB       ILE  15  21.451   6.501  13.929
  112   HG12  ILE  15          HG12      ILE  15  23.724   7.051  11.989
  113   HG13  ILE  15          HG13      ILE  15  22.150   6.324  11.652
  114   HG21  ILE  15          HG21      ILE  15  23.933   8.088  14.615
  115   HG22  ILE  15          HG22      ILE  15  22.282   8.742  14.457
  116   HG23  ILE  15          HG23      ILE  15  22.587   7.574  15.688
  117   HD11  ILE  15          HD13      ILE  15  21.090   8.551  12.274
  118   HD12  ILE  15          HD11      ILE  15  22.733   9.232  12.339
  119   HD13  ILE  15          HD12      ILE  15  22.110   8.570  10.815
  120    H    HIS  16           H        HIS  16  25.360   5.904  15.507
  121    HA   HIS  16           HA       HIS  16  24.683   4.314  17.806
  122    HB2  HIS  16           HB2      HIS  16  26.593   5.570  18.859
  123    HB3  HIS  16           HB3      HIS  16  26.969   4.715  17.369
  124    HD1  HIS  16           HD1      HIS  16  26.155   8.424  18.361
  125    HD2  HIS  16           HD2      HIS  16  28.261   6.058  15.572
  126    HE1  HIS  16           HE1      HIS  16  27.441  10.035  16.878
  127    H    SER  17           H        SER  17  24.133   7.724  16.951
  128    HA   SER  17           HA       SER  17  22.014   8.180  18.736
  129    HB2  SER  17           HB2      SER  17  23.315   9.978  20.106
  130    HB3  SER  17           HB3      SER  17  23.383   8.303  20.636
  131    HG   SER  17           HG       SER  17  25.436   9.425  20.583
  132    H    ALA  18           H        ALA  18  21.175  10.347  18.208
  133    HA   ALA  18           HA       ALA  18  22.410  11.582  15.820
  134    HB1  ALA  18           HB3      ALA  18  19.950  12.328  17.465
  135    HB2  ALA  18           HB1      ALA  18  20.541  13.210  16.043
  136    HB3  ALA  18           HB2      ALA  18  19.989  11.550  15.854
  137    H    LYS  19           H        LYS  19  23.231  13.732  15.905
  138    HA   LYS  19           HA       LYS  19  24.832  14.461  18.118
  139    HB2  LYS  19           HB2      LYS  19  24.711  15.206  15.548
  140    HB3  LYS  19           HB3      LYS  19  23.706  16.487  16.180
  141    HG2  LYS  19           HG2      LYS  19  25.827  17.429  16.064
  142    HG3  LYS  19           HG3      LYS  19  25.595  17.089  17.778
  143    HD2  LYS  19           HD2      LYS  19  27.876  16.545  17.019
  144    HD3  LYS  19           HD3      LYS  19  27.039  15.106  17.592
  145    HE2  LYS  19           HE2      LYS  19  28.318  14.637  15.555
  146    HE3  LYS  19           HE3      LYS  19  26.583  14.388  15.307
  147    HZ1  LYS  19           HZ3      LYS  19  27.770  15.569  13.488
  148    HZ2  LYS  19           HZ1      LYS  19  26.440  16.337  14.019
  149    HZ3  LYS  19           HZ2      LYS  19  27.950  16.865  14.459
  150    H    ASP  20           H        ASP  20  21.603  15.495  17.099
  151    HA   ASP  20           HA       ASP  20  20.532  15.810  19.711
  152    HB2  ASP  20           HB2      ASP  20  20.028  18.033  19.820
  153    HB3  ASP  20           HB3      ASP  20  21.741  18.092  19.384
  154    H    TRP  21           H        TRP  21  18.266  16.786  19.343
  155    HA   TRP  21           HA       TRP  21  16.790  15.263  17.595
  156    HB2  TRP  21           HB2      TRP  21  15.133  17.344  18.206
  157    HB3  TRP  21           HB3      TRP  21  15.467  15.960  19.241
  158    HD1  TRP  21           HD1      TRP  21  16.443  19.605  18.790
  159    HE1  TRP  21           HE1      TRP  21  17.437  20.565  20.936
  160    HE3  TRP  21           HE3      TRP  21  16.934  15.264  21.370
  161    HZ2  TRP  21           HZ2      TRP  21  18.450  19.522  23.457
  162    HZ3  TRP  21           HZ3      TRP  21  18.055  15.235  23.589
  163    HH2  TRP  21           HH2      TRP  21  18.800  17.357  24.644
  164    H    GLN  22           H        GLN  22  18.133  18.575  16.953
  165    HA   GLN  22           HA       GLN  22  16.683  18.972  14.470
  166    HB2  GLN  22           HB2      GLN  22  19.385  20.020  15.361
  167    HB3  GLN  22           HB3      GLN  22  18.521  20.525  13.919
  168    HG2  GLN  22           HG2      GLN  22  16.751  21.516  15.142
  169    HG3  GLN  22           HG3      GLN  22  17.211  20.735  16.655
  170   HE21  GLN  22          HE22      GLN  22  19.428  21.246  17.509
  171   HE22  GLN  22          HE21      GLN  22  19.963  22.929  17.403
  172    H    GLU  23           H        GLU  23  19.974  17.623  15.265
  173    HA   GLU  23           HA       GLU  23  20.612  16.805  12.645
  174    HB2  GLU  23           HB2      GLU  23  22.055  16.863  14.820
  175    HB3  GLU  23           HB3      GLU  23  21.391  15.245  15.111
  176    HG2  GLU  23           HG2      GLU  23  23.280  14.637  13.982
  177    HG3  GLU  23           HG3      GLU  23  22.240  14.819  12.600
  178    H    ALA  24           H        ALA  24  18.620  15.217  15.109
  179    HA   ALA  24           HA       ALA  24  18.569  12.645  13.892
  180    HB1  ALA  24           HB3      ALA  24  17.977  13.287  16.239
  181    HB2  ALA  24           HB1      ALA  24  16.420  13.899  15.646
  182    HB3  ALA  24           HB2      ALA  24  16.817  12.175  15.466
  183    H    ILE  25           H        ILE  25  16.511  15.553  13.420
  184    HA   ILE  25           HA       ILE  25  14.785  14.317  11.438
  185    HB   ILE  25           HB       ILE  25  15.606  17.235  11.618
  186   HG12  ILE  25          HG12      ILE  25  14.148  15.803  13.614
  187   HG13  ILE  25          HG13      ILE  25  14.570  17.508  13.530
  188   HG21  ILE  25          HG21      ILE  25  13.180  15.910  10.343
  189   HG22  ILE  25          HG22      ILE  25  13.528  17.655  10.381
  190   HG23  ILE  25          HG23      ILE  25  14.576  16.591   9.494
  191   HD11  ILE  25          HD13      ILE  25  12.057  16.206  12.447
  192   HD12  ILE  25          HD11      ILE  25  12.198  17.200  13.904
  193   HD13  ILE  25          HD12      ILE  25  12.445  17.942  12.313
  194    H    ASP  26           H        ASP  26  17.845  16.193  11.385
  195    HA   ASP  26           HA       ASP  26  18.123  16.410   8.613
  196    HB2  ASP  26           HB2      ASP  26  19.526  17.392  10.622
  197    HB3  ASP  26           HB3      ASP  26  20.566  15.994  10.344
  198    H    PHE  27           H        PHE  27  19.306  13.780  10.758
  199    HA   PHE  27           HA       PHE  27  20.268  12.129   8.632
  200    HB2  PHE  27           HB2      PHE  27  19.657  11.712  11.568
  201    HB3  PHE  27           HB3      PHE  27  20.007  10.342  10.533
  202    HD1  PHE  27           HD1      PHE  27  22.109  10.753   8.859
  203    HD2  PHE  27           HD2      PHE  27  21.626  12.504  12.795
  204    HE1  PHE  27           HE1      PHE  27  24.563  10.980   9.071
  205    HE2  PHE  27           HE2      PHE  27  24.078  12.665  12.998
  206    HZ   PHE  27           HZ       PHE  27  25.556  11.928  11.147
  207    H    SER  28           H        SER  28  16.983  12.566   9.982
  208    HA   SER  28           HA       SER  28  15.880  10.176   8.774
  209    HB2  SER  28           HB2      SER  28  14.424  12.806   9.397
  210    HB3  SER  28           HB3      SER  28  13.698  11.245   9.105
  211    HG   SER  28           HG       SER  28  15.492  11.856  11.250
  212    H    MET  29           H        MET  29  16.949  13.267   7.514
  213    HA   MET  29           HA       MET  29  15.436  12.784   4.980
  214    HB2  MET  29           HB2      MET  29  16.525  15.343   6.138
  215    HB3  MET  29           HB3      MET  29  15.411  15.141   4.767
  216    HG2  MET  29           HG2      MET  29  14.492  14.315   7.498
  217    HG3  MET  29           HG3      MET  29  14.593  16.010   7.070
  218    HE1  MET  29           HE3      MET  29  11.617  12.981   5.602
  219    HE2  MET  29           HE1      MET  29  13.378  12.689   5.409
  220    HE3  MET  29           HE2      MET  29  12.677  12.937   7.038
  221    H    VAL  30           H        VAL  30  18.776  13.300   6.141
  222    HA   VAL  30           HA       VAL  30  19.764  14.598   3.941
  223    HB   VAL  30           HB       VAL  30  20.988  14.279   6.034
  224   HG11  VAL  30          HG11      VAL  30  21.698  11.479   5.051
  225   HG12  VAL  30          HG12      VAL  30  22.269  12.278   6.529
  226   HG13  VAL  30          HG13      VAL  30  20.564  11.824   6.371
  227   HG21  VAL  30          HG23      VAL  30  23.223  14.140   5.071
  228   HG22  VAL  30          HG21      VAL  30  22.586  13.358   3.607
  229   HG23  VAL  30          HG22      VAL  30  22.147  15.032   3.977
  230    H    SER  31           H        SER  31  19.287  11.024   4.163
  231    HA   SER  31           HA       SER  31  20.694  10.418   1.814
  232    HB2  SER  31           HB2      SER  31  18.178   9.041   2.849
  233    HB3  SER  31           HB3      SER  31  19.510   8.324   1.919
  234    HG   SER  31           HG       SER  31  20.207   7.841   3.844
  235    H    LEU  32           H        LEU  32  17.466  11.780   2.256
  236    HA   LEU  32           HA       LEU  32  16.691  11.457  -0.562
  237    HB2  LEU  32           HB2      LEU  32  15.461  12.914   1.827
  238    HB3  LEU  32           HB3      LEU  32  14.757  12.972   0.238
  239    HG   LEU  32           HG       LEU  32  15.242  10.393   1.780
  240   HD11  LEU  32          HD11      LEU  32  13.605  11.820   2.938
  241   HD12  LEU  32          HD12      LEU  32  12.664  11.979   1.440
  242   HD13  LEU  32          HD13      LEU  32  12.827  10.398   2.234
  243   HD21  LEU  32          HD23      LEU  32  13.755   9.349   0.174
  244   HD22  LEU  32          HD21      LEU  32  13.526  10.884  -0.692
  245   HD23  LEU  32          HD22      LEU  32  15.102  10.053  -0.690
  246    H    LEU  33           H        LEU  33  17.882  14.014   1.673
  247    HA   LEU  33           HA       LEU  33  17.814  16.171  -0.074
  248    HB2  LEU  33           HB2      LEU  33  18.384  16.158   2.398
  249    HB3  LEU  33           HB3      LEU  33  19.987  15.584   1.960
  250    HG   LEU  33           HG       LEU  33  20.341  17.676   0.621
  251   HD11  LEU  33          HD11      LEU  33  17.733  18.575   1.911
  252   HD12  LEU  33          HD12      LEU  33  18.869  19.596   1.001
  253   HD13  LEU  33          HD13      LEU  33  18.014  18.319   0.173
  254   HD21  LEU  33          HD23      LEU  33  21.203  17.368   2.898
  255   HD22  LEU  33          HD21      LEU  33  20.831  19.049   2.536
  256   HD23  LEU  33          HD22      LEU  33  19.727  18.096   3.555
  257    H    ASP  34           H        ASP  34  20.326  13.693   0.371
  258    HA   ASP  34           HA       ASP  34  22.342  14.868  -1.173
  259    HB2  ASP  34           HB2      ASP  34  22.722  13.140   0.528
  260    HB3  ASP  34           HB3      ASP  34  21.820  11.958  -0.416
  261    H    LYS  35           H        LYS  35  19.656  12.824  -2.230
  262    HA   LYS  35           HA       LYS  35  20.776  12.898  -5.009
  263    HB2  LYS  35           HB2      LYS  35  18.230  11.509  -4.474
  264    HB3  LYS  35           HB3      LYS  35  19.486  11.122  -5.624
  265    HG2  LYS  35           HG2      LYS  35  19.419  10.519  -2.655
  266    HG3  LYS  35           HG3      LYS  35  19.221   9.367  -3.965
  267    HD2  LYS  35           HD2      LYS  35  21.543   9.562  -4.625
  268    HD3  LYS  35           HD3      LYS  35  21.808  10.879  -3.459
  269    HE2  LYS  35           HE2      LYS  35  20.991   9.318  -1.639
  270    HE3  LYS  35           HE3      LYS  35  21.022   7.999  -2.815
  271    HZ1  LYS  35           HZ3      LYS  35  23.363   9.640  -2.015
  272    HZ2  LYS  35           HZ1      LYS  35  23.069   8.088  -1.525
  273    HZ3  LYS  35           HZ2      LYS  35  23.408   8.399  -3.095
  274    H    ASN  36           H        ASN  36  19.455  15.116  -3.295
  275    HA   ASN  36           HA       ASN  36  17.863  16.603  -3.307
  276    HB2  ASN  36           HB2      ASN  36  17.482  17.951  -5.330
  277    HB3  ASN  36           HB3      ASN  36  19.130  17.761  -4.784
  278   HD21  ASN  36          HD22      ASN  36  20.519  16.280  -5.910
  279   HD22  ASN  36          HD21      ASN  36  20.290  15.991  -7.627
  280    H    TYR  37           H        TYR  37  16.610  14.274  -2.932
  281    HA   TYR  37           HA       TYR  37  14.115  14.189  -4.496
  282    HB2  TYR  37           HB2      TYR  37  15.053  12.992  -1.864
  283    HB3  TYR  37           HB3      TYR  37  13.372  12.940  -2.318
  284    HD1  TYR  37           HD2      TYR  37  12.538  11.479  -4.022
  285    HD2  TYR  37           HD1      TYR  37  16.700  11.428  -2.910
  286    HE1  TYR  37           HE2      TYR  37  12.874   9.462  -5.419
  287    HE2  TYR  37           HE1      TYR  37  17.019   9.378  -4.260
  288    HH   TYR  37           HH       TYR  37  16.070   7.891  -5.791
  289    H    ILE  38           H        ILE  38  15.497  16.137  -2.018
  290    HA   ILE  38           HA       ILE  38  13.020  17.694  -1.633
  291    HB   ILE  38           HB       ILE  38  13.569  17.834   0.816
  292   HG12  ILE  38          HG12      ILE  38  15.450  15.502   0.244
  293   HG13  ILE  38          HG13      ILE  38  15.944  17.157   0.631
  294   HG21  ILE  38          HG21      ILE  38  12.582  15.741   1.527
  295   HG22  ILE  38          HG22      ILE  38  11.766  16.320   0.086
  296   HG23  ILE  38          HG23      ILE  38  12.950  14.988  -0.030
  297   HD11  ILE  38          HD13      ILE  38  14.526  15.225   2.475
  298   HD12  ILE  38          HD11      ILE  38  16.185  15.819   2.539
  299   HD13  ILE  38          HD12      ILE  38  14.833  16.950   2.830
  300    H    SER  39           H        SER  39  13.646  19.735  -0.422
  301    HA   SER  39           HA       SER  39  16.335  20.787  -1.178
  302    HB2  SER  39           HB2      SER  39  13.870  22.368  -0.376
  303    HB3  SER  39           HB3      SER  39  15.299  22.940  -1.251
  304    HG   SER  39           HG       SER  39  13.261  21.166  -2.163
  305    H    GLU  40           H        GLU  40  17.364  22.163   0.577
  306    HA   GLU  40           HA       GLU  40  17.308  20.889   3.097
  307    HB2  GLU  40           HB2      GLU  40  18.308  23.663   2.327
  308    HB3  GLU  40           HB3      GLU  40  18.639  22.863   3.870
  309    HG2  GLU  40           HG2      GLU  40  19.751  20.991   2.658
  310    HG3  GLU  40           HG3      GLU  40  19.475  21.811   1.128
  311    H    ASN  41           H        ASN  41  15.490  23.737   1.971
  312    HA   ASN  41           HA       ASN  41  14.432  24.509   4.497
  313    HB2  ASN  41           HB2      ASN  41  12.580  25.565   3.124
  314    HB3  ASN  41           HB3      ASN  41  14.222  26.078   2.777
  315   HD21  ASN  41          HD22      ASN  41  11.495  24.040   1.463
  316   HD22  ASN  41          HD21      ASN  41  12.107  24.147  -0.166
  317    H    TYR  42           H        TYR  42  13.553  21.739   2.483
  318    HA   TYR  42           HA       TYR  42  10.919  21.299   3.594
  319    HB2  TYR  42           HB2      TYR  42  11.807  20.222   1.519
  320    HB3  TYR  42           HB3      TYR  42  12.986  19.358   2.492
  321    HD1  TYR  42           HD1      TYR  42   9.392  19.590   1.661
  322    HD2  TYR  42           HD2      TYR  42  12.456  17.399   3.765
  323    HE1  TYR  42           HE1      TYR  42   7.862  17.641   1.871
  324    HE2  TYR  42           HE2      TYR  42  10.939  15.452   3.947
  325    HH   TYR  42           HH       TYR  42   8.915  14.531   3.297
  326    H    ILE  43           H        ILE  43  14.217  20.206   4.409
  327    HA   ILE  43           HA       ILE  43  13.640  18.558   6.610
  328    HB   ILE  43           HB       ILE  43  16.130  20.193   6.094
  329   HG12  ILE  43          HG12      ILE  43  15.122  17.492   5.113
  330   HG13  ILE  43          HG13      ILE  43  15.521  18.900   4.121
  331   HG21  ILE  43          HG21      ILE  43  15.817  17.611   7.669
  332   HG22  ILE  43          HG22      ILE  43  17.267  18.617   7.492
  333   HG23  ILE  43          HG23      ILE  43  15.878  19.215   8.405
  334   HD11  ILE  43          HD13      ILE  43  17.859  18.715   4.725
  335   HD12  ILE  43          HD11      ILE  43  17.494  17.245   5.668
  336   HD13  ILE  43          HD12      ILE  43  17.206  17.259   3.918
  337    H    GLN  44           H        GLN  44  14.568  22.063   6.472
  338    HA   GLN  44           HA       GLN  44  14.373  22.325   9.290
  339    HB2  GLN  44           HB2      GLN  44  15.677  23.788   7.542
  340    HB3  GLN  44           HB3      GLN  44  14.184  24.722   7.471
  341    HG2  GLN  44           HG2      GLN  44  15.703  25.733   9.092
  342    HG3  GLN  44           HG3      GLN  44  14.321  25.075   9.954
  343   HE21  GLN  44          HE22      GLN  44  15.074  24.274  11.952
  344   HE22  GLN  44          HE21      GLN  44  16.457  23.228  12.133
  345    H    ALA  45           H        ALA  45  11.855  22.588   6.825
  346    HA   ALA  45           HA       ALA  45   9.910  23.947   8.347
  347    HB1  ALA  45           HB3      ALA  45   9.627  23.246   5.947
  348    HB2  ALA  45           HB1      ALA  45   9.393  21.564   6.502
  349    HB3  ALA  45           HB2      ALA  45   8.248  22.812   6.979
  350    H    ILE  46           H        ILE  46  10.939  20.491   8.446
  351    HA   ILE  46           HA       ILE  46   8.861  19.695  10.286
  352    HB   ILE  46           HB       ILE  46  11.563  18.369   9.868
  353   HG12  ILE  46          HG12      ILE  46   9.132  17.642   8.239
  354   HG13  ILE  46          HG13      ILE  46  10.342  18.751   7.632
  355   HG21  ILE  46          HG21      ILE  46  10.155  17.603  11.775
  356   HG22  ILE  46          HG22      ILE  46   8.821  17.269  10.651
  357   HG23  ILE  46          HG23      ILE  46  10.327  16.341  10.553
  358   HD11  ILE  46          HD13      ILE  46  12.105  17.100   7.787
  359   HD12  ILE  46          HD11      ILE  46  10.998  15.893   8.449
  360   HD13  ILE  46          HD12      ILE  46  10.759  16.495   6.805
  361    H    LYS  47           H        LYS  47  12.366  20.529  10.547
  362    HA   LYS  47           HA       LYS  47  12.581  20.022  13.305
  363    HB2  LYS  47           HB2      LYS  47  14.036  22.013  11.523
  364    HB3  LYS  47           HB3      LYS  47  14.544  21.678  13.177
  365    HG2  LYS  47           HG2      LYS  47  15.232  19.449  12.638
  366    HG3  LYS  47           HG3      LYS  47  14.453  19.517  11.040
  367    HD2  LYS  47           HD2      LYS  47  15.955  21.234  10.304
  368    HD3  LYS  47           HD3      LYS  47  16.738  21.324  11.899
  369    HE2  LYS  47           HE2      LYS  47  17.762  19.176  11.589
  370    HE3  LYS  47           HE3      LYS  47  16.832  18.860  10.128
  371    HZ1  LYS  47           HZ3      LYS  47  18.999  19.600   9.459
  372    HZ2  LYS  47           HZ1      LYS  47  18.013  20.869   9.171
  373    HZ3  LYS  47           HZ2      LYS  47  18.976  20.882  10.482
  374    H    ASP  48           H        ASP  48  11.661  23.059  11.586
  375    HA   ASP  48           HA       ASP  48  11.655  24.776  13.805
  376    HB2  ASP  48           HB2      ASP  48  11.542  25.585  11.519
  377    HB3  ASP  48           HB3      ASP  48   9.973  24.809  11.274
  378    H    SER  49           H        SER  49   8.856  22.877  12.457
  379    HA   SER  49           HA       SER  49   6.998  23.664  14.462
  380    HB2  SER  49           HB2      SER  49   7.149  21.060  12.887
  381    HB3  SER  49           HB3      SER  49   5.715  21.744  13.679
  382    HG   SER  49           HG       SER  49   5.807  22.212  11.425
  383    H    THR  50           H        THR  50   9.274  20.889  14.289
  384    HA   THR  50           HA       THR  50   8.537  19.642  16.677
  385    HB   THR  50           HB       THR  50  11.261  19.716  15.335
  386    HG1  THR  50           HG1      THR  50   9.782  19.043  13.864
  387   HG21  THR  50          HG23      THR  50  11.441  18.667  17.524
  388   HG22  THR  50          HG21      THR  50   9.976  17.709  17.226
  389   HG23  THR  50          HG22      THR  50  11.443  17.412  16.271
  390    H    ILE  51           H        ILE  51  10.920  22.301  16.164
  391    HA   ILE  51           HA       ILE  51  11.742  22.468  18.915
  392    HB   ILE  51           HB       ILE  51  11.879  24.340  16.520
  393   HG12  ILE  51          HG12      ILE  51  14.159  22.922  17.974
  394   HG13  ILE  51          HG13      ILE  51  13.277  22.149  16.668
  395   HG21  ILE  51          HG21      ILE  51  13.492  25.746  17.800
  396   HG22  ILE  51          HG22      ILE  51  11.881  25.805  18.484
  397   HG23  ILE  51          HG23      ILE  51  13.130  24.806  19.264
  398   HD11  ILE  51          HD13      ILE  51  13.874  24.049  15.144
  399   HD12  ILE  51          HD11      ILE  51  14.910  24.706  16.434
  400   HD13  ILE  51          HD12      ILE  51  15.259  23.122  15.739
  401    H    ASN  52           H        ASN  52   9.183  24.078  16.987
  402    HA   ASN  52           HA       ASN  52   8.627  26.187  18.757
  403    HB2  ASN  52           HB2      ASN  52   7.212  24.860  16.471
  404    HB3  ASN  52           HB3      ASN  52   6.160  25.688  17.581
  405   HD21  ASN  52          HD22      ASN  52   9.039  26.166  15.520
  406   HD22  ASN  52          HD21      ASN  52   8.841  27.893  15.333
  407    H    ASN  53           H        ASN  53   7.423  22.880  18.778
  408    HA   ASN  53           HA       ASN  53   5.880  23.364  21.290
  409    HB2  ASN  53           HB2      ASN  53   4.243  23.899  19.682
  410    HB3  ASN  53           HB3      ASN  53   4.871  22.750  18.511
  411   HD21  ASN  53          HD22      ASN  53   3.103  21.620  18.057
  412   HD22  ASN  53          HD21      ASN  53   2.217  20.631  19.209
  413    H    GLY  54           H        GLY  54   6.555  20.909  18.703
  414    HA2  GLY  54           HA2      GLY  54   8.139  19.164  20.049
  415    HA3  GLY  54           HA3      GLY  54   6.501  18.680  20.544
  416    HA   PRO  55           HA       PRO  55   7.711  16.855  16.276
  417    HB2  PRO  55           HB2      PRO  55   6.698  14.485  17.863
  418    HB3  PRO  55           HB3      PRO  55   7.909  14.504  16.537
  419    HG2  PRO  55           HG2      PRO  55   8.722  14.374  19.103
  420    HG3  PRO  55           HG3      PRO  55   9.536  15.493  17.964
  421    HD2  PRO  55           HD2      PRO  55   7.432  16.146  20.049
  422    HD3  PRO  55           HD3      PRO  55   8.928  17.039  19.632
  423    H    TYR  56           H        TYR  56   6.236  16.263  14.709
  424    HA   TYR  56           HA       TYR  56   3.317  16.271  15.420
  425    HB2  TYR  56           HB2      TYR  56   4.811  17.456  13.058
  426    HB3  TYR  56           HB3      TYR  56   3.094  17.123  12.991
  427    HD1  TYR  56           HD2      TYR  56   5.630  19.011  15.000
  428    HD2  TYR  56           HD1      TYR  56   1.504  18.666  13.796
  429    HE1  TYR  56           HE2      TYR  56   5.114  21.145  16.153
  430    HE2  TYR  56           HE1      TYR  56   0.991  20.823  14.894
  431    HH   TYR  56           HH       TYR  56   1.849  22.628  16.117
  432    H    TYR  57           H        TYR  57   5.660  14.131  14.707
  433    HA   TYR  57           HA       TYR  57   3.991  12.421  12.944
  434    HB2  TYR  57           HB2      TYR  57   6.867  13.221  12.455
  435    HB3  TYR  57           HB3      TYR  57   6.006  11.906  11.659
  436    HD1  TYR  57           HD2      TYR  57   4.172  12.307  10.084
  437    HD2  TYR  57           HD1      TYR  57   6.354  15.574  11.868
  438    HE1  TYR  57           HE2      TYR  57   3.116  13.878   8.481
  439    HE2  TYR  57           HE1      TYR  57   5.326  17.148  10.255
  440    HH   TYR  57           HH       TYR  57   2.956  16.090   7.765
  441    H    ILE  58           H        ILE  58   3.667  11.554  15.270
  442    HA   ILE  58           HA       ILE  58   5.831   9.605  15.934
  443    HB   ILE  58           HB       ILE  58   3.911  10.901  17.899
  444   HG12  ILE  58          HG12      ILE  58   5.536  12.575  17.340
  445   HG13  ILE  58          HG13      ILE  58   5.842  11.960  18.951
  446   HG21  ILE  58          HG21      ILE  58   6.149   8.867  18.315
  447   HG22  ILE  58          HG22      ILE  58   5.317   9.737  19.622
  448   HG23  ILE  58          HG23      ILE  58   4.418   8.632  18.586
  449   HD11  ILE  58          HD13      ILE  58   7.475  11.518  16.445
  450   HD12  ILE  58          HD11      ILE  58   7.985  12.201  17.993
  451   HD13  ILE  58          HD12      ILE  58   7.671  10.468  17.857
  452    H    LEU  59           H        LEU  59   5.095   7.501  16.101
  453    HA   LEU  59           HA       LEU  59   2.236   7.065  15.315
  454    HB2  LEU  59           HB2      LEU  59   4.752   5.605  14.389
  455    HB3  LEU  59           HB3      LEU  59   3.112   5.111  14.037
  456    HG   LEU  59           HG       LEU  59   3.856   6.103  12.099
  457   HD11  LEU  59          HD11      LEU  59   2.253   8.335  13.379
  458   HD12  LEU  59          HD12      LEU  59   2.363   7.919  11.662
  459   HD13  LEU  59          HD13      LEU  59   1.573   6.803  12.781
  460   HD21  LEU  59          HD23      LEU  59   5.850   7.286  12.852
  461   HD22  LEU  59          HD21      LEU  59   4.812   8.347  11.892
  462   HD23  LEU  59          HD22      LEU  59   4.864   8.548  13.613
  463    H    ALA  60           H        ALA  60   4.951   5.903  17.290
  464    HA   ALA  60           HA       ALA  60   3.208   4.275  18.919
  465    HB1  ALA  60           HB3      ALA  60   3.601   2.714  17.000
  466    HB2  ALA  60           HB1      ALA  60   5.353   2.925  17.187
  467    HB3  ALA  60           HB2      ALA  60   4.412   2.133  18.457
  468    HA   PRO  61           HA       PRO  61   6.422   5.154  21.920
  469    HB2  PRO  61           HB2      PRO  61   6.646   2.145  22.272
  470    HB3  PRO  61           HB3      PRO  61   6.641   3.419  23.527
  471    HG2  PRO  61           HG2      PRO  61   4.377   2.051  23.011
  472    HG3  PRO  61           HG3      PRO  61   4.299   3.836  23.187
  473    HD2  PRO  61           HD2      PRO  61   4.343   2.191  20.656
  474    HD3  PRO  61           HD3      PRO  61   3.335   3.615  21.058
  475    H    GLY  62           H        GLY  62   8.264   5.943  21.067
  476    HA2  GLY  62           HA2      GLY  62  10.505   5.865  20.578
  477    HA3  GLY  62           HA3      GLY  62  10.428   4.121  20.360
  478    H    VAL  63           H        VAL  63   7.984   5.603  18.420
  479    HA   VAL  63           HA       VAL  63   9.757   5.375  16.024
  480    HB   VAL  63           HB       VAL  63   6.918   4.369  16.437
  481   HG11  VAL  63          HG11      VAL  63   8.744   4.058  14.019
  482   HG12  VAL  63          HG12      VAL  63   7.150   3.291  14.219
  483   HG13  VAL  63          HG13      VAL  63   7.274   5.047  14.091
  484   HG21  VAL  63          HG23      VAL  63   9.518   2.799  16.119
  485   HG22  VAL  63          HG21      VAL  63   8.557   2.927  17.607
  486   HG23  VAL  63          HG22      VAL  63   7.880   2.111  16.213
  487    H    ALA  64           H        ALA  64   9.787   7.128  14.815
  488    HA   ALA  64           HA       ALA  64   7.468   8.971  14.747
  489    HB1  ALA  64           HB3      ALA  64  10.411   9.766  14.627
  490    HB2  ALA  64           HB1      ALA  64   9.020  10.869  14.603
  491    HB3  ALA  64           HB2      ALA  64   9.374   9.942  16.065
  492    H    MET  65           H        MET  65   7.641  10.399  12.743
  493    HA   MET  65           HA       MET  65   8.863   9.010  10.453
  494    HB2  MET  65           HB2      MET  65   6.617   8.154  10.722
  495    HB3  MET  65           HB3      MET  65   5.970   9.799  10.567
  496    HG2  MET  65           HG2      MET  65   7.447   9.572   8.260
  497    HG3  MET  65           HG3      MET  65   7.017   7.889   8.538
  498    HE1  MET  65           HE3      MET  65   3.831   8.751  10.040
  499    HE2  MET  65           HE1      MET  65   3.086   8.041   8.592
  500    HE3  MET  65           HE2      MET  65   4.505   7.269   9.316
  501    HA   PRO  66           HA       PRO  66   9.027  13.736  10.715
  502    HB2  PRO  66           HB2      PRO  66  11.933  13.330   9.956
  503    HB3  PRO  66           HB3      PRO  66  11.240  14.450  11.162
  504    HG2  PRO  66           HG2      PRO  66  12.492  12.210  11.962
  505    HG3  PRO  66           HG3      PRO  66  10.974  12.724  12.762
  506    HD2  PRO  66           HD2      PRO  66  11.302  10.688  10.529
  507    HD3  PRO  66           HD3      PRO  66  10.441  10.507  12.087
  508    H    HIS  67           H        HIS  67   8.519  14.852   8.933
  509    HA   HIS  67           HA       HIS  67   9.360  14.680   6.256
  510    HB2  HIS  67           HB2      HIS  67   8.437  12.765   5.566
  511    HB3  HIS  67           HB3      HIS  67   7.693  12.463   7.090
  512    HD1  HIS  67           HD1      HIS  67   5.179  12.997   7.427
  513    HD2  HIS  67           HD2      HIS  67   6.719  13.685   3.538
  514    HE1  HIS  67           HE1      HIS  67   3.174  13.094   5.852
  515    H    ALA  68           H        ALA  68   7.650  15.966   4.871
  516    HA   ALA  68           HA       ALA  68   6.009  17.819   6.521
  517    HB1  ALA  68           HB3      ALA  68   8.206  18.709   4.621
  518    HB2  ALA  68           HB1      ALA  68   7.054  19.745   5.482
  519    HB3  ALA  68           HB2      ALA  68   8.256  18.830   6.389
  520    H    ARG  69           H        ARG  69   4.813  19.324   4.928
  521    HA   ARG  69           HA       ARG  69   3.366  17.800   2.962
  522    HB2  ARG  69           HB2      ARG  69   3.664  20.757   3.619
  523    HB3  ARG  69           HB3      ARG  69   2.752  20.247   2.199
  524    HG2  ARG  69           HG2      ARG  69   1.321  18.799   3.713
  525    HG3  ARG  69           HG3      ARG  69   2.176  19.498   5.095
  526    HD2  ARG  69           HD2      ARG  69   0.118  20.725   4.824
  527    HD3  ARG  69           HD3      ARG  69   1.440  21.784   4.341
  528    HE   ARG  69           HE       ARG  69   0.673  21.795   2.146
  529   HH11  ARG  69          HH11      ARG  69  -1.171  19.308   3.921
  530   HH12  ARG  69          HH12      ARG  69  -2.308  19.084   2.643
  531   HH21  ARG  69          HH21      ARG  69  -0.727  21.521   0.560
  532   HH22  ARG  69          HH22      ARG  69  -2.071  20.394   0.631
  533    HA   PRO  70           HA       PRO  70   6.073  17.761  -0.518
  534    HB2  PRO  70           HB2      PRO  70   4.429  18.627  -2.633
  535    HB3  PRO  70           HB3      PRO  70   4.489  16.980  -1.979
  536    HG2  PRO  70           HG2      PRO  70   2.492  19.131  -1.385
  537    HG3  PRO  70           HG3      PRO  70   2.228  17.375  -1.596
  538    HD2  PRO  70           HD2      PRO  70   2.310  18.541   0.856
  539    HD3  PRO  70           HD3      PRO  70   2.962  16.908   0.599
  540    H    GLU  71           H        GLU  71   3.889  20.580  -0.281
  541    HA   GLU  71           HA       GLU  71   5.210  22.529  -1.756
  542    HB2  GLU  71           HB2      GLU  71   3.479  22.776   0.743
  543    HB3  GLU  71           HB3      GLU  71   3.838  24.103  -0.366
  544    HG2  GLU  71           HG2      GLU  71   2.658  22.980  -2.188
  545    HG3  GLU  71           HG3      GLU  71   2.370  21.559  -1.181
  546    H    CYS  72           H        CYS  72   6.320  21.168   1.252
  547    HA   CYS  72           HA       CYS  72   7.554  23.646   2.241
  548    HB2  CYS  72           HB2      CYS  72   7.775  20.746   3.156
  549    HB3  CYS  72           HB3      CYS  72   8.551  22.130   3.947
  550    HG   CYS  72           HG       CYS  72   5.337  21.785   3.266
  551    H    GLY  73           H        GLY  73   8.319  21.431  -0.236
  552    HA2  GLY  73           HA2      GLY  73  10.312  22.405  -1.457
  553    HA3  GLY  73           HA3      GLY  73  11.247  22.015  -0.007
  554    H    ALA  74           H        ALA  74   8.735  19.707  -0.963
  555    HA   ALA  74           HA       ALA  74  10.748  17.646  -1.465
  556    HB1  ALA  74           HB3      ALA  74   8.846  16.256  -2.046
  557    HB2  ALA  74           HB1      ALA  74   8.494  17.111  -0.531
  558    HB3  ALA  74           HB2      ALA  74   7.771  17.665  -2.066
  559    H    LEU  75           H        LEU  75  11.258  16.740  -3.434
  560    HA   LEU  75           HA       LEU  75  10.629  18.343  -5.879
  561    HB2  LEU  75           HB2      LEU  75  13.290  17.115  -5.070
  562    HB3  LEU  75           HB3      LEU  75  12.968  17.964  -6.573
  563    HG   LEU  75           HG       LEU  75  12.885  19.227  -3.797
  564   HD11  LEU  75          HD11      LEU  75  15.153  18.547  -4.459
  565   HD12  LEU  75          HD12      LEU  75  14.987  19.414  -6.000
  566   HD13  LEU  75          HD13      LEU  75  14.996  20.306  -4.460
  567   HD21  LEU  75          HD23      LEU  75  12.723  20.505  -6.571
  568   HD22  LEU  75          HD21      LEU  75  11.413  20.435  -5.374
  569   HD23  LEU  75          HD22      LEU  75  12.860  21.383  -5.032
  570    H    LYS  76           H        LYS  76  11.397  15.159  -4.458
  571    HA   LYS  76           HA       LYS  76  10.164  13.840  -6.766
  572    HB2  LYS  76           HB2      LYS  76  12.835  13.021  -5.603
  573    HB3  LYS  76           HB3      LYS  76  12.007  12.226  -6.936
  574    HG2  LYS  76           HG2      LYS  76  12.462  14.176  -8.378
  575    HG3  LYS  76           HG3      LYS  76  13.168  15.044  -6.993
  576    HD2  LYS  76           HD2      LYS  76  14.915  13.296  -6.765
  577    HD3  LYS  76           HD3      LYS  76  14.257  12.459  -8.172
  578    HE2  LYS  76           HE2      LYS  76  16.262  13.800  -8.694
  579    HE3  LYS  76           HE3      LYS  76  14.859  14.302  -9.642
  580    HZ1  LYS  76           HZ3      LYS  76  14.696  16.268  -8.416
  581    HZ2  LYS  76           HZ1      LYS  76  15.580  15.711  -7.143
  582    HZ3  LYS  76           HZ2      LYS  76  16.323  16.083  -8.525
  583    H    THR  77           H        THR  77   9.466  11.619  -6.164
  584    HA   THR  77           HA       THR  77   8.835  11.459  -3.387
  585    HB   THR  77           HB       THR  77   7.977   9.981  -5.889
  586    HG1  THR  77           HG1      THR  77   6.421  11.367  -6.017
  587   HG21  THR  77          HG23      THR  77   6.822   9.911  -3.083
  588   HG22  THR  77          HG21      THR  77   6.023   9.259  -4.544
  589   HG23  THR  77          HG22      THR  77   7.546   8.556  -3.982
  590    H    GLY  78           H        GLY  78   9.679  10.226  -1.837
  591    HA2  GLY  78           HA2      GLY  78  10.846   7.656  -2.269
  592    HA3  GLY  78           HA3      GLY  78  12.103   8.892  -2.107
  593    H    MET  79           H        MET  79  12.330   7.206  -0.155
  594    HA   MET  79           HA       MET  79  11.262   8.473   2.275
  595    HB2  MET  79           HB2      MET  79  10.842   5.559   1.456
  596    HB3  MET  79           HB3      MET  79  10.826   6.081   3.137
  597    HG2  MET  79           HG2      MET  79   9.109   7.830   2.440
  598    HG3  MET  79           HG3      MET  79   8.838   6.872   1.002
  599    HE1  MET  79           HE3      MET  79   6.818   5.402   1.024
  600    HE2  MET  79           HE1      MET  79   7.996   4.105   1.352
  601    HE3  MET  79           HE2      MET  79   6.490   4.183   2.270
  602    H    SER  80           H        SER  80  12.223   7.422   4.233
  603    HA   SER  80           HA       SER  80  14.962   6.372   3.890
  604    HB2  SER  80           HB2      SER  80  14.378   8.453   5.998
  605    HB3  SER  80           HB3      SER  80  15.939   7.929   5.375
  606    HG   SER  80           HG       SER  80  15.041  10.056   4.788
  607    H    LEU  81           H        LEU  81  15.656   5.261   5.889
  608    HA   LEU  81           HA       LEU  81  13.632   4.722   7.961
  609    HB2  LEU  81           HB2      LEU  81  13.538   2.984   6.172
  610    HB3  LEU  81           HB3      LEU  81  15.266   2.704   6.319
  611    HG   LEU  81           HG       LEU  81  15.007   1.699   8.495
  612   HD11  LEU  81          HD11      LEU  81  13.131   3.035   9.432
  613   HD12  LEU  81          HD12      LEU  81  12.044   2.327   8.216
  614   HD13  LEU  81          HD13      LEU  81  12.746   1.301   9.468
  615   HD21  LEU  81          HD23      LEU  81  12.854   0.760   6.547
  616   HD22  LEU  81          HD21      LEU  81  14.571   0.425   6.350
  617   HD23  LEU  81          HD22      LEU  81  13.678  -0.257   7.739
  618    H    THR  82           H        THR  82  14.729   5.594   9.736
  619    HA   THR  82           HA       THR  82  17.677   5.189   9.942
  620    HB   THR  82           HB       THR  82  15.944   7.422  11.080
  621    HG1  THR  82           HG1      THR  82  15.756   7.563   8.896
  622   HG21  THR  82          HG23      THR  82  18.075   8.659  11.171
  623   HG22  THR  82          HG21      THR  82  18.122   7.183  12.146
  624   HG23  THR  82          HG22      THR  82  18.941   7.222  10.566
  625    H    LEU  83           H        LEU  83  18.430   4.281  11.919
  626    HA   LEU  83           HA       LEU  83  16.499   4.192  14.167
  627    HB2  LEU  83           HB2      LEU  83  16.748   1.980  12.788
  628    HB3  LEU  83           HB3      LEU  83  18.290   1.807  13.598
  629    HG   LEU  83           HG       LEU  83  15.648   2.238  15.084
  630   HD11  LEU  83          HD11      LEU  83  16.967  -0.396  14.379
  631   HD12  LEU  83          HD12      LEU  83  15.552  -0.168  15.433
  632   HD13  LEU  83          HD13      LEU  83  15.432   0.229  13.726
  633   HD21  LEU  83          HD23      LEU  83  17.378   2.582  16.655
  634   HD22  LEU  83          HD21      LEU  83  16.916   0.920  16.905
  635   HD23  LEU  83          HD22      LEU  83  18.394   1.277  15.985
  636    H    LEU  84           H        LEU  84  17.447   4.627  16.134
  637    HA   LEU  84           HA       LEU  84  20.360   5.312  16.168
  638    HB2  LEU  84           HB2      LEU  84  17.915   6.523  17.465
  639    HB3  LEU  84           HB3      LEU  84  19.525   6.741  18.160
  640    HG   LEU  84           HG       LEU  84  20.315   8.005  16.333
  641   HD11  LEU  84          HD11      LEU  84  17.695   7.408  14.910
  642   HD12  LEU  84          HD12      LEU  84  18.863   8.655  14.403
  643   HD13  LEU  84          HD13      LEU  84  19.333   6.957  14.389
  644   HD21  LEU  84          HD23      LEU  84  18.684   9.905  16.454
  645   HD22  LEU  84          HD21      LEU  84  17.492   8.817  17.167
  646   HD23  LEU  84          HD22      LEU  84  19.007   9.164  18.032
  647    H    GLU  85           H        GLU  85  21.517   4.010  17.550
  648    HA   GLU  85           HA       GLU  85  20.344   1.916  19.018
  649    HB2  GLU  85           HB2      GLU  85  23.095   3.194  19.224
  650    HB3  GLU  85           HB3      GLU  85  22.620   1.731  20.095
  651    HG2  GLU  85           HG2      GLU  85  22.069   0.629  17.920
  652    HG3  GLU  85           HG3      GLU  85  22.653   2.051  17.062
  653    H    GLN  86           H        GLN  86  21.423   5.113  20.083
  654    HA   GLN  86           HA       GLN  86  20.473   4.605  22.849
  655    HB2  GLN  86           HB2      GLN  86  21.894   6.983  21.567
  656    HB3  GLN  86           HB3      GLN  86  21.497   6.860  23.275
  657    HG2  GLN  86           HG2      GLN  86  22.864   4.810  23.509
  658    HG3  GLN  86           HG3      GLN  86  23.254   4.843  21.791
  659   HE21  GLN  86          HE22      GLN  86  24.731   6.369  20.981
  660   HE22  GLN  86          HE21      GLN  86  25.824   7.251  22.034
  661    H    GLY  87           H        GLY  87  19.115   5.799  19.962
  662    HA2  GLY  87           HA2      GLY  87  17.313   7.140  19.458
  663    HA3  GLY  87           HA3      GLY  87  16.780   6.955  21.131
  664    H    VAL  88           H        VAL  88  16.162   9.327  20.402
  665    HA   VAL  88           HA       VAL  88  17.884  10.918  22.071
  666    HB   VAL  88           HB       VAL  88  18.510  11.156  19.425
  667   HG11  VAL  88          HG11      VAL  88  16.449  13.339  19.755
  668   HG12  VAL  88          HG12      VAL  88  17.539  13.047  18.395
  669   HG13  VAL  88          HG13      VAL  88  16.270  11.858  18.776
  670   HG21  VAL  88          HG23      VAL  88  18.587  13.379  21.456
  671   HG22  VAL  88          HG21      VAL  88  19.759  12.053  21.236
  672   HG23  VAL  88          HG22      VAL  88  19.545  13.262  19.958
  673    H    TYR  89           H        TYR  89  16.578  13.129  22.441
  674    HA   TYR  89           HA       TYR  89  13.723  12.310  22.630
  675    HB2  TYR  89           HB2      TYR  89  14.962  11.846  24.721
  676    HB3  TYR  89           HB3      TYR  89  15.360  13.545  24.846
  677    HD1  TYR  89           HD2      TYR  89  11.931  13.001  23.548
  678    HD2  TYR  89           HD1      TYR  89  14.344  13.222  27.149
  679    HE1  TYR  89           HE2      TYR  89   9.941  13.390  24.863
  680    HE2  TYR  89           HE1      TYR  89  12.296  13.658  28.472
  681    HH   TYR  89           HH       TYR  89   9.064  13.965  26.901
  682    H    PHE  90           H        PHE  90  13.047  13.574  20.999
  683    HA   PHE  90           HA       PHE  90  13.471  16.272  20.474
  684    HB2  PHE  90           HB2      PHE  90  10.967  14.556  20.383
  685    HB3  PHE  90           HB3      PHE  90  11.081  16.170  19.671
  686    HD1  PHE  90           HD1      PHE  90  12.987  16.604  17.964
  687    HD2  PHE  90           HD2      PHE  90  11.544  12.683  18.998
  688    HE1  PHE  90           HE1      PHE  90  13.925  15.708  15.860
  689    HE2  PHE  90           HE2      PHE  90  12.485  11.783  16.879
  690    HZ   PHE  90           HZ       PHE  90  13.682  13.300  15.307
  691    HA   PRO  91           HA       PRO  91  11.925  18.295  24.110
  692    HB2  PRO  91           HB2      PRO  91  11.199  20.765  23.117
  693    HB3  PRO  91           HB3      PRO  91  12.891  20.251  23.395
  694    HG2  PRO  91           HG2      PRO  91  11.325  20.191  20.805
  695    HG3  PRO  91           HG3      PRO  91  12.990  20.798  21.080
  696    HD2  PRO  91           HD2      PRO  91  12.515  18.315  20.083
  697    HD3  PRO  91           HD3      PRO  91  13.857  18.598  21.236
  698    H    GLY  92           H        GLY  92   9.973  18.423  25.150
  699    HA2  GLY  92           HA2      GLY  92   7.749  18.628  25.539
  700    HA3  GLY  92           HA3      GLY  92   7.544  19.194  23.878
  701    H    ASN  93           H        ASN  93   8.942  16.151  23.438
  702    HA   ASN  93           HA       ASN  93   6.338  14.954  22.897
  703    HB2  ASN  93           HB2      ASN  93   8.428  14.648  21.461
  704    HB3  ASN  93           HB3      ASN  93   9.092  13.659  22.756
  705   HD21  ASN  93          HD22      ASN  93   8.894  11.516  22.115
  706   HD22  ASN  93          HD21      ASN  93   7.455  10.837  21.375
  707    H    ASP  94           H        ASP  94   5.880  12.671  23.785
  708    HA   ASP  94           HA       ASP  94   5.997  12.758  26.652
  709    HB2  ASP  94           HB2      ASP  94   4.130  11.745  25.386
  710    HB3  ASP  94           HB3      ASP  94   5.214  10.473  24.810
  711    H    GLU  95           H        GLU  95   7.871  10.976  24.220
  712    HA   GLU  95           HA       GLU  95   9.796  10.065  26.253
  713    HB2  GLU  95           HB2      GLU  95   9.256   7.815  26.020
  714    HB3  GLU  95           HB3      GLU  95   7.692   8.587  25.943
  715    HG2  GLU  95           HG2      GLU  95   7.734   8.436  23.449
  716    HG3  GLU  95           HG3      GLU  95   9.265   7.557  23.572
  717    HA   PRO  96           HA       PRO  96  12.703  10.425  22.934
  718    HB2  PRO  96           HB2      PRO  96  14.513   8.403  23.230
  719    HB3  PRO  96           HB3      PRO  96  14.350   9.721  24.425
  720    HG2  PRO  96           HG2      PRO  96  13.144   6.951  24.543
  721    HG3  PRO  96           HG3      PRO  96  14.019   7.836  25.832
  722    HD2  PRO  96           HD2      PRO  96  11.296   7.747  25.652
  723    HD3  PRO  96           HD3      PRO  96  12.146   9.184  26.301
  724    H    ILE  97           H        ILE  97  13.507   9.521  20.910
  725    HA   ILE  97           HA       ILE  97  11.768   7.359  19.757
  726    HB   ILE  97           HB       ILE  97  12.943   9.833  18.453
  727   HG12  ILE  97          HG12      ILE  97  11.106  10.550  19.792
  728   HG13  ILE  97          HG13      ILE  97  10.563  10.525  18.127
  729   HG21  ILE  97          HG21      ILE  97  12.880   7.921  16.855
  730   HG22  ILE  97          HG22      ILE  97  11.159   7.690  17.216
  731   HG23  ILE  97          HG23      ILE  97  11.728   9.175  16.440
  732   HD11  ILE  97          HD13      ILE  97   8.830   9.724  19.662
  733   HD12  ILE  97          HD11      ILE  97   9.316   8.407  18.574
  734   HD13  ILE  97          HD12      ILE  97   9.867   8.456  20.270
  735    H    LYS  98           H        LYS  98  12.734   5.754  18.768
  736    HA   LYS  98           HA       LYS  98  15.708   5.796  18.513
  737    HB2  LYS  98           HB2      LYS  98  13.805   3.560  19.308
  738    HB3  LYS  98           HB3      LYS  98  15.402   3.245  18.612
  739    HG2  LYS  98           HG2      LYS  98  16.498   4.517  20.399
  740    HG3  LYS  98           HG3      LYS  98  14.937   4.930  21.110
  741    HD2  LYS  98           HD2      LYS  98  16.100   3.086  22.307
  742    HD3  LYS  98           HD3      LYS  98  14.504   2.644  21.714
  743    HE2  LYS  98           HE2      LYS  98  16.089   0.812  21.397
  744    HE3  LYS  98           HE3      LYS  98  15.455   1.384  19.857
  745    HZ1  LYS  98           HZ3      LYS  98  17.830   1.005  19.758
  746    HZ2  LYS  98           HZ1      LYS  98  17.564   2.609  19.534
  747    HZ3  LYS  98           HZ2      LYS  98  18.134   2.059  20.966
  748    H    LEU  99           H        LEU  99  12.643   5.538  16.755
  749    HA   LEU  99           HA       LEU  99  14.370   5.136  14.398
  750    HB2  LEU  99           HB2      LEU  99  13.343   2.931  14.967
  751    HB3  LEU  99           HB3      LEU  99  11.752   3.676  14.886
  752    HG   LEU  99           HG       LEU  99  13.100   4.223  12.371
  753   HD11  LEU  99          HD11      LEU  99  13.351   1.332  13.115
  754   HD12  LEU  99          HD12      LEU  99  13.550   2.039  11.503
  755   HD13  LEU  99          HD13      LEU  99  14.616   2.531  12.809
  756   HD21  LEU  99          HD23      LEU  99  10.704   2.568  13.073
  757   HD22  LEU  99          HD21      LEU  99  10.784   4.264  12.559
  758   HD23  LEU  99          HD22      LEU  99  11.229   2.980  11.420
  759    H    LEU 100           H        LEU 100  13.744   6.009  12.535
  760    HA   LEU 100           HA       LEU 100  11.509   7.961  12.574
  761    HB2  LEU 100           HB2      LEU 100  14.295   8.790  11.704
  762    HB3  LEU 100           HB3      LEU 100  12.884   9.771  11.940
  763    HG   LEU 100           HG       LEU 100  13.205   8.772  14.476
  764   HD11  LEU 100          HD11      LEU 100  15.314   7.583  13.821
  765   HD12  LEU 100          HD12      LEU 100  16.030   9.150  13.409
  766   HD13  LEU 100          HD13      LEU 100  15.566   8.795  15.088
  767   HD21  LEU 100          HD23      LEU 100  14.586  11.252  13.442
  768   HD22  LEU 100          HD21      LEU 100  12.905  11.123  14.017
  769   HD23  LEU 100          HD22      LEU 100  14.247  10.864  15.139
  770    H    ILE 101           H        ILE 101  10.362   7.272  10.760
  771    HA   ILE 101           HA       ILE 101  11.929   6.443   8.367
  772    HB   ILE 101           HB       ILE 101   9.089   5.968   9.190
  773   HG12  ILE 101          HG12      ILE 101  11.318   4.548   7.708
  774   HG13  ILE 101          HG13      ILE 101  10.590   4.153   9.257
  775   HG21  ILE 101          HG21      ILE 101   8.189   5.793   6.982
  776   HG22  ILE 101          HG22      ILE 101   8.734   7.435   7.196
  777   HG23  ILE 101          HG23      ILE 101   9.730   6.308   6.246
  778   HD11  ILE 101          HD13      ILE 101   8.475   3.542   7.921
  779   HD12  ILE 101          HD11      ILE 101   9.478   3.765   6.458
  780   HD13  ILE 101          HD12      ILE 101   9.901   2.524   7.632
  781    H    GLY 102           H        GLY 102  12.154   7.714   6.635
  782    HA2  GLY 102           HA2      GLY 102  11.211  10.552   6.851
  783    HA3  GLY 102           HA3      GLY 102  12.581  10.012   5.879
  784    H    LEU 103           H        LEU 103  10.169  11.444   4.936
  785    HA   LEU 103           HA       LEU 103   9.655   9.747   2.623
  786    HB2  LEU 103           HB2      LEU 103   7.787   9.221   4.359
  787    HB3  LEU 103           HB3      LEU 103   7.319  10.896   4.201
  788    HG   LEU 103           HG       LEU 103   6.990   8.582   2.249
  789   HD11  LEU 103          HD11      LEU 103   5.042  10.747   3.221
  790   HD12  LEU 103          HD12      LEU 103   4.672   9.121   2.618
  791   HD13  LEU 103          HD13      LEU 103   5.396   9.349   4.210
  792   HD21  LEU 103          HD23      LEU 103   5.786  10.306   0.752
  793   HD22  LEU 103          HD21      LEU 103   6.726  11.536   1.562
  794   HD23  LEU 103          HD22      LEU 103   7.522  10.187   0.656
  795    H    SER 104           H        SER 104   9.333  11.034   0.801
  796    HA   SER 104           HA       SER 104   8.537  13.830   1.077
  797    HB2  SER 104           HB2      SER 104  10.273  14.608  -0.458
  798    HB3  SER 104           HB3      SER 104  10.988  13.959   1.029
  799    HG   SER 104           HG       SER 104  11.020  12.927  -1.589
  800    H    ALA 105           H        ALA 105   7.195  14.393  -0.796
  801    HA   ALA 105           HA       ALA 105   7.413  12.624  -3.074
  802    HB1  ALA 105           HB3      ALA 105   5.325  11.776  -3.176
  803    HB2  ALA 105           HB1      ALA 105   5.520  11.764  -1.423
  804    HB3  ALA 105           HB2      ALA 105   4.606  13.068  -2.232
  805    H    ALA 106           H        ALA 106   6.760  13.550  -5.019
  806    HA   ALA 106           HA       ALA 106   7.022  16.426  -4.819
  807    HB1  ALA 106           HB3      ALA 106   7.120  16.344  -7.308
  808    HB2  ALA 106           HB1      ALA 106   8.174  15.103  -6.608
  809    HB3  ALA 106           HB2      ALA 106   6.594  14.647  -7.286
  810    H    ASP 107           H        ASP 107   4.348  14.262  -4.882
  811    HA   ASP 107           HA       ASP 107   2.502  16.583  -5.234
  812    HB2  ASP 107           HB2      ASP 107   2.545  15.323  -7.374
  813    HB3  ASP 107           HB3      ASP 107   2.099  13.851  -6.507
  814    H    ALA 108           H        ALA 108   0.510  16.371  -4.059
  815    HA   ALA 108           HA       ALA 108   0.858  15.209  -1.510
  816    HB1  ALA 108           HB3      ALA 108  -1.468  15.922  -1.112
  817    HB2  ALA 108           HB1      ALA 108  -0.542  17.198  -1.926
  818    HB3  ALA 108           HB2      ALA 108  -1.694  16.201  -2.851
  819    H    ASP 109           H        ASP 109  -0.789  13.906  -4.412
  820    HA   ASP 109           HA       ASP 109  -2.034  11.715  -2.906
  821    HB2  ASP 109           HB2      ASP 109  -3.040  12.461  -4.968
  822    HB3  ASP 109           HB3      ASP 109  -1.545  12.111  -5.865
  823    H    SER 110           H        SER 110   1.038  12.280  -4.582
  824    HA   SER 110           HA       SER 110   1.972   9.557  -4.353
  825    HB2  SER 110           HB2      SER 110   3.592  12.128  -4.552
  826    HB3  SER 110           HB3      SER 110   4.160  10.479  -4.841
  827    HG   SER 110           HG       SER 110   3.613  11.513  -6.792
  828    H    HIS 111           H        HIS 111   2.053  12.434  -2.151
  829    HA   HIS 111           HA       HIS 111   3.511  11.120  -0.056
  830    HB2  HIS 111           HB2      HIS 111   1.554  13.431  -0.053
  831    HB3  HIS 111           HB3      HIS 111   2.035  12.676   1.449
  832    HD1  HIS 111           HD1      HIS 111   4.438  13.237   2.392
  833    HD2  HIS 111           HD2      HIS 111   3.435  14.945  -1.309
  834    HE1  HIS 111           HE1      HIS 111   6.233  14.943   1.880
  835    H    ILE 112           H        ILE 112  -0.038  11.257  -0.749
  836    HA   ILE 112           HA       ILE 112  -0.864   9.656   1.422
  837    HB   ILE 112           HB       ILE 112  -1.999   9.973  -1.379
  838   HG12  ILE 112          HG12      ILE 112  -2.014  11.995   0.101
  839   HG13  ILE 112          HG13      ILE 112  -3.583  11.474  -0.480
  840   HG21  ILE 112          HG21      ILE 112  -4.140   9.047  -0.510
  841   HG22  ILE 112          HG22      ILE 112  -2.855   7.856  -0.696
  842   HG23  ILE 112          HG23      ILE 112  -3.259   8.460   0.923
  843   HD11  ILE 112          HD13      ILE 112  -4.116  10.520   1.712
  844   HD12  ILE 112          HD11      ILE 112  -2.482  10.919   2.306
  845   HD13  ILE 112          HD12      ILE 112  -3.617  12.214   1.862
  846    H    GLY 113           H        GLY 113   0.078   8.550  -1.912
  847    HA2  GLY 113           HA2      GLY 113  -0.267   5.806  -1.431
  848    HA3  GLY 113           HA3      GLY 113   0.864   6.510  -2.607
  849    H    ALA 114           H        ALA 114   2.605   7.871  -0.820
  850    HA   ALA 114           HA       ALA 114   4.360   5.720  -0.070
  851    HB1  ALA 114           HB3      ALA 114   5.160   7.894  -0.913
  852    HB2  ALA 114           HB1      ALA 114   4.412   8.709   0.464
  853    HB3  ALA 114           HB2      ALA 114   5.780   7.592   0.717
  854    H    ILE 115           H        ILE 115   2.336   8.029   1.855
  855    HA   ILE 115           HA       ILE 115   3.073   7.200   4.392
  856    HB   ILE 115           HB       ILE 115   0.744   8.450   3.108
  857   HG12  ILE 115          HG12      ILE 115   2.758   9.804   3.702
  858   HG13  ILE 115          HG13      ILE 115   1.239  10.429   4.306
  859   HG21  ILE 115          HG21      ILE 115  -0.515   7.237   4.595
  860   HG22  ILE 115          HG22      ILE 115   0.627   7.507   5.937
  861   HG23  ILE 115          HG23      ILE 115  -0.387   8.845   5.306
  862   HD11  ILE 115          HD13      ILE 115   1.710   9.719   6.554
  863   HD12  ILE 115          HD11      ILE 115   3.100   8.757   6.022
  864   HD13  ILE 115          HD12      ILE 115   3.160  10.529   5.938
  865    H    GLN 116           H        GLN 116   0.468   6.082   2.127
  866    HA   GLN 116           HA       GLN 116  -0.610   4.090   3.869
  867    HB2  GLN 116           HB2      GLN 116  -0.781   4.579   0.868
  868    HB3  GLN 116           HB3      GLN 116  -1.662   3.275   1.662
  869    HG2  GLN 116           HG2      GLN 116  -1.935   6.196   2.475
  870    HG3  GLN 116           HG3      GLN 116  -2.961   5.414   1.277
  871   HE21  GLN 116          HE22      GLN 116  -4.367   3.593   2.007
  872   HE22  GLN 116          HE21      GLN 116  -4.835   3.496   3.684
  873    H    ALA 117           H        ALA 117   2.368   4.110   2.208
  874    HA   ALA 117           HA       ALA 117   2.506   1.197   2.079
  875    HB1  ALA 117           HB3      ALA 117   4.618   1.521   0.883
  876    HB2  ALA 117           HB1      ALA 117   3.381   2.526   0.114
  877    HB3  ALA 117           HB2      ALA 117   4.576   3.260   1.194
  878    H    LEU 118           H        LEU 118   4.070   4.051   3.650
  879    HA   LEU 118           HA       LEU 118   5.797   2.337   5.155
  880    HB2  LEU 118           HB2      LEU 118   6.536   4.285   6.240
  881    HB3  LEU 118           HB3      LEU 118   6.298   4.568   4.505
  882    HG   LEU 118           HG       LEU 118   4.025   5.504   5.133
  883   HD11  LEU 118          HD11      LEU 118   4.270   4.883   7.680
  884   HD12  LEU 118          HD12      LEU 118   5.446   6.183   7.718
  885   HD13  LEU 118          HD13      LEU 118   3.740   6.485   7.235
  886   HD21  LEU 118          HD23      LEU 118   6.636   6.958   5.658
  887   HD22  LEU 118          HD21      LEU 118   5.680   6.903   4.162
  888   HD23  LEU 118          HD22      LEU 118   5.061   7.756   5.585
  889    H    SER 119           H        SER 119   2.600   3.650   5.705
  890    HA   SER 119           HA       SER 119   2.361   2.919   8.423
  891    HB2  SER 119           HB2      SER 119   0.176   2.828   6.298
  892    HB3  SER 119           HB3      SER 119  -0.071   2.875   8.053
  893    HG   SER 119           HG       SER 119   1.041   4.853   6.356
  894    H    GLU 120           H        GLU 120   2.601   0.747   5.653
  895    HA   GLU 120           HA       GLU 120   1.415  -1.539   6.927
  896    HB2  GLU 120           HB2      GLU 120   3.550  -1.432   4.771
  897    HB3  GLU 120           HB3      GLU 120   2.653  -2.859   5.248
  898    HG2  GLU 120           HG2      GLU 120   1.301  -0.361   4.184
  899    HG3  GLU 120           HG3      GLU 120   1.826  -1.685   3.147
  900    H    LEU 121           H        LEU 121   4.264   0.282   7.359
  901    HA   LEU 121           HA       LEU 121   5.668  -1.860   8.876
  902    HB2  LEU 121           HB2      LEU 121   6.749   0.809   7.895
  903    HB3  LEU 121           HB3      LEU 121   7.662  -0.481   8.642
  904    HG   LEU 121           HG       LEU 121   6.373  -0.435   5.882
  905   HD11  LEU 121          HD11      LEU 121   8.751  -0.739   5.159
  906   HD12  LEU 121          HD12      LEU 121   8.488   0.759   6.066
  907   HD13  LEU 121          HD13      LEU 121   9.258  -0.635   6.850
  908   HD21  LEU 121          HD23      LEU 121   7.829  -2.811   7.114
  909   HD22  LEU 121          HD21      LEU 121   6.097  -2.742   6.727
  910   HD23  LEU 121          HD22      LEU 121   7.295  -2.662   5.437
  911    H    LEU 122           H        LEU 122   5.153   1.734   9.159
  912    HA   LEU 122           HA       LEU 122   5.776   1.751  11.917
  913    HB2  LEU 122           HB2      LEU 122   4.202   3.836  10.415
  914    HB3  LEU 122           HB3      LEU 122   5.040   4.009  11.958
  915    HG   LEU 122           HG       LEU 122   6.232   3.746   9.194
  916   HD11  LEU 122          HD11      LEU 122   7.038   5.876   9.610
  917   HD12  LEU 122          HD12      LEU 122   5.516   5.921  10.478
  918   HD13  LEU 122          HD13      LEU 122   7.018   5.685  11.381
  919   HD21  LEU 122          HD23      LEU 122   7.651   2.220  10.436
  920   HD22  LEU 122          HD21      LEU 122   8.507   3.759  10.335
  921   HD23  LEU 122          HD22      LEU 122   7.697   3.308  11.837
  922    H    CYS 123           H        CYS 123   2.719   0.866  10.504
  923    HA   CYS 123           HA       CYS 123   1.438   1.242  13.169
  924    HB2  CYS 123           HB2      CYS 123   0.081   0.960  10.460
  925    HB3  CYS 123           HB3      CYS 123  -0.689   1.346  11.996
  926    HG   CYS 123           HG       CYS 123  -0.663   3.500  10.512
  927    H    GLU 124           H        GLU 124   3.207  -0.946  12.354
  928    HA   GLU 124           HA       GLU 124   1.328  -3.203  12.657
  929    HB2  GLU 124           HB2      GLU 124   1.902  -2.712  10.222
  930    HB3  GLU 124           HB3      GLU 124   3.572  -3.135  10.610
  931    HG2  GLU 124           HG2      GLU 124   2.463  -5.021   9.628
  932    HG3  GLU 124           HG3      GLU 124   2.804  -5.388  11.326
  933    H    GLU 125           H        GLU 125   1.828  -3.668  14.689
  934    HA   GLU 125           HA       GLU 125   4.272  -3.312  15.931
  935    HB2  GLU 125           HB2      GLU 125   3.402  -4.649  17.744
  936    HB3  GLU 125           HB3      GLU 125   2.158  -3.579  17.101
  937    HG2  GLU 125           HG2      GLU 125   1.198  -5.512  15.815
  938    HG3  GLU 125           HG3      GLU 125   2.414  -6.569  16.534
  939    H    GLU 126           H        GLU 126   3.333  -5.976  13.859
  940    HA   GLU 126           HA       GLU 126   5.293  -7.864  14.710
  941    HB2  GLU 126           HB2      GLU 126   4.124  -7.479  11.916
  942    HB3  GLU 126           HB3      GLU 126   4.992  -8.906  12.503
  943    HG2  GLU 126           HG2      GLU 126   3.208  -9.150  14.281
  944    HG3  GLU 126           HG3      GLU 126   2.318  -7.847  13.479
  945    H    ILE 127           H        ILE 127   5.300  -5.251  12.310
  946    HA   ILE 127           HA       ILE 127   8.054  -5.669  11.471
  947    HB   ILE 127           HB       ILE 127   5.999  -3.572  10.947
  948   HG12  ILE 127          HG12      ILE 127   6.166  -4.241   8.652
  949   HG13  ILE 127          HG13      ILE 127   7.539  -5.305   8.980
  950   HG21  ILE 127          HG21      ILE 127   7.981  -2.260  11.032
  951   HG22  ILE 127          HG22      ILE 127   8.952  -3.541  10.270
  952   HG23  ILE 127          HG23      ILE 127   7.770  -2.626   9.323
  953   HD11  ILE 127          HD13      ILE 127   4.719  -5.773   9.994
  954   HD12  ILE 127          HD11      ILE 127   5.394  -6.480   8.516
  955   HD13  ILE 127          HD12      ILE 127   6.091  -6.906  10.084
  956    H    LEU 128           H        LEU 128   6.294  -3.476  13.754
  957    HA   LEU 128           HA       LEU 128   8.543  -1.973  14.433
  958    HB2  LEU 128           HB2      LEU 128   6.367  -2.797  16.395
  959    HB3  LEU 128           HB3      LEU 128   7.509  -1.483  16.606
  960    HG   LEU 128           HG       LEU 128   5.234  -1.592  14.597
  961   HD11  LEU 128          HD11      LEU 128   5.831   0.289  16.909
  962   HD12  LEU 128          HD12      LEU 128   4.418   0.351  15.831
  963   HD13  LEU 128          HD13      LEU 128   4.636  -1.025  16.924
  964   HD21  LEU 128          HD23      LEU 128   7.004  -0.513  13.398
  965   HD22  LEU 128          HD21      LEU 128   5.933   0.752  14.002
  966   HD23  LEU 128          HD22      LEU 128   7.472   0.437  14.828
  967    H    GLU 129           H        GLU 129   7.725  -5.233  15.625
  968    HA   GLU 129           HA       GLU 129   9.877  -5.282  17.517
  969    HB2  GLU 129           HB2      GLU 129   8.029  -7.320  16.329
  970    HB3  GLU 129           HB3      GLU 129   9.604  -7.913  16.882
  971    HG2  GLU 129           HG2      GLU 129   9.286  -6.905  19.083
  972    HG3  GLU 129           HG3      GLU 129   7.710  -6.263  18.594
  973    H    GLN 130           H        GLN 130   9.624  -6.111  14.014
  974    HA   GLN 130           HA       GLN 130  12.205  -7.338  13.877
  975    HB2  GLN 130           HB2      GLN 130  10.280  -6.185  11.832
  976    HB3  GLN 130           HB3      GLN 130  11.831  -6.899  11.367
  977    HG2  GLN 130           HG2      GLN 130  11.250  -9.045  12.168
  978    HG3  GLN 130           HG3      GLN 130   9.863  -8.441  13.073
  979   HE21  GLN 130          HE21      GLN 130   7.897  -8.134  12.065
  980   HE22  GLN 130          HE22      GLN 130   7.583  -8.625  10.404
  981    H    LEU 131           H        LEU 131  11.044  -3.975  13.556
  982    HA   LEU 131           HA       LEU 131  13.682  -3.024  12.790
  983    HB2  LEU 131           HB2      LEU 131  12.839  -0.884  12.685
  984    HB3  LEU 131           HB3      LEU 131  11.562  -1.967  12.101
  985    HG   LEU 131           HG       LEU 131  10.554  -1.724  14.400
  986   HD11  LEU 131          HD11      LEU 131  11.754   1.032  14.466
  987   HD12  LEU 131          HD12      LEU 131  10.822   0.201  15.687
  988   HD13  LEU 131          HD13      LEU 131  12.504  -0.270  15.387
  989   HD21  LEU 131          HD23      LEU 131  10.569   0.417  12.263
  990   HD22  LEU 131          HD21      LEU 131   9.462  -0.952  12.429
  991   HD23  LEU 131          HD22      LEU 131   9.380   0.392  13.580
  992    H    LEU 132           H        LEU 132  11.761  -2.984  15.911
  993    HA   LEU 132           HA       LEU 132  13.815  -1.647  17.322
  994    HB2  LEU 132           HB2      LEU 132  11.702  -3.629  18.235
  995    HB3  LEU 132           HB3      LEU 132  12.769  -2.817  19.372
  996    HG   LEU 132           HG       LEU 132  11.038  -1.251  17.427
  997   HD11  LEU 132          HD11      LEU 132  10.379  -2.075  20.276
  998   HD12  LEU 132          HD12      LEU 132   9.418  -0.988  19.237
  999   HD13  LEU 132          HD13      LEU 132   9.618  -2.691  18.788
 1000   HD21  LEU 132          HD23      LEU 132  11.343   0.581  19.038
 1001   HD22  LEU 132          HD21      LEU 132  12.430  -0.445  20.002
 1002   HD23  LEU 132          HD22      LEU 132  12.874   0.043  18.349
 1003    H    THR 133           H        THR 133  13.715  -5.003  16.303
 1004    HA   THR 133           HA       THR 133  15.990  -5.691  18.050
 1005    HB   THR 133           HB       THR 133  15.625  -7.976  17.125
 1006    HG1  THR 133           HG1      THR 133  13.224  -6.925  16.068
 1007   HG21  THR 133          HG23      THR 133  14.537  -7.308  19.242
 1008   HG22  THR 133          HG21      THR 133  13.113  -6.730  18.354
 1009   HG23  THR 133          HG22      THR 133  13.540  -8.447  18.325
 1010    H    ALA 134           H        ALA 134  15.765  -4.018  15.185
 1011    HA   ALA 134           HA       ALA 134  17.536  -5.469  13.515
 1012    HB1  ALA 134           HB3      ALA 134  15.928  -3.770  12.670
 1013    HB2  ALA 134           HB1      ALA 134  16.899  -2.490  13.432
 1014    HB3  ALA 134           HB2      ALA 134  17.597  -3.473  12.132
 1015    H    SER 135           H        SER 135  19.519  -5.998  14.126
 1016    HA   SER 135           HA       SER 135  21.222  -4.324  15.729
 1017    HB2  SER 135           HB2      SER 135  22.844  -6.234  15.039
 1018    HB3  SER 135           HB3      SER 135  21.425  -6.633  16.025
 1019    HG   SER 135           HG       SER 135  21.710  -8.088  14.278
 1020    H    SER 136           H        SER 136  20.626  -4.661  12.272
 1021    HA   SER 136           HA       SER 136  22.913  -2.886  11.630
 1022    HB2  SER 136           HB2      SER 136  22.362  -5.588  10.320
 1023    HB3  SER 136           HB3      SER 136  23.648  -4.453   9.884
 1024    HG   SER 136           HG       SER 136  24.391  -6.154  11.227
 1025    H    GLU 137           H        GLU 137  22.818  -1.976   9.571
 1026    HA   GLU 137           HA       GLU 137  20.487  -0.831   8.608
 1027    HB2  GLU 137           HB2      GLU 137  22.964  -0.313   8.238
 1028    HB3  GLU 137           HB3      GLU 137  22.982  -1.610   7.045
 1029    HG2  GLU 137           HG2      GLU 137  21.132  -0.310   5.824
 1030    HG3  GLU 137           HG3      GLU 137  21.461   1.003   6.977
 1031    H    LYS 138           H        LYS 138  22.023  -3.903   7.499
 1032    HA   LYS 138           HA       LYS 138  20.263  -4.129   5.271
 1033    HB2  LYS 138           HB2      LYS 138  22.301  -5.943   6.560
 1034    HB3  LYS 138           HB3      LYS 138  21.168  -6.623   5.399
 1035    HG2  LYS 138           HG2      LYS 138  23.233  -5.983   4.287
 1036    HG3  LYS 138           HG3      LYS 138  21.849  -5.087   3.662
 1037    HD2  LYS 138           HD2      LYS 138  22.538  -3.084   4.944
 1038    HD3  LYS 138           HD3      LYS 138  23.912  -3.991   5.625
 1039    HE2  LYS 138           HE2      LYS 138  24.789  -4.319   3.311
 1040    HE3  LYS 138           HE3      LYS 138  23.409  -3.422   2.667
 1041    HZ1  LYS 138           HZ3      LYS 138  25.309  -1.989   2.855
 1042    HZ2  LYS 138           HZ1      LYS 138  24.188  -1.469   3.930
 1043    HZ3  LYS 138           HZ2      LYS 138  25.504  -2.312   4.438
 1044    H    GLN 139           H        GLN 139  19.652  -4.996   8.657
 1045    HA   GLN 139           HA       GLN 139  17.544  -6.839   7.956
 1046    HB2  GLN 139           HB2      GLN 139  18.632  -7.278   9.983
 1047    HB3  GLN 139           HB3      GLN 139  18.744  -5.574  10.412
 1048    HG2  GLN 139           HG2      GLN 139  17.238  -6.668  11.852
 1049    HG3  GLN 139           HG3      GLN 139  16.453  -5.411  10.892
 1050   HE21  GLN 139          HE22      GLN 139  14.489  -6.659  11.825
 1051   HE22  GLN 139          HE21      GLN 139  13.919  -8.029  10.886
 1052    H    LEU 140           H        LEU 140  17.996  -3.305   8.473
 1053    HA   LEU 140           HA       LEU 140  15.140  -2.769   8.639
 1054    HB2  LEU 140           HB2      LEU 140  17.593  -1.063   8.103
 1055    HB3  LEU 140           HB3      LEU 140  15.977  -0.407   8.057
 1056    HG   LEU 140           HG       LEU 140  17.155  -1.824  10.455
 1057   HD11  LEU 140          HD11      LEU 140  16.816   1.174  10.035
 1058   HD12  LEU 140          HD12      LEU 140  17.519   0.343  11.441
 1059   HD13  LEU 140          HD13      LEU 140  18.350   0.295   9.886
 1060   HD21  LEU 140          HD23      LEU 140  15.326  -0.780  11.734
 1061   HD22  LEU 140          HD21      LEU 140  14.625  -0.148  10.231
 1062   HD23  LEU 140          HD22      LEU 140  14.711  -1.900  10.533
 1063    H    ALA 141           H        ALA 141  17.648  -2.662   6.063
 1064    HA   ALA 141           HA       ALA 141  15.929  -2.240   3.878
 1065    HB1  ALA 141           HB3      ALA 141  18.440  -2.295   3.779
 1066    HB2  ALA 141           HB1      ALA 141  18.360  -4.071   3.888
 1067    HB3  ALA 141           HB2      ALA 141  17.642  -3.235   2.501
 1068    H    ASP 142           H        ASP 142  16.602  -5.381   5.541
 1069    HA   ASP 142           HA       ASP 142  15.152  -6.962   3.719
 1070    HB2  ASP 142           HB2      ASP 142  16.593  -7.927   5.450
 1071    HB3  ASP 142           HB3      ASP 142  15.474  -7.392   6.708
 1072    H    ILE 143           H        ILE 143  13.929  -5.060   6.557
 1073    HA   ILE 143           HA       ILE 143  11.255  -5.976   6.396
 1074    HB   ILE 143           HB       ILE 143  12.603  -3.478   7.479
 1075   HG12  ILE 143          HG12      ILE 143  11.380  -5.891   8.899
 1076   HG13  ILE 143          HG13      ILE 143  13.097  -5.680   8.582
 1077   HG21  ILE 143          HG21      ILE 143  10.548  -2.925   8.646
 1078   HG22  ILE 143          HG22      ILE 143  10.323  -2.876   6.907
 1079   HG23  ILE 143          HG23      ILE 143   9.708  -4.276   7.827
 1080   HD11  ILE 143          HD13      ILE 143  12.879  -3.432   9.883
 1081   HD12  ILE 143          HD11      ILE 143  11.371  -4.155  10.525
 1082   HD13  ILE 143          HD12      ILE 143  12.927  -4.966  10.754
 1083    H    ILE 144           H        ILE 144  12.986  -3.285   4.787
 1084    HA   ILE 144           HA       ILE 144  10.711  -2.251   3.398
 1085    HB   ILE 144           HB       ILE 144  13.693  -2.193   2.711
 1086   HG12  ILE 144          HG12      ILE 144  13.373  -0.946   4.696
 1087   HG13  ILE 144          HG13      ILE 144  13.481   0.232   3.396
 1088   HG21  ILE 144          HG21      ILE 144  12.573  -1.860   0.642
 1089   HG22  ILE 144          HG22      ILE 144  11.457  -0.673   1.341
 1090   HG23  ILE 144          HG23      ILE 144  13.192  -0.313   1.188
 1091   HD11  ILE 144          HD13      ILE 144  10.890   0.151   3.354
 1092   HD12  ILE 144          HD11      ILE 144  11.054  -0.669   4.925
 1093   HD13  ILE 144          HD12      ILE 144  11.684   0.976   4.719
 1094    H    SER 145           H        SER 145  13.040  -4.801   2.483
 1095    HA   SER 145           HA       SER 145  11.772  -5.164  -0.035
 1096    HB2  SER 145           HB2      SER 145  13.573  -7.047   1.555
 1097    HB3  SER 145           HB3      SER 145  13.145  -7.250  -0.157
 1098    HG   SER 145           HG       SER 145  15.156  -6.171   0.139
 1099    H    ARG 146           H        ARG 146  11.014  -6.498   3.202
 1100    HA   ARG 146           HA       ARG 146   9.331  -8.601   2.281
 1101    HB2  ARG 146           HB2      ARG 146  10.019  -9.010   4.412
 1102    HB3  ARG 146           HB3      ARG 146  10.164  -7.305   4.837
 1103    HG2  ARG 146           HG2      ARG 146   7.846  -7.053   5.170
 1104    HG3  ARG 146           HG3      ARG 146   7.516  -8.707   4.574
 1105    HD2  ARG 146           HD2      ARG 146   8.925  -9.554   6.513
 1106    HD3  ARG 146           HD3      ARG 146   8.901  -7.901   7.166
 1107    HE   ARG 146           HE       ARG 146   6.259  -8.394   6.697
 1108   HH11  ARG 146          HH11      ARG 146   8.688 -10.081   8.661
 1109   HH12  ARG 146          HH12      ARG 146   7.549 -11.161   9.389
 1110   HH21  ARG 146          HH21      ARG 146   4.722  -9.670   7.836
 1111   HH22  ARG 146          HH22      ARG 146   5.234 -10.800   9.026
 1112    H    GLY 147           H        GLY 147   8.900  -5.185   3.094
 1113    HA2  GLY 147           HA2      GLY 147   6.099  -5.083   3.292
 1114    HA3  GLY 147           HA3      GLY 147   7.161  -3.729   2.873
  Start of MODEL   12
    1    H    MET   1           H1       MET   1   1.978  -1.267  -0.648
    2    HA   MET   1           HA       MET   1   2.343  -1.723  -3.532
    3    HB2  MET   1           HB2      MET   1   1.994   0.766  -2.770
    4    HB3  MET   1           HB3      MET   1   3.580   0.579  -1.981
    5    HG2  MET   1           HG2      MET   1   3.590   1.647  -4.260
    6    HG3  MET   1           HG3      MET   1   4.703   0.313  -4.025
    7    HE1  MET   1           HE3      MET   1   3.929   0.035  -7.814
    8    HE2  MET   1           HE1      MET   1   4.116   1.512  -6.843
    9    HE3  MET   1           HE2      MET   1   5.185   0.118  -6.560
   10    H    ARG   2           H        ARG   2   4.613  -2.093  -4.166
   11    HA   ARG   2           HA       ARG   2   6.151  -3.478  -2.186
   12    HB2  ARG   2           HB2      ARG   2   6.610  -2.492  -5.010
   13    HB3  ARG   2           HB3      ARG   2   8.024  -2.839  -4.023
   14    HG2  ARG   2           HG2      ARG   2   7.264  -4.739  -5.443
   15    HG3  ARG   2           HG3      ARG   2   7.453  -5.109  -3.720
   16    HD2  ARG   2           HD2      ARG   2   5.033  -5.029  -3.391
   17    HD3  ARG   2           HD3      ARG   2   4.805  -4.497  -5.061
   18    HE   ARG   2           HE       ARG   2   5.154  -6.629  -5.842
   19   HH11  ARG   2          HH11      ARG   2   5.830  -6.653  -2.292
   20   HH12  ARG   2          HH12      ARG   2   5.953  -8.370  -2.252
   21   HH21  ARG   2          HH21      ARG   2   5.301  -8.893  -5.688
   22   HH22  ARG   2          HH22      ARG   2   5.629  -9.660  -4.183
   23    H    LEU   3           H        LEU   3   7.009  -2.591  -0.528
   24    HA   LEU   3           HA       LEU   3   7.188   0.193   0.035
   25    HB2  LEU   3           HB2      LEU   3   8.428  -2.314   1.185
   26    HB3  LEU   3           HB3      LEU   3   9.088  -0.763   1.665
   27    HG   LEU   3           HG       LEU   3   7.417  -1.743   3.230
   28   HD11  LEU   3          HD11      LEU   3   6.719   1.009   2.114
   29   HD12  LEU   3          HD12      LEU   3   6.352   0.374   3.731
   30   HD13  LEU   3          HD13      LEU   3   8.027   0.639   3.263
   31   HD21  LEU   3          HD23      LEU   3   5.044  -1.567   2.801
   32   HD22  LEU   3          HD21      LEU   3   5.320  -0.911   1.183
   33   HD23  LEU   3          HD22      LEU   3   5.764  -2.582   1.544
   34    H    SER   4           H        SER   4   9.569  -2.125  -1.319
   35    HA   SER   4           HA       SER   4  11.834  -0.514  -1.323
   36    HB2  SER   4           HB2      SER   4  12.432  -2.077  -3.314
   37    HB3  SER   4           HB3      SER   4  12.132  -2.780  -1.718
   38    HG   SER   4           HG       SER   4  11.036  -3.897  -3.398
   39    H    ASP   5           H        ASP   5   8.978  -0.136  -3.412
   40    HA   ASP   5           HA       ASP   5  10.273   1.256  -5.530
   41    HB2  ASP   5           HB2      ASP   5   7.934   0.419  -5.610
   42    HB3  ASP   5           HB3      ASP   5   7.471   1.640  -4.418
   43    H    TYR   6           H        TYR   6   9.521   2.230  -2.236
   44    HA   TYR   6           HA       TYR   6   9.690   5.094  -2.903
   45    HB2  TYR   6           HB2      TYR   6   8.848   3.615  -0.382
   46    HB3  TYR   6           HB3      TYR   6   8.951   5.359  -0.523
   47    HD1  TYR   6           HD1      TYR   6   7.473   6.682  -1.894
   48    HD2  TYR   6           HD2      TYR   6   6.911   2.406  -1.478
   49    HE1  TYR   6           HE1      TYR   6   5.291   6.850  -3.057
   50    HE2  TYR   6           HE2      TYR   6   4.692   2.610  -2.510
   51    HH   TYR   6           HH       TYR   6   3.418   5.696  -3.830
   52    H    PHE   7           H        PHE   7  11.858   2.685  -1.544
   53    HA   PHE   7           HA       PHE   7  13.435   4.816  -0.156
   54    HB2  PHE   7           HB2      PHE   7  13.639   1.806   0.183
   55    HB3  PHE   7           HB3      PHE   7  14.549   3.027   1.057
   56    HD1  PHE   7           HD1      PHE   7  11.067   1.951   0.345
   57    HD2  PHE   7           HD2      PHE   7  13.710   3.568   3.327
   58    HE1  PHE   7           HE1      PHE   7   9.164   2.138   1.897
   59    HE2  PHE   7           HE2      PHE   7  11.786   3.800   4.863
   60    HZ   PHE   7           HZ       PHE   7   9.528   3.050   4.179
   61    HA   PRO   8           HA       PRO   8  15.350   4.234  -4.215
   62    HB2  PRO   8           HB2      PRO   8  16.975   6.439  -4.340
   63    HB3  PRO   8           HB3      PRO   8  15.201   6.465  -4.533
   64    HG2  PRO   8           HG2      PRO   8  16.784   7.083  -2.019
   65    HG3  PRO   8           HG3      PRO   8  15.455   8.031  -2.747
   66    HD2  PRO   8           HD2      PRO   8  15.021   6.267  -0.715
   67    HD3  PRO   8           HD3      PRO   8  13.837   6.490  -2.035
   68    H    GLU   9           H        GLU   9  17.948   5.651  -2.251
   69    HA   GLU   9           HA       GLU   9  19.352   3.213  -1.759
   70    HB2  GLU   9           HB2      GLU   9  19.984   3.964  -4.227
   71    HB3  GLU   9           HB3      GLU   9  20.786   5.315  -3.408
   72    HG2  GLU   9           HG2      GLU   9  22.417   3.601  -3.895
   73    HG3  GLU   9           HG3      GLU   9  22.211   3.720  -2.153
   74    H    SER  10           H        SER  10  21.234   3.788  -0.408
   75    HA   SER  10           HA       SER  10  22.125   4.722   1.334
   76    HB2  SER  10           HB2      SER  10  21.463   7.497   0.327
   77    HB3  SER  10           HB3      SER  10  22.879   6.977   1.243
   78    HG   SER  10           HG       SER  10  23.576   5.842  -0.622
   79    H    SER  11           H        SER  11  18.921   4.816   0.913
   80    HA   SER  11           HA       SER  11  17.929   6.789   2.687
   81    HB2  SER  11           HB2      SER  11  15.813   5.242   2.150
   82    HB3  SER  11           HB3      SER  11  16.523   6.348   0.972
   83    HG   SER  11           HG       SER  11  16.811   3.530   1.096
   84    H    ILE  12           H        ILE  12  19.430   3.829   3.491
   85    HA   ILE  12           HA       ILE  12  17.627   3.389   5.798
   86    HB   ILE  12           HB       ILE  12  19.207   1.505   4.035
   87   HG12  ILE  12          HG12      ILE  12  16.269   2.261   4.315
   88   HG13  ILE  12          HG13      ILE  12  17.270   2.216   2.865
   89   HG21  ILE  12          HG21      ILE  12  17.500   1.010   6.505
   90   HG22  ILE  12          HG22      ILE  12  18.252  -0.258   5.492
   91   HG23  ILE  12          HG23      ILE  12  19.266   0.844   6.402
   92   HD11  ILE  12          HD13      ILE  12  16.184  -0.116   4.421
   93   HD12  ILE  12          HD11      ILE  12  15.756   0.396   2.771
   94   HD13  ILE  12          HD12      ILE  12  17.377  -0.266   3.090
   95    H    SER  13           H        SER  13  18.648   3.683   7.781
   96    HA   SER  13           HA       SER  13  21.573   3.410   7.888
   97    HB2  SER  13           HB2      SER  13  21.624   5.688   9.084
   98    HB3  SER  13           HB3      SER  13  21.421   5.690   7.329
   99    HG   SER  13           HG       SER  13  19.982   7.121   8.255
  100    H    VAL  14           H        VAL  14  22.451   3.019   9.872
  101    HA   VAL  14           HA       VAL  14  20.654   2.891  12.229
  102    HB   VAL  14           HB       VAL  14  22.760   0.856  11.424
  103   HG11  VAL  14          HG11      VAL  14  22.841   1.193  13.863
  104   HG12  VAL  14          HG12      VAL  14  21.074   1.027  13.971
  105   HG13  VAL  14          HG13      VAL  14  22.085  -0.359  13.507
  106   HG21  VAL  14          HG23      VAL  14  19.746   0.575  11.829
  107   HG22  VAL  14          HG21      VAL  14  20.601   0.482  10.277
  108   HG23  VAL  14          HG22      VAL  14  20.856  -0.764  11.505
  109    H    ILE  15           H        ILE  15  21.533   3.869  13.943
  110    HA   ILE  15           HA       ILE  15  24.267   5.023  13.827
  111    HB   ILE  15           HB       ILE  15  21.505   6.273  13.837
  112   HG12  ILE  15          HG12      ILE  15  24.105   6.736  12.351
  113   HG13  ILE  15          HG13      ILE  15  22.548   6.193  11.718
  114   HG21  ILE  15          HG21      ILE  15  22.422   7.143  15.865
  115   HG22  ILE  15          HG22      ILE  15  23.893   7.704  14.998
  116   HG23  ILE  15          HG23      ILE  15  22.279   8.394  14.672
  117   HD11  ILE  15          HD13      ILE  15  22.909   8.487  11.054
  118   HD12  ILE  15          HD11      ILE  15  21.609   8.481  12.268
  119   HD13  ILE  15          HD12      ILE  15  23.257   8.986  12.720
  120    H    HIS  16           H        HIS  16  25.116   5.483  15.955
  121    HA   HIS  16           HA       HIS  16  23.904   3.911  18.095
  122    HB2  HIS  16           HB2      HIS  16  26.392   4.219  17.784
  123    HB3  HIS  16           HB3      HIS  16  26.203   5.891  18.316
  124    HD1  HIS  16           HD1      HIS  16  25.694   2.284  19.665
  125    HD2  HIS  16           HD2      HIS  16  26.084   6.273  20.959
  126    HE1  HIS  16           HE1      HIS  16  25.855   2.200  22.201
  127    H    SER  17           H        SER  17  24.284   7.449  17.340
  128    HA   SER  17           HA       SER  17  21.865   8.081  18.764
  129    HB2  SER  17           HB2      SER  17  23.042   9.810  20.225
  130    HB3  SER  17           HB3      SER  17  23.198   8.128  20.747
  131    HG   SER  17           HG       SER  17  25.263   8.105  19.678
  132    H    ALA  18           H        ALA  18  21.249  10.351  18.201
  133    HA   ALA  18           HA       ALA  18  22.656  11.286  15.768
  134    HB1  ALA  18           HB3      ALA  18  20.808  12.961  15.703
  135    HB2  ALA  18           HB1      ALA  18  20.238  11.302  15.603
  136    HB3  ALA  18           HB2      ALA  18  20.093  12.206  17.143
  137    H    LYS  19           H        LYS  19  23.492  13.452  15.754
  138    HA   LYS  19           HA       LYS  19  24.955  14.233  18.040
  139    HB2  LYS  19           HB2      LYS  19  25.385  14.760  15.626
  140    HB3  LYS  19           HB3      LYS  19  24.157  16.020  15.729
  141    HG2  LYS  19           HG2      LYS  19  25.409  17.312  17.297
  142    HG3  LYS  19           HG3      LYS  19  26.368  15.919  17.812
  143    HD2  LYS  19           HD2      LYS  19  27.797  17.324  16.555
  144    HD3  LYS  19           HD3      LYS  19  27.486  15.842  15.636
  145    HE2  LYS  19           HE2      LYS  19  25.780  17.075  14.279
  146    HE3  LYS  19           HE3      LYS  19  26.109  18.545  15.206
  147    HZ1  LYS  19           HZ3      LYS  19  28.063  17.137  13.477
  148    HZ2  LYS  19           HZ1      LYS  19  27.300  18.525  13.109
  149    HZ3  LYS  19           HZ2      LYS  19  28.377  18.497  14.332
  150    H    ASP  20           H        ASP  20  21.672  15.009  17.014
  151    HA   ASP  20           HA       ASP  20  20.816  16.020  19.550
  152    HB2  ASP  20           HB2      ASP  20  21.982  18.088  18.354
  153    HB3  ASP  20           HB3      ASP  20  20.658  17.895  17.180
  154    H    TRP  21           H        TRP  21  18.497  16.783  19.210
  155    HA   TRP  21           HA       TRP  21  17.013  14.944  17.569
  156    HB2  TRP  21           HB2      TRP  21  15.132  16.569  18.303
  157    HB3  TRP  21           HB3      TRP  21  15.873  15.492  19.471
  158    HD1  TRP  21           HD1      TRP  21  16.238  19.145  18.340
  159    HE1  TRP  21           HE1      TRP  21  16.677  20.649  20.349
  160    HE3  TRP  21           HE3      TRP  21  16.839  15.527  21.870
  161    HZ2  TRP  21           HZ2      TRP  21  17.233  20.313  23.181
  162    HZ3  TRP  21           HZ3      TRP  21  17.419  16.130  24.201
  163    HH2  TRP  21           HH2      TRP  21  17.604  18.519  24.873
  164    H    GLN  22           H        GLN  22  18.140  18.332  17.117
  165    HA   GLN  22           HA       GLN  22  16.789  18.859  14.600
  166    HB2  GLN  22           HB2      GLN  22  19.479  19.713  15.734
  167    HB3  GLN  22           HB3      GLN  22  18.828  20.295  14.200
  168    HG2  GLN  22           HG2      GLN  22  16.969  21.365  15.233
  169    HG3  GLN  22           HG3      GLN  22  17.229  20.550  16.774
  170   HE21  GLN  22          HE22      GLN  22  19.258  21.015  17.962
  171   HE22  GLN  22          HE21      GLN  22  19.913  22.653  17.880
  172    H    GLU  23           H        GLU  23  19.949  17.280  15.417
  173    HA   GLU  23           HA       GLU  23  20.625  16.677  12.726
  174    HB2  GLU  23           HB2      GLU  23  22.103  16.671  14.895
  175    HB3  GLU  23           HB3      GLU  23  21.453  15.042  15.123
  176    HG2  GLU  23           HG2      GLU  23  23.439  14.605  14.002
  177    HG3  GLU  23           HG3      GLU  23  22.290  14.572  12.696
  178    H    ALA  24           H        ALA  24  18.694  14.934  15.135
  179    HA   ALA  24           HA       ALA  24  18.657  12.432  13.785
  180    HB1  ALA  24           HB3      ALA  24  16.876  11.891  15.325
  181    HB2  ALA  24           HB1      ALA  24  18.082  12.913  16.153
  182    HB3  ALA  24           HB2      ALA  24  16.537  13.612  15.626
  183    H    ILE  25           H        ILE  25  16.605  15.360  13.459
  184    HA   ILE  25           HA       ILE  25  14.856  14.242  11.440
  185    HB   ILE  25           HB       ILE  25  15.747  17.127  11.720
  186   HG12  ILE  25          HG12      ILE  25  14.336  15.701  13.730
  187   HG13  ILE  25          HG13      ILE  25  14.720  17.413  13.631
  188   HG21  ILE  25          HG21      ILE  25  14.661  16.601   9.599
  189   HG22  ILE  25          HG22      ILE  25  13.266  15.912  10.447
  190   HG23  ILE  25          HG23      ILE  25  13.652  17.647  10.555
  191   HD11  ILE  25          HD13      ILE  25  12.203  16.074  12.599
  192   HD12  ILE  25          HD11      ILE  25  12.364  17.052  14.071
  193   HD13  ILE  25          HD12      ILE  25  12.569  17.820  12.489
  194    H    ASP  26           H        ASP  26  17.950  16.075  11.420
  195    HA   ASP  26           HA       ASP  26  18.228  16.352   8.651
  196    HB2  ASP  26           HB2      ASP  26  19.644  17.292  10.646
  197    HB3  ASP  26           HB3      ASP  26  20.644  15.860  10.407
  198    H    PHE  27           H        PHE  27  19.395  13.666  10.732
  199    HA   PHE  27           HA       PHE  27  20.335  12.041   8.589
  200    HB2  PHE  27           HB2      PHE  27  19.701  11.593  11.515
  201    HB3  PHE  27           HB3      PHE  27  20.005  10.222  10.465
  202    HD1  PHE  27           HD2      PHE  27  22.106  10.525   8.815
  203    HD2  PHE  27           HD1      PHE  27  21.727  12.384  12.721
  204    HE1  PHE  27           HE2      PHE  27  24.566  10.703   8.989
  205    HE2  PHE  27           HE1      PHE  27  24.172  12.512  12.871
  206    HZ   PHE  27           HZ       PHE  27  25.607  11.691  11.021
  207    H    SER  28           H        SER  28  17.048  12.448   9.971
  208    HA   SER  28           HA       SER  28  15.912  10.131   8.682
  209    HB2  SER  28           HB2      SER  28  14.486  12.758   9.380
  210    HB3  SER  28           HB3      SER  28  13.743  11.214   9.055
  211    HG   SER  28           HG       SER  28  15.546  11.759  11.211
  212    H    MET  29           H        MET  29  16.950  13.268   7.475
  213    HA   MET  29           HA       MET  29  15.383  12.816   4.965
  214    HB2  MET  29           HB2      MET  29  16.409  15.400   6.101
  215    HB3  MET  29           HB3      MET  29  15.228  15.153   4.795
  216    HG2  MET  29           HG2      MET  29  14.473  14.260   7.554
  217    HG3  MET  29           HG3      MET  29  14.554  15.973   7.194
  218    HE1  MET  29           HE3      MET  29  12.518  12.909   7.140
  219    HE2  MET  29           HE1      MET  29  11.496  13.014   5.684
  220    HE3  MET  29           HE2      MET  29  13.260  12.714   5.519
  221    H    VAL  30           H        VAL  30  18.737  13.356   6.081
  222    HA   VAL  30           HA       VAL  30  19.664  14.682   3.836
  223    HB   VAL  30           HB       VAL  30  20.937  14.414   5.911
  224   HG11  VAL  30          HG11      VAL  30  20.547  11.962   6.300
  225   HG12  VAL  30          HG12      VAL  30  21.650  11.603   4.956
  226   HG13  VAL  30          HG13      VAL  30  22.252  12.430   6.407
  227   HG21  VAL  30          HG23      VAL  30  22.037  15.141   3.811
  228   HG22  VAL  30          HG21      VAL  30  23.150  14.282   4.895
  229   HG23  VAL  30          HG22      VAL  30  22.486  13.466   3.461
  230    H    SER  31           H        SER  31  19.190  11.121   4.160
  231    HA   SER  31           HA       SER  31  20.531  10.416   1.809
  232    HB2  SER  31           HB2      SER  31  17.991   9.155   2.925
  233    HB3  SER  31           HB3      SER  31  19.239   8.383   1.926
  234    HG   SER  31           HG       SER  31  20.158   7.909   3.722
  235    H    LEU  32           H        LEU  32  17.430  12.019   2.222
  236    HA   LEU  32           HA       LEU  32  16.629  11.609  -0.592
  237    HB2  LEU  32           HB2      LEU  32  15.379  13.054   1.796
  238    HB3  LEU  32           HB3      LEU  32  14.677  13.120   0.207
  239    HG   LEU  32           HG       LEU  32  15.219  10.509   1.682
  240   HD11  LEU  32          HD11      LEU  32  12.822  10.461   2.206
  241   HD12  LEU  32          HD12      LEU  32  13.608  11.860   2.949
  242   HD13  LEU  32          HD13      LEU  32  12.617  12.074   1.490
  243   HD21  LEU  32          HD23      LEU  32  14.994  10.354  -0.844
  244   HD22  LEU  32          HD21      LEU  32  13.807   9.471   0.072
  245   HD23  LEU  32          HD22      LEU  32  13.358  11.026  -0.673
  246    H    LEU  33           H        LEU  33  17.849  14.155   1.617
  247    HA   LEU  33           HA       LEU  33  17.809  16.312  -0.134
  248    HB2  LEU  33           HB2      LEU  33  18.411  16.273   2.326
  249    HB3  LEU  33           HB3      LEU  33  19.997  15.667   1.865
  250    HG   LEU  33           HG       LEU  33  20.367  17.765   0.532
  251   HD11  LEU  33          HD11      LEU  33  18.034  18.449   0.145
  252   HD12  LEU  33          HD12      LEU  33  17.810  18.709   1.892
  253   HD13  LEU  33          HD13      LEU  33  18.942  19.707   0.949
  254   HD21  LEU  33          HD23      LEU  33  20.927  19.110   2.441
  255   HD22  LEU  33          HD21      LEU  33  19.813  18.190   3.477
  256   HD23  LEU  33          HD22      LEU  33  21.259  17.421   2.799
  257    H    ASP  34           H        ASP  34  20.240  13.759   0.283
  258    HA   ASP  34           HA       ASP  34  22.290  14.824  -1.284
  259    HB2  ASP  34           HB2      ASP  34  22.697  13.116   0.382
  260    HB3  ASP  34           HB3      ASP  34  21.563  12.007  -0.379
  261    H    LYS  35           H        LYS  35  19.492  13.053  -2.358
  262    HA   LYS  35           HA       LYS  35  20.615  13.179  -5.141
  263    HB2  LYS  35           HB2      LYS  35  18.314  11.404  -4.392
  264    HB3  LYS  35           HB3      LYS  35  19.191  11.477  -5.899
  265    HG2  LYS  35           HG2      LYS  35  19.970   9.526  -4.973
  266    HG3  LYS  35           HG3      LYS  35  21.259  10.668  -4.550
  267    HD2  LYS  35           HD2      LYS  35  20.439  10.814  -2.265
  268    HD3  LYS  35           HD3      LYS  35  18.926  10.020  -2.701
  269    HE2  LYS  35           HE2      LYS  35  20.266   8.538  -1.433
  270    HE3  LYS  35           HE3      LYS  35  20.094   7.909  -3.068
  271    HZ1  LYS  35           HZ3      LYS  35  22.338   8.516  -3.533
  272    HZ2  LYS  35           HZ1      LYS  35  22.478   9.463  -2.206
  273    HZ3  LYS  35           HZ2      LYS  35  22.391   7.822  -2.045
  274    H    ASN  36           H        ASN  36  19.348  15.270  -3.417
  275    HA   ASN  36           HA       ASN  36  17.756  16.788  -3.404
  276    HB2  ASN  36           HB2      ASN  36  17.327  18.034  -5.517
  277    HB3  ASN  36           HB3      ASN  36  18.977  17.870  -4.969
  278   HD21  ASN  36          HD22      ASN  36  20.384  16.421  -6.030
  279   HD22  ASN  36          HD21      ASN  36  20.143  15.987  -7.713
  280    H    TYR  37           H        TYR  37  16.479  14.406  -2.986
  281    HA   TYR  37           HA       TYR  37  13.937  14.392  -4.472
  282    HB2  TYR  37           HB2      TYR  37  14.921  13.127  -1.896
  283    HB3  TYR  37           HB3      TYR  37  13.223  13.122  -2.301
  284    HD1  TYR  37           HD2      TYR  37  16.538  11.675  -3.151
  285    HD2  TYR  37           HD1      TYR  37  12.290  11.602  -3.890
  286    HE1  TYR  37           HE2      TYR  37  16.830   9.726  -4.661
  287    HE2  TYR  37           HE1      TYR  37  12.595   9.691  -5.441
  288    HH   TYR  37           HH       TYR  37  14.105   8.278  -6.489
  289    H    ILE  38           H        ILE  38  15.431  16.326  -2.057
  290    HA   ILE  38           HA       ILE  38  13.010  17.937  -1.612
  291    HB   ILE  38           HB       ILE  38  13.563  18.028   0.830
  292   HG12  ILE  38          HG12      ILE  38  15.447  15.708   0.216
  293   HG13  ILE  38          HG13      ILE  38  15.939  17.351   0.641
  294   HG21  ILE  38          HG21      ILE  38  12.590  15.926   1.533
  295   HG22  ILE  38          HG22      ILE  38  11.764  16.496   0.090
  296   HG23  ILE  38          HG23      ILE  38  12.955  15.173  -0.024
  297   HD11  ILE  38          HD13      ILE  38  16.201  15.956   2.503
  298   HD12  ILE  38          HD11      ILE  38  14.867  17.096   2.844
  299   HD13  ILE  38          HD12      ILE  38  14.535  15.382   2.451
  300    H    SER  39           H        SER  39  13.687  20.007  -0.513
  301    HA   SER  39           HA       SER  39  16.477  20.889  -1.102
  302    HB2  SER  39           HB2      SER  39  13.943  22.506  -0.555
  303    HB3  SER  39           HB3      SER  39  15.532  23.156  -0.996
  304    HG   SER  39           HG       SER  39  14.127  23.024  -2.788
  305    H    GLU  40           H        GLU  40  17.444  22.294   0.664
  306    HA   GLU  40           HA       GLU  40  17.375  20.940   3.128
  307    HB2  GLU  40           HB2      GLU  40  18.404  23.728   2.462
  308    HB3  GLU  40           HB3      GLU  40  18.742  22.859   3.966
  309    HG2  GLU  40           HG2      GLU  40  19.813  21.024   2.664
  310    HG3  GLU  40           HG3      GLU  40  19.535  21.912   1.174
  311    H    ASN  41           H        ASN  41  15.495  23.783   2.117
  312    HA   ASN  41           HA       ASN  41  14.563  24.665   4.636
  313    HB2  ASN  41           HB2      ASN  41  14.119  25.873   2.521
  314    HB3  ASN  41           HB3      ASN  41  13.068  24.563   1.969
  315   HD21  ASN  41          HD22      ASN  41  10.898  24.348   2.916
  316   HD22  ASN  41          HD21      ASN  41  10.266  25.618   3.933
  317    H    TYR  42           H        TYR  42  13.525  21.880   2.680
  318    HA   TYR  42           HA       TYR  42  11.035  21.334   3.923
  319    HB2  TYR  42           HB2      TYR  42  11.936  20.370   1.790
  320    HB3  TYR  42           HB3      TYR  42  13.113  19.456   2.724
  321    HD1  TYR  42           HD2      TYR  42   9.519  19.821   1.971
  322    HD2  TYR  42           HD1      TYR  42  12.564  17.426   3.866
  323    HE1  TYR  42           HE2      TYR  42   7.953  17.885   2.058
  324    HE2  TYR  42           HE1      TYR  42  11.008  15.504   3.970
  325    HH   TYR  42           HH       TYR  42   8.926  14.676   3.392
  326    H    ILE  43           H        ILE  43  14.353  20.252   4.636
  327    HA   ILE  43           HA       ILE  43  13.824  18.528   6.811
  328    HB   ILE  43           HB       ILE  43  16.318  20.150   6.263
  329   HG12  ILE  43          HG12      ILE  43  15.228  17.527   5.163
  330   HG13  ILE  43          HG13      ILE  43  15.653  18.975   4.242
  331   HG21  ILE  43          HG21      ILE  43  16.090  19.026   8.536
  332   HG22  ILE  43          HG22      ILE  43  16.007  17.476   7.695
  333   HG23  ILE  43          HG23      ILE  43  17.461  18.484   7.561
  334   HD11  ILE  43          HD13      ILE  43  17.995  18.683   4.788
  335   HD12  ILE  43          HD11      ILE  43  17.598  17.172   5.652
  336   HD13  ILE  43          HD12      ILE  43  17.276  17.300   3.912
  337    H    GLN  44           H        GLN  44  14.762  22.025   6.661
  338    HA   GLN  44           HA       GLN  44  14.717  22.281   9.487
  339    HB2  GLN  44           HB2      GLN  44  15.981  23.716   7.720
  340    HB3  GLN  44           HB3      GLN  44  14.492  24.652   7.620
  341    HG2  GLN  44           HG2      GLN  44  16.050  25.684   9.220
  342    HG3  GLN  44           HG3      GLN  44  14.639  25.097  10.086
  343   HE21  GLN  44          HE22      GLN  44  15.227  24.139  12.062
  344   HE22  GLN  44          HE21      GLN  44  16.631  23.134  12.303
  345    H    ALA  45           H        ALA  45  12.116  22.645   7.124
  346    HA   ALA  45           HA       ALA  45  10.243  23.989   8.740
  347    HB1  ALA  45           HB3      ALA  45   9.658  21.675   6.823
  348    HB2  ALA  45           HB1      ALA  45   8.524  22.901   7.382
  349    HB3  ALA  45           HB2      ALA  45   9.876  23.376   6.333
  350    H    ILE  46           H        ILE  46  11.138  20.485   8.670
  351    HA   ILE  46           HA       ILE  46   9.111  19.741  10.584
  352    HB   ILE  46           HB       ILE  46  11.697  18.286   9.939
  353   HG12  ILE  46          HG12      ILE  46   9.060  17.814   8.531
  354   HG13  ILE  46          HG13      ILE  46  10.348  18.778   7.838
  355   HG21  ILE  46          HG21      ILE  46  10.350  17.575  11.968
  356   HG22  ILE  46          HG22      ILE  46   8.989  17.229  10.890
  357   HG23  ILE  46          HG23      ILE  46  10.504  16.309  10.756
  358   HD11  ILE  46          HD13      ILE  46  10.662  15.835   8.547
  359   HD12  ILE  46          HD11      ILE  46  10.457  16.519   6.932
  360   HD13  ILE  46          HD12      ILE  46  11.905  16.900   7.884
  361    H    LYS  47           H        LYS  47  12.679  20.410  10.744
  362    HA   LYS  47           HA       LYS  47  12.956  19.824  13.480
  363    HB2  LYS  47           HB2      LYS  47  14.368  21.855  11.711
  364    HB3  LYS  47           HB3      LYS  47  14.927  21.488  13.343
  365    HG2  LYS  47           HG2      LYS  47  15.612  19.278  12.717
  366    HG3  LYS  47           HG3      LYS  47  14.800  19.400  11.139
  367    HD2  LYS  47           HD2      LYS  47  16.272  21.148  10.429
  368    HD3  LYS  47           HD3      LYS  47  17.083  21.207  12.011
  369    HE2  LYS  47           HE2      LYS  47  18.137  19.088  11.630
  370    HE3  LYS  47           HE3      LYS  47  17.154  18.766  10.206
  371    HZ1  LYS  47           HZ3      LYS  47  18.276  20.774   9.198
  372    HZ2  LYS  47           HZ1      LYS  47  19.276  20.821  10.481
  373    HZ3  LYS  47           HZ2      LYS  47  19.292  19.526   9.473
  374    H    ASP  48           H        ASP  48  12.205  22.976  11.893
  375    HA   ASP  48           HA       ASP  48  12.198  24.543  14.247
  376    HB2  ASP  48           HB2      ASP  48  12.378  25.508  12.015
  377    HB3  ASP  48           HB3      ASP  48  10.772  24.908  11.585
  378    H    SER  49           H        SER  49   9.505  22.866  12.528
  379    HA   SER  49           HA       SER  49   7.422  23.727  14.279
  380    HB2  SER  49           HB2      SER  49   7.637  21.111  12.723
  381    HB3  SER  49           HB3      SER  49   6.161  21.880  13.332
  382    HG   SER  49           HG       SER  49   7.875  22.695  11.242
  383    H    THR  50           H        THR  50   9.588  20.864  14.365
  384    HA   THR  50           HA       THR  50   8.502  19.656  16.655
  385    HB   THR  50           HB       THR  50  11.309  19.541  15.495
  386    HG1  THR  50           HG1      THR  50   9.877  18.891  14.003
  387   HG21  THR  50          HG23      THR  50  11.320  17.246  16.505
  388   HG22  THR  50          HG21      THR  50  11.435  18.565  17.684
  389   HG23  THR  50          HG22      THR  50   9.898  17.703  17.464
  390    H    ILE  51           H        ILE  51  11.136  22.116  16.394
  391    HA   ILE  51           HA       ILE  51  11.654  22.220  19.212
  392    HB   ILE  51           HB       ILE  51  12.108  24.154  16.911
  393   HG12  ILE  51          HG12      ILE  51  14.134  22.553  18.542
  394   HG13  ILE  51          HG13      ILE  51  13.378  21.900  17.099
  395   HG21  ILE  51          HG21      ILE  51  13.626  25.445  18.403
  396   HG22  ILE  51          HG22      ILE  51  11.962  25.536  18.944
  397   HG23  ILE  51          HG23      ILE  51  13.100  24.458  19.783
  398   HD11  ILE  51          HD13      ILE  51  15.158  24.365  17.196
  399   HD12  ILE  51          HD11      ILE  51  15.520  22.787  16.492
  400   HD13  ILE  51          HD12      ILE  51  14.270  23.805  15.756
  401    H    ASN  52           H        ASN  52   9.363  23.989  17.095
  402    HA   ASN  52           HA       ASN  52   8.616  25.935  19.036
  403    HB2  ASN  52           HB2      ASN  52   7.503  24.980  16.391
  404    HB3  ASN  52           HB3      ASN  52   6.416  25.866  17.419
  405   HD21  ASN  52          HD22      ASN  52   9.570  26.097  15.770
  406   HD22  ASN  52          HD21      ASN  52   9.636  27.844  15.752
  407    H    ASN  53           H        ASN  53   7.125  22.793  18.193
  408    HA   ASN  53           HA       ASN  53   5.191  23.148  20.464
  409    HB2  ASN  53           HB2      ASN  53   4.445  24.028  18.202
  410    HB3  ASN  53           HB3      ASN  53   4.649  22.396  17.577
  411   HD21  ASN  53          HD21      ASN  53   2.522  22.565  16.896
  412   HD22  ASN  53          HD22      ASN  53   1.156  22.323  17.982
  413    H    GLY  54           H        GLY  54   7.577  21.182  19.516
  414    HA2  GLY  54           HA2      GLY  54   8.045  18.998  20.166
  415    HA3  GLY  54           HA3      GLY  54   6.345  18.705  20.557
  416    HA   PRO  55           HA       PRO  55   7.793  17.187  16.277
  417    HB2  PRO  55           HB2      PRO  55   7.513  14.447  16.603
  418    HB3  PRO  55           HB3      PRO  55   8.999  15.365  16.977
  419    HG2  PRO  55           HG2      PRO  55   6.806  14.506  18.870
  420    HG3  PRO  55           HG3      PRO  55   8.582  14.371  19.069
  421    HD2  PRO  55           HD2      PRO  55   7.135  16.391  20.209
  422    HD3  PRO  55           HD3      PRO  55   8.771  16.707  19.557
  423    H    TYR  56           H        TYR  56   6.573  16.235  14.563
  424    HA   TYR  56           HA       TYR  56   3.633  16.538  15.013
  425    HB2  TYR  56           HB2      TYR  56   5.531  17.331  12.795
  426    HB3  TYR  56           HB3      TYR  56   3.843  17.049  12.432
  427    HD1  TYR  56           HD2      TYR  56   5.908  18.946  14.955
  428    HD2  TYR  56           HD1      TYR  56   2.371  18.834  12.494
  429    HE1  TYR  56           HE2      TYR  56   5.267  21.182  15.784
  430    HE2  TYR  56           HE1      TYR  56   1.750  21.104  13.266
  431    HH   TYR  56           HH       TYR  56   2.359  22.928  14.579
  432    H    TYR  57           H        TYR  57   5.922  14.136  14.234
  433    HA   TYR  57           HA       TYR  57   3.918  12.478  12.793
  434    HB2  TYR  57           HB2      TYR  57   6.720  13.146  11.904
  435    HB3  TYR  57           HB3      TYR  57   5.812  11.733  11.369
  436    HD1  TYR  57           HD2      TYR  57   3.852  11.881   9.948
  437    HD2  TYR  57           HD1      TYR  57   5.980  15.439  11.160
  438    HE1  TYR  57           HE2      TYR  57   2.591  13.192   8.278
  439    HE2  TYR  57           HE1      TYR  57   4.745  16.752   9.466
  440    HH   TYR  57           HH       TYR  57   2.170  15.324   7.408
  441    H    ILE  58           H        ILE  58   3.626  11.503  14.897
  442    HA   ILE  58           HA       ILE  58   5.794   9.641  15.720
  443    HB   ILE  58           HB       ILE  58   3.878  11.125  17.561
  444   HG12  ILE  58          HG12      ILE  58   5.603  12.689  16.849
  445   HG13  ILE  58          HG13      ILE  58   5.785  12.257  18.531
  446   HG21  ILE  58          HG21      ILE  58   6.037   9.054  18.165
  447   HG22  ILE  58          HG22      ILE  58   5.242  10.068  19.393
  448   HG23  ILE  58          HG23      ILE  58   4.298   8.917  18.448
  449   HD11  ILE  58          HD13      ILE  58   7.985  12.343  17.543
  450   HD12  ILE  58          HD11      ILE  58   7.632  10.649  17.864
  451   HD13  ILE  58          HD12      ILE  58   7.495  11.286  16.218
  452    H    LEU  59           H        LEU  59   4.995   7.557  16.102
  453    HA   LEU  59           HA       LEU  59   2.130   7.121  15.315
  454    HB2  LEU  59           HB2      LEU  59   4.605   5.741  14.276
  455    HB3  LEU  59           HB3      LEU  59   2.959   5.157  14.074
  456    HG   LEU  59           HG       LEU  59   2.636   7.807  13.325
  457   HD11  LEU  59          HD11      LEU  59   5.366   6.970  12.268
  458   HD12  LEU  59          HD12      LEU  59   4.443   8.442  11.856
  459   HD13  LEU  59          HD13      LEU  59   5.074   8.228  13.475
  460   HD21  LEU  59          HD23      LEU  59   2.411   6.996  11.088
  461   HD22  LEU  59          HD21      LEU  59   3.310   5.508  11.490
  462   HD23  LEU  59          HD22      LEU  59   1.737   5.854  12.250
  463    H    ALA  60           H        ALA  60   4.838   6.078  17.333
  464    HA   ALA  60           HA       ALA  60   3.115   4.546  19.049
  465    HB1  ALA  60           HB3      ALA  60   3.551   2.814  17.299
  466    HB2  ALA  60           HB1      ALA  60   5.297   3.099  17.446
  467    HB3  ALA  60           HB2      ALA  60   4.401   2.398  18.792
  468    HA   PRO  61           HA       PRO  61   6.454   5.893  21.753
  469    HB2  PRO  61           HB2      PRO  61   6.882   3.685  23.403
  470    HB3  PRO  61           HB3      PRO  61   5.583   4.904  23.606
  471    HG2  PRO  61           HG2      PRO  61   5.418   2.193  22.275
  472    HG3  PRO  61           HG3      PRO  61   4.269   2.940  23.432
  473    HD2  PRO  61           HD2      PRO  61   3.791   2.981  20.781
  474    HD3  PRO  61           HD3      PRO  61   3.431   4.418  21.775
  475    H    GLY  62           H        GLY  62   8.377   6.157  20.785
  476    HA2  GLY  62           HA2      GLY  62  10.602   5.460  20.434
  477    HA3  GLY  62           HA3      GLY  62  10.077   3.806  20.181
  478    H    VAL  63           H        VAL  63   7.886   5.573  18.337
  479    HA   VAL  63           HA       VAL  63   9.573   5.249  15.891
  480    HB   VAL  63           HB       VAL  63   6.674   4.440  16.313
  481   HG11  VAL  63          HG11      VAL  63   8.526   3.828  13.980
  482   HG12  VAL  63          HG12      VAL  63   6.847   3.281  14.146
  483   HG13  VAL  63          HG13      VAL  63   7.192   4.997  13.946
  484   HG21  VAL  63          HG23      VAL  63   9.156   2.666  16.183
  485   HG22  VAL  63          HG21      VAL  63   8.112   2.910  17.604
  486   HG23  VAL  63          HG22      VAL  63   7.472   2.099  16.193
  487    H    ALA  64           H        ALA  64   9.566   6.920  14.547
  488    HA   ALA  64           HA       ALA  64   7.348   8.880  14.522
  489    HB1  ALA  64           HB3      ALA  64   8.996  10.702  14.335
  490    HB2  ALA  64           HB1      ALA  64   9.300   9.786  15.815
  491    HB3  ALA  64           HB2      ALA  64  10.325   9.533  14.377
  492    H    MET  65           H        MET  65   7.470  10.223  12.502
  493    HA   MET  65           HA       MET  65   8.630   8.779  10.207
  494    HB2  MET  65           HB2      MET  65   6.368   7.955  10.574
  495    HB3  MET  65           HB3      MET  65   5.743   9.595  10.345
  496    HG2  MET  65           HG2      MET  65   7.241   9.235   8.059
  497    HG3  MET  65           HG3      MET  65   6.763   7.582   8.410
  498    HE1  MET  65           HE3      MET  65   3.617   8.496   9.808
  499    HE2  MET  65           HE1      MET  65   2.845   7.823   8.350
  500    HE3  MET  65           HE2      MET  65   4.232   6.999   9.072
  501    HA   PRO  66           HA       PRO  66   8.904  13.555  10.306
  502    HB2  PRO  66           HB2      PRO  66  11.683  12.752   9.325
  503    HB3  PRO  66           HB3      PRO  66  11.223  14.222  10.237
  504    HG2  PRO  66           HG2      PRO  66  12.278  12.134  11.561
  505    HG3  PRO  66           HG3      PRO  66  10.827  12.945  12.231
  506    HD2  PRO  66           HD2      PRO  66  10.979  10.374  10.654
  507    HD3  PRO  66           HD3      PRO  66  10.030  10.757  12.114
  508    H    HIS  67           H        HIS  67   8.610  14.842   8.617
  509    HA   HIS  67           HA       HIS  67   8.893  14.560   5.837
  510    HB2  HIS  67           HB2      HIS  67   7.495  12.655   5.729
  511    HB3  HIS  67           HB3      HIS  67   6.518  13.166   7.090
  512    HD1  HIS  67           HD1      HIS  67   4.451  14.735   6.638
  513    HD2  HIS  67           HD2      HIS  67   6.680  13.710   3.204
  514    HE1  HIS  67           HE1      HIS  67   2.991  15.259   4.630
  515    H    ALA  68           H        ALA  68   7.631  16.325   4.818
  516    HA   ALA  68           HA       ALA  68   6.066  18.104   6.556
  517    HB1  ALA  68           HB3      ALA  68   8.308  19.138   6.601
  518    HB2  ALA  68           HB1      ALA  68   8.380  19.079   4.828
  519    HB3  ALA  68           HB2      ALA  68   7.177  20.099   5.643
  520    H    ARG  69           H        ARG  69   4.713  19.537   5.091
  521    HA   ARG  69           HA       ARG  69   3.523  17.908   3.087
  522    HB2  ARG  69           HB2      ARG  69   3.354  20.861   3.778
  523    HB3  ARG  69           HB3      ARG  69   2.452  20.224   2.398
  524    HG2  ARG  69           HG2      ARG  69   2.200  19.117   5.229
  525    HG3  ARG  69           HG3      ARG  69   1.150  20.380   4.580
  526    HD2  ARG  69           HD2      ARG  69   0.200  18.928   2.939
  527    HD3  ARG  69           HD3      ARG  69   1.457  17.710   3.175
  528    HE   ARG  69           HE       ARG  69  -0.272  18.351   5.480
  529   HH11  ARG  69          HH21      ARG  69   0.383  16.092   2.820
  530   HH12  ARG  69          HH22      ARG  69  -0.252  14.708   3.639
  531   HH21  ARG  69          HH11      ARG  69  -1.255  16.535   6.515
  532   HH22  ARG  69          HH12      ARG  69  -1.315  15.006   5.724
  533    HA   PRO  70           HA       PRO  70   6.074  18.068  -0.408
  534    HB2  PRO  70           HB2      PRO  70   3.635  19.153  -1.901
  535    HB3  PRO  70           HB3      PRO  70   4.810  17.938  -2.462
  536    HG2  PRO  70           HG2      PRO  70   2.448  17.145  -1.411
  537    HG3  PRO  70           HG3      PRO  70   3.946  16.309  -0.892
  538    HD2  PRO  70           HD2      PRO  70   2.370  18.419   0.572
  539    HD3  PRO  70           HD3      PRO  70   3.209  16.968   1.203
  540    H    GLU  71           H        GLU  71   3.908  20.927  -0.141
  541    HA   GLU  71           HA       GLU  71   5.331  22.765  -1.707
  542    HB2  GLU  71           HB2      GLU  71   3.538  23.254   0.713
  543    HB3  GLU  71           HB3      GLU  71   3.959  24.459  -0.501
  544    HG2  GLU  71           HG2      GLU  71   2.330  21.926  -0.982
  545    HG3  GLU  71           HG3      GLU  71   1.700  23.557  -0.839
  546    H    CYS  72           H        CYS  72   6.307  21.510   1.364
  547    HA   CYS  72           HA       CYS  72   7.665  23.942   2.284
  548    HB2  CYS  72           HB2      CYS  72   7.743  21.067   3.305
  549    HB3  CYS  72           HB3      CYS  72   8.461  22.472   4.107
  550    HG   CYS  72           HG       CYS  72   6.242  23.839   4.366
  551    H    GLY  73           H        GLY  73   8.342  21.778  -0.187
  552    HA2  GLY  73           HA2      GLY  73  10.412  22.537  -1.334
  553    HA3  GLY  73           HA3      GLY  73  11.302  22.182   0.149
  554    H    ALA  74           H        ALA  74   8.688  19.965  -0.861
  555    HA   ALA  74           HA       ALA  74  10.660  17.832  -1.321
  556    HB1  ALA  74           HB3      ALA  74   7.693  17.889  -1.942
  557    HB2  ALA  74           HB1      ALA  74   8.750  16.467  -1.902
  558    HB3  ALA  74           HB2      ALA  74   8.390  17.332  -0.392
  559    H    LEU  75           H        LEU  75  11.141  16.945  -3.323
  560    HA   LEU  75           HA       LEU  75  10.494  18.590  -5.738
  561    HB2  LEU  75           HB2      LEU  75  13.140  17.301  -4.990
  562    HB3  LEU  75           HB3      LEU  75  12.812  18.171  -6.479
  563    HG   LEU  75           HG       LEU  75  12.808  19.404  -3.686
  564   HD11  LEU  75          HD11      LEU  75  14.864  19.523  -5.940
  565   HD12  LEU  75          HD12      LEU  75  14.934  20.455  -4.429
  566   HD13  LEU  75          HD13      LEU  75  15.047  18.696  -4.380
  567   HD21  LEU  75          HD23      LEU  75  12.624  20.717  -6.444
  568   HD22  LEU  75          HD21      LEU  75  11.331  20.660  -5.226
  569   HD23  LEU  75          HD22      LEU  75  12.802  21.574  -4.896
  570    H    LYS  76           H        LYS  76  11.243  15.387  -4.360
  571    HA   LYS  76           HA       LYS  76   9.955  14.100  -6.657
  572    HB2  LYS  76           HB2      LYS  76  12.578  13.180  -5.483
  573    HB3  LYS  76           HB3      LYS  76  11.748  12.456  -6.856
  574    HG2  LYS  76           HG2      LYS  76  12.337  14.444  -8.222
  575    HG3  LYS  76           HG3      LYS  76  13.042  15.225  -6.790
  576    HD2  LYS  76           HD2      LYS  76  14.643  13.275  -6.587
  577    HD3  LYS  76           HD3      LYS  76  14.092  12.746  -8.195
  578    HE2  LYS  76           HE2      LYS  76  14.787  14.903  -9.164
  579    HE3  LYS  76           HE3      LYS  76  15.146  15.539  -7.554
  580    HZ1  LYS  76           HZ3      LYS  76  17.150  14.926  -8.537
  581    HZ2  LYS  76           HZ1      LYS  76  16.896  13.847  -7.357
  582    HZ3  LYS  76           HZ2      LYS  76  16.650  13.403  -8.931
  583    H    THR  77           H        THR  77   9.078  11.963  -6.006
  584    HA   THR  77           HA       THR  77   8.557  11.815  -3.200
  585    HB   THR  77           HB       THR  77   7.702  10.229  -5.638
  586    HG1  THR  77           HG1      THR  77   6.194  11.651  -5.847
  587   HG21  THR  77          HG23      THR  77   5.878   9.368  -4.287
  588   HG22  THR  77          HG21      THR  77   7.404   8.951  -3.514
  589   HG23  THR  77          HG22      THR  77   6.439  10.305  -2.871
  590    H    GLY  78           H        GLY  78   9.577  10.515  -1.716
  591    HA2  GLY  78           HA2      GLY  78  10.859   8.034  -2.369
  592    HA3  GLY  78           HA3      GLY  78  12.042   9.339  -2.175
  593    H    MET  79           H        MET  79  12.371   7.477  -0.327
  594    HA   MET  79           HA       MET  79  11.232   8.548   2.185
  595    HB2  MET  79           HB2      MET  79  10.997   5.717   1.073
  596    HB3  MET  79           HB3      MET  79  10.953   6.046   2.780
  597    HG2  MET  79           HG2      MET  79   9.088   7.725   2.327
  598    HG3  MET  79           HG3      MET  79   9.020   7.108   0.688
  599    HE1  MET  79           HE3      MET  79   9.634   5.549   4.207
  600    HE2  MET  79           HE1      MET  79   8.311   6.706   4.388
  601    HE3  MET  79           HE2      MET  79   8.060   4.959   4.634
  602    H    SER  80           H        SER  80  12.181   7.465   4.097
  603    HA   SER  80           HA       SER  80  14.923   6.440   3.798
  604    HB2  SER  80           HB2      SER  80  14.312   8.475   5.941
  605    HB3  SER  80           HB3      SER  80  15.882   7.940   5.350
  606    HG   SER  80           HG       SER  80  15.027  10.092   4.782
  607    H    LEU  81           H        LEU  81  15.598   5.341   5.816
  608    HA   LEU  81           HA       LEU  81  13.583   4.770   7.875
  609    HB2  LEU  81           HB2      LEU  81  13.446   3.048   6.070
  610    HB3  LEU  81           HB3      LEU  81  15.174   2.742   6.207
  611    HG   LEU  81           HG       LEU  81  14.927   1.787   8.392
  612   HD11  LEU  81          HD11      LEU  81  12.727   1.475   9.454
  613   HD12  LEU  81          HD12      LEU  81  13.073   3.191   9.310
  614   HD13  LEU  81          HD13      LEU  81  11.962   2.394   8.165
  615   HD21  LEU  81          HD23      LEU  81  12.714   0.794   6.561
  616   HD22  LEU  81          HD21      LEU  81  14.423   0.492   6.260
  617   HD23  LEU  81          HD22      LEU  81  13.635  -0.187   7.713
  618    H    THR  82           H        THR  82  14.769   5.791   9.541
  619    HA   THR  82           HA       THR  82  17.668   5.153   9.830
  620    HB   THR  82           HB       THR  82  15.950   7.510  10.745
  621    HG1  THR  82           HG1      THR  82  17.873   7.192   8.673
  622   HG21  THR  82          HG23      THR  82  18.947   7.049  11.006
  623   HG22  THR  82          HG21      THR  82  18.122   8.614  11.253
  624   HG23  THR  82          HG22      THR  82  17.745   7.242  12.302
  625    H    LEU  83           H        LEU  83  18.356   4.201  11.755
  626    HA   LEU  83           HA       LEU  83  16.436   4.142  14.030
  627    HB2  LEU  83           HB2      LEU  83  16.671   1.893  12.881
  628    HB3  LEU  83           HB3      LEU  83  18.390   1.953  13.285
  629    HG   LEU  83           HG       LEU  83  17.588   2.238  15.764
  630   HD11  LEU  83          HD11      LEU  83  15.410   1.308  16.305
  631   HD12  LEU  83          HD12      LEU  83  15.204   2.705  15.252
  632   HD13  LEU  83          HD13      LEU  83  15.016   1.058  14.588
  633   HD21  LEU  83          HD23      LEU  83  17.357  -0.190  16.054
  634   HD22  LEU  83          HD21      LEU  83  17.135  -0.362  14.303
  635   HD23  LEU  83          HD22      LEU  83  18.678   0.223  14.950
  636    H    LEU  84           H        LEU  84  17.319   4.691  15.966
  637    HA   LEU  84           HA       LEU  84  20.252   5.259  16.211
  638    HB2  LEU  84           HB2      LEU  84  17.773   6.600  17.322
  639    HB3  LEU  84           HB3      LEU  84  19.324   6.707  18.157
  640    HG   LEU  84           HG       LEU  84  20.332   7.975  16.440
  641   HD11  LEU  84          HD11      LEU  84  19.435   7.054  14.394
  642   HD12  LEU  84          HD12      LEU  84  17.791   7.584  14.819
  643   HD13  LEU  84          HD13      LEU  84  19.061   8.776  14.441
  644   HD21  LEU  84          HD23      LEU  84  18.997   9.133  18.096
  645   HD22  LEU  84          HD21      LEU  84  18.794   9.960  16.542
  646   HD23  LEU  84          HD22      LEU  84  17.513   8.906  17.140
  647    H    GLU  85           H        GLU  85  21.163   3.795  17.709
  648    HA   GLU  85           HA       GLU  85  19.446   2.005  19.116
  649    HB2  GLU  85           HB2      GLU  85  22.423   2.469  19.056
  650    HB3  GLU  85           HB3      GLU  85  21.741   1.382  20.265
  651    HG2  GLU  85           HG2      GLU  85  21.111   1.068  17.301
  652    HG3  GLU  85           HG3      GLU  85  22.524   0.341  18.057
  653    H    GLN  86           H        GLN  86  21.131   4.931  20.141
  654    HA   GLN  86           HA       GLN  86  20.255   4.684  22.939
  655    HB2  GLN  86           HB2      GLN  86  21.403   7.002  21.329
  656    HB3  GLN  86           HB3      GLN  86  21.057   7.098  23.035
  657    HG2  GLN  86           HG2      GLN  86  22.971   5.046  21.835
  658    HG3  GLN  86           HG3      GLN  86  23.479   6.604  22.475
  659   HE21  GLN  86          HE22      GLN  86  24.700   4.474  23.534
  660   HE22  GLN  86          HE21      GLN  86  24.113   4.129  25.153
  661    H    GLY  87           H        GLY  87  18.927   5.773  19.921
  662    HA2  GLY  87           HA2      GLY  87  17.053   6.974  19.345
  663    HA3  GLY  87           HA3      GLY  87  16.470   6.815  21.012
  664    H    VAL  88           H        VAL  88  15.862   9.163  20.238
  665    HA   VAL  88           HA       VAL  88  17.584  10.802  21.872
  666    HB   VAL  88           HB       VAL  88  18.298  11.121  19.321
  667   HG11  VAL  88          HG11      VAL  88  17.164  12.855  18.162
  668   HG12  VAL  88          HG12      VAL  88  16.034  11.525  18.447
  669   HG13  VAL  88          HG13      VAL  88  15.933  13.013  19.420
  670   HG21  VAL  88          HG23      VAL  88  17.912  13.446  21.189
  671   HG22  VAL  88          HG21      VAL  88  19.248  12.262  21.183
  672   HG23  VAL  88          HG22      VAL  88  19.015  13.340  19.799
  673    H    TYR  89           H        TYR  89  16.267  12.942  22.313
  674    HA   TYR  89           HA       TYR  89  13.411  12.107  22.538
  675    HB2  TYR  89           HB2      TYR  89  14.853  11.598  24.553
  676    HB3  TYR  89           HB3      TYR  89  15.032  13.320  24.784
  677    HD1  TYR  89           HD2      TYR  89  11.676  13.124  23.636
  678    HD2  TYR  89           HD1      TYR  89  14.161  11.981  27.001
  679    HE1  TYR  89           HE2      TYR  89   9.710  13.074  25.080
  680    HE2  TYR  89           HE1      TYR  89  12.163  11.952  28.455
  681    HH   TYR  89           HH       TYR  89   8.875  12.719  27.229
  682    H    PHE  90           H        PHE  90  12.712  13.437  20.986
  683    HA   PHE  90           HA       PHE  90  13.289  16.073  20.439
  684    HB2  PHE  90           HB2      PHE  90  10.683  14.533  20.419
  685    HB3  PHE  90           HB3      PHE  90  10.849  16.135  19.692
  686    HD1  PHE  90           HD2      PHE  90  13.022  16.354  18.091
  687    HD2  PHE  90           HD1      PHE  90  10.809  12.734  18.857
  688    HE1  PHE  90           HE2      PHE  90  13.869  15.393  15.975
  689    HE2  PHE  90           HE1      PHE  90  11.636  11.789  16.712
  690    HZ   PHE  90           HZ       PHE  90  13.166  13.120  15.270
  691    HA   PRO  91           HA       PRO  91  12.506  18.389  23.927
  692    HB2  PRO  91           HB2      PRO  91  11.690  20.874  22.980
  693    HB3  PRO  91           HB3      PRO  91  13.339  20.202  22.819
  694    HG2  PRO  91           HG2      PRO  91  11.066  20.040  20.802
  695    HG3  PRO  91           HG3      PRO  91  12.752  20.614  20.527
  696    HD2  PRO  91           HD2      PRO  91  12.065  18.102  19.921
  697    HD3  PRO  91           HD3      PRO  91  13.614  18.405  20.765
  698    H    GLY  92           H        GLY  92   9.611  17.473  22.364
  699    HA2  GLY  92           HA2      GLY  92   8.114  18.168  24.804
  700    HA3  GLY  92           HA3      GLY  92   7.530  18.897  23.299
  701    H    ASN  93           H        ASN  93   8.992  15.617  23.294
  702    HA   ASN  93           HA       ASN  93   6.410  14.599  22.305
  703    HB2  ASN  93           HB2      ASN  93   8.726  14.155  21.274
  704    HB3  ASN  93           HB3      ASN  93   9.013  13.075  22.638
  705   HD21  ASN  93          HD22      ASN  93   9.077  11.220  21.296
  706   HD22  ASN  93          HD21      ASN  93   7.698  10.663  20.361
  707    H    ASP  94           H        ASP  94   5.819  12.313  23.063
  708    HA   ASP  94           HA       ASP  94   5.433  12.253  25.907
  709    HB2  ASP  94           HB2      ASP  94   3.856  11.225  24.324
  710    HB3  ASP  94           HB3      ASP  94   5.097  10.071  23.822
  711    H    GLU  95           H        GLU  95   7.648  10.486  23.738
  712    HA   GLU  95           HA       GLU  95   9.543  10.032  25.897
  713    HB2  GLU  95           HB2      GLU  95   9.153   7.865  26.274
  714    HB3  GLU  95           HB3      GLU  95   7.553   8.255  25.686
  715    HG2  GLU  95           HG2      GLU  95   7.963   7.243  23.543
  716    HG3  GLU  95           HG3      GLU  95   9.678   7.045  23.908
  717    HA   PRO  96           HA       PRO  96  12.543  10.168  22.691
  718    HB2  PRO  96           HB2      PRO  96  14.229   7.959  22.999
  719    HB3  PRO  96           HB3      PRO  96  14.290   9.447  23.990
  720    HG2  PRO  96           HG2      PRO  96  12.915   6.831  24.604
  721    HG3  PRO  96           HG3      PRO  96  13.920   7.841  25.693
  722    HD2  PRO  96           HD2      PRO  96  11.228   7.909  25.790
  723    HD3  PRO  96           HD3      PRO  96  12.168   9.415  25.988
  724    H    ILE  97           H        ILE  97  13.295   9.303  20.679
  725    HA   ILE  97           HA       ILE  97  11.614   7.105  19.523
  726    HB   ILE  97           HB       ILE  97  12.662   9.654  18.242
  727   HG12  ILE  97          HG12      ILE  97  10.778  10.245  19.592
  728   HG13  ILE  97          HG13      ILE  97  10.263  10.236  17.921
  729   HG21  ILE  97          HG21      ILE  97  11.523   8.950  16.212
  730   HG22  ILE  97          HG22      ILE  97  12.713   7.743  16.633
  731   HG23  ILE  97          HG23      ILE  97  11.006   7.431  16.964
  732   HD11  ILE  97          HD13      ILE  97   9.156   8.028  18.276
  733   HD12  ILE  97          HD11      ILE  97   9.646   8.077  19.992
  734   HD13  ILE  97          HD12      ILE  97   8.535   9.267  19.365
  735    H    LYS  98           H        LYS  98  12.679   5.497  18.655
  736    HA   LYS  98           HA       LYS  98  15.644   5.727  18.296
  737    HB2  LYS  98           HB2      LYS  98  13.807   3.314  18.462
  738    HB3  LYS  98           HB3      LYS  98  15.496   3.259  17.958
  739    HG2  LYS  98           HG2      LYS  98  16.125   4.237  20.218
  740    HG3  LYS  98           HG3      LYS  98  14.429   4.075  20.690
  741    HD2  LYS  98           HD2      LYS  98  15.620   2.169  21.536
  742    HD3  LYS  98           HD3      LYS  98  14.578   1.604  20.218
  743    HE2  LYS  98           HE2      LYS  98  16.610   1.772  18.669
  744    HE3  LYS  98           HE3      LYS  98  17.569   2.190  20.078
  745    HZ1  LYS  98           HZ3      LYS  98  16.214  -0.404  19.577
  746    HZ2  LYS  98           HZ1      LYS  98  17.822  -0.104  19.588
  747    HZ3  LYS  98           HZ2      LYS  98  16.976  -0.021  20.992
  748    H    LEU  99           H        LEU  99  12.491   5.149  16.638
  749    HA   LEU  99           HA       LEU  99  14.043   4.709  14.121
  750    HB2  LEU  99           HB2      LEU  99  12.741   2.799  15.075
  751    HB3  LEU  99           HB3      LEU  99  11.274   3.722  14.821
  752    HG   LEU  99           HG       LEU  99  11.756   1.978  13.224
  753   HD11  LEU  99          HD11      LEU  99  11.636   4.583  11.695
  754   HD12  LEU  99          HD12      LEU  99  11.016   3.013  11.211
  755   HD13  LEU  99          HD13      LEU  99  10.271   3.866  12.569
  756   HD21  LEU  99          HD23      LEU  99  13.431   1.768  11.703
  757   HD22  LEU  99          HD21      LEU  99  13.754   3.497  11.640
  758   HD23  LEU  99          HD22      LEU  99  14.316   2.535  13.014
  759    H    LEU 100           H        LEU 100  13.769   6.002  12.469
  760    HA   LEU 100           HA       LEU 100  11.499   7.933  12.456
  761    HB2  LEU 100           HB2      LEU 100  14.298   8.738  11.612
  762    HB3  LEU 100           HB3      LEU 100  12.884   9.727  11.827
  763    HG   LEU 100           HG       LEU 100  13.261   8.621  14.362
  764   HD11  LEU 100          HD11      LEU 100  15.432   7.673  13.697
  765   HD12  LEU 100          HD12      LEU 100  16.002   9.300  13.258
  766   HD13  LEU 100          HD13      LEU 100  15.609   8.913  14.948
  767   HD21  LEU 100          HD23      LEU 100  14.006  10.812  15.083
  768   HD22  LEU 100          HD21      LEU 100  14.363  11.275  13.405
  769   HD23  LEU 100          HD22      LEU 100  12.686  10.962  13.908
  770    H    ILE 101           H        ILE 101  10.358   7.154  10.708
  771    HA   ILE 101           HA       ILE 101  11.899   6.363   8.294
  772    HB   ILE 101           HB       ILE 101   9.070   5.950   9.189
  773   HG12  ILE 101          HG12      ILE 101  11.236   4.535   7.611
  774   HG13  ILE 101          HG13      ILE 101  10.488   4.082   9.136
  775   HG21  ILE 101          HG21      ILE 101   9.670   6.440   6.277
  776   HG22  ILE 101          HG22      ILE 101   8.121   5.851   6.963
  777   HG23  ILE 101          HG23      ILE 101   8.662   7.484   7.286
  778   HD11  ILE 101          HD13      ILE 101   9.824   2.548   7.411
  779   HD12  ILE 101          HD11      ILE 101   8.390   3.543   7.768
  780   HD13  ILE 101          HD12      ILE 101   9.393   3.860   6.321
  781    H    GLY 102           H        GLY 102  12.043   7.638   6.506
  782    HA2  GLY 102           HA2      GLY 102  11.203  10.492   6.805
  783    HA3  GLY 102           HA3      GLY 102  12.514   9.930   5.769
  784    H    LEU 103           H        LEU 103   9.895  11.340   5.088
  785    HA   LEU 103           HA       LEU 103   9.450   9.722   2.683
  786    HB2  LEU 103           HB2      LEU 103   7.580   9.144   4.436
  787    HB3  LEU 103           HB3      LEU 103   7.088  10.811   4.262
  788    HG   LEU 103           HG       LEU 103   6.810   8.467   2.349
  789   HD11  LEU 103          HD11      LEU 103   5.146   9.322   4.201
  790   HD12  LEU 103          HD12      LEU 103   4.864  10.698   3.148
  791   HD13  LEU 103          HD13      LEU 103   4.501   9.057   2.581
  792   HD21  LEU 103          HD23      LEU 103   5.806  10.127   0.691
  793   HD22  LEU 103          HD21      LEU 103   6.625  11.409   1.562
  794   HD23  LEU 103          HD22      LEU 103   7.549  10.073   0.784
  795    H    SER 104           H        SER 104   9.340  11.102   0.930
  796    HA   SER 104           HA       SER 104   8.602  13.921   1.289
  797    HB2  SER 104           HB2      SER 104  10.319  14.653  -0.265
  798    HB3  SER 104           HB3      SER 104  11.075  13.901   1.147
  799    HG   SER 104           HG       SER 104  10.950  13.047  -1.518
  800    H    ALA 105           H        ALA 105   7.414  14.685  -0.584
  801    HA   ALA 105           HA       ALA 105   6.899  12.716  -2.704
  802    HB1  ALA 105           HB3      ALA 105   4.459  12.893  -2.345
  803    HB2  ALA 105           HB1      ALA 105   5.261  12.107  -0.969
  804    HB3  ALA 105           HB2      ALA 105   4.744  13.812  -0.855
  805    H    ALA 106           H        ALA 106   6.565  13.746  -4.612
  806    HA   ALA 106           HA       ALA 106   6.834  16.626  -4.630
  807    HB1  ALA 106           HB3      ALA 106   7.915  15.194  -6.343
  808    HB2  ALA 106           HB1      ALA 106   6.318  14.646  -6.906
  809    HB3  ALA 106           HB2      ALA 106   6.800  16.345  -7.096
  810    H    ASP 107           H        ASP 107   4.128  14.427  -4.543
  811    HA   ASP 107           HA       ASP 107   2.243  16.688  -4.925
  812    HB2  ASP 107           HB2      ASP 107   2.436  15.597  -7.138
  813    HB3  ASP 107           HB3      ASP 107   2.062  14.035  -6.409
  814    H    ALA 108           H        ALA 108   0.166  16.294  -3.930
  815    HA   ALA 108           HA       ALA 108   0.367  15.029  -1.434
  816    HB1  ALA 108           HB3      ALA 108  -2.034  15.551  -1.220
  817    HB2  ALA 108           HB1      ALA 108  -1.140  16.925  -1.899
  818    HB3  ALA 108           HB2      ALA 108  -2.127  15.888  -2.960
  819    H    ASP 109           H        ASP 109  -0.921  13.720  -4.514
  820    HA   ASP 109           HA       ASP 109  -2.125  11.407  -3.156
  821    HB2  ASP 109           HB2      ASP 109  -3.071  12.142  -5.225
  822    HB3  ASP 109           HB3      ASP 109  -1.511  11.956  -6.062
  823    H    SER 110           H        SER 110   0.993  12.199  -4.648
  824    HA   SER 110           HA       SER 110   2.107   9.554  -4.474
  825    HB2  SER 110           HB2      SER 110   3.590  12.212  -4.332
  826    HB3  SER 110           HB3      SER 110   4.225  10.632  -4.795
  827    HG   SER 110           HG       SER 110   3.732  11.874  -6.629
  828    H    HIS 111           H        HIS 111   1.914  12.322  -2.175
  829    HA   HIS 111           HA       HIS 111   3.284  11.101   0.007
  830    HB2  HIS 111           HB2      HIS 111   2.843  13.380   0.290
  831    HB3  HIS 111           HB3      HIS 111   1.194  13.247  -0.261
  832    HD1  HIS 111           HD1      HIS 111   3.208  12.992   2.951
  833    HD2  HIS 111           HD2      HIS 111  -0.717  12.630   1.476
  834    HE1  HIS 111           HE1      HIS 111   1.686  12.873   4.984
  835    H    ILE 112           H        ILE 112  -0.225  11.032  -0.862
  836    HA   ILE 112           HA       ILE 112  -1.060   9.351   1.235
  837    HB   ILE 112           HB       ILE 112  -2.072   9.711  -1.608
  838   HG12  ILE 112          HG12      ILE 112  -2.247  11.664  -0.018
  839   HG13  ILE 112          HG13      ILE 112  -3.740  11.129  -0.762
  840   HG21  ILE 112          HG21      ILE 112  -4.209   8.669  -0.871
  841   HG22  ILE 112          HG22      ILE 112  -2.863   7.542  -1.043
  842   HG23  ILE 112          HG23      ILE 112  -3.363   8.069   0.579
  843   HD11  ILE 112          HD13      ILE 112  -3.982  11.757   1.602
  844   HD12  ILE 112          HD11      ILE 112  -4.437  10.070   1.324
  845   HD13  ILE 112          HD12      ILE 112  -2.864  10.458   2.075
  846    H    GLY 113           H        GLY 113   0.052   8.344  -2.085
  847    HA2  GLY 113           HA2      GLY 113  -0.247   5.583  -1.631
  848    HA3  GLY 113           HA3      GLY 113   0.873   6.321  -2.796
  849    H    ALA 114           H        ALA 114   2.556   7.718  -0.952
  850    HA   ALA 114           HA       ALA 114   4.383   5.623  -0.215
  851    HB1  ALA 114           HB3      ALA 114   5.100   7.884  -0.932
  852    HB2  ALA 114           HB1      ALA 114   4.289   8.585   0.465
  853    HB3  ALA 114           HB2      ALA 114   5.694   7.503   0.691
  854    H    ILE 115           H        ILE 115   2.249   7.818   1.724
  855    HA   ILE 115           HA       ILE 115   2.930   6.942   4.248
  856    HB   ILE 115           HB       ILE 115   0.584   8.117   2.926
  857   HG12  ILE 115          HG12      ILE 115   2.522   9.581   3.515
  858   HG13  ILE 115          HG13      ILE 115   0.971  10.108   4.126
  859   HG21  ILE 115          HG21      ILE 115   0.479   7.193   5.757
  860   HG22  ILE 115          HG22      ILE 115  -0.580   8.490   5.103
  861   HG23  ILE 115          HG23      ILE 115  -0.639   6.872   4.406
  862   HD11  ILE 115          HD13      ILE 115   2.873  10.340   5.751
  863   HD12  ILE 115          HD11      ILE 115   1.493   9.418   6.372
  864   HD13  ILE 115          HD12      ILE 115   2.947   8.565   5.822
  865    H    GLN 116           H        GLN 116   0.409   5.785   1.901
  866    HA   GLN 116           HA       GLN 116  -0.690   3.795   3.636
  867    HB2  GLN 116           HB2      GLN 116  -0.807   4.259   0.628
  868    HB3  GLN 116           HB3      GLN 116  -1.675   2.939   1.405
  869    HG2  GLN 116           HG2      GLN 116  -2.018   5.873   2.133
  870    HG3  GLN 116           HG3      GLN 116  -3.058   4.997   1.019
  871   HE21  GLN 116          HE22      GLN 116  -3.244   6.230   3.977
  872   HE22  GLN 116          HE21      GLN 116  -4.134   4.993   4.823
  873    H    ALA 117           H        ALA 117   2.297   3.808   1.940
  874    HA   ALA 117           HA       ALA 117   2.447   0.890   1.882
  875    HB1  ALA 117           HB3      ALA 117   4.473   2.977   0.945
  876    HB2  ALA 117           HB1      ALA 117   4.576   1.229   0.690
  877    HB3  ALA 117           HB2      ALA 117   3.303   2.166  -0.113
  878    H    LEU 118           H        LEU 118   3.961   3.768   3.439
  879    HA   LEU 118           HA       LEU 118   5.708   2.066   4.935
  880    HB2  LEU 118           HB2      LEU 118   6.417   4.040   6.018
  881    HB3  LEU 118           HB3      LEU 118   6.166   4.297   4.260
  882    HG   LEU 118           HG       LEU 118   3.922   5.231   4.849
  883   HD11  LEU 118          HD11      LEU 118   5.236   5.895   7.498
  884   HD12  LEU 118          HD12      LEU 118   3.573   6.267   6.938
  885   HD13  LEU 118          HD13      LEU 118   4.014   4.643   7.396
  886   HD21  LEU 118          HD23      LEU 118   4.848   7.485   5.234
  887   HD22  LEU 118          HD21      LEU 118   6.420   6.787   5.596
  888   HD23  LEU 118          HD22      LEU 118   5.718   6.609   3.964
  889    H    SER 119           H        SER 119   2.491   3.329   5.480
  890    HA   SER 119           HA       SER 119   2.228   2.612   8.194
  891    HB2  SER 119           HB2      SER 119   0.093   2.408   6.030
  892    HB3  SER 119           HB3      SER 119  -0.191   2.450   7.782
  893    HG   SER 119           HG       SER 119   0.890   4.476   6.112
  894    H    GLU 120           H        GLU 120   2.612   0.412   5.465
  895    HA   GLU 120           HA       GLU 120   1.467  -1.899   6.729
  896    HB2  GLU 120           HB2      GLU 120   3.640  -1.730   4.621
  897    HB3  GLU 120           HB3      GLU 120   2.772  -3.183   5.072
  898    HG2  GLU 120           HG2      GLU 120   1.370  -0.717   3.993
  899    HG3  GLU 120           HG3      GLU 120   1.973  -2.000   2.950
  900    H    LEU 121           H        LEU 121   4.270  -0.008   7.175
  901    HA   LEU 121           HA       LEU 121   5.685  -2.094   8.780
  902    HB2  LEU 121           HB2      LEU 121   6.713   0.603   7.795
  903    HB3  LEU 121           HB3      LEU 121   7.643  -0.656   8.600
  904    HG   LEU 121           HG       LEU 121   6.418  -0.713   5.812
  905   HD11  LEU 121          HD11      LEU 121   8.472   0.599   6.036
  906   HD12  LEU 121          HD12      LEU 121   9.303  -0.780   6.789
  907   HD13  LEU 121          HD13      LEU 121   8.771  -0.873   5.098
  908   HD21  LEU 121          HD23      LEU 121   7.492  -2.917   5.477
  909   HD22  LEU 121          HD21      LEU 121   7.978  -2.960   7.178
  910   HD23  LEU 121          HD22      LEU 121   6.257  -3.014   6.731
  911    H    LEU 122           H        LEU 122   5.113   1.478   8.963
  912    HA   LEU 122           HA       LEU 122   5.621   1.596  11.730
  913    HB2  LEU 122           HB2      LEU 122   4.124   3.617  10.089
  914    HB3  LEU 122           HB3      LEU 122   4.909   3.849  11.658
  915    HG   LEU 122           HG       LEU 122   6.211   3.404   8.967
  916   HD11  LEU 122          HD11      LEU 122   7.001   5.541   9.234
  917   HD12  LEU 122          HD12      LEU 122   5.453   5.676  10.053
  918   HD13  LEU 122          HD13      LEU 122   6.928   5.505  11.015
  919   HD21  LEU 122          HD23      LEU 122   7.555   1.973  10.404
  920   HD22  LEU 122          HD21      LEU 122   8.432   3.488  10.197
  921   HD23  LEU 122          HD22      LEU 122   7.553   3.186  11.702
  922    H    CYS 123           H        CYS 123   2.679   0.511  10.289
  923    HA   CYS 123           HA       CYS 123   1.343   0.866  12.923
  924    HB2  CYS 123           HB2      CYS 123  -0.046   0.685  10.220
  925    HB3  CYS 123           HB3      CYS 123  -0.792   0.987  11.788
  926    HG   CYS 123           HG       CYS 123   0.476   3.239  12.278
  927    H    GLU 124           H        GLU 124   3.187  -1.217  12.095
  928    HA   GLU 124           HA       GLU 124   1.420  -3.503  12.684
  929    HB2  GLU 124           HB2      GLU 124   3.561  -3.434  10.539
  930    HB3  GLU 124           HB3      GLU 124   3.018  -4.937  11.287
  931    HG2  GLU 124           HG2      GLU 124   1.233  -2.952   9.845
  932    HG3  GLU 124           HG3      GLU 124   1.858  -4.455   9.154
  933    H    GLU 125           H        GLU 125   1.840  -3.628  14.697
  934    HA   GLU 125           HA       GLU 125   4.219  -2.921  15.994
  935    HB2  GLU 125           HB2      GLU 125   3.313  -3.969  17.972
  936    HB3  GLU 125           HB3      GLU 125   2.061  -3.077  17.110
  937    HG2  GLU 125           HG2      GLU 125   1.234  -5.239  16.132
  938    HG3  GLU 125           HG3      GLU 125   2.452  -6.105  17.069
  939    H    GLU 126           H        GLU 126   3.459  -5.922  14.363
  940    HA   GLU 126           HA       GLU 126   5.469  -7.578  15.509
  941    HB2  GLU 126           HB2      GLU 126   4.274  -7.546  12.707
  942    HB3  GLU 126           HB3      GLU 126   5.330  -8.822  13.315
  943    HG2  GLU 126           HG2      GLU 126   2.667  -8.033  14.529
  944    HG3  GLU 126           HG3      GLU 126   2.908  -9.358  13.389
  945    H    ILE 127           H        ILE 127   5.419  -5.403  12.699
  946    HA   ILE 127           HA       ILE 127   8.178  -5.805  11.947
  947    HB   ILE 127           HB       ILE 127   6.028  -3.886  11.162
  948   HG12  ILE 127          HG12      ILE 127   6.352  -4.815   8.937
  949   HG13  ILE 127          HG13      ILE 127   7.732  -5.769   9.485
  950   HG21  ILE 127          HG21      ILE 127   7.907  -2.427  11.127
  951   HG22  ILE 127          HG22      ILE 127   8.965  -3.694  10.468
  952   HG23  ILE 127          HG23      ILE 127   7.698  -2.962   9.461
  953   HD11  ILE 127          HD13      ILE 127   5.652  -7.086   9.115
  954   HD12  ILE 127          HD11      ILE 127   6.278  -7.237  10.761
  955   HD13  ILE 127          HD12      ILE 127   4.870  -6.188  10.431
  956    H    LEU 128           H        LEU 128   6.387  -3.387  13.910
  957    HA   LEU 128           HA       LEU 128   8.398  -1.523  14.140
  958    HB2  LEU 128           HB2      LEU 128   6.411  -2.316  16.305
  959    HB3  LEU 128           HB3      LEU 128   7.469  -0.920  16.404
  960    HG   LEU 128           HG       LEU 128   5.225  -1.316  14.399
  961   HD11  LEU 128          HD11      LEU 128   5.652   0.705  16.628
  962   HD12  LEU 128          HD12      LEU 128   4.269   0.647  15.511
  963   HD13  LEU 128          HD13      LEU 128   4.531  -0.667  16.665
  964   HD21  LEU 128          HD23      LEU 128   5.849   1.119  13.804
  965   HD22  LEU 128          HD21      LEU 128   7.451   0.734  14.462
  966   HD23  LEU 128          HD22      LEU 128   6.806  -0.191  13.093
  967    H    GLU 129           H        GLU 129   8.131  -4.458  16.150
  968    HA   GLU 129           HA       GLU 129  10.287  -3.619  17.819
  969    HB2  GLU 129           HB2      GLU 129   9.961  -5.435  19.083
  970    HB3  GLU 129           HB3      GLU 129   8.387  -5.373  18.304
  971    HG2  GLU 129           HG2      GLU 129   9.222  -7.112  16.663
  972    HG3  GLU 129           HG3      GLU 129  10.739  -7.179  17.581
  973    H    GLN 130           H        GLN 130  10.098  -5.288  14.707
  974    HA   GLN 130           HA       GLN 130  12.729  -6.467  14.864
  975    HB2  GLN 130           HB2      GLN 130  10.752  -6.052  12.585
  976    HB3  GLN 130           HB3      GLN 130  12.291  -6.925  12.438
  977    HG2  GLN 130           HG2      GLN 130  11.607  -8.591  14.025
  978    HG3  GLN 130           HG3      GLN 130  10.128  -7.712  14.411
  979   HE21  GLN 130          HE22      GLN 130   8.300  -8.188  13.273
  980   HE22  GLN 130          HE21      GLN 130   8.242  -9.224  11.858
  981    H    LEU 131           H        LEU 131  11.227  -3.483  13.554
  982    HA   LEU 131           HA       LEU 131  13.628  -2.316  12.476
  983    HB2  LEU 131           HB2      LEU 131  11.386  -0.849  13.935
  984    HB3  LEU 131           HB3      LEU 131  12.597  -0.145  12.898
  985    HG   LEU 131           HG       LEU 131  10.450  -2.132  11.959
  986   HD11  LEU 131          HD11      LEU 131   9.151  -0.268  11.231
  987   HD12  LEU 131          HD12      LEU 131   9.558  -0.021  12.946
  988   HD13  LEU 131          HD13      LEU 131  10.427   0.877  11.686
  989   HD21  LEU 131          HD23      LEU 131  12.386  -0.333  10.488
  990   HD22  LEU 131          HD21      LEU 131  12.328  -2.093  10.443
  991   HD23  LEU 131          HD22      LEU 131  11.014  -1.150   9.708
  992    H    LEU 132           H        LEU 132  11.978  -1.908  15.635
  993    HA   LEU 132           HA       LEU 132  13.934  -0.281  16.783
  994    HB2  LEU 132           HB2      LEU 132  11.885  -2.105  18.061
  995    HB3  LEU 132           HB3      LEU 132  12.842  -0.970  18.996
  996    HG   LEU 132           HG       LEU 132  11.129  -0.037  16.657
  997   HD11  LEU 132          HD11      LEU 132  10.362  -0.187  19.602
  998   HD12  LEU 132          HD12      LEU 132   9.414   0.583  18.306
  999   HD13  LEU 132          HD13      LEU 132   9.677  -1.165  18.284
 1000   HD21  LEU 132          HD23      LEU 132  12.301   1.441  19.032
 1001   HD22  LEU 132          HD21      LEU 132  12.848   1.534  17.336
 1002   HD23  LEU 132          HD22      LEU 132  11.250   2.134  17.777
 1003    H    THR 133           H        THR 133  14.404  -3.595  16.169
 1004    HA   THR 133           HA       THR 133  16.607  -3.723  18.148
 1005    HB   THR 133           HB       THR 133  16.230  -6.186  18.130
 1006    HG1  THR 133           HG1      THR 133  13.745  -5.602  16.927
 1007   HG21  THR 133          HG23      THR 133  13.782  -4.585  19.005
 1008   HG22  THR 133          HG21      THR 133  14.171  -6.240  19.492
 1009   HG23  THR 133          HG22      THR 133  15.241  -4.903  19.965
 1010    H    ALA 134           H        ALA 134  16.150  -3.095  14.958
 1011    HA   ALA 134           HA       ALA 134  17.697  -5.004  13.579
 1012    HB1  ALA 134           HB3      ALA 134  17.106  -2.095  12.999
 1013    HB2  ALA 134           HB1      ALA 134  17.968  -3.163  11.894
 1014    HB3  ALA 134           HB2      ALA 134  16.286  -3.535  12.353
 1015    H    SER 135           H        SER 135  19.741  -5.571  14.018
 1016    HA   SER 135           HA       SER 135  21.582  -3.853  15.411
 1017    HB2  SER 135           HB2      SER 135  22.081  -6.458  13.905
 1018    HB3  SER 135           HB3      SER 135  23.112  -5.742  15.157
 1019    HG   SER 135           HG       SER 135  21.763  -7.403  15.979
 1020    H    SER 136           H        SER 136  20.814  -4.316  12.024
 1021    HA   SER 136           HA       SER 136  23.182  -2.752  11.165
 1022    HB2  SER 136           HB2      SER 136  22.395  -5.460   9.995
 1023    HB3  SER 136           HB3      SER 136  23.755  -4.443   9.493
 1024    HG   SER 136           HG       SER 136  24.402  -6.154  10.871
 1025    H    GLU 137           H        GLU 137  22.936  -1.866   9.043
 1026    HA   GLU 137           HA       GLU 137  20.326  -0.942   8.409
 1027    HB2  GLU 137           HB2      GLU 137  22.915  -0.974   6.796
 1028    HB3  GLU 137           HB3      GLU 137  21.463  -0.045   6.336
 1029    HG2  GLU 137           HG2      GLU 137  21.500   1.261   8.237
 1030    HG3  GLU 137           HG3      GLU 137  22.771   0.326   9.030
 1031    H    LYS 138           H        LYS 138  22.180  -3.734   7.204
 1032    HA   LYS 138           HA       LYS 138  20.491  -4.443   5.073
 1033    HB2  LYS 138           HB2      LYS 138  22.694  -5.479   5.522
 1034    HB3  LYS 138           HB3      LYS 138  22.058  -6.233   6.983
 1035    HG2  LYS 138           HG2      LYS 138  22.231  -7.844   5.172
 1036    HG3  LYS 138           HG3      LYS 138  20.546  -7.640   5.645
 1037    HD2  LYS 138           HD2      LYS 138  20.141  -6.204   3.666
 1038    HD3  LYS 138           HD3      LYS 138  21.862  -6.317   3.227
 1039    HE2  LYS 138           HE2      LYS 138  21.624  -8.787   3.010
 1040    HE3  LYS 138           HE3      LYS 138  19.913  -8.659   3.438
 1041    HZ1  LYS 138           HZ3      LYS 138  20.227  -8.786   1.050
 1042    HZ2  LYS 138           HZ1      LYS 138  19.576  -7.341   1.425
 1043    HZ3  LYS 138           HZ2      LYS 138  21.161  -7.454   1.034
 1044    H    GLN 139           H        GLN 139  20.036  -5.016   8.582
 1045    HA   GLN 139           HA       GLN 139  17.806  -6.726   8.290
 1046    HB2  GLN 139           HB2      GLN 139  19.473  -5.880  10.344
 1047    HB3  GLN 139           HB3      GLN 139  17.985  -5.000  10.715
 1048    HG2  GLN 139           HG2      GLN 139  16.730  -7.122  10.572
 1049    HG3  GLN 139           HG3      GLN 139  18.256  -7.967  10.210
 1050   HE21  GLN 139          HE22      GLN 139  16.248  -8.137  12.587
 1051   HE22  GLN 139          HE21      GLN 139  17.267  -7.962  13.992
 1052    H    LEU 140           H        LEU 140  18.131  -3.141   8.448
 1053    HA   LEU 140           HA       LEU 140  15.272  -2.681   8.676
 1054    HB2  LEU 140           HB2      LEU 140  17.646  -0.972   7.909
 1055    HB3  LEU 140           HB3      LEU 140  16.008  -0.357   7.819
 1056    HG   LEU 140           HG       LEU 140  17.295  -1.438  10.339
 1057   HD11  LEU 140          HD11      LEU 140  18.367   0.648   9.485
 1058   HD12  LEU 140          HD12      LEU 140  16.801   1.464   9.549
 1059   HD13  LEU 140          HD13      LEU 140  17.553   0.877  11.035
 1060   HD21  LEU 140          HD23      LEU 140  15.477  -0.337  11.568
 1061   HD22  LEU 140          HD21      LEU 140  14.682   0.058  10.031
 1062   HD23  LEU 140          HD22      LEU 140  14.891  -1.638  10.536
 1063    H    ALA 141           H        ALA 141  17.656  -2.600   5.983
 1064    HA   ALA 141           HA       ALA 141  15.892  -2.312   3.835
 1065    HB1  ALA 141           HB3      ALA 141  17.659  -3.251   2.468
 1066    HB2  ALA 141           HB1      ALA 141  18.404  -2.242   3.726
 1067    HB3  ALA 141           HB2      ALA 141  18.420  -4.011   3.877
 1068    H    ASP 142           H        ASP 142  16.696  -5.371   5.583
 1069    HA   ASP 142           HA       ASP 142  15.320  -7.091   3.814
 1070    HB2  ASP 142           HB2      ASP 142  16.753  -8.019   5.515
 1071    HB3  ASP 142           HB3      ASP 142  15.788  -7.302   6.806
 1072    H    ILE 143           H        ILE 143  14.109  -5.250   6.689
 1073    HA   ILE 143           HA       ILE 143  11.460  -6.220   6.559
 1074    HB   ILE 143           HB       ILE 143  12.813  -3.796   7.776
 1075   HG12  ILE 143          HG12      ILE 143  11.598  -6.284   9.076
 1076   HG13  ILE 143          HG13      ILE 143  13.298  -6.148   8.648
 1077   HG21  ILE 143          HG21      ILE 143  10.757  -3.443   9.097
 1078   HG22  ILE 143          HG22      ILE 143  10.534  -3.127   7.380
 1079   HG23  ILE 143          HG23      ILE 143   9.920  -4.646   8.086
 1080   HD11  ILE 143          HD13      ILE 143  11.826  -4.591  10.801
 1081   HD12  ILE 143          HD11      ILE 143  13.221  -5.668  10.934
 1082   HD13  ILE 143          HD12      ILE 143  13.428  -4.100  10.163
 1083    H    ILE 144           H        ILE 144  13.075  -3.458   4.967
 1084    HA   ILE 144           HA       ILE 144  10.740  -2.474   3.605
 1085    HB   ILE 144           HB       ILE 144  13.687  -2.433   2.803
 1086   HG12  ILE 144          HG12      ILE 144  13.387  -1.086   4.739
 1087   HG13  ILE 144          HG13      ILE 144  13.551  -0.011   3.362
 1088   HG21  ILE 144          HG21      ILE 144  13.115  -0.631   1.187
 1089   HG22  ILE 144          HG22      ILE 144  12.508  -2.216   0.728
 1090   HG23  ILE 144          HG23      ILE 144  11.398  -1.014   1.406
 1091   HD11  ILE 144          HD13      ILE 144  11.077  -0.673   4.946
 1092   HD12  ILE 144          HD11      ILE 144  11.806   0.909   4.619
 1093   HD13  ILE 144          HD12      ILE 144  10.954   0.046   3.325
 1094    H    SER 145           H        SER 145  13.112  -4.970   2.704
 1095    HA   SER 145           HA       SER 145  12.148  -5.199   0.078
 1096    HB2  SER 145           HB2      SER 145  13.750  -7.216   1.719
 1097    HB3  SER 145           HB3      SER 145  13.583  -7.222  -0.046
 1098    HG   SER 145           HG       SER 145  14.794  -5.229   1.590
 1099    H    ARG 146           H        ARG 146  10.944  -6.789   3.001
 1100    HA   ARG 146           HA       ARG 146   9.639  -8.970   1.732
 1101    HB2  ARG 146           HB2      ARG 146   8.329  -7.622   4.086
 1102    HB3  ARG 146           HB3      ARG 146   8.528  -9.345   3.738
 1103    HG2  ARG 146           HG2      ARG 146  11.027  -8.952   4.229
 1104    HG3  ARG 146           HG3      ARG 146  10.494  -7.334   4.787
 1105    HD2  ARG 146           HD2      ARG 146   9.094  -8.316   6.494
 1106    HD3  ARG 146           HD3      ARG 146   9.485  -9.958   5.932
 1107    HE   ARG 146           HE       ARG 146  11.967  -8.918   6.448
 1108   HH11  ARG 146          HH21      ARG 146   9.031  -9.209   8.472
 1109   HH12  ARG 146          HH22      ARG 146   9.973  -9.298   9.942
 1110   HH21  ARG 146          HH11      ARG 146  13.076  -9.088   8.298
 1111   HH22  ARG 146          HH12      ARG 146  12.282  -9.237   9.872
 1112    H    GLY 147           H        GLY 147   8.856  -5.567   2.021
 1113    HA2  GLY 147           HA2      GLY 147   5.997  -5.906   1.714
 1114    HA3  GLY 147           HA3      GLY 147   6.930  -4.407   1.897
  Start of MODEL   13
    1    H    MET   1           H1       MET   1   1.884  -0.734  -0.713
    2    HA   MET   1           HA       MET   1   2.325  -1.522  -3.516
    3    HB2  MET   1           HB2      MET   1   2.029   1.118  -2.821
    4    HB3  MET   1           HB3      MET   1   3.743   0.894  -2.411
    5    HG2  MET   1           HG2      MET   1   4.162   0.036  -4.699
    6    HG3  MET   1           HG3      MET   1   2.455   0.214  -5.098
    7    HE1  MET   1           HE3      MET   1   1.993   4.067  -5.417
    8    HE2  MET   1           HE1      MET   1   1.239   2.465  -5.562
    9    HE3  MET   1           HE2      MET   1   1.649   3.122  -3.957
   10    H    ARG   2           H        ARG   2   4.571  -1.841  -4.075
   11    HA   ARG   2           HA       ARG   2   5.992  -3.231  -1.995
   12    HB2  ARG   2           HB2      ARG   2   6.849  -2.302  -4.752
   13    HB3  ARG   2           HB3      ARG   2   7.889  -3.221  -3.648
   14    HG2  ARG   2           HG2      ARG   2   5.234  -4.115  -4.801
   15    HG3  ARG   2           HG3      ARG   2   6.846  -4.728  -5.228
   16    HD2  ARG   2           HD2      ARG   2   7.007  -5.467  -2.761
   17    HD3  ARG   2           HD3      ARG   2   5.264  -5.104  -2.668
   18    HE   ARG   2           HE       ARG   2   5.748  -6.787  -4.904
   19   HH11  ARG   2          HH11      ARG   2   5.685  -6.937  -1.334
   20   HH12  ARG   2          HH12      ARG   2   5.371  -8.641  -1.297
   21   HH21  ARG   2          HH21      ARG   2   5.300  -9.039  -4.823
   22   HH22  ARG   2          HH22      ARG   2   5.129  -9.849  -3.313
   23    H    LEU   3           H        LEU   3   6.918  -2.357  -0.429
   24    HA   LEU   3           HA       LEU   3   7.182   0.428   0.103
   25    HB2  LEU   3           HB2      LEU   3   8.317  -2.108   1.296
   26    HB3  LEU   3           HB3      LEU   3   9.017  -0.583   1.791
   27    HG   LEU   3           HG       LEU   3   7.248  -1.496   3.296
   28   HD11  LEU   3          HD11      LEU   3   6.696   1.278   2.147
   29   HD12  LEU   3          HD12      LEU   3   6.261   0.658   3.752
   30   HD13  LEU   3          HD13      LEU   3   7.957   0.866   3.335
   31   HD21  LEU   3          HD23      LEU   3   5.631  -2.262   1.527
   32   HD22  LEU   3          HD21      LEU   3   4.910  -1.243   2.777
   33   HD23  LEU   3          HD22      LEU   3   5.262  -0.566   1.185
   34    H    SER   4           H        SER   4   9.583  -1.981  -1.028
   35    HA   SER   4           HA       SER   4  11.837  -0.468  -1.023
   36    HB2  SER   4           HB2      SER   4  11.283  -2.379  -3.295
   37    HB3  SER   4           HB3      SER   4  12.747  -2.210  -2.309
   38    HG   SER   4           HG       SER   4  11.447  -4.100  -1.891
   39    H    ASP   5           H        ASP   5   9.091   0.118  -3.160
   40    HA   ASP   5           HA       ASP   5  10.583   1.237  -5.351
   41    HB2  ASP   5           HB2      ASP   5   8.234   0.482  -5.565
   42    HB3  ASP   5           HB3      ASP   5   7.727   1.753  -4.443
   43    H    TYR   6           H        TYR   6   9.496   2.412  -2.209
   44    HA   TYR   6           HA       TYR   6   9.846   5.223  -2.961
   45    HB2  TYR   6           HB2      TYR   6   8.942   3.862  -0.394
   46    HB3  TYR   6           HB3      TYR   6   9.133   5.597  -0.573
   47    HD1  TYR   6           HD2      TYR   6   7.720   6.962  -1.958
   48    HD2  TYR   6           HD1      TYR   6   6.932   2.728  -1.462
   49    HE1  TYR   6           HE2      TYR   6   5.481   7.252  -2.969
   50    HE2  TYR   6           HE1      TYR   6   4.667   3.058  -2.373
   51    HH   TYR   6           HH       TYR   6   3.478   6.245  -3.536
   52    H    PHE   7           H        PHE   7  11.761   2.772  -1.255
   53    HA   PHE   7           HA       PHE   7  13.488   4.866  -0.048
   54    HB2  PHE   7           HB2      PHE   7  13.581   1.843   0.243
   55    HB3  PHE   7           HB3      PHE   7  14.649   2.981   1.047
   56    HD1  PHE   7           HD2      PHE   7  11.022   2.161   0.648
   57    HD2  PHE   7           HD1      PHE   7  14.050   3.649   3.328
   58    HE1  PHE   7           HE2      PHE   7   9.311   2.490   2.382
   59    HE2  PHE   7           HE1      PHE   7  12.299   4.047   5.034
   60    HZ   PHE   7           HZ       PHE   7   9.939   3.483   4.577
   61    HA   PRO   8           HA       PRO   8  15.502   4.319  -4.051
   62    HB2  PRO   8           HB2      PRO   8  17.190   6.459  -4.108
   63    HB3  PRO   8           HB3      PRO   8  15.417   6.581  -4.252
   64    HG2  PRO   8           HG2      PRO   8  17.082   7.001  -1.747
   65    HG3  PRO   8           HG3      PRO   8  15.785   8.041  -2.410
   66    HD2  PRO   8           HD2      PRO   8  15.311   6.203  -0.449
   67    HD3  PRO   8           HD3      PRO   8  14.115   6.582  -1.711
   68    H    GLU   9           H        GLU   9  18.220   5.635  -2.195
   69    HA   GLU   9           HA       GLU   9  19.470   3.128  -1.597
   70    HB2  GLU   9           HB2      GLU   9  20.086   3.744  -4.099
   71    HB3  GLU   9           HB3      GLU   9  21.038   5.042  -3.349
   72    HG2  GLU   9           HG2      GLU   9  22.359   3.386  -2.089
   73    HG3  GLU   9           HG3      GLU   9  21.340   2.081  -2.692
   74    H    SER  10           H        SER  10  21.502   3.689  -0.361
   75    HA   SER  10           HA       SER  10  22.432   4.612   1.373
   76    HB2  SER  10           HB2      SER  10  21.835   7.403   0.373
   77    HB3  SER  10           HB3      SER  10  23.278   6.827   1.209
   78    HG   SER  10           HG       SER  10  23.837   5.697  -0.705
   79    H    SER  11           H        SER  11  19.275   4.693   1.053
   80    HA   SER  11           HA       SER  11  18.303   6.756   2.756
   81    HB2  SER  11           HB2      SER  11  16.163   5.357   2.118
   82    HB3  SER  11           HB3      SER  11  17.040   6.278   0.891
   83    HG   SER  11           HG       SER  11  16.563   4.115   0.213
   84    H    ILE  12           H        ILE  12  19.832   3.917   3.725
   85    HA   ILE  12           HA       ILE  12  17.951   3.508   5.984
   86    HB   ILE  12           HB       ILE  12  19.382   1.496   4.226
   87   HG12  ILE  12          HG12      ILE  12  16.497   2.436   4.530
   88   HG13  ILE  12          HG13      ILE  12  17.468   2.314   3.064
   89   HG21  ILE  12          HG21      ILE  12  17.710   1.175   6.742
   90   HG22  ILE  12          HG22      ILE  12  18.332  -0.164   5.732
   91   HG23  ILE  12          HG23      ILE  12  19.456   0.879   6.578
   92   HD11  ILE  12          HD13      ILE  12  16.300   0.059   4.681
   93   HD12  ILE  12          HD11      ILE  12  15.828   0.589   3.051
   94   HD13  ILE  12          HD12      ILE  12  17.425  -0.154   3.304
   95    H    SER  13           H        SER  13  18.997   3.949   7.876
   96    HA   SER  13           HA       SER  13  21.904   3.405   8.036
   97    HB2  SER  13           HB2      SER  13  20.557   5.995   8.928
   98    HB3  SER  13           HB3      SER  13  22.282   5.615   9.041
   99    HG   SER  13           HG       SER  13  22.349   5.570   6.751
  100    H    VAL  14           H        VAL  14  22.702   2.943  10.043
  101    HA   VAL  14           HA       VAL  14  20.826   2.887  12.358
  102    HB   VAL  14           HB       VAL  14  23.047   0.948  11.648
  103   HG11  VAL  14          HG11      VAL  14  23.092   1.310  14.077
  104   HG12  VAL  14          HG12      VAL  14  21.331   1.084  14.176
  105   HG13  VAL  14          HG13      VAL  14  22.394  -0.273  13.741
  106   HG21  VAL  14          HG23      VAL  14  21.265  -0.774  11.692
  107   HG22  VAL  14          HG21      VAL  14  20.055   0.464  12.066
  108   HG23  VAL  14          HG22      VAL  14  20.875   0.464  10.497
  109    H    ILE  15           H        ILE  15  21.666   3.826  14.172
  110    HA   ILE  15           HA       ILE  15  24.309   5.187  14.071
  111    HB   ILE  15           HB       ILE  15  21.467   6.262  14.181
  112   HG12  ILE  15          HG12      ILE  15  23.921   6.762  12.483
  113   HG13  ILE  15          HG13      ILE  15  22.301   6.265  11.993
  114   HG21  ILE  15          HG21      ILE  15  23.873   7.791  15.178
  115   HG22  ILE  15          HG22      ILE  15  22.222   8.433  14.950
  116   HG23  ILE  15          HG23      ILE  15  22.471   7.186  16.122
  117   HD11  ILE  15          HD13      ILE  15  23.166   9.030  12.975
  118   HD12  ILE  15          HD11      ILE  15  22.678   8.578  11.330
  119   HD13  ILE  15          HD12      ILE  15  21.478   8.576  12.645
  120    H    HIS  16           H        HIS  16  25.176   5.585  16.142
  121    HA   HIS  16           HA       HIS  16  24.197   3.958  18.328
  122    HB2  HIS  16           HB2      HIS  16  26.214   6.242  18.284
  123    HB3  HIS  16           HB3      HIS  16  25.966   5.115  19.619
  124    HD1  HIS  16           HD1      HIS  16  26.019   2.337  18.044
  125    HD2  HIS  16           HD2      HIS  16  28.585   5.631  17.406
  126    HE1  HIS  16           HE1      HIS  16  28.125   1.415  16.954
  127    H    SER  17           H        SER  17  24.223   7.515  17.649
  128    HA   SER  17           HA       SER  17  21.619   7.833  18.645
  129    HB2  SER  17           HB2      SER  17  23.112   7.908  20.841
  130    HB3  SER  17           HB3      SER  17  23.544   9.527  20.219
  131    HG   SER  17           HG       SER  17  21.675   9.530  21.580
  132    H    ALA  18           H        ALA  18  21.159  10.264  18.507
  133    HA   ALA  18           HA       ALA  18  22.554  11.387  16.116
  134    HB1  ALA  18           HB3      ALA  18  19.943  12.196  17.470
  135    HB2  ALA  18           HB1      ALA  18  20.670  13.004  16.067
  136    HB3  ALA  18           HB2      ALA  18  20.119  11.333  15.914
  137    H    LYS  19           H        LYS  19  23.243  13.614  16.234
  138    HA   LYS  19           HA       LYS  19  24.662  14.385  18.559
  139    HB2  LYS  19           HB2      LYS  19  24.984  15.069  16.160
  140    HB3  LYS  19           HB3      LYS  19  23.703  16.259  16.406
  141    HG2  LYS  19           HG2      LYS  19  24.954  17.362  18.205
  142    HG3  LYS  19           HG3      LYS  19  26.112  16.020  18.274
  143    HD2  LYS  19           HD2      LYS  19  27.253  17.678  17.101
  144    HD3  LYS  19           HD3      LYS  19  26.714  16.497  15.902
  145    HE2  LYS  19           HE2      LYS  19  24.598  18.176  15.766
  146    HE3  LYS  19           HE3      LYS  19  25.760  19.333  16.424
  147    HZ1  LYS  19           HZ3      LYS  19  25.801  19.445  14.055
  148    HZ2  LYS  19           HZ1      LYS  19  27.199  18.710  14.475
  149    HZ3  LYS  19           HZ2      LYS  19  25.925  17.821  13.892
  150    H    ASP  20           H        ASP  20  21.483  15.340  17.300
  151    HA   ASP  20           HA       ASP  20  20.224  15.676  19.834
  152    HB2  ASP  20           HB2      ASP  20  19.687  17.873  19.890
  153    HB3  ASP  20           HB3      ASP  20  21.417  17.970  19.533
  154    H    TRP  21           H        TRP  21  17.975  16.592  19.313
  155    HA   TRP  21           HA       TRP  21  16.659  14.988  17.497
  156    HB2  TRP  21           HB2      TRP  21  14.895  17.019  17.984
  157    HB3  TRP  21           HB3      TRP  21  15.197  15.648  19.046
  158    HD1  TRP  21           HD1      TRP  21  16.063  19.318  18.642
  159    HE1  TRP  21           HE1      TRP  21  16.866  20.327  20.848
  160    HE3  TRP  21           HE3      TRP  21  16.549  15.013  21.274
  161    HZ2  TRP  21           HZ2      TRP  21  17.753  19.331  23.435
  162    HZ3  TRP  21           HZ3      TRP  21  17.514  15.032  23.568
  163    HH2  TRP  21           HH2      TRP  21  18.100  17.186  24.659
  164    H    GLN  22           H        GLN  22  17.911  18.340  16.919
  165    HA   GLN  22           HA       GLN  22  16.594  18.680  14.356
  166    HB2  GLN  22           HB2      GLN  22  19.185  19.846  15.404
  167    HB3  GLN  22           HB3      GLN  22  18.375  20.327  13.923
  168    HG2  GLN  22           HG2      GLN  22  16.497  21.232  15.071
  169    HG3  GLN  22           HG3      GLN  22  16.922  20.450  16.593
  170   HE21  GLN  22          HE22      GLN  22  19.062  21.045  17.561
  171   HE22  GLN  22          HE21      GLN  22  19.530  22.750  17.498
  172    H    GLU  23           H        GLU  23  19.884  17.473  15.348
  173    HA   GLU  23           HA       GLU  23  20.725  16.725  12.767
  174    HB2  GLU  23           HB2      GLU  23  22.046  16.839  15.005
  175    HB3  GLU  23           HB3      GLU  23  21.406  15.210  15.298
  176    HG2  GLU  23           HG2      GLU  23  23.471  14.745  14.353
  177    HG3  GLU  23           HG3      GLU  23  22.431  14.630  12.960
  178    H    ALA  24           H        ALA  24  18.708  14.970  15.100
  179    HA   ALA  24           HA       ALA  24  18.829  12.430  13.833
  180    HB1  ALA  24           HB3      ALA  24  18.056  13.005  16.154
  181    HB2  ALA  24           HB1      ALA  24  16.527  13.578  15.472
  182    HB3  ALA  24           HB2      ALA  24  16.987  11.871  15.291
  183    H    ILE  25           H        ILE  25  16.704  15.252  13.268
  184    HA   ILE  25           HA       ILE  25  15.098  14.002  11.211
  185    HB   ILE  25           HB       ILE  25  15.874  16.931  11.432
  186   HG12  ILE  25          HG12      ILE  25  14.389  15.480  13.386
  187   HG13  ILE  25          HG13      ILE  25  14.752  17.198  13.301
  188   HG21  ILE  25          HG21      ILE  25  14.931  16.297   9.277
  189   HG22  ILE  25          HG22      ILE  25  13.509  15.599  10.064
  190   HG23  ILE  25          HG23      ILE  25  13.842  17.349  10.135
  191   HD11  ILE  25          HD13      ILE  25  12.349  15.800  12.108
  192   HD12  ILE  25          HD11      ILE  25  12.376  16.778  13.589
  193   HD13  ILE  25          HD12      ILE  25  12.673  17.561  12.025
  194    H    ASP  26           H        ASP  26  18.114  15.944  11.276
  195    HA   ASP  26           HA       ASP  26  18.449  16.212   8.507
  196    HB2  ASP  26           HB2      ASP  26  19.696  17.305  10.536
  197    HB3  ASP  26           HB3      ASP  26  20.815  15.954  10.389
  198    H    PHE  27           H        PHE  27  19.840  13.724  10.698
  199    HA   PHE  27           HA       PHE  27  21.044  12.119   8.691
  200    HB2  PHE  27           HB2      PHE  27  20.133  11.675  11.549
  201    HB3  PHE  27           HB3      PHE  27  20.593  10.302  10.569
  202    HD1  PHE  27           HD1      PHE  27  22.866  10.733   9.116
  203    HD2  PHE  27           HD2      PHE  27  21.962  12.425  13.006
  204    HE1  PHE  27           HE1      PHE  27  25.282  10.953   9.599
  205    HE2  PHE  27           HE2      PHE  27  24.370  12.600  13.468
  206    HZ   PHE  27           HZ       PHE  27  26.043  11.883  11.778
  207    H    SER  28           H        SER  28  17.608  12.344   9.771
  208    HA   SER  28           HA       SER  28  16.985   9.867   8.331
  209    HB2  SER  28           HB2      SER  28  15.165  11.894   9.686
  210    HB3  SER  28           HB3      SER  28  14.700  10.288   9.079
  211    HG   SER  28           HG       SER  28  16.389  10.982  11.232
  212    H    MET  29           H        MET  29  17.433  13.096   7.334
  213    HA   MET  29           HA       MET  29  15.694  12.611   4.937
  214    HB2  MET  29           HB2      MET  29  16.638  15.223   6.115
  215    HB3  MET  29           HB3      MET  29  15.529  14.969   4.743
  216    HG2  MET  29           HG2      MET  29  14.669  14.053   7.446
  217    HG3  MET  29           HG3      MET  29  14.666  15.763   7.034
  218    HE1  MET  29           HE3      MET  29  13.673  12.378   5.773
  219    HE2  MET  29           HE1      MET  29  12.624  12.793   7.175
  220    HE3  MET  29           HE2      MET  29  11.901  12.564   5.552
  221    H    VAL  30           H        VAL  30  19.046  13.296   5.942
  222    HA   VAL  30           HA       VAL  30  19.910  14.650   3.705
  223    HB   VAL  30           HB       VAL  30  21.221  14.342   5.741
  224   HG11  VAL  30          HG11      VAL  30  22.553  12.340   6.169
  225   HG12  VAL  30          HG12      VAL  30  20.839  11.912   6.146
  226   HG13  VAL  30          HG13      VAL  30  21.865  11.528   4.748
  227   HG21  VAL  30          HG23      VAL  30  23.421  14.211   4.719
  228   HG22  VAL  30          HG21      VAL  30  22.752  13.412   3.280
  229   HG23  VAL  30          HG22      VAL  30  22.313  15.090   3.650
  230    H    SER  31           H        SER  31  19.447  11.072   3.916
  231    HA   SER  31           HA       SER  31  20.770  10.472   1.527
  232    HB2  SER  31           HB2      SER  31  18.299   9.084   2.624
  233    HB3  SER  31           HB3      SER  31  19.612   8.373   1.666
  234    HG   SER  31           HG       SER  31  20.457   7.942   3.527
  235    H    LEU  32           H        LEU  32  17.577  11.862   2.064
  236    HA   LEU  32           HA       LEU  32  16.676  11.504  -0.718
  237    HB2  LEU  32           HB2      LEU  32  15.553  12.941   1.734
  238    HB3  LEU  32           HB3      LEU  32  14.773  13.021   0.182
  239    HG   LEU  32           HG       LEU  32  15.348  10.416   1.640
  240   HD11  LEU  32          HD11      LEU  32  13.791  11.815   2.942
  241   HD12  LEU  32          HD12      LEU  32  12.742  11.970   1.518
  242   HD13  LEU  32          HD13      LEU  32  12.987  10.386   2.276
  243   HD21  LEU  32          HD23      LEU  32  13.708   9.434   0.101
  244   HD22  LEU  32          HD21      LEU  32  13.496  10.992  -0.713
  245   HD23  LEU  32          HD22      LEU  32  15.042  10.118  -0.808
  246    H    LEU  33           H        LEU  33  17.946  14.056   1.463
  247    HA   LEU  33           HA       LEU  33  17.780  16.232  -0.260
  248    HB2  LEU  33           HB2      LEU  33  18.427  16.202   2.176
  249    HB3  LEU  33           HB3      LEU  33  20.018  15.634   1.698
  250    HG   LEU  33           HG       LEU  33  20.328  17.745   0.361
  251   HD11  LEU  33          HD11      LEU  33  18.871  19.661   0.840
  252   HD12  LEU  33          HD12      LEU  33  17.977  18.392   0.030
  253   HD13  LEU  33          HD13      LEU  33  17.779  18.624   1.784
  254   HD21  LEU  33          HD23      LEU  33  19.837  18.117   3.326
  255   HD22  LEU  33          HD21      LEU  33  21.283  17.400   2.595
  256   HD23  LEU  33          HD22      LEU  33  20.897  19.087   2.277
  257    H    ASP  34           H        ASP  34  20.373  13.840   0.146
  258    HA   ASP  34           HA       ASP  34  22.331  14.866  -1.547
  259    HB2  ASP  34           HB2      ASP  34  22.727  13.026   0.086
  260    HB3  ASP  34           HB3      ASP  34  21.539  12.013  -0.748
  261    H    LYS  35           H        LYS  35  19.494  13.113  -2.361
  262    HA   LYS  35           HA       LYS  35  20.433  12.776  -5.190
  263    HB2  LYS  35           HB2      LYS  35  18.364  11.216  -3.716
  264    HB3  LYS  35           HB3      LYS  35  18.950  10.976  -5.384
  265    HG2  LYS  35           HG2      LYS  35  21.318  10.847  -4.290
  266    HG3  LYS  35           HG3      LYS  35  20.449  10.737  -2.741
  267    HD2  LYS  35           HD2      LYS  35  19.116   8.877  -4.154
  268    HD3  LYS  35           HD3      LYS  35  20.693   8.818  -4.973
  269    HE2  LYS  35           HE2      LYS  35  20.165   8.660  -1.964
  270    HE3  LYS  35           HE3      LYS  35  20.424   7.232  -2.971
  271    HZ1  LYS  35           HZ3      LYS  35  22.478   7.794  -1.896
  272    HZ2  LYS  35           HZ1      LYS  35  22.665   8.102  -3.482
  273    HZ3  LYS  35           HZ2      LYS  35  22.453   9.355  -2.444
  274    H    ASN  36           H        ASN  36  19.261  15.171  -3.673
  275    HA   ASN  36           HA       ASN  36  17.679  16.751  -3.826
  276    HB2  ASN  36           HB2      ASN  36  17.470  17.831  -5.885
  277    HB3  ASN  36           HB3      ASN  36  19.099  17.203  -5.727
  278   HD21  ASN  36          HD22      ASN  36  15.932  16.410  -7.113
  279   HD22  ASN  36          HD21      ASN  36  16.536  15.766  -8.650
  280    H    TYR  37           H        TYR  37  16.425  14.253  -3.189
  281    HA   TYR  37           HA       TYR  37  13.808  14.268  -4.493
  282    HB2  TYR  37           HB2      TYR  37  14.926  13.102  -1.933
  283    HB3  TYR  37           HB3      TYR  37  13.208  13.102  -2.235
  284    HD1  TYR  37           HD2      TYR  37  16.437  11.582  -3.186
  285    HD2  TYR  37           HD1      TYR  37  12.170  11.610  -3.797
  286    HE1  TYR  37           HE2      TYR  37  16.652   9.625  -4.691
  287    HE2  TYR  37           HE1      TYR  37  12.385   9.652  -5.324
  288    HH   TYR  37           HH       TYR  37  15.541   8.179  -6.156
  289    H    ILE  38           H        ILE  38  15.388  16.261  -2.148
  290    HA   ILE  38           HA       ILE  38  12.944  17.815  -1.614
  291    HB   ILE  38           HB       ILE  38  13.535  17.835   0.817
  292   HG12  ILE  38          HG12      ILE  38  15.442  15.561   0.099
  293   HG13  ILE  38          HG13      ILE  38  15.915  17.198   0.573
  294   HG21  ILE  38          HG21      ILE  38  11.742  16.309   0.027
  295   HG22  ILE  38          HG22      ILE  38  12.955  15.007  -0.122
  296   HG23  ILE  38          HG23      ILE  38  12.574  15.707   1.454
  297   HD11  ILE  38          HD13      ILE  38  16.209  15.739   2.391
  298   HD12  ILE  38          HD11      ILE  38  14.856  16.845   2.775
  299   HD13  ILE  38          HD12      ILE  38  14.550  15.143   2.328
  300    H    SER  39           H        SER  39  13.642  19.819  -0.362
  301    HA   SER  39           HA       SER  39  16.309  20.840  -1.230
  302    HB2  SER  39           HB2      SER  39  13.881  22.446  -0.347
  303    HB3  SER  39           HB3      SER  39  15.306  23.014  -1.232
  304    HG   SER  39           HG       SER  39  13.239  21.275  -2.138
  305    H    GLU  40           H        GLU  40  17.404  22.251   0.469
  306    HA   GLU  40           HA       GLU  40  17.473  20.965   2.990
  307    HB2  GLU  40           HB2      GLU  40  18.440  23.736   2.167
  308    HB3  GLU  40           HB3      GLU  40  18.836  22.943   3.698
  309    HG2  GLU  40           HG2      GLU  40  19.884  21.058   2.449
  310    HG3  GLU  40           HG3      GLU  40  19.550  21.873   0.929
  311    H    ASN  41           H        ASN  41  15.571  23.780   1.920
  312    HA   ASN  41           HA       ASN  41  14.618  24.658   4.443
  313    HB2  ASN  41           HB2      ASN  41  14.223  25.893   2.328
  314    HB3  ASN  41           HB3      ASN  41  13.167  24.600   1.747
  315   HD21  ASN  41          HD22      ASN  41  10.979  24.402   2.662
  316   HD22  ASN  41          HD21      ASN  41  10.346  25.674   3.677
  317    H    TYR  42           H        TYR  42  13.602  21.889   2.446
  318    HA   TYR  42           HA       TYR  42  11.083  21.380   3.675
  319    HB2  TYR  42           HB2      TYR  42  11.929  20.394   1.530
  320    HB3  TYR  42           HB3      TYR  42  13.096  19.454   2.448
  321    HD1  TYR  42           HD2      TYR  42   9.502  19.898   1.774
  322    HD2  TYR  42           HD1      TYR  42  12.533  17.426   3.582
  323    HE1  TYR  42           HE2      TYR  42   7.879  18.019   1.917
  324    HE2  TYR  42           HE1      TYR  42  10.931  15.539   3.716
  325    HH   TYR  42           HH       TYR  42   7.517  15.902   2.761
  326    H    ILE  43           H        ILE  43  14.374  20.143   4.322
  327    HA   ILE  43           HA       ILE  43  13.822  18.476   6.516
  328    HB   ILE  43           HB       ILE  43  16.331  20.063   5.941
  329   HG12  ILE  43          HG12      ILE  43  15.251  17.363   5.023
  330   HG13  ILE  43          HG13      ILE  43  15.615  18.762   4.000
  331   HG21  ILE  43          HG21      ILE  43  17.471  18.434   7.313
  332   HG22  ILE  43          HG22      ILE  43  16.130  19.068   8.269
  333   HG23  ILE  43          HG23      ILE  43  15.990  17.473   7.517
  334   HD11  ILE  43          HD13      ILE  43  17.979  18.572   4.543
  335   HD12  ILE  43          HD11      ILE  43  17.630  17.086   5.472
  336   HD13  ILE  43          HD12      ILE  43  17.288  17.136   3.735
  337    H    GLN  44           H        GLN  44  14.774  21.976   6.409
  338    HA   GLN  44           HA       GLN  44  14.685  22.180   9.239
  339    HB2  GLN  44           HB2      GLN  44  15.963  23.662   7.523
  340    HB3  GLN  44           HB3      GLN  44  14.467  24.587   7.422
  341    HG2  GLN  44           HG2      GLN  44  15.996  25.593   9.070
  342    HG3  GLN  44           HG3      GLN  44  14.570  24.982   9.894
  343   HE21  GLN  44          HE22      GLN  44  15.127  23.997  11.865
  344   HE22  GLN  44          HE21      GLN  44  16.528  22.990  12.114
  345    H    ALA  45           H        ALA  45  12.104  22.563   6.847
  346    HA   ALA  45           HA       ALA  45  10.216  23.839   8.523
  347    HB1  ALA  45           HB3      ALA  45   8.512  22.879   7.077
  348    HB2  ALA  45           HB1      ALA  45   9.888  23.376   6.068
  349    HB3  ALA  45           HB2      ALA  45   9.621  21.656   6.466
  350    H    ILE  46           H        ILE  46  11.228  20.385   8.318
  351    HA   ILE  46           HA       ILE  46   9.162  19.420  10.081
  352    HB   ILE  46           HB       ILE  46  11.908  18.205   9.582
  353   HG12  ILE  46          HG12      ILE  46   9.423  17.654   7.959
  354   HG13  ILE  46          HG13      ILE  46  10.734  18.660   7.405
  355   HG21  ILE  46          HG21      ILE  46  10.876  16.134  10.236
  356   HG22  ILE  46          HG22      ILE  46  10.445  17.318  11.470
  357   HG23  ILE  46          HG23      ILE  46   9.250  16.864  10.242
  358   HD11  ILE  46          HD13      ILE  46  10.986  16.491   6.424
  359   HD12  ILE  46          HD11      ILE  46  12.319  16.790   7.556
  360   HD13  ILE  46          HD12      ILE  46  10.996  15.696   8.007
  361    H    LYS  47           H        LYS  47  12.662  20.248  10.454
  362    HA   LYS  47           HA       LYS  47  12.818  19.649  13.200
  363    HB2  LYS  47           HB2      LYS  47  14.273  21.718  11.513
  364    HB3  LYS  47           HB3      LYS  47  14.782  21.306  13.150
  365    HG2  LYS  47           HG2      LYS  47  15.494  19.109  12.475
  366    HG3  LYS  47           HG3      LYS  47  14.723  19.263  10.885
  367    HD2  LYS  47           HD2      LYS  47  16.219  21.047  10.263
  368    HD3  LYS  47           HD3      LYS  47  16.978  21.058  11.867
  369    HE2  LYS  47           HE2      LYS  47  18.030  18.932  11.452
  370    HE3  LYS  47           HE3      LYS  47  17.108  18.685   9.974
  371    HZ1  LYS  47           HZ3      LYS  47  19.286  19.471   9.374
  372    HZ2  LYS  47           HZ1      LYS  47  18.278  20.728   9.104
  373    HZ3  LYS  47           HZ2      LYS  47  19.220  20.721  10.432
  374    H    ASP  48           H        ASP  48  11.997  22.751  11.566
  375    HA   ASP  48           HA       ASP  48  11.744  24.353  13.879
  376    HB2  ASP  48           HB2      ASP  48  11.955  25.277  11.633
  377    HB3  ASP  48           HB3      ASP  48  10.422  24.544  11.146
  378    H    SER  49           H        SER  49   9.241  22.463  12.059
  379    HA   SER  49           HA       SER  49   7.054  23.214  13.734
  380    HB2  SER  49           HB2      SER  49   7.463  20.634  12.159
  381    HB3  SER  49           HB3      SER  49   5.920  21.286  12.742
  382    HG   SER  49           HG       SER  49   7.661  22.300  10.745
  383    H    THR  50           H        THR  50   9.449  20.593  13.935
  384    HA   THR  50           HA       THR  50   8.339  19.177  16.104
  385    HB   THR  50           HB       THR  50  11.224  19.436  15.205
  386    HG1  THR  50           HG1      THR  50   9.956  18.673  13.572
  387   HG21  THR  50          HG23      THR  50  11.116  18.417  17.438
  388   HG22  THR  50          HG21      THR  50   9.886  17.268  16.860
  389   HG23  THR  50          HG22      THR  50  11.530  17.231  16.187
  390    H    ILE  51           H        ILE  51  10.773  21.851  16.059
  391    HA   ILE  51           HA       ILE  51  10.990  22.042  18.903
  392    HB   ILE  51           HB       ILE  51  11.584  23.940  16.606
  393   HG12  ILE  51          HG12      ILE  51  13.484  22.426  18.460
  394   HG13  ILE  51          HG13      ILE  51  12.912  21.750  16.945
  395   HG21  ILE  51          HG21      ILE  51  11.193  25.357  18.582
  396   HG22  ILE  51          HG22      ILE  51  12.294  24.347  19.547
  397   HG23  ILE  51          HG23      ILE  51  12.902  25.325  18.195
  398   HD11  ILE  51          HD13      ILE  51  13.894  23.678  15.703
  399   HD12  ILE  51          HD11      ILE  51  14.608  24.256  17.231
  400   HD13  ILE  51          HD12      ILE  51  15.081  22.686  16.572
  401    H    ASN  52           H        ASN  52   8.809  23.665  16.553
  402    HA   ASN  52           HA       ASN  52   7.840  25.615  18.399
  403    HB2  ASN  52           HB2      ASN  52   6.964  24.598  15.683
  404    HB3  ASN  52           HB3      ASN  52   5.811  25.515  16.618
  405   HD21  ASN  52          HD22      ASN  52   9.119  25.713  15.286
  406   HD22  ASN  52          HD21      ASN  52   9.165  27.457  15.194
  407    H    ASN  53           H        ASN  53   6.644  22.374  17.562
  408    HA   ASN  53           HA       ASN  53   4.498  22.615  19.633
  409    HB2  ASN  53           HB2      ASN  53   3.183  23.240  17.869
  410    HB3  ASN  53           HB3      ASN  53   4.239  22.535  16.659
  411   HD21  ASN  53          HD22      ASN  53   3.751  20.589  15.778
  412   HD22  ASN  53          HD21      ASN  53   2.426  19.571  16.290
  413    H    GLY  54           H        GLY  54   6.123  20.413  17.240
  414    HA2  GLY  54           HA2      GLY  54   7.106  18.547  18.880
  415    HA3  GLY  54           HA3      GLY  54   5.400  18.064  18.855
  416    HA   PRO  55           HA       PRO  55   7.971  16.559  15.106
  417    HB2  PRO  55           HB2      PRO  55   7.769  13.810  15.619
  418    HB3  PRO  55           HB3      PRO  55   9.140  14.860  16.078
  419    HG2  PRO  55           HG2      PRO  55   6.774  14.028  17.763
  420    HG3  PRO  55           HG3      PRO  55   8.508  14.059  18.213
  421    HD2  PRO  55           HD2      PRO  55   6.821  16.035  18.953
  422    HD3  PRO  55           HD3      PRO  55   8.480  16.434  18.418
  423    H    TYR  56           H        TYR  56   7.040  15.925  13.222
  424    HA   TYR  56           HA       TYR  56   4.426  16.517  12.800
  425    HB2  TYR  56           HB2      TYR  56   6.632  15.419  11.241
  426    HB3  TYR  56           HB3      TYR  56   5.125  14.709  10.726
  427    HD1  TYR  56           HD2      TYR  56   6.769  18.021  11.350
  428    HD2  TYR  56           HD1      TYR  56   3.736  15.826   9.205
  429    HE1  TYR  56           HE2      TYR  56   6.466  19.948   9.811
  430    HE2  TYR  56           HE1      TYR  56   3.431  17.739   7.663
  431    HH   TYR  56           HH       TYR  56   5.343  20.761   7.924
  432    H    TYR  57           H        TYR  57   5.632  13.158  13.386
  433    HA   TYR  57           HA       TYR  57   2.940  12.292  13.993
  434    HB2  TYR  57           HB2      TYR  57   4.543  10.912  11.802
  435    HB3  TYR  57           HB3      TYR  57   3.150  10.232  12.591
  436    HD1  TYR  57           HD2      TYR  57   0.866  11.152  12.233
  437    HD2  TYR  57           HD1      TYR  57   4.282  12.496   9.969
  438    HE1  TYR  57           HE2      TYR  57  -0.653  12.065  10.508
  439    HE2  TYR  57           HE1      TYR  57   2.766  13.456   8.253
  440    HH   TYR  57           HH       TYR  57  -0.811  13.111   8.448
  441    H    ILE  58           H        ILE  58   3.025  10.671  15.409
  442    HA   ILE  58           HA       ILE  58   5.489   9.209  16.078
  443    HB   ILE  58           HB       ILE  58   3.654  10.674  18.015
  444   HG12  ILE  58          HG12      ILE  58   5.349  12.178  17.255
  445   HG13  ILE  58          HG13      ILE  58   5.662  11.730  18.921
  446   HG21  ILE  58          HG21      ILE  58   5.772   8.541  18.595
  447   HG22  ILE  58          HG22      ILE  58   5.061   9.602  19.834
  448   HG23  ILE  58          HG23      ILE  58   4.043   8.462  18.950
  449   HD11  ILE  58          HD13      ILE  58   7.162  10.824  16.448
  450   HD12  ILE  58          HD11      ILE  58   7.782  11.748  17.816
  451   HD13  ILE  58          HD12      ILE  58   7.379  10.041  18.018
  452    H    LEU  59           H        LEU  59   4.896   7.060  16.273
  453    HA   LEU  59           HA       LEU  59   2.014   6.511  15.663
  454    HB2  LEU  59           HB2      LEU  59   4.447   4.904  14.817
  455    HB3  LEU  59           HB3      LEU  59   2.783   4.649  14.345
  456    HG   LEU  59           HG       LEU  59   3.876   5.574  12.514
  457   HD11  LEU  59          HD11      LEU  59   2.301   7.883  13.672
  458   HD12  LEU  59          HD12      LEU  59   2.680   7.586  11.964
  459   HD13  LEU  59          HD13      LEU  59   1.630   6.463  12.840
  460   HD21  LEU  59          HD23      LEU  59   5.783   6.634  13.898
  461   HD22  LEU  59          HD21      LEU  59   5.332   7.306  12.347
  462   HD23  LEU  59          HD22      LEU  59   4.794   8.114  13.818
  463    H    ALA  60           H        ALA  60   4.737   5.623  17.712
  464    HA   ALA  60           HA       ALA  60   3.125   4.044  19.484
  465    HB1  ALA  60           HB3      ALA  60   3.530   2.345  17.659
  466    HB2  ALA  60           HB1      ALA  60   5.277   2.648  17.808
  467    HB3  ALA  60           HB2      ALA  60   4.383   1.910  19.143
  468    HA   PRO  61           HA       PRO  61   6.547   5.180  22.211
  469    HB2  PRO  61           HB2      PRO  61   6.710   2.198  22.793
  470    HB3  PRO  61           HB3      PRO  61   6.823   3.562  23.942
  471    HG2  PRO  61           HG2      PRO  61   4.499   2.222  23.691
  472    HG3  PRO  61           HG3      PRO  61   4.471   4.017  23.733
  473    HD2  PRO  61           HD2      PRO  61   4.301   2.185  21.340
  474    HD3  PRO  61           HD3      PRO  61   3.358   3.664  21.697
  475    H    GLY  62           H        GLY  62   8.419   5.775  21.259
  476    HA2  GLY  62           HA2      GLY  62  10.609   5.471  20.666
  477    HA3  GLY  62           HA3      GLY  62  10.356   3.744  20.461
  478    H    VAL  63           H        VAL  63   7.922   5.294  18.617
  479    HA   VAL  63           HA       VAL  63   9.594   5.068  16.150
  480    HB   VAL  63           HB       VAL  63   6.778   4.030  16.654
  481   HG11  VAL  63          HG11      VAL  63   8.492   3.684  14.159
  482   HG12  VAL  63          HG12      VAL  63   6.829   3.100  14.379
  483   HG13  VAL  63          HG13      VAL  63   7.153   4.819  14.299
  484   HG21  VAL  63          HG23      VAL  63   8.396   2.577  17.744
  485   HG22  VAL  63          HG21      VAL  63   7.856   1.784  16.272
  486   HG23  VAL  63          HG22      VAL  63   9.437   2.574  16.304
  487    H    ALA  64           H        ALA  64   9.513   6.766  14.844
  488    HA   ALA  64           HA       ALA  64   7.192   8.638  14.900
  489    HB1  ALA  64           HB3      ALA  64  10.129   9.392  14.575
  490    HB2  ALA  64           HB1      ALA  64   8.745  10.497  14.614
  491    HB3  ALA  64           HB2      ALA  64   9.194   9.605  16.078
  492    H    MET  65           H        MET  65   7.047   9.902  12.868
  493    HA   MET  65           HA       MET  65   8.616   8.946  10.620
  494    HB2  MET  65           HB2      MET  65   6.861   7.316  10.613
  495    HB3  MET  65           HB3      MET  65   5.637   8.586  10.653
  496    HG2  MET  65           HG2      MET  65   7.529   8.755   8.370
  497    HG3  MET  65           HG3      MET  65   6.593   7.270   8.427
  498    HE1  MET  65           HE3      MET  65   3.606   8.786   9.768
  499    HE2  MET  65           HE1      MET  65   2.948   8.336   8.171
  500    HE3  MET  65           HE2      MET  65   4.097   7.252   9.008
  501    HA   PRO  66           HA       PRO  66   7.618  13.367  11.251
  502    HB2  PRO  66           HB2      PRO  66  10.391  13.749  10.074
  503    HB3  PRO  66           HB3      PRO  66   9.589  14.581  11.452
  504    HG2  PRO  66           HG2      PRO  66  11.393  12.624  11.883
  505    HG3  PRO  66           HG3      PRO  66   9.878  12.672  12.847
  506    HD2  PRO  66           HD2      PRO  66  10.478  11.009  10.380
  507    HD3  PRO  66           HD3      PRO  66   9.789  10.490  11.942
  508    H    HIS  67           H        HIS  67   9.709  13.583   8.426
  509    HA   HIS  67           HA       HIS  67   9.526  14.627   6.508
  510    HB2  HIS  67           HB2      HIS  67   8.512  13.592   4.929
  511    HB3  HIS  67           HB3      HIS  67   8.151  12.374   6.146
  512    HD1  HIS  67           HD1      HIS  67   5.519  13.410   7.354
  513    HD2  HIS  67           HD2      HIS  67   6.599  13.854   3.298
  514    HE1  HIS  67           HE1      HIS  67   3.325  13.699   6.032
  515    H    ALA  68           H        ALA  68   7.875  15.987   4.954
  516    HA   ALA  68           HA       ALA  68   6.287  17.892   6.578
  517    HB1  ALA  68           HB3      ALA  68   7.369  19.776   5.341
  518    HB2  ALA  68           HB1      ALA  68   8.392  19.029   6.556
  519    HB3  ALA  68           HB2      ALA  68   8.656  18.663   4.839
  520    H    ARG  69           H        ARG  69   4.903  19.199   5.196
  521    HA   ARG  69           HA       ARG  69   3.656  17.565   3.190
  522    HB2  ARG  69           HB2      ARG  69   3.381  20.542   3.770
  523    HB3  ARG  69           HB3      ARG  69   2.249  19.591   2.794
  524    HG2  ARG  69           HG2      ARG  69   2.777  19.396   5.782
  525    HG3  ARG  69           HG3      ARG  69   1.306  19.943   4.988
  526    HD2  ARG  69           HD2      ARG  69   0.835  17.665   4.191
  527    HD3  ARG  69           HD3      ARG  69   2.380  17.091   4.859
  528    HE   ARG  69           HE       ARG  69   0.702  18.389   6.829
  529   HH11  ARG  69          HH11      ARG  69   1.132  15.228   5.191
  530   HH12  ARG  69          HH12      ARG  69   0.668  14.335   6.596
  531   HH21  ARG  69          HH21      ARG  69   0.097  17.115   8.657
  532   HH22  ARG  69          HH22      ARG  69   0.094  15.385   8.530
  533    HA   PRO  70           HA       PRO  70   6.051  17.989  -0.423
  534    HB2  PRO  70           HB2      PRO  70   3.520  19.098  -1.712
  535    HB3  PRO  70           HB3      PRO  70   4.693  17.950  -2.404
  536    HG2  PRO  70           HG2      PRO  70   2.409  17.049  -1.279
  537    HG3  PRO  70           HG3      PRO  70   3.946  16.209  -0.904
  538    HD2  PRO  70           HD2      PRO  70   2.396  18.152   0.787
  539    HD3  PRO  70           HD3      PRO  70   3.340  16.710   1.270
  540    H    GLU  71           H        GLU  71   3.865  20.811  -0.006
  541    HA   GLU  71           HA       GLU  71   5.244  22.654  -1.587
  542    HB2  GLU  71           HB2      GLU  71   3.844  24.326  -0.493
  543    HB3  GLU  71           HB3      GLU  71   2.917  22.879  -0.879
  544    HG2  GLU  71           HG2      GLU  71   3.090  22.129   1.494
  545    HG3  GLU  71           HG3      GLU  71   4.026  23.572   1.883
  546    H    CYS  72           H        CYS  72   6.393  21.378   1.368
  547    HA   CYS  72           HA       CYS  72   7.721  23.827   2.292
  548    HB2  CYS  72           HB2      CYS  72   8.044  20.938   3.216
  549    HB3  CYS  72           HB3      CYS  72   8.660  22.389   4.025
  550    HG   CYS  72           HG       CYS  72   5.590  21.392   3.411
  551    H    GLY  73           H        GLY  73   8.313  21.730  -0.283
  552    HA2  GLY  73           HA2      GLY  73  10.249  22.568  -1.587
  553    HA3  GLY  73           HA3      GLY  73  11.264  22.291  -0.172
  554    H    ALA  74           H        ALA  74   8.730  19.913  -0.925
  555    HA   ALA  74           HA       ALA  74  10.705  17.810  -1.470
  556    HB1  ALA  74           HB3      ALA  74   8.765  16.458  -1.988
  557    HB2  ALA  74           HB1      ALA  74   8.494  17.310  -0.454
  558    HB3  ALA  74           HB2      ALA  74   7.719  17.890  -1.955
  559    H    LEU  75           H        LEU  75  11.121  16.889  -3.450
  560    HA   LEU  75           HA       LEU  75  10.426  18.482  -5.885
  561    HB2  LEU  75           HB2      LEU  75  13.089  17.265  -5.102
  562    HB3  LEU  75           HB3      LEU  75  12.760  18.067  -6.630
  563    HG   LEU  75           HG       LEU  75  12.721  19.408  -3.890
  564   HD11  LEU  75          HD11      LEU  75  14.819  20.473  -4.615
  565   HD12  LEU  75          HD12      LEU  75  14.978  18.715  -4.550
  566   HD13  LEU  75          HD13      LEU  75  14.793  19.523  -6.120
  567   HD21  LEU  75          HD23      LEU  75  12.526  20.620  -6.689
  568   HD22  LEU  75          HD21      LEU  75  11.227  20.577  -5.478
  569   HD23  LEU  75          HD22      LEU  75  12.678  21.531  -5.170
  570    H    LYS  76           H        LYS  76  11.149  15.303  -4.445
  571    HA   LYS  76           HA       LYS  76   9.810  14.014  -6.703
  572    HB2  LYS  76           HB2      LYS  76  12.513  13.158  -5.632
  573    HB3  LYS  76           HB3      LYS  76  11.555  12.253  -6.804
  574    HG2  LYS  76           HG2      LYS  76  11.794  14.184  -8.400
  575    HG3  LYS  76           HG3      LYS  76  12.878  14.970  -7.235
  576    HD2  LYS  76           HD2      LYS  76  13.355  12.236  -8.512
  577    HD3  LYS  76           HD3      LYS  76  14.083  13.760  -9.046
  578    HE2  LYS  76           HE2      LYS  76  15.143  14.041  -6.810
  579    HE3  LYS  76           HE3      LYS  76  14.458  12.500  -6.283
  580    HZ1  LYS  76           HZ3      LYS  76  16.775  12.406  -7.040
  581    HZ2  LYS  76           HZ1      LYS  76  15.808  11.364  -7.875
  582    HZ3  LYS  76           HZ2      LYS  76  16.324  12.758  -8.567
  583    H    THR  77           H        THR  77   8.988  11.854  -6.071
  584    HA   THR  77           HA       THR  77   8.440  11.764  -3.277
  585    HB   THR  77           HB       THR  77   7.445  10.242  -5.698
  586    HG1  THR  77           HG1      THR  77   5.992  11.741  -5.855
  587   HG21  THR  77          HG23      THR  77   6.255  10.427  -2.907
  588   HG22  THR  77          HG21      THR  77   5.567   9.564  -4.314
  589   HG23  THR  77          HG22      THR  77   7.074   8.999  -3.587
  590    H    GLY  78           H        GLY  78   9.384  10.400  -1.790
  591    HA2  GLY  78           HA2      GLY  78  10.584   7.860  -2.430
  592    HA3  GLY  78           HA3      GLY  78  11.793   9.133  -2.197
  593    H    MET  79           H        MET  79  12.197   7.394  -0.327
  594    HA   MET  79           HA       MET  79  11.145   8.496   2.190
  595    HB2  MET  79           HB2      MET  79  10.828   5.605   1.281
  596    HB3  MET  79           HB3      MET  79  10.833   6.054   2.979
  597    HG2  MET  79           HG2      MET  79   8.856   7.453   2.703
  598    HG3  MET  79           HG3      MET  79   8.801   7.072   0.982
  599    HE1  MET  79           HE3      MET  79   5.977   4.673   1.547
  600    HE2  MET  79           HE1      MET  79   6.081   6.349   2.136
  601    HE3  MET  79           HE2      MET  79   6.744   5.924   0.550
  602    H    SER  80           H        SER  80  12.283   7.367   4.082
  603    HA   SER  80           HA       SER  80  14.762   6.004   3.576
  604    HB2  SER  80           HB2      SER  80  14.814   8.870   4.594
  605    HB3  SER  80           HB3      SER  80  16.135   7.723   4.899
  606    HG   SER  80           HG       SER  80  15.171   7.960   2.281
  607    H    LEU  81           H        LEU  81  15.842   5.516   5.739
  608    HA   LEU  81           HA       LEU  81  13.891   5.086   7.920
  609    HB2  LEU  81           HB2      LEU  81  14.032   3.259   6.129
  610    HB3  LEU  81           HB3      LEU  81  15.726   3.056   6.519
  611    HG   LEU  81           HG       LEU  81  15.234   2.156   8.685
  612   HD11  LEU  81          HD11      LEU  81  12.840   1.810   9.398
  613   HD12  LEU  81          HD12      LEU  81  13.348   3.502   9.423
  614   HD13  LEU  81          HD13      LEU  81  12.375   2.883   8.066
  615   HD21  LEU  81          HD23      LEU  81  13.994   0.150   7.920
  616   HD22  LEU  81          HD21      LEU  81  13.248   1.100   6.625
  617   HD23  LEU  81          HD22      LEU  81  14.967   0.764   6.553
  618    H    THR  82           H        THR  82  14.865   5.455   9.911
  619    HA   THR  82           HA       THR  82  17.841   5.305  10.136
  620    HB   THR  82           HB       THR  82  15.957   7.390  11.316
  621    HG1  THR  82           HG1      THR  82  16.662   8.770   9.902
  622   HG21  THR  82          HG23      THR  82  18.062   8.601  11.885
  623   HG22  THR  82          HG21      THR  82  17.868   7.064  12.733
  624   HG23  THR  82          HG22      THR  82  18.994   7.175  11.357
  625    H    LEU  83           H        LEU  83  18.490   4.179  11.960
  626    HA   LEU  83           HA       LEU  83  16.529   3.940  14.187
  627    HB2  LEU  83           HB2      LEU  83  16.818   1.767  12.918
  628    HB3  LEU  83           HB3      LEU  83  18.540   1.840  13.330
  629    HG   LEU  83           HG       LEU  83  17.762   1.948  15.805
  630   HD11  LEU  83          HD11      LEU  83  15.371   2.473  15.355
  631   HD12  LEU  83          HD12      LEU  83  15.158   0.869  14.597
  632   HD13  LEU  83          HD13      LEU  83  15.585   1.021  16.323
  633   HD21  LEU  83          HD23      LEU  83  18.807  -0.037  14.835
  634   HD22  LEU  83          HD21      LEU  83  17.487  -0.511  15.920
  635   HD23  LEU  83          HD22      LEU  83  17.244  -0.543  14.162
  636    H    LEU  84           H        LEU  84  17.353   4.540  16.108
  637    HA   LEU  84           HA       LEU  84  20.271   5.121  16.406
  638    HB2  LEU  84           HB2      LEU  84  17.775   6.345  17.617
  639    HB3  LEU  84           HB3      LEU  84  19.332   6.417  18.442
  640    HG   LEU  84           HG       LEU  84  20.330   7.744  16.741
  641   HD11  LEU  84          HD11      LEU  84  19.027   8.676  14.836
  642   HD12  LEU  84          HD12      LEU  84  19.333   6.947  14.693
  643   HD13  LEU  84          HD13      LEU  84  17.722   7.518  15.199
  644   HD21  LEU  84          HD23      LEU  84  17.565   8.740  17.550
  645   HD22  LEU  84          HD21      LEU  84  19.063   8.852  18.507
  646   HD23  LEU  84          HD22      LEU  84  18.897   9.763  17.001
  647    H    GLU  85           H        GLU  85  21.268   3.771  17.926
  648    HA   GLU  85           HA       GLU  85  19.807   1.696  19.218
  649    HB2  GLU  85           HB2      GLU  85  22.605   2.786  19.719
  650    HB3  GLU  85           HB3      GLU  85  21.948   1.342  20.496
  651    HG2  GLU  85           HG2      GLU  85  21.589   0.299  18.269
  652    HG3  GLU  85           HG3      GLU  85  22.317   1.703  17.491
  653    H    GLN  86           H        GLN  86  21.078   4.790  20.387
  654    HA   GLN  86           HA       GLN  86  20.085   4.381  23.113
  655    HB2  GLN  86           HB2      GLN  86  21.303   6.771  21.679
  656    HB3  GLN  86           HB3      GLN  86  20.881   6.784  23.380
  657    HG2  GLN  86           HG2      GLN  86  22.846   4.818  22.123
  658    HG3  GLN  86           HG3      GLN  86  23.307   6.297  22.958
  659   HE21  GLN  86          HE22      GLN  86  22.943   2.981  23.398
  660   HE22  GLN  86          HE21      GLN  86  22.748   2.956  25.131
  661    H    GLY  87           H        GLY  87  18.861   5.834  20.178
  662    HA2  GLY  87           HA2      GLY  87  16.941   6.970  19.677
  663    HA3  GLY  87           HA3      GLY  87  16.343   6.735  21.331
  664    H    VAL  88           H        VAL  88  15.954   9.196  20.056
  665    HA   VAL  88           HA       VAL  88  17.401  10.856  21.985
  666    HB   VAL  88           HB       VAL  88  18.297  10.978  19.415
  667   HG11  VAL  88          HG11      VAL  88  17.487  12.908  18.275
  668   HG12  VAL  88          HG12      VAL  88  16.174  11.729  18.480
  669   HG13  VAL  88          HG13      VAL  88  16.238  13.196  19.493
  670   HG21  VAL  88          HG23      VAL  88  18.199  13.270  21.371
  671   HG22  VAL  88          HG21      VAL  88  19.377  11.937  21.308
  672   HG23  VAL  88          HG22      VAL  88  19.295  13.102  19.979
  673    H    TYR  89           H        TYR  89  16.097  12.997  22.249
  674    HA   TYR  89           HA       TYR  89  13.233  12.146  22.277
  675    HB2  TYR  89           HB2      TYR  89  14.340  11.762  24.394
  676    HB3  TYR  89           HB3      TYR  89  14.864  13.437  24.458
  677    HD1  TYR  89           HD2      TYR  89  11.377  13.021  23.234
  678    HD2  TYR  89           HD1      TYR  89  13.902  13.330  26.748
  679    HE1  TYR  89           HE2      TYR  89   9.448  13.664  24.583
  680    HE2  TYR  89           HE1      TYR  89  11.939  13.972  28.100
  681    HH   TYR  89           HH       TYR  89   9.655  14.434  28.091
  682    H    PHE  90           H        PHE  90  12.601  13.281  20.558
  683    HA   PHE  90           HA       PHE  90  12.888  15.965  19.915
  684    HB2  PHE  90           HB2      PHE  90  10.502  14.086  19.829
  685    HB3  PHE  90           HB3      PHE  90  10.491  15.676  19.069
  686    HD1  PHE  90           HD1      PHE  90  12.914  16.046  17.681
  687    HD2  PHE  90           HD2      PHE  90  10.623  12.424  18.118
  688    HE1  PHE  90           HE1      PHE  90  13.848  15.208  15.559
  689    HE2  PHE  90           HE2      PHE  90  11.541  11.594  15.966
  690    HZ   PHE  90           HZ       PHE  90  13.144  13.004  14.672
  691    HA   PRO  91           HA       PRO  91  10.634  18.089  23.250
  692    HB2  PRO  91           HB2      PRO  91  10.146  20.483  21.997
  693    HB3  PRO  91           HB3      PRO  91  11.755  20.031  22.642
  694    HG2  PRO  91           HG2      PRO  91  10.740  19.729  19.800
  695    HG3  PRO  91           HG3      PRO  91  12.280  20.485  20.342
  696    HD2  PRO  91           HD2      PRO  91  12.164  17.932  19.461
  697    HD3  PRO  91           HD3      PRO  91  13.211  18.360  20.850
  698    H    GLY  92           H        GLY  92   8.378  18.795  23.563
  699    HA2  GLY  92           HA2      GLY  92   6.128  18.953  23.121
  700    HA3  GLY  92           HA3      GLY  92   6.453  18.683  21.404
  701    H    ASN  93           H        ASN  93   7.847  16.165  21.722
  702    HA   ASN  93           HA       ASN  93   5.712  14.225  22.026
  703    HB2  ASN  93           HB2      ASN  93   7.766  14.124  20.493
  704    HB3  ASN  93           HB3      ASN  93   8.718  13.769  21.934
  705   HD21  ASN  93          HD22      ASN  93   9.189  11.827  20.482
  706   HD22  ASN  93          HD21      ASN  93   8.139  10.452  20.695
  707    H    ASP  94           H        ASP  94   6.347  12.214  23.520
  708    HA   ASP  94           HA       ASP  94   6.753  13.289  26.275
  709    HB2  ASP  94           HB2      ASP  94   4.490  12.505  25.714
  710    HB3  ASP  94           HB3      ASP  94   5.141  10.924  25.274
  711    H    GLU  95           H        GLU  95   8.038  10.900  24.012
  712    HA   GLU  95           HA       GLU  95  10.040  10.202  26.017
  713    HB2  GLU  95           HB2      GLU  95   9.521   7.979  26.180
  714    HB3  GLU  95           HB3      GLU  95   7.921   8.699  26.005
  715    HG2  GLU  95           HG2      GLU  95   7.977   8.114  23.555
  716    HG3  GLU  95           HG3      GLU  95   9.490   7.244  23.855
  717    HA   PRO  96           HA       PRO  96  12.947  10.089  22.754
  718    HB2  PRO  96           HB2      PRO  96  13.838   7.328  23.532
  719    HB3  PRO  96           HB3      PRO  96  14.815   8.814  23.332
  720    HG2  PRO  96           HG2      PRO  96  14.179   7.848  25.794
  721    HG3  PRO  96           HG3      PRO  96  14.187   9.610  25.468
  722    HD2  PRO  96           HD2      PRO  96  11.813   7.732  25.570
  723    HD3  PRO  96           HD3      PRO  96  11.991   9.376  26.257
  724    H    ILE  97           H        ILE  97  13.383   9.260  20.679
  725    HA   ILE  97           HA       ILE  97  11.689   7.007  19.676
  726    HB   ILE  97           HB       ILE  97  12.647   9.529  18.272
  727   HG12  ILE  97          HG12      ILE  97  10.818  10.129  19.686
  728   HG13  ILE  97          HG13      ILE  97  10.224  10.058  18.043
  729   HG21  ILE  97          HG21      ILE  97  10.975   7.245  17.137
  730   HG22  ILE  97          HG22      ILE  97  11.438   8.741  16.314
  731   HG23  ILE  97          HG23      ILE  97  12.665   7.564  16.729
  732   HD11  ILE  97          HD13      ILE  97   9.170   7.843  18.524
  733   HD12  ILE  97          HD11      ILE  97   9.749   7.950  20.209
  734   HD13  ILE  97          HD12      ILE  97   8.588   9.100  19.613
  735    H    LYS  98           H        LYS  98  12.771   5.359  18.939
  736    HA   LYS  98           HA       LYS  98  15.713   5.598  18.473
  737    HB2  LYS  98           HB2      LYS  98  13.865   3.225  18.866
  738    HB3  LYS  98           HB3      LYS  98  15.514   3.093  18.234
  739    HG2  LYS  98           HG2      LYS  98  16.440   4.004  20.304
  740    HG3  LYS  98           HG3      LYS  98  14.821   4.277  20.952
  741    HD2  LYS  98           HD2      LYS  98  15.917   2.234  21.866
  742    HD3  LYS  98           HD3      LYS  98  14.368   1.913  21.072
  743    HE2  LYS  98           HE2      LYS  98  15.559   1.144  19.035
  744    HE3  LYS  98           HE3      LYS  98  17.116   1.479  19.799
  745    HZ1  LYS  98           HZ3      LYS  98  15.159  -0.430  20.945
  746    HZ2  LYS  98           HZ1      LYS  98  16.266  -0.890  19.851
  747    HZ3  LYS  98           HZ2      LYS  98  16.749  -0.295  21.310
  748    H    LEU  99           H        LEU  99  12.538   4.980  16.859
  749    HA   LEU  99           HA       LEU  99  14.087   4.497  14.344
  750    HB2  LEU  99           HB2      LEU  99  12.918   2.531  15.322
  751    HB3  LEU  99           HB3      LEU  99  11.391   3.370  15.134
  752    HG   LEU  99           HG       LEU  99  12.009   1.610  13.500
  753   HD11  LEU  99          HD11      LEU  99  11.149   4.289  12.378
  754   HD12  LEU  99          HD12      LEU  99  11.146   2.803  11.445
  755   HD13  LEU  99          HD13      LEU  99  10.156   2.920  12.904
  756   HD21  LEU  99          HD23      LEU  99  13.501   1.753  11.757
  757   HD22  LEU  99          HD21      LEU  99  13.630   3.506  11.872
  758   HD23  LEU  99          HD22      LEU  99  14.417   2.460  13.075
  759    H    LEU 100           H        LEU 100  13.729   5.714  12.661
  760    HA   LEU 100           HA       LEU 100  11.332   7.490  12.632
  761    HB2  LEU 100           HB2      LEU 100  14.056   8.366  11.612
  762    HB3  LEU 100           HB3      LEU 100  12.594   9.297  11.763
  763    HG   LEU 100           HG       LEU 100  12.897   8.712  14.375
  764   HD11  LEU 100          HD11      LEU 100  14.988   7.323  14.046
  765   HD12  LEU 100          HD12      LEU 100  15.782   8.759  13.376
  766   HD13  LEU 100          HD13      LEU 100  15.250   8.739  15.067
  767   HD21  LEU 100          HD23      LEU 100  12.783  10.963  13.438
  768   HD22  LEU 100          HD21      LEU 100  14.083  10.852  14.643
  769   HD23  LEU 100          HD22      LEU 100  14.479  10.860  12.912
  770    H    ILE 101           H        ILE 101  10.270   7.428  10.703
  771    HA   ILE 101           HA       ILE 101  11.728   6.388   8.319
  772    HB   ILE 101           HB       ILE 101   8.773   6.108   9.050
  773   HG12  ILE 101          HG12      ILE 101  11.139   4.408   9.141
  774   HG13  ILE 101          HG13      ILE 101   9.565   4.225   9.878
  775   HG21  ILE 101          HG21      ILE 101   8.869   6.966   6.773
  776   HG22  ILE 101          HG22      ILE 101  10.042   5.711   6.321
  777   HG23  ILE 101          HG23      ILE 101   8.373   5.295   6.796
  778   HD11  ILE 101          HD13      ILE 101   8.704   3.288   7.725
  779   HD12  ILE 101          HD11      ILE 101  10.353   3.429   7.056
  780   HD13  ILE 101          HD12      ILE 101  10.032   2.347   8.429
  781    H    GLY 102           H        GLY 102  11.940   7.738   6.682
  782    HA2  GLY 102           HA2      GLY 102  10.784  10.488   6.877
  783    HA3  GLY 102           HA3      GLY 102  12.298  10.065   6.048
  784    H    LEU 103           H        LEU 103  10.084  11.349   4.798
  785    HA   LEU 103           HA       LEU 103   9.466   9.555   2.583
  786    HB2  LEU 103           HB2      LEU 103   7.593   9.378   4.394
  787    HB3  LEU 103           HB3      LEU 103   7.271  11.061   4.055
  788    HG   LEU 103           HG       LEU 103   6.801   8.607   2.287
  789   HD11  LEU 103          HD11      LEU 103   4.952  10.888   3.187
  790   HD12  LEU 103          HD12      LEU 103   4.504   9.277   2.591
  791   HD13  LEU 103          HD13      LEU 103   5.220   9.477   4.190
  792   HD21  LEU 103          HD23      LEU 103   5.670  10.336   0.724
  793   HD22  LEU 103          HD21      LEU 103   6.708  11.528   1.472
  794   HD23  LEU 103          HD22      LEU 103   7.393  10.080   0.629
  795    H    SER 104           H        SER 104   9.067  10.968   0.698
  796    HA   SER 104           HA       SER 104   8.935  13.863   1.061
  797    HB2  SER 104           HB2      SER 104  10.592  14.316  -0.651
  798    HB3  SER 104           HB3      SER 104  11.332  13.496   0.731
  799    HG   SER 104           HG       SER 104  10.910  12.649  -1.889
  800    H    ALA 105           H        ALA 105   7.607  14.724  -0.741
  801    HA   ALA 105           HA       ALA 105   6.791  12.785  -2.785
  802    HB1  ALA 105           HB3      ALA 105   5.248  12.242  -0.965
  803    HB2  ALA 105           HB1      ALA 105   4.842  13.967  -0.773
  804    HB3  ALA 105           HB2      ALA 105   4.392  13.105  -2.259
  805    H    ALA 106           H        ALA 106   6.501  13.838  -4.670
  806    HA   ALA 106           HA       ALA 106   6.867  16.702  -4.689
  807    HB1  ALA 106           HB3      ALA 106   7.827  15.231  -6.443
  808    HB2  ALA 106           HB1      ALA 106   6.188  14.760  -6.954
  809    HB3  ALA 106           HB2      ALA 106   6.740  16.436  -7.154
  810    H    ASP 107           H        ASP 107   4.071  14.621  -4.536
  811    HA   ASP 107           HA       ASP 107   2.293  16.990  -4.830
  812    HB2  ASP 107           HB2      ASP 107   2.299  15.880  -7.031
  813    HB3  ASP 107           HB3      ASP 107   1.898  14.340  -6.270
  814    H    ALA 108           H        ALA 108   0.273  16.760  -3.708
  815    HA   ALA 108           HA       ALA 108   0.557  15.539  -1.199
  816    HB1  ALA 108           HB3      ALA 108  -1.779  16.228  -0.826
  817    HB2  ALA 108           HB1      ALA 108  -0.842  17.524  -1.595
  818    HB3  ALA 108           HB2      ALA 108  -1.974  16.544  -2.562
  819    H    ASP 109           H        ASP 109  -1.002  14.247  -4.146
  820    HA   ASP 109           HA       ASP 109  -2.268  12.052  -2.645
  821    HB2  ASP 109           HB2      ASP 109  -3.361  12.865  -4.618
  822    HB3  ASP 109           HB3      ASP 109  -1.914  12.549  -5.604
  823    H    SER 110           H        SER 110   0.735  12.611  -4.456
  824    HA   SER 110           HA       SER 110   1.667   9.891  -4.378
  825    HB2  SER 110           HB2      SER 110   3.344  12.439  -4.326
  826    HB3  SER 110           HB3      SER 110   3.850  10.821  -4.814
  827    HG   SER 110           HG       SER 110   3.329  12.078  -6.629
  828    H    HIS 111           H        HIS 111   1.850  12.644  -2.085
  829    HA   HIS 111           HA       HIS 111   3.274  11.371   0.016
  830    HB2  HIS 111           HB2      HIS 111   3.033  13.555   0.556
  831    HB3  HIS 111           HB3      HIS 111   1.545  13.714  -0.360
  832    HD1  HIS 111           HD1      HIS 111  -0.671  13.777   0.924
  833    HD2  HIS 111           HD2      HIS 111   2.668  12.635   3.206
  834    HE1  HIS 111           HE1      HIS 111  -1.420  13.831   3.376
  835    H    ILE 112           H        ILE 112  -0.278  11.466  -0.624
  836    HA   ILE 112           HA       ILE 112  -1.018   9.868   1.589
  837    HB   ILE 112           HB       ILE 112  -2.256  10.324  -1.156
  838   HG12  ILE 112          HG12      ILE 112  -2.176  12.275   0.417
  839   HG13  ILE 112          HG13      ILE 112  -3.775  11.815  -0.125
  840   HG21  ILE 112          HG21      ILE 112  -3.422   8.753   1.134
  841   HG22  ILE 112          HG22      ILE 112  -4.373   9.427  -0.222
  842   HG23  ILE 112          HG23      ILE 112  -3.122   8.221  -0.539
  843   HD11  ILE 112          HD13      ILE 112  -4.237  10.783   2.046
  844   HD12  ILE 112          HD11      ILE 112  -2.570  11.117   2.582
  845   HD13  ILE 112          HD12      ILE 112  -3.686  12.459   2.240
  846    H    GLY 113           H        GLY 113  -0.292   8.796  -1.814
  847    HA2  GLY 113           HA2      GLY 113  -0.680   6.046  -1.323
  848    HA3  GLY 113           HA3      GLY 113   0.356   6.735  -2.590
  849    H    ALA 114           H        ALA 114   2.219   8.080  -0.882
  850    HA   ALA 114           HA       ALA 114   4.082   5.986  -0.280
  851    HB1  ALA 114           HB3      ALA 114   4.016   8.944   0.419
  852    HB2  ALA 114           HB1      ALA 114   5.438   7.885   0.546
  853    HB3  ALA 114           HB2      ALA 114   4.731   8.243  -1.031
  854    H    ILE 115           H        ILE 115   2.251   8.250   1.898
  855    HA   ILE 115           HA       ILE 115   3.002   7.296   4.335
  856    HB   ILE 115           HB       ILE 115   0.612   8.548   3.185
  857   HG12  ILE 115          HG12      ILE 115   2.576   9.961   3.660
  858   HG13  ILE 115          HG13      ILE 115   1.116  10.476   4.491
  859   HG21  ILE 115          HG21      ILE 115   0.678   7.515   5.977
  860   HG22  ILE 115          HG22      ILE 115  -0.390   8.867   5.453
  861   HG23  ILE 115          HG23      ILE 115  -0.537   7.284   4.692
  862   HD11  ILE 115          HD13      ILE 115   1.914   9.584   6.598
  863   HD12  ILE 115          HD11      ILE 115   3.366   8.938   5.790
  864   HD13  ILE 115          HD12      ILE 115   3.110  10.687   5.896
  865    H    GLN 116           H        GLN 116   0.309   6.223   2.164
  866    HA   GLN 116           HA       GLN 116  -0.683   4.208   3.930
  867    HB2  GLN 116           HB2      GLN 116  -1.045   4.781   0.963
  868    HB3  GLN 116           HB3      GLN 116  -1.877   3.450   1.765
  869    HG2  GLN 116           HG2      GLN 116  -2.062   6.365   2.612
  870    HG3  GLN 116           HG3      GLN 116  -3.231   5.554   1.578
  871   HE21  GLN 116          HE22      GLN 116  -3.248   6.752   4.497
  872   HE22  GLN 116          HE21      GLN 116  -4.039   5.503   5.420
  873    H    ALA 117           H        ALA 117   2.153   4.172   1.963
  874    HA   ALA 117           HA       ALA 117   2.221   1.248   1.906
  875    HB1  ALA 117           HB3      ALA 117   4.335   1.511   0.622
  876    HB2  ALA 117           HB1      ALA 117   3.023   2.409  -0.161
  877    HB3  ALA 117           HB2      ALA 117   4.237   3.266   0.803
  878    H    LEU 118           H        LEU 118   3.805   4.082   3.442
  879    HA   LEU 118           HA       LEU 118   5.612   2.325   4.844
  880    HB2  LEU 118           HB2      LEU 118   6.327   4.240   6.053
  881    HB3  LEU 118           HB3      LEU 118   6.255   4.493   4.297
  882    HG   LEU 118           HG       LEU 118   4.199   5.709   4.540
  883   HD11  LEU 118          HD11      LEU 118   3.642   6.820   6.649
  884   HD12  LEU 118          HD12      LEU 118   3.435   5.125   6.883
  885   HD13  LEU 118          HD13      LEU 118   4.900   5.891   7.505
  886   HD21  LEU 118          HD23      LEU 118   6.338   6.866   4.238
  887   HD22  LEU 118          HD21      LEU 118   5.369   7.782   5.402
  888   HD23  LEU 118          HD22      LEU 118   6.678   6.760   5.971
  889    H    SER 119           H        SER 119   2.456   3.573   5.469
  890    HA   SER 119           HA       SER 119   2.153   2.780   8.144
  891    HB2  SER 119           HB2      SER 119   0.055   2.633   5.938
  892    HB3  SER 119           HB3      SER 119  -0.269   2.610   7.682
  893    HG   SER 119           HG       SER 119   0.899   4.712   6.153
  894    H    GLU 120           H        GLU 120   2.564   0.627   5.388
  895    HA   GLU 120           HA       GLU 120   1.392  -1.700   6.602
  896    HB2  GLU 120           HB2      GLU 120   3.584  -1.467   4.526
  897    HB3  GLU 120           HB3      GLU 120   2.746  -2.951   4.939
  898    HG2  GLU 120           HG2      GLU 120   1.294  -0.498   3.888
  899    HG3  GLU 120           HG3      GLU 120   1.946  -1.741   2.830
  900    H    LEU 121           H        LEU 121   4.205   0.174   7.112
  901    HA   LEU 121           HA       LEU 121   5.574  -1.941   8.715
  902    HB2  LEU 121           HB2      LEU 121   6.645   0.747   7.761
  903    HB3  LEU 121           HB3      LEU 121   7.555  -0.518   8.570
  904    HG   LEU 121           HG       LEU 121   6.396  -0.512   5.758
  905   HD11  LEU 121          HD11      LEU 121   8.492   0.713   6.068
  906   HD12  LEU 121          HD12      LEU 121   9.247  -0.713   6.815
  907   HD13  LEU 121          HD13      LEU 121   8.768  -0.748   5.106
  908   HD21  LEU 121          HD23      LEU 121   6.149  -2.844   6.650
  909   HD22  LEU 121          HD21      LEU 121   7.393  -2.758   5.404
  910   HD23  LEU 121          HD22      LEU 121   7.868  -2.848   7.103
  911    H    LEU 122           H        LEU 122   4.973   1.638   8.893
  912    HA   LEU 122           HA       LEU 122   5.424   1.911  11.628
  913    HB2  LEU 122           HB2      LEU 122   3.743   3.451   9.601
  914    HB3  LEU 122           HB3      LEU 122   3.716   3.906  11.271
  915    HG   LEU 122           HG       LEU 122   5.224   5.340  10.161
  916   HD11  LEU 122          HD11      LEU 122   7.041   3.387  11.634
  917   HD12  LEU 122          HD12      LEU 122   7.242   5.133  11.445
  918   HD13  LEU 122          HD13      LEU 122   5.917   4.497  12.437
  919   HD21  LEU 122          HD23      LEU 122   7.144   4.665   8.911
  920   HD22  LEU 122          HD21      LEU 122   6.862   2.946   9.251
  921   HD23  LEU 122          HD22      LEU 122   5.736   3.875   8.237
  922    H    CYS 123           H        CYS 123   2.444   0.679  10.174
  923    HA   CYS 123           HA       CYS 123   1.164   0.912  12.849
  924    HB2  CYS 123           HB2      CYS 123  -0.187   0.518  10.150
  925    HB3  CYS 123           HB3      CYS 123  -0.970   0.837  11.699
  926    HG   CYS 123           HG       CYS 123   0.111   3.180  12.119
  927    H    GLU 124           H        GLU 124   3.122  -1.108  12.078
  928    HA   GLU 124           HA       GLU 124   1.500  -3.490  12.744
  929    HB2  GLU 124           HB2      GLU 124   3.539  -3.258  10.520
  930    HB3  GLU 124           HB3      GLU 124   3.236  -4.799  11.326
  931    HG2  GLU 124           HG2      GLU 124   0.976  -3.186  10.112
  932    HG3  GLU 124           HG3      GLU 124   1.945  -4.311   9.166
  933    H    GLU 125           H        GLU 125   1.994  -3.484  14.814
  934    HA   GLU 125           HA       GLU 125   4.399  -2.692  15.982
  935    HB2  GLU 125           HB2      GLU 125   3.630  -3.768  18.006
  936    HB3  GLU 125           HB3      GLU 125   2.306  -2.929  17.198
  937    HG2  GLU 125           HG2      GLU 125   1.525  -5.131  16.263
  938    HG3  GLU 125           HG3      GLU 125   2.812  -5.940  17.156
  939    H    GLU 126           H        GLU 126   3.663  -5.765  14.463
  940    HA   GLU 126           HA       GLU 126   5.812  -7.274  15.566
  941    HB2  GLU 126           HB2      GLU 126   4.497  -7.574  12.829
  942    HB3  GLU 126           HB3      GLU 126   5.491  -8.781  13.661
  943    HG2  GLU 126           HG2      GLU 126   3.789  -8.733  15.551
  944    HG3  GLU 126           HG3      GLU 126   2.779  -7.709  14.520
  945    H    ILE 127           H        ILE 127   5.502  -5.201  12.695
  946    HA   ILE 127           HA       ILE 127   8.214  -5.540  11.756
  947    HB   ILE 127           HB       ILE 127   5.985  -3.640  11.137
  948   HG12  ILE 127          HG12      ILE 127   6.149  -4.533   8.913
  949   HG13  ILE 127          HG13      ILE 127   7.643  -5.396   9.293
  950   HG21  ILE 127          HG21      ILE 127   8.879  -3.336  10.369
  951   HG22  ILE 127          HG22      ILE 127   7.575  -2.688   9.365
  952   HG23  ILE 127          HG23      ILE 127   7.760  -2.120  11.024
  953   HD11  ILE 127          HD13      ILE 127   5.664  -6.869   9.051
  954   HD12  ILE 127          HD11      ILE 127   6.432  -7.016  10.636
  955   HD13  ILE 127          HD12      ILE 127   4.921  -6.087  10.456
  956    H    LEU 128           H        LEU 128   6.488  -3.103  13.782
  957    HA   LEU 128           HA       LEU 128   8.590  -1.349  14.099
  958    HB2  LEU 128           HB2      LEU 128   6.581  -2.082  16.261
  959    HB3  LEU 128           HB3      LEU 128   7.629  -0.675  16.271
  960    HG   LEU 128           HG       LEU 128   5.353  -1.215  14.333
  961   HD11  LEU 128          HD11      LEU 128   4.378   0.786  15.313
  962   HD12  LEU 128          HD12      LEU 128   4.705  -0.419  16.567
  963   HD13  LEU 128          HD13      LEU 128   5.784   0.972  16.380
  964   HD21  LEU 128          HD23      LEU 128   5.921   1.134  13.513
  965   HD22  LEU 128          HD21      LEU 128   7.534   0.880  14.210
  966   HD23  LEU 128          HD22      LEU 128   6.932  -0.190  12.929
  967    H    GLU 129           H        GLU 129   8.083  -4.275  16.075
  968    HA   GLU 129           HA       GLU 129  10.315  -3.739  17.766
  969    HB2  GLU 129           HB2      GLU 129   8.538  -6.104  17.273
  970    HB3  GLU 129           HB3      GLU 129  10.140  -6.419  17.967
  971    HG2  GLU 129           HG2      GLU 129   9.768  -4.805  19.752
  972    HG3  GLU 129           HG3      GLU 129   8.161  -4.418  19.114
  973    H    GLN 130           H        GLN 130  10.004  -5.380  14.590
  974    HA   GLN 130           HA       GLN 130  12.607  -6.595  14.782
  975    HB2  GLN 130           HB2      GLN 130  10.544  -6.228  12.589
  976    HB3  GLN 130           HB3      GLN 130  12.124  -6.994  12.289
  977    HG2  GLN 130           HG2      GLN 130  11.736  -8.700  13.917
  978    HG3  GLN 130           HG3      GLN 130  10.228  -7.949  14.453
  979   HE21  GLN 130          HE22      GLN 130   8.367  -8.069  13.126
  980   HE22  GLN 130          HE21      GLN 130   8.219  -9.275  11.855
  981    H    LEU 131           H        LEU 131  11.302  -3.514  13.540
  982    HA   LEU 131           HA       LEU 131  13.818  -2.582  12.411
  983    HB2  LEU 131           HB2      LEU 131  11.553  -0.985  13.666
  984    HB3  LEU 131           HB3      LEU 131  12.882  -0.330  12.731
  985    HG   LEU 131           HG       LEU 131  10.908  -2.350  11.538
  986   HD11  LEU 131          HD11      LEU 131   9.713  -0.433  12.545
  987   HD12  LEU 131          HD12      LEU 131  10.656   0.661  11.524
  988   HD13  LEU 131          HD13      LEU 131   9.550  -0.504  10.772
  989   HD21  LEU 131          HD23      LEU 131  11.553  -1.217   9.411
  990   HD22  LEU 131          HD21      LEU 131  12.715  -0.235  10.319
  991   HD23  LEU 131          HD22      LEU 131  12.927  -1.992  10.214
  992    H    LEU 132           H        LEU 132  12.077  -1.971  15.502
  993    HA   LEU 132           HA       LEU 132  14.076  -0.461  16.739
  994    HB2  LEU 132           HB2      LEU 132  11.931  -2.245  17.907
  995    HB3  LEU 132           HB3      LEU 132  12.937  -1.232  18.921
  996    HG   LEU 132           HG       LEU 132  11.304  -0.042  16.642
  997   HD11  LEU 132          HD11      LEU 132  10.513  -0.389  19.566
  998   HD12  LEU 132          HD12      LEU 132   9.615   0.539  18.343
  999   HD13  LEU 132          HD13      LEU 132   9.783  -1.214  18.168
 1000   HD21  LEU 132          HD23      LEU 132  13.123   1.367  17.481
 1001   HD22  LEU 132          HD21      LEU 132  11.546   2.029  17.917
 1002   HD23  LEU 132          HD22      LEU 132  12.513   1.184  19.145
 1003    H    THR 133           H        THR 133  14.318  -3.822  16.114
 1004    HA   THR 133           HA       THR 133  16.592  -4.047  17.998
 1005    HB   THR 133           HB       THR 133  16.027  -6.437  18.196
 1006    HG1  THR 133           HG1      THR 133  13.591  -5.781  16.915
 1007   HG21  THR 133          HG23      THR 133  14.090  -6.275  19.645
 1008   HG22  THR 133          HG21      THR 133  15.092  -4.831  19.874
 1009   HG23  THR 133          HG22      THR 133  13.587  -4.740  18.929
 1010    H    ALA 134           H        ALA 134  16.139  -3.357  14.909
 1011    HA   ALA 134           HA       ALA 134  17.299  -5.377  13.342
 1012    HB1  ALA 134           HB3      ALA 134  17.764  -3.615  11.730
 1013    HB2  ALA 134           HB1      ALA 134  16.133  -3.429  12.417
 1014    HB3  ALA 134           HB2      ALA 134  17.463  -2.378  12.957
 1015    H    SER 135           H        SER 135  19.227  -6.303  13.464
 1016    HA   SER 135           HA       SER 135  21.354  -5.284  15.056
 1017    HB2  SER 135           HB2      SER 135  22.486  -7.344  13.864
 1018    HB3  SER 135           HB3      SER 135  21.158  -7.597  15.007
 1019    HG   SER 135           HG       SER 135  20.882  -8.789  13.070
 1020    H    SER 136           H        SER 136  20.443  -4.630  11.759
 1021    HA   SER 136           HA       SER 136  22.969  -3.225  11.251
 1022    HB2  SER 136           HB2      SER 136  23.409  -4.579   9.197
 1023    HB3  SER 136           HB3      SER 136  23.533  -5.543  10.673
 1024    HG   SER 136           HG       SER 136  22.317  -6.714   9.270
 1025    H    GLU 137           H        GLU 137  22.916  -2.077   9.168
 1026    HA   GLU 137           HA       GLU 137  20.390  -0.901   8.461
 1027    HB2  GLU 137           HB2      GLU 137  23.075  -1.037   7.015
 1028    HB3  GLU 137           HB3      GLU 137  21.705  -0.022   6.487
 1029    HG2  GLU 137           HG2      GLU 137  21.691   1.236   8.429
 1030    HG3  GLU 137           HG3      GLU 137  22.873   0.213   9.258
 1031    H    LYS 138           H        LYS 138  22.225  -3.739   7.295
 1032    HA   LYS 138           HA       LYS 138  20.593  -4.283   5.058
 1033    HB2  LYS 138           HB2      LYS 138  22.793  -5.346   5.434
 1034    HB3  LYS 138           HB3      LYS 138  22.158  -6.192   6.843
 1035    HG2  LYS 138           HG2      LYS 138  22.327  -7.687   4.947
 1036    HG3  LYS 138           HG3      LYS 138  20.641  -7.507   5.423
 1037    HD2  LYS 138           HD2      LYS 138  20.268  -5.920   3.548
 1038    HD3  LYS 138           HD3      LYS 138  21.965  -6.056   3.075
 1039    HE2  LYS 138           HE2      LYS 138  19.956  -8.359   3.162
 1040    HE3  LYS 138           HE3      LYS 138  20.349  -7.430   1.715
 1041    HZ1  LYS 138           HZ3      LYS 138  22.637  -8.212   1.897
 1042    HZ2  LYS 138           HZ1      LYS 138  22.275  -9.099   3.224
 1043    HZ3  LYS 138           HZ2      LYS 138  21.608  -9.466   1.786
 1044    H    GLN 139           H        GLN 139  20.055  -5.136   8.562
 1045    HA   GLN 139           HA       GLN 139  17.799  -6.716   7.921
 1046    HB2  GLN 139           HB2      GLN 139  19.258  -7.141   9.789
 1047    HB3  GLN 139           HB3      GLN 139  19.048  -5.500  10.407
 1048    HG2  GLN 139           HG2      GLN 139  17.824  -7.015  11.710
 1049    HG3  GLN 139           HG3      GLN 139  16.749  -5.903  10.852
 1050   HE21  GLN 139          HE22      GLN 139  15.383  -6.782   9.117
 1051   HE22  GLN 139          HE21      GLN 139  15.153  -8.486   8.852
 1052    H    LEU 140           H        LEU 140  18.321  -3.188   8.520
 1053    HA   LEU 140           HA       LEU 140  15.497  -2.610   8.882
 1054    HB2  LEU 140           HB2      LEU 140  17.917  -1.007   8.053
 1055    HB3  LEU 140           HB3      LEU 140  16.313  -0.321   7.957
 1056    HG   LEU 140           HG       LEU 140  17.552  -1.369  10.505
 1057   HD11  LEU 140          HD11      LEU 140  17.191   1.512   9.576
 1058   HD12  LEU 140          HD12      LEU 140  17.930   0.966  11.087
 1059   HD13  LEU 140          HD13      LEU 140  18.721   0.625   9.550
 1060   HD21  LEU 140          HD23      LEU 140  15.801  -0.150  11.694
 1061   HD22  LEU 140          HD21      LEU 140  15.011   0.221  10.149
 1062   HD23  LEU 140          HD22      LEU 140  15.165  -1.465  10.719
 1063    H    ALA 141           H        ALA 141  17.752  -2.515   6.075
 1064    HA   ALA 141           HA       ALA 141  15.911  -2.123   4.023
 1065    HB1  ALA 141           HB3      ALA 141  18.404  -3.866   3.855
 1066    HB2  ALA 141           HB1      ALA 141  17.618  -2.972   2.544
 1067    HB3  ALA 141           HB2      ALA 141  18.442  -2.094   3.851
 1068    H    ASP 142           H        ASP 142  16.743  -5.253   5.588
 1069    HA   ASP 142           HA       ASP 142  15.304  -6.910   3.816
 1070    HB2  ASP 142           HB2      ASP 142  16.751  -7.937   5.407
 1071    HB3  ASP 142           HB3      ASP 142  15.964  -7.123   6.754
 1072    H    ILE 143           H        ILE 143  14.164  -5.060   6.709
 1073    HA   ILE 143           HA       ILE 143  11.506  -6.095   6.595
 1074    HB   ILE 143           HB       ILE 143  12.866  -3.745   7.951
 1075   HG12  ILE 143          HG12      ILE 143  11.735  -6.357   9.083
 1076   HG13  ILE 143          HG13      ILE 143  13.419  -6.150   8.626
 1077   HG21  ILE 143          HG21      ILE 143  10.841  -3.539   9.346
 1078   HG22  ILE 143          HG22      ILE 143  10.552  -3.111   7.661
 1079   HG23  ILE 143          HG23      ILE 143  10.001  -4.691   8.279
 1080   HD11  ILE 143          HD13      ILE 143  13.381  -5.849  10.942
 1081   HD12  ILE 143          HD11      ILE 143  13.553  -4.222  10.283
 1082   HD13  ILE 143          HD12      ILE 143  11.968  -4.782  10.903
 1083    H    ILE 144           H        ILE 144  13.134  -3.253   5.166
 1084    HA   ILE 144           HA       ILE 144  10.805  -2.159   3.887
 1085    HB   ILE 144           HB       ILE 144  13.739  -2.162   3.031
 1086   HG12  ILE 144          HG12      ILE 144  13.480  -0.860   5.010
 1087   HG13  ILE 144          HG13      ILE 144  13.638   0.252   3.656
 1088   HG21  ILE 144          HG21      ILE 144  12.530  -1.892   0.979
 1089   HG22  ILE 144          HG22      ILE 144  11.448  -0.687   1.694
 1090   HG23  ILE 144          HG23      ILE 144  13.170  -0.323   1.457
 1091   HD11  ILE 144          HD13      ILE 144  11.896   1.148   4.953
 1092   HD12  ILE 144          HD11      ILE 144  11.048   0.320   3.631
 1093   HD13  ILE 144          HD12      ILE 144  11.167  -0.438   5.239
 1094    H    SER 145           H        SER 145  13.155  -4.582   2.765
 1095    HA   SER 145           HA       SER 145  11.989  -4.861   0.243
 1096    HB2  SER 145           HB2      SER 145  13.638  -6.921   1.780
 1097    HB3  SER 145           HB3      SER 145  13.386  -6.887   0.026
 1098    HG   SER 145           HG       SER 145  14.744  -4.975   1.645
 1099    H    ARG 146           H        ARG 146  11.187  -6.458   3.300
 1100    HA   ARG 146           HA       ARG 146   9.573  -8.538   2.452
 1101    HB2  ARG 146           HB2      ARG 146  10.431  -7.401   4.831
 1102    HB3  ARG 146           HB3      ARG 146   8.732  -6.936   4.854
 1103    HG2  ARG 146           HG2      ARG 146   8.116  -9.318   4.510
 1104    HG3  ARG 146           HG3      ARG 146   9.847  -9.740   4.471
 1105    HD2  ARG 146           HD2      ARG 146   8.520  -8.311   6.812
 1106    HD3  ARG 146           HD3      ARG 146   8.633 -10.082   6.699
 1107    HE   ARG 146           HE       ARG 146  11.228  -8.920   6.332
 1108   HH11  ARG 146          HH11      ARG 146   8.833  -9.648   8.851
 1109   HH12  ARG 146          HH12      ARG 146  10.020  -9.745  10.123
 1110   HH21  ARG 146          HH21      ARG 146  12.792  -9.089   8.037
 1111   HH22  ARG 146          HH22      ARG 146  12.254  -9.428   9.658
 1112    H    GLY 147           H        GLY 147   8.893  -5.092   2.358
 1113    HA2  GLY 147           HA2      GLY 147   5.971  -5.405   2.420
 1114    HA3  GLY 147           HA3      GLY 147   6.909  -3.907   2.278
  Start of MODEL   14
    1    H    MET   1           H1       MET   1   1.998  -0.880  -0.593
    2    HA   MET   1           HA       MET   1   2.364  -1.249  -3.494
    3    HB2  MET   1           HB2      MET   1   2.233   1.228  -2.679
    4    HB3  MET   1           HB3      MET   1   3.763   0.877  -1.833
    5    HG2  MET   1           HG2      MET   1   3.899   2.000  -4.117
    6    HG3  MET   1           HG3      MET   1   4.961   0.641  -3.804
    7    HE1  MET   1           HE3      MET   1   4.610   1.813  -6.660
    8    HE2  MET   1           HE1      MET   1   5.609   0.389  -6.290
    9    HE3  MET   1           HE2      MET   1   4.440   0.332  -7.628
   10    H    ARG   2           H        ARG   2   4.628  -1.666  -4.087
   11    HA   ARG   2           HA       ARG   2   5.988  -3.381  -2.167
   12    HB2  ARG   2           HB2      ARG   2   6.799  -2.187  -4.870
   13    HB3  ARG   2           HB3      ARG   2   7.919  -3.088  -3.853
   14    HG2  ARG   2           HG2      ARG   2   7.170  -4.632  -5.436
   15    HG3  ARG   2           HG3      ARG   2   6.338  -5.060  -3.935
   16    HD2  ARG   2           HD2      ARG   2   4.280  -3.988  -4.751
   17    HD3  ARG   2           HD3      ARG   2   5.140  -3.409  -6.199
   18    HE   ARG   2           HE       ARG   2   5.356  -6.257  -5.952
   19   HH11  ARG   2          HH11      ARG   2   3.002  -3.761  -6.879
   20   HH12  ARG   2          HH12      ARG   2   2.095  -4.802  -7.910
   21   HH21  ARG   2          HH21      ARG   2   4.150  -7.640  -7.332
   22   HH22  ARG   2          HH22      ARG   2   2.766  -7.055  -8.170
   23    H    LEU   3           H        LEU   3   6.837  -2.485  -0.408
   24    HA   LEU   3           HA       LEU   3   7.095   0.277   0.095
   25    HB2  LEU   3           HB2      LEU   3   8.254  -2.227   1.320
   26    HB3  LEU   3           HB3      LEU   3   8.983  -0.700   1.770
   27    HG   LEU   3           HG       LEU   3   7.220  -1.571   3.319
   28   HD11  LEU   3          HD11      LEU   3   6.746   1.216   2.172
   29   HD12  LEU   3          HD12      LEU   3   6.337   0.624   3.796
   30   HD13  LEU   3          HD13      LEU   3   8.024   0.765   3.326
   31   HD21  LEU   3          HD23      LEU   3   5.543  -2.287   1.589
   32   HD22  LEU   3          HD21      LEU   3   4.879  -1.242   2.846
   33   HD23  LEU   3          HD22      LEU   3   5.223  -0.592   1.238
   34    H    SER   4           H        SER   4   9.588  -2.063  -0.930
   35    HA   SER   4           HA       SER   4  11.811  -0.522  -0.887
   36    HB2  SER   4           HB2      SER   4  11.398  -2.491  -3.128
   37    HB3  SER   4           HB3      SER   4  12.780  -2.308  -2.030
   38    HG   SER   4           HG       SER   4  11.448  -4.184  -1.682
   39    H    ASP   5           H        ASP   5   9.147  -0.059  -3.170
   40    HA   ASP   5           HA       ASP   5  10.635   1.089  -5.318
   41    HB2  ASP   5           HB2      ASP   5   8.280   0.367  -5.513
   42    HB3  ASP   5           HB3      ASP   5   7.797   1.632  -4.375
   43    H    TYR   6           H        TYR   6   9.570   2.328  -2.180
   44    HA   TYR   6           HA       TYR   6  10.010   5.121  -2.966
   45    HB2  TYR   6           HB2      TYR   6   9.117   3.845  -0.365
   46    HB3  TYR   6           HB3      TYR   6   9.289   5.578  -0.594
   47    HD1  TYR   6           HD2      TYR   6   7.820   6.901  -1.950
   48    HD2  TYR   6           HD1      TYR   6   7.111   2.666  -1.368
   49    HE1  TYR   6           HE2      TYR   6   5.570   7.140  -2.944
   50    HE2  TYR   6           HE1      TYR   6   4.833   2.946  -2.247
   51    HH   TYR   6           HH       TYR   6   3.597   6.055  -3.541
   52    H    PHE   7           H        PHE   7  11.997   2.630  -1.464
   53    HA   PHE   7           HA       PHE   7  13.667   4.687  -0.100
   54    HB2  PHE   7           HB2      PHE   7  13.725   1.662   0.187
   55    HB3  PHE   7           HB3      PHE   7  14.716   2.811   1.071
   56    HD1  PHE   7           HD1      PHE   7  11.167   1.864   0.423
   57    HD2  PHE   7           HD2      PHE   7  13.923   3.468   3.320
   58    HE1  PHE   7           HE1      PHE   7   9.297   2.227   1.982
   59    HE2  PHE   7           HE2      PHE   7  12.023   3.904   4.843
   60    HZ   PHE   7           HZ       PHE   7   9.713   3.309   4.186
   61    HA   PRO   8           HA       PRO   8  15.652   4.123  -4.151
   62    HB2  PRO   8           HB2      PRO   8  17.304   6.312  -4.208
   63    HB3  PRO   8           HB3      PRO   8  15.535   6.377  -4.429
   64    HG2  PRO   8           HG2      PRO   8  17.077   6.883  -1.855
   65    HG3  PRO   8           HG3      PRO   8  15.799   7.894  -2.594
   66    HD2  PRO   8           HD2      PRO   8  15.203   6.133  -0.643
   67    HD3  PRO   8           HD3      PRO   8  14.125   6.383  -2.042
   68    H    GLU   9           H        GLU   9  18.253   5.531  -2.197
   69    HA   GLU   9           HA       GLU   9  19.601   3.088  -1.610
   70    HB2  GLU   9           HB2      GLU   9  20.316   3.791  -4.079
   71    HB3  GLU   9           HB3      GLU   9  21.137   5.121  -3.241
   72    HG2  GLU   9           HG2      GLU   9  22.725   3.353  -3.664
   73    HG3  GLU   9           HG3      GLU   9  22.469   3.498  -1.931
   74    H    SER  10           H        SER  10  21.485   3.696  -0.247
   75    HA   SER  10           HA       SER  10  22.303   4.639   1.516
   76    HB2  SER  10           HB2      SER  10  21.628   7.408   0.504
   77    HB3  SER  10           HB3      SER  10  23.008   6.915   1.486
   78    HG   SER  10           HG       SER  10  23.812   5.798  -0.353
   79    H    SER  11           H        SER  11  19.109   4.729   0.956
   80    HA   SER  11           HA       SER  11  18.046   6.678   2.742
   81    HB2  SER  11           HB2      SER  11  15.922   5.354   1.908
   82    HB3  SER  11           HB3      SER  11  16.866   6.350   0.801
   83    HG   SER  11           HG       SER  11  16.912   3.516   1.032
   84    H    ILE  12           H        ILE  12  19.581   3.898   3.654
   85    HA   ILE  12           HA       ILE  12  17.679   3.336   5.844
   86    HB   ILE  12           HB       ILE  12  19.172   1.407   4.036
   87   HG12  ILE  12          HG12      ILE  12  16.270   2.300   4.314
   88   HG13  ILE  12          HG13      ILE  12  17.262   2.205   2.860
   89   HG21  ILE  12          HG21      ILE  12  18.152  -0.314   5.479
   90   HG22  ILE  12          HG22      ILE  12  19.171   0.761   6.414
   91   HG23  ILE  12          HG23      ILE  12  17.411   0.975   6.474
   92   HD11  ILE  12          HD13      ILE  12  17.175  -0.267   3.019
   93   HD12  ILE  12          HD11      ILE  12  16.054  -0.070   4.409
   94   HD13  ILE  12          HD12      ILE  12  15.594   0.512   2.797
   95    H    SER  13           H        SER  13  18.825   3.504   7.822
   96    HA   SER  13           HA       SER  13  21.735   3.040   7.902
   97    HB2  SER  13           HB2      SER  13  20.455   5.745   8.508
   98    HB3  SER  13           HB3      SER  13  22.115   5.295   8.937
   99    HG   SER  13           HG       SER  13  21.528   4.780   6.325
  100    H    VAL  14           H        VAL  14  22.504   2.632   9.912
  101    HA   VAL  14           HA       VAL  14  20.636   2.733  12.233
  102    HB   VAL  14           HB       VAL  14  22.877   0.766  11.653
  103   HG11  VAL  14          HG11      VAL  14  21.051   0.993  14.098
  104   HG12  VAL  14          HG12      VAL  14  22.132  -0.379  13.767
  105   HG13  VAL  14          HG13      VAL  14  22.814   1.216  14.068
  106   HG21  VAL  14          HG23      VAL  14  21.082  -0.967  11.733
  107   HG22  VAL  14          HG21      VAL  14  19.870   0.311  11.904
  108   HG23  VAL  14          HG22      VAL  14  20.834   0.180  10.413
  109    H    ILE  15           H        ILE  15  21.516   3.705  14.025
  110    HA   ILE  15           HA       ILE  15  24.199   4.968  13.887
  111    HB   ILE  15           HB       ILE  15  21.408   6.155  14.045
  112   HG12  ILE  15          HG12      ILE  15  23.907   6.644  12.408
  113   HG13  ILE  15          HG13      ILE  15  22.299   6.156  11.871
  114   HG21  ILE  15          HG21      ILE  15  22.411   6.994  16.028
  115   HG22  ILE  15          HG22      ILE  15  23.858   7.562  15.128
  116   HG23  ILE  15          HG23      ILE  15  22.243   8.282  14.883
  117   HD11  ILE  15          HD13      ILE  15  22.676   8.467  11.254
  118   HD12  ILE  15          HD11      ILE  15  21.461   8.455  12.553
  119   HD13  ILE  15          HD12      ILE  15  23.146   8.905  12.908
  120    H    HIS  16           H        HIS  16  25.113   5.267  16.012
  121    HA   HIS  16           HA       HIS  16  23.944   3.616  18.103
  122    HB2  HIS  16           HB2      HIS  16  26.413   3.989  17.822
  123    HB3  HIS  16           HB3      HIS  16  26.187   5.660  18.354
  124    HD1  HIS  16           HD1      HIS  16  25.373   2.095  19.714
  125    HD2  HIS  16           HD2      HIS  16  26.357   6.004  20.967
  126    HE1  HIS  16           HE1      HIS  16  25.667   1.992  22.249
  127    H    SER  17           H        SER  17  24.243   7.162  17.473
  128    HA   SER  17           HA       SER  17  21.822   7.736  18.908
  129    HB2  SER  17           HB2      SER  17  23.110   9.470  20.367
  130    HB3  SER  17           HB3      SER  17  23.010   7.799  20.923
  131    HG   SER  17           HG       SER  17  25.242   8.994  19.642
  132    H    ALA  18           H        ALA  18  21.109   9.809  18.219
  133    HA   ALA  18           HA       ALA  18  22.623  11.029  15.985
  134    HB1  ALA  18           HB3      ALA  18  20.709  12.612  15.881
  135    HB2  ALA  18           HB1      ALA  18  20.199  10.933  15.703
  136    HB3  ALA  18           HB2      ALA  18  19.959  11.786  17.258
  137    H    LYS  19           H        LYS  19  23.340  13.213  16.143
  138    HA   LYS  19           HA       LYS  19  24.717  13.936  18.483
  139    HB2  LYS  19           HB2      LYS  19  25.063  14.601  16.059
  140    HB3  LYS  19           HB3      LYS  19  23.753  15.729  16.229
  141    HG2  LYS  19           HG2      LYS  19  26.329  15.812  17.856
  142    HG3  LYS  19           HG3      LYS  19  26.058  16.691  16.357
  143    HD2  LYS  19           HD2      LYS  19  24.684  17.185  19.003
  144    HD3  LYS  19           HD3      LYS  19  25.838  18.215  18.186
  145    HE2  LYS  19           HE2      LYS  19  23.055  17.520  17.166
  146    HE3  LYS  19           HE3      LYS  19  23.505  19.022  17.975
  147    HZ1  LYS  19           HZ3      LYS  19  24.417  18.104  15.302
  148    HZ2  LYS  19           HZ1      LYS  19  23.471  19.381  15.654
  149    HZ3  LYS  19           HZ2      LYS  19  25.046  19.423  16.082
  150    H    ASP  20           H        ASP  20  21.542  15.013  17.265
  151    HA   ASP  20           HA       ASP  20  20.407  15.168  19.853
  152    HB2  ASP  20           HB2      ASP  20  19.840  17.384  20.082
  153    HB3  ASP  20           HB3      ASP  20  21.561  17.494  19.680
  154    H    TRP  21           H        TRP  21  18.023  16.325  19.374
  155    HA   TRP  21           HA       TRP  21  16.844  14.703  17.412
  156    HB2  TRP  21           HB2      TRP  21  14.770  15.969  17.927
  157    HB3  TRP  21           HB3      TRP  21  15.592  15.295  19.327
  158    HD1  TRP  21           HD1      TRP  21  16.519  16.956  21.138
  159    HE1  TRP  21           HE1      TRP  21  16.357  19.465  21.533
  160    HE3  TRP  21           HE3      TRP  21  14.379  18.322  16.684
  161    HZ2  TRP  21           HZ2      TRP  21  15.520  21.817  20.051
  162    HZ3  TRP  21           HZ3      TRP  21  13.912  20.716  16.208
  163    HH2  TRP  21           HH2      TRP  21  14.537  22.458  17.866
  164    H    GLN  22           H        GLN  22  17.999  18.114  17.116
  165    HA   GLN  22           HA       GLN  22  16.743  18.730  14.568
  166    HB2  GLN  22           HB2      GLN  22  19.404  19.620  15.697
  167    HB3  GLN  22           HB3      GLN  22  18.617  20.265  14.269
  168    HG2  GLN  22           HG2      GLN  22  16.782  21.160  15.525
  169    HG3  GLN  22           HG3      GLN  22  17.234  20.263  16.976
  170   HE21  GLN  22          HE22      GLN  22  19.345  20.725  17.960
  171   HE22  GLN  22          HE21      GLN  22  19.914  22.402  17.976
  172    H    GLU  23           H        GLU  23  19.944  17.246  15.489
  173    HA   GLU  23           HA       GLU  23  20.716  16.565  12.865
  174    HB2  GLU  23           HB2      GLU  23  21.971  16.458  15.195
  175    HB3  GLU  23           HB3      GLU  23  21.365  14.797  15.226
  176    HG2  GLU  23           HG2      GLU  23  23.473  14.554  14.218
  177    HG3  GLU  23           HG3      GLU  23  22.405  14.586  12.837
  178    H    ALA  24           H        ALA  24  18.668  14.803  15.175
  179    HA   ALA  24           HA       ALA  24  18.602  12.351  13.726
  180    HB1  ALA  24           HB3      ALA  24  16.798  11.757  15.220
  181    HB2  ALA  24           HB1      ALA  24  18.014  12.701  16.113
  182    HB3  ALA  24           HB2      ALA  24  16.493  13.463  15.614
  183    H    ILE  25           H        ILE  25  16.684  15.359  13.389
  184    HA   ILE  25           HA       ILE  25  14.869  14.261  11.409
  185    HB   ILE  25           HB       ILE  25  15.802  17.142  11.621
  186   HG12  ILE  25          HG12      ILE  25  14.334  15.728  13.638
  187   HG13  ILE  25          HG13      ILE  25  14.821  17.414  13.567
  188   HG21  ILE  25          HG21      ILE  25  13.263  15.952  10.436
  189   HG22  ILE  25          HG22      ILE  25  13.751  17.667  10.424
  190   HG23  ILE  25          HG23      ILE  25  14.667  16.491   9.521
  191   HD11  ILE  25          HD13      ILE  25  12.451  17.209  13.984
  192   HD12  ILE  25          HD11      ILE  25  12.692  17.944  12.391
  193   HD13  ILE  25          HD12      ILE  25  12.243  16.217  12.526
  194    H    ASP  26           H        ASP  26  18.013  16.065  11.272
  195    HA   ASP  26           HA       ASP  26  18.236  16.112   8.459
  196    HB2  ASP  26           HB2      ASP  26  19.735  17.388   9.916
  197    HB3  ASP  26           HB3      ASP  26  20.481  15.901  10.498
  198    H    PHE  27           H        PHE  27  19.391  13.585  10.755
  199    HA   PHE  27           HA       PHE  27  20.274  11.802   8.729
  200    HB2  PHE  27           HB2      PHE  27  19.557  11.496  11.658
  201    HB3  PHE  27           HB3      PHE  27  19.922  10.092  10.672
  202    HD1  PHE  27           HD2      PHE  27  22.083  10.455   9.054
  203    HD2  PHE  27           HD1      PHE  27  21.524  12.278  12.956
  204    HE1  PHE  27           HE2      PHE  27  24.531  10.661   9.328
  205    HE2  PHE  27           HE1      PHE  27  23.960  12.415  13.213
  206    HZ   PHE  27           HZ       PHE  27  25.478  11.632  11.414
  207    H    SER  28           H        SER  28  16.952  12.420   9.940
  208    HA   SER  28           HA       SER  28  15.852  10.016   8.737
  209    HB2  SER  28           HB2      SER  28  14.435  12.646   9.447
  210    HB3  SER  28           HB3      SER  28  13.666  11.126   9.055
  211    HG   SER  28           HG       SER  28  15.435  11.601  11.245
  212    H    MET  29           H        MET  29  16.918  13.124   7.450
  213    HA   MET  29           HA       MET  29  15.334  12.644   4.962
  214    HB2  MET  29           HB2      MET  29  16.512  15.203   6.023
  215    HB3  MET  29           HB3      MET  29  15.278  14.995   4.770
  216    HG2  MET  29           HG2      MET  29  14.563  14.194   7.565
  217    HG3  MET  29           HG3      MET  29  14.728  15.896   7.168
  218    HE1  MET  29           HE3      MET  29  12.565  12.877   7.194
  219    HE2  MET  29           HE1      MET  29  11.511  13.031   5.764
  220    HE3  MET  29           HE2      MET  29  13.250  12.663   5.552
  221    H    VAL  30           H        VAL  30  18.683  13.055   6.061
  222    HA   VAL  30           HA       VAL  30  19.681  14.469   3.966
  223    HB   VAL  30           HB       VAL  30  20.927  13.995   5.986
  224   HG11  VAL  30          HG11      VAL  30  20.369  11.580   6.298
  225   HG12  VAL  30          HG12      VAL  30  21.433  11.176   4.933
  226   HG13  VAL  30          HG13      VAL  30  22.104  11.902   6.405
  227   HG21  VAL  30          HG23      VAL  30  22.144  14.732   3.961
  228   HG22  VAL  30          HG21      VAL  30  23.151  13.750   5.042
  229   HG23  VAL  30          HG22      VAL  30  22.488  13.041   3.553
  230    H    SER  31           H        SER  31  19.181  10.892   3.914
  231    HA   SER  31           HA       SER  31  20.534  10.484   1.495
  232    HB2  SER  31           HB2      SER  31  18.120   8.923   2.464
  233    HB3  SER  31           HB3      SER  31  19.518   8.327   1.548
  234    HG   SER  31           HG       SER  31  20.172   7.817   3.506
  235    H    LEU  32           H        LEU  32  17.327  11.782   2.123
  236    HA   LEU  32           HA       LEU  32  16.407  11.547  -0.657
  237    HB2  LEU  32           HB2      LEU  32  15.297  12.978   1.803
  238    HB3  LEU  32           HB3      LEU  32  14.523  13.035   0.245
  239    HG   LEU  32           HG       LEU  32  15.072  10.463   1.773
  240   HD11  LEU  32          HD11      LEU  32  12.675  10.453   2.309
  241   HD12  LEU  32          HD12      LEU  32  13.479  11.876   2.990
  242   HD13  LEU  32          HD13      LEU  32  12.482  12.037   1.530
  243   HD21  LEU  32          HD23      LEU  32  13.492   9.433   0.210
  244   HD22  LEU  32          HD21      LEU  32  13.308  10.965  -0.664
  245   HD23  LEU  32          HD22      LEU  32  14.855  10.081  -0.673
  246    H    LEU  33           H        LEU  33  17.690  14.047   1.586
  247    HA   LEU  33           HA       LEU  33  17.540  16.255  -0.095
  248    HB2  LEU  33           HB2      LEU  33  18.116  16.214   2.323
  249    HB3  LEU  33           HB3      LEU  33  19.704  15.599   1.948
  250    HG   LEU  33           HG       LEU  33  19.582  17.986   2.516
  251   HD11  LEU  33          HD11      LEU  33  21.481  17.042   1.183
  252   HD12  LEU  33          HD12      LEU  33  20.706  17.690  -0.281
  253   HD13  LEU  33          HD13      LEU  33  21.215  18.783   1.007
  254   HD21  LEU  33          HD23      LEU  33  18.277  18.387  -0.209
  255   HD22  LEU  33          HD21      LEU  33  17.478  18.585   1.370
  256   HD23  LEU  33          HD22      LEU  33  18.812  19.651   0.906
  257    H    ASP  34           H        ASP  34  20.230  14.003   0.392
  258    HA   ASP  34           HA       ASP  34  22.116  15.005  -1.363
  259    HB2  ASP  34           HB2      ASP  34  22.559  13.211   0.327
  260    HB3  ASP  34           HB3      ASP  34  21.435  12.134  -0.518
  261    H    LYS  35           H        LYS  35  19.339  13.130  -2.165
  262    HA   LYS  35           HA       LYS  35  20.344  12.828  -4.976
  263    HB2  LYS  35           HB2      LYS  35  18.380  11.105  -3.511
  264    HB3  LYS  35           HB3      LYS  35  19.004  10.894  -5.172
  265    HG2  LYS  35           HG2      LYS  35  21.361  10.944  -4.049
  266    HG3  LYS  35           HG3      LYS  35  20.479  10.768  -2.512
  267    HD2  LYS  35           HD2      LYS  35  19.289   8.840  -3.985
  268    HD3  LYS  35           HD3      LYS  35  20.895   8.883  -4.746
  269    HE2  LYS  35           HE2      LYS  35  20.265   8.673  -1.762
  270    HE3  LYS  35           HE3      LYS  35  20.635   7.266  -2.764
  271    HZ1  LYS  35           HZ3      LYS  35  22.842   8.252  -3.197
  272    HZ2  LYS  35           HZ1      LYS  35  22.534   9.488  -2.162
  273    HZ3  LYS  35           HZ2      LYS  35  22.618   7.923  -1.620
  274    H    ASN  36           H        ASN  36  19.029  15.121  -3.581
  275    HA   ASN  36           HA       ASN  36  17.649  16.776  -4.211
  276    HB2  ASN  36           HB2      ASN  36  18.947  16.215  -6.384
  277    HB3  ASN  36           HB3      ASN  36  17.465  15.449  -6.958
  278   HD21  ASN  36          HD22      ASN  36  18.540  18.409  -5.345
  279   HD22  ASN  36          HD21      ASN  36  17.553  19.533  -6.271
  280    H    TYR  37           H        TYR  37  16.307  14.208  -3.179
  281    HA   TYR  37           HA       TYR  37  13.678  14.257  -4.443
  282    HB2  TYR  37           HB2      TYR  37  14.727  13.012  -1.892
  283    HB3  TYR  37           HB3      TYR  37  13.050  12.918  -2.380
  284    HD1  TYR  37           HD1      TYR  37  12.357  11.652  -4.358
  285    HD2  TYR  37           HD2      TYR  37  16.411  11.455  -2.888
  286    HE1  TYR  37           HE1      TYR  37  12.799   9.751  -5.866
  287    HE2  TYR  37           HE2      TYR  37  16.845   9.543  -4.383
  288    HH   TYR  37           HH       TYR  37  14.386   8.228  -6.638
  289    H    ILE  38           H        ILE  38  15.318  16.152  -2.038
  290    HA   ILE  38           HA       ILE  38  12.932  17.815  -1.601
  291    HB   ILE  38           HB       ILE  38  13.399  17.874   0.849
  292   HG12  ILE  38          HG12      ILE  38  15.234  15.513   0.288
  293   HG13  ILE  38          HG13      ILE  38  15.752  17.144   0.729
  294   HG21  ILE  38          HG21      ILE  38  12.288  15.791   1.461
  295   HG22  ILE  38          HG22      ILE  38  11.579  16.432  -0.001
  296   HG23  ILE  38          HG23      ILE  38  12.719  15.067  -0.090
  297   HD11  ILE  38          HD13      ILE  38  15.940  15.710   2.600
  298   HD12  ILE  38          HD11      ILE  38  14.664  16.905   2.923
  299   HD13  ILE  38          HD12      ILE  38  14.243  15.217   2.511
  300    H    SER  39           H        SER  39  13.715  19.762  -0.219
  301    HA   SER  39           HA       SER  39  16.382  20.752  -1.131
  302    HB2  SER  39           HB2      SER  39  13.980  22.413  -0.291
  303    HB3  SER  39           HB3      SER  39  15.391  22.924  -1.232
  304    HG   SER  39           HG       SER  39  13.288  21.169  -2.026
  305    H    GLU  40           H        GLU  40  17.450  22.224   0.563
  306    HA   GLU  40           HA       GLU  40  17.598  20.928   3.057
  307    HB2  GLU  40           HB2      GLU  40  18.408  23.761   2.284
  308    HB3  GLU  40           HB3      GLU  40  18.863  22.961   3.797
  309    HG2  GLU  40           HG2      GLU  40  20.004  21.167   2.512
  310    HG3  GLU  40           HG3      GLU  40  19.596  21.989   1.003
  311    H    ASN  41           H        ASN  41  15.678  23.771   2.141
  312    HA   ASN  41           HA       ASN  41  14.698  24.428   4.719
  313    HB2  ASN  41           HB2      ASN  41  12.780  25.490   3.423
  314    HB3  ASN  41           HB3      ASN  41  14.404  26.052   3.069
  315   HD21  ASN  41          HD22      ASN  41  11.659  24.118   1.718
  316   HD22  ASN  41          HD21      ASN  41  12.260  24.251   0.083
  317    H    TYR  42           H        TYR  42  13.849  21.658   2.714
  318    HA   TYR  42           HA       TYR  42  11.236  21.191   3.862
  319    HB2  TYR  42           HB2      TYR  42  12.130  20.148   1.752
  320    HB3  TYR  42           HB3      TYR  42  13.256  19.221   2.734
  321    HD1  TYR  42           HD2      TYR  42   9.683  19.656   1.853
  322    HD2  TYR  42           HD1      TYR  42  12.573  17.274   3.994
  323    HE1  TYR  42           HE2      TYR  42   8.044  17.802   2.003
  324    HE2  TYR  42           HE1      TYR  42  10.954  15.407   4.106
  325    HH   TYR  42           HH       TYR  42   8.892  14.593   3.372
  326    H    ILE  43           H        ILE  43  14.600  20.113   4.661
  327    HA   ILE  43           HA       ILE  43  13.885  18.521   6.911
  328    HB   ILE  43           HB       ILE  43  16.474  20.036   6.298
  329   HG12  ILE  43          HG12      ILE  43  17.049  17.379   5.950
  330   HG13  ILE  43          HG13      ILE  43  15.366  17.399   5.411
  331   HG21  ILE  43          HG21      ILE  43  17.558  18.540   7.881
  332   HG22  ILE  43          HG22      ILE  43  16.274  19.439   8.696
  333   HG23  ILE  43          HG23      ILE  43  16.011  17.742   8.240
  334   HD11  ILE  43          HD13      ILE  43  17.638  19.121   4.354
  335   HD12  ILE  43          HD11      ILE  43  16.966  17.683   3.578
  336   HD13  ILE  43          HD12      ILE  43  15.957  19.132   3.748
  337    H    GLN  44           H        GLN  44  14.895  22.001   6.648
  338    HA   GLN  44           HA       GLN  44  14.661  22.304   9.463
  339    HB2  GLN  44           HB2      GLN  44  16.035  23.721   7.743
  340    HB3  GLN  44           HB3      GLN  44  14.567  24.689   7.627
  341    HG2  GLN  44           HG2      GLN  44  16.073  25.674   9.281
  342    HG3  GLN  44           HG3      GLN  44  14.650  25.063  10.108
  343   HE21  GLN  44          HE22      GLN  44  15.322  24.262  12.138
  344   HE22  GLN  44          HE21      GLN  44  16.652  23.156  12.363
  345    H    ALA  45           H        ALA  45  12.166  22.580   6.971
  346    HA   ALA  45           HA       ALA  45  10.233  23.986   8.475
  347    HB1  ALA  45           HB3      ALA  45   9.931  23.330   6.088
  348    HB2  ALA  45           HB1      ALA  45   9.763  21.625   6.584
  349    HB3  ALA  45           HB2      ALA  45   8.564  22.812   7.097
  350    H    ILE  46           H        ILE  46  11.171  20.506   8.567
  351    HA   ILE  46           HA       ILE  46   9.056  19.782  10.396
  352    HB   ILE  46           HB       ILE  46  11.703  18.360   9.918
  353   HG12  ILE  46          HG12      ILE  46   9.120  17.747   8.462
  354   HG13  ILE  46          HG13      ILE  46  10.344  18.783   7.762
  355   HG21  ILE  46          HG21      ILE  46  10.361  17.664  11.922
  356   HG22  ILE  46          HG22      ILE  46   8.973  17.346  10.865
  357   HG23  ILE  46          HG23      ILE  46  10.452  16.380  10.720
  358   HD11  ILE  46          HD13      ILE  46  12.014  17.040   7.803
  359   HD12  ILE  46          HD11      ILE  46  10.890  15.897   8.546
  360   HD13  ILE  46          HD12      ILE  46  10.575  16.504   6.914
  361    H    LYS  47           H        LYS  47  12.575  20.571  10.714
  362    HA   LYS  47           HA       LYS  47  12.668  20.145  13.511
  363    HB2  LYS  47           HB2      LYS  47  14.217  22.043  11.714
  364    HB3  LYS  47           HB3      LYS  47  14.653  21.759  13.401
  365    HG2  LYS  47           HG2      LYS  47  15.304  19.493  12.967
  366    HG3  LYS  47           HG3      LYS  47  14.614  19.523  11.328
  367    HD2  LYS  47           HD2      LYS  47  16.179  21.205  10.624
  368    HD3  LYS  47           HD3      LYS  47  16.847  21.348  12.273
  369    HE2  LYS  47           HE2      LYS  47  17.853  19.192  12.122
  370    HE3  LYS  47           HE3      LYS  47  17.112  18.869  10.553
  371    HZ1  LYS  47           HZ3      LYS  47  19.407  19.640  10.305
  372    HZ2  LYS  47           HZ1      LYS  47  18.421  20.789   9.686
  373    HZ3  LYS  47           HZ2      LYS  47  19.111  21.002  11.141
  374    H    ASP  48           H        ASP  48  11.853  23.123  11.626
  375    HA   ASP  48           HA       ASP  48  11.539  24.868  13.835
  376    HB2  ASP  48           HB2      ASP  48  11.761  25.675  11.552
  377    HB3  ASP  48           HB3      ASP  48  10.262  24.870  11.080
  378    H    SER  49           H        SER  49   9.201  22.659  12.220
  379    HA   SER  49           HA       SER  49   6.939  23.388  13.824
  380    HB2  SER  49           HB2      SER  49   7.603  20.677  12.595
  381    HB3  SER  49           HB3      SER  49   6.011  21.264  13.097
  382    HG   SER  49           HG       SER  49   7.651  22.252  10.983
  383    H    THR  50           H        THR  50   9.592  21.024  14.278
  384    HA   THR  50           HA       THR  50   8.656  19.967  16.726
  385    HB   THR  50           HB       THR  50  11.522  20.100  15.730
  386    HG1  THR  50           HG1      THR  50  10.172  19.210  14.142
  387   HG21  THR  50          HG23      THR  50  10.085  18.094  17.516
  388   HG22  THR  50          HG21      THR  50  11.765  17.980  16.933
  389   HG23  THR  50          HG22      THR  50  11.310  19.282  18.037
  390    H    ILE  51           H        ILE  51  10.686  22.865  16.056
  391    HA   ILE  51           HA       ILE  51  11.162  23.548  18.802
  392    HB   ILE  51           HB       ILE  51  11.087  25.174  16.227
  393   HG12  ILE  51          HG12      ILE  51  13.418  24.400  18.021
  394   HG13  ILE  51          HG13      ILE  51  12.907  23.444  16.631
  395   HG21  ILE  51          HG21      ILE  51  11.920  26.176  18.982
  396   HG22  ILE  51          HG22      ILE  51  12.163  27.042  17.449
  397   HG23  ILE  51          HG23      ILE  51  10.535  26.754  18.025
  398   HD11  ILE  51          HD13      ILE  51  14.045  26.258  16.545
  399   HD12  ILE  51          HD11      ILE  51  14.776  24.761  15.955
  400   HD13  ILE  51          HD12      ILE  51  13.342  25.415  15.143
  401    H    ASN  52           H        ASN  52   8.465  24.272  16.547
  402    HA   ASN  52           HA       ASN  52   7.297  26.356  18.053
  403    HB2  ASN  52           HB2      ASN  52   6.383  24.533  15.834
  404    HB3  ASN  52           HB3      ASN  52   5.130  25.308  16.756
  405   HD21  ASN  52          HD22      ASN  52   8.097  26.054  14.859
  406   HD22  ASN  52          HD21      ASN  52   7.583  27.662  14.407
  407    H    ASN  53           H        ASN  53   6.869  22.866  18.297
  408    HA   ASN  53           HA       ASN  53   5.056  23.186  20.651
  409    HB2  ASN  53           HB2      ASN  53   3.365  23.107  19.093
  410    HB3  ASN  53           HB3      ASN  53   4.352  22.324  17.877
  411   HD21  ASN  53          HD22      ASN  53   4.182  20.132  17.555
  412   HD22  ASN  53          HD21      ASN  53   3.207  19.076  18.550
  413    H    GLY  54           H        GLY  54   6.712  20.872  18.437
  414    HA2  GLY  54           HA2      GLY  54   8.209  19.266  19.948
  415    HA3  GLY  54           HA3      GLY  54   6.581  18.745  20.435
  416    HA   PRO  55           HA       PRO  55   7.911  16.799  16.333
  417    HB2  PRO  55           HB2      PRO  55   7.408  14.149  17.003
  418    HB3  PRO  55           HB3      PRO  55   8.980  14.964  17.210
  419    HG2  PRO  55           HG2      PRO  55   6.823  14.516  19.270
  420    HG3  PRO  55           HG3      PRO  55   8.595  14.291  19.423
  421    HD2  PRO  55           HD2      PRO  55   7.313  16.525  20.348
  422    HD3  PRO  55           HD3      PRO  55   8.950  16.630  19.636
  423    H    TYR  56           H        TYR  56   6.445  16.536  14.764
  424    HA   TYR  56           HA       TYR  56   3.542  16.475  15.484
  425    HB2  TYR  56           HB2      TYR  56   5.135  17.530  13.140
  426    HB3  TYR  56           HB3      TYR  56   3.455  17.106  12.912
  427    HD1  TYR  56           HD1      TYR  56   5.710  19.271  14.915
  428    HD2  TYR  56           HD2      TYR  56   1.671  18.485  13.641
  429    HE1  TYR  56           HE1      TYR  56   4.986  21.498  15.790
  430    HE2  TYR  56           HE2      TYR  56   0.939  20.677  14.530
  431    HH   TYR  56           HH       TYR  56   1.599  22.647  15.602
  432    H    TYR  57           H        TYR  57   5.911  14.301  14.511
  433    HA   TYR  57           HA       TYR  57   4.026  12.635  12.912
  434    HB2  TYR  57           HB2      TYR  57   6.927  13.249  12.358
  435    HB3  TYR  57           HB3      TYR  57   5.950  11.994  11.589
  436    HD1  TYR  57           HD2      TYR  57   4.095  12.527  10.096
  437    HD2  TYR  57           HD1      TYR  57   6.494  15.656  11.848
  438    HE1  TYR  57           HE2      TYR  57   2.968  14.196   8.645
  439    HE2  TYR  57           HE1      TYR  57   5.442  17.316  10.341
  440    HH   TYR  57           HH       TYR  57   2.833  16.446   8.026
  441    H    ILE  58           H        ILE  58   3.543  11.622  15.001
  442    HA   ILE  58           HA       ILE  58   5.644   9.715  15.908
  443    HB   ILE  58           HB       ILE  58   3.609  11.216  17.609
  444   HG12  ILE  58          HG12      ILE  58   5.544  12.632  17.102
  445   HG13  ILE  58          HG13      ILE  58   5.461  12.205  18.797
  446   HG21  ILE  58          HG21      ILE  58   3.742   8.993  18.500
  447   HG22  ILE  58          HG22      ILE  58   5.508   8.955  18.368
  448   HG23  ILE  58          HG23      ILE  58   4.713  10.025  19.548
  449   HD11  ILE  58          HD13      ILE  58   7.776  12.093  18.051
  450   HD12  ILE  58          HD11      ILE  58   7.228  10.462  18.438
  451   HD13  ILE  58          HD12      ILE  58   7.350  10.980  16.744
  452    H    LEU  59           H        LEU  59   4.929   7.648  15.987
  453    HA   LEU  59           HA       LEU  59   2.088   7.139  15.179
  454    HB2  LEU  59           HB2      LEU  59   4.649   5.708  14.345
  455    HB3  LEU  59           HB3      LEU  59   3.033   5.123  14.024
  456    HG   LEU  59           HG       LEU  59   3.787   6.059  12.032
  457   HD11  LEU  59          HD11      LEU  59   2.160   7.727  11.474
  458   HD12  LEU  59          HD12      LEU  59   1.432   6.585  12.613
  459   HD13  LEU  59          HD13      LEU  59   1.956   8.192  13.171
  460   HD21  LEU  59          HD23      LEU  59   4.452   8.713  13.363
  461   HD22  LEU  59          HD21      LEU  59   5.639   7.488  12.857
  462   HD23  LEU  59          HD22      LEU  59   4.594   8.292  11.682
  463    H    ALA  60           H        ALA  60   4.799   6.167  17.220
  464    HA   ALA  60           HA       ALA  60   3.025   4.903  19.085
  465    HB1  ALA  60           HB3      ALA  60   5.207   3.231  17.721
  466    HB2  ALA  60           HB1      ALA  60   4.267   2.731  19.136
  467    HB3  ALA  60           HB2      ALA  60   3.457   2.954  17.578
  468    HA   PRO  61           HA       PRO  61   6.349   6.489  21.725
  469    HB2  PRO  61           HB2      PRO  61   6.328   3.769  23.046
  470    HB3  PRO  61           HB3      PRO  61   6.345   5.395  23.801
  471    HG2  PRO  61           HG2      PRO  61   4.043   3.975  23.672
  472    HG3  PRO  61           HG3      PRO  61   4.037   5.732  23.303
  473    HD2  PRO  61           HD2      PRO  61   4.056   3.407  21.369
  474    HD3  PRO  61           HD3      PRO  61   3.090   4.914  21.318
  475    H    GLY  62           H        GLY  62   8.375   6.698  20.902
  476    HA2  GLY  62           HA2      GLY  62  10.563   6.000  20.483
  477    HA3  GLY  62           HA3      GLY  62  10.041   4.327  20.358
  478    H    VAL  63           H        VAL  63   7.839   5.911  18.402
  479    HA   VAL  63           HA       VAL  63   9.529   5.462  15.986
  480    HB   VAL  63           HB       VAL  63   6.617   4.690  16.422
  481   HG11  VAL  63          HG11      VAL  63   8.492   4.127  14.081
  482   HG12  VAL  63          HG12      VAL  63   6.839   3.492  14.246
  483   HG13  VAL  63          HG13      VAL  63   7.105   5.223  14.063
  484   HG21  VAL  63          HG23      VAL  63   7.435   2.347  16.318
  485   HG22  VAL  63          HG21      VAL  63   9.111   2.939  16.368
  486   HG23  VAL  63          HG22      VAL  63   8.018   3.195  17.744
  487    H    ALA  64           H        ALA  64   9.717   7.255  14.822
  488    HA   ALA  64           HA       ALA  64   7.459   9.182  14.738
  489    HB1  ALA  64           HB3      ALA  64  10.415   9.886  14.510
  490    HB2  ALA  64           HB1      ALA  64   9.056  11.027  14.511
  491    HB3  ALA  64           HB2      ALA  64   9.431  10.120  15.976
  492    H    MET  65           H        MET  65   7.554  10.536  12.685
  493    HA   MET  65           HA       MET  65   8.755   9.087  10.419
  494    HB2  MET  65           HB2      MET  65   6.521   8.196  10.706
  495    HB3  MET  65           HB3      MET  65   5.845   9.819  10.477
  496    HG2  MET  65           HG2      MET  65   7.430   9.513   8.225
  497    HG3  MET  65           HG3      MET  65   6.945   7.852   8.531
  498    HE1  MET  65           HE3      MET  65   3.663   8.810   9.803
  499    HE2  MET  65           HE1      MET  65   3.056   8.049   8.317
  500    HE3  MET  65           HE2      MET  65   4.412   7.315   9.197
  501    HA   PRO  66           HA       PRO  66   9.041  13.773  10.467
  502    HB2  PRO  66           HB2      PRO  66  11.836  13.045   9.476
  503    HB3  PRO  66           HB3      PRO  66  11.363  14.407  10.530
  504    HG2  PRO  66           HG2      PRO  66  12.458  12.223  11.632
  505    HG3  PRO  66           HG3      PRO  66  11.009  12.944  12.394
  506    HD2  PRO  66           HD2      PRO  66  11.134  10.578  10.492
  507    HD3  PRO  66           HD3      PRO  66  10.291  10.719  12.063
  508    H    HIS  67           H        HIS  67   8.666  14.994   8.709
  509    HA   HIS  67           HA       HIS  67   9.113  14.694   5.975
  510    HB2  HIS  67           HB2      HIS  67   7.891  12.855   5.454
  511    HB3  HIS  67           HB3      HIS  67   7.150  12.772   7.022
  512    HD1  HIS  67           HD1      HIS  67   4.821  13.805   7.396
  513    HD2  HIS  67           HD2      HIS  67   6.327  14.111   3.445
  514    HE1  HIS  67           HE1      HIS  67   2.836  14.402   5.919
  515    H    ALA  68           H        ALA  68   7.627  16.252   4.793
  516    HA   ALA  68           HA       ALA  68   6.065  18.092   6.501
  517    HB1  ALA  68           HB3      ALA  68   8.357  19.005   4.721
  518    HB2  ALA  68           HB1      ALA  68   7.206  20.038   5.593
  519    HB3  ALA  68           HB2      ALA  68   8.346  19.040   6.495
  520    H    ARG  69           H        ARG  69   4.801  19.574   5.040
  521    HA   ARG  69           HA       ARG  69   3.523  18.088   2.933
  522    HB2  ARG  69           HB2      ARG  69   3.504  21.017   3.780
  523    HB3  ARG  69           HB3      ARG  69   2.486  20.448   2.473
  524    HG2  ARG  69           HG2      ARG  69   2.353  19.443   5.362
  525    HG3  ARG  69           HG3      ARG  69   1.316  20.665   4.648
  526    HD2  ARG  69           HD2      ARG  69   0.047  18.678   4.664
  527    HD3  ARG  69           HD3      ARG  69   0.506  18.971   2.980
  528    HE   ARG  69           HE       ARG  69   2.312  17.196   4.451
  529   HH11  ARG  69          HH11      ARG  69  -0.756  17.231   2.688
  530   HH12  ARG  69          HH12      ARG  69  -0.605  15.627   2.082
  531   HH21  ARG  69          HH21      ARG  69   2.624  15.087   3.505
  532   HH22  ARG  69          HH22      ARG  69   1.328  14.374   2.622
  533    HA   PRO  70           HA       PRO  70   6.059  18.298  -0.435
  534    HB2  PRO  70           HB2      PRO  70   4.463  19.240  -2.575
  535    HB3  PRO  70           HB3      PRO  70   4.519  17.573  -1.970
  536    HG2  PRO  70           HG2      PRO  70   2.511  19.709  -1.343
  537    HG3  PRO  70           HG3      PRO  70   2.244  17.958  -1.603
  538    HD2  PRO  70           HD2      PRO  70   2.290  19.053   0.873
  539    HD3  PRO  70           HD3      PRO  70   2.971  17.437   0.588
  540    H    GLU  71           H        GLU  71   4.006  21.225  -0.182
  541    HA   GLU  71           HA       GLU  71   5.537  23.066  -1.628
  542    HB2  GLU  71           HB2      GLU  71   3.766  23.557   0.807
  543    HB3  GLU  71           HB3      GLU  71   4.212  24.756  -0.405
  544    HG2  GLU  71           HG2      GLU  71   2.468  22.295  -0.849
  545    HG3  GLU  71           HG3      GLU  71   1.920  23.956  -0.723
  546    H    CYS  72           H        CYS  72   6.417  21.602   1.378
  547    HA   CYS  72           HA       CYS  72   7.828  23.940   2.462
  548    HB2  CYS  72           HB2      CYS  72   7.834  21.015   3.326
  549    HB3  CYS  72           HB3      CYS  72   8.570  22.367   4.201
  550    HG   CYS  72           HG       CYS  72   5.409  21.926   3.352
  551    H    GLY  73           H        GLY  73   8.469  21.698  -0.027
  552    HA2  GLY  73           HA2      GLY  73  10.602  22.546  -1.120
  553    HA3  GLY  73           HA3      GLY  73  11.428  21.960   0.330
  554    H    ALA  74           H        ALA  74   8.749  19.950  -0.783
  555    HA   ALA  74           HA       ALA  74  10.615  17.781  -1.440
  556    HB1  ALA  74           HB3      ALA  74   8.347  17.354  -0.441
  557    HB2  ALA  74           HB1      ALA  74   7.634  17.962  -1.966
  558    HB3  ALA  74           HB2      ALA  74   8.646  16.510  -1.972
  559    H    LEU  75           H        LEU  75  11.038  16.962  -3.420
  560    HA   LEU  75           HA       LEU  75  10.392  18.658  -5.799
  561    HB2  LEU  75           HB2      LEU  75  13.016  17.328  -5.054
  562    HB3  LEU  75           HB3      LEU  75  12.714  18.198  -6.552
  563    HG   LEU  75           HG       LEU  75  12.729  19.426  -3.758
  564   HD11  LEU  75          HD11      LEU  75  14.861  20.445  -4.464
  565   HD12  LEU  75          HD12      LEU  75  14.956  18.681  -4.489
  566   HD13  LEU  75          HD13      LEU  75  14.776  19.573  -6.012
  567   HD21  LEU  75          HD23      LEU  75  12.546  20.757  -6.507
  568   HD22  LEU  75          HD21      LEU  75  11.262  20.710  -5.281
  569   HD23  LEU  75          HD22      LEU  75  12.747  21.604  -4.956
  570    H    LYS  76           H        LYS  76  11.118  15.423  -4.476
  571    HA   LYS  76           HA       LYS  76   9.768  14.174  -6.737
  572    HB2  LYS  76           HB2      LYS  76  12.560  13.344  -5.879
  573    HB3  LYS  76           HB3      LYS  76  11.578  12.552  -7.100
  574    HG2  LYS  76           HG2      LYS  76  11.729  14.593  -8.514
  575    HG3  LYS  76           HG3      LYS  76  12.770  15.360  -7.299
  576    HD2  LYS  76           HD2      LYS  76  13.454  12.731  -8.670
  577    HD3  LYS  76           HD3      LYS  76  13.967  14.310  -9.281
  578    HE2  LYS  76           HE2      LYS  76  15.274  14.785  -7.307
  579    HE3  LYS  76           HE3      LYS  76  14.604  13.394  -6.448
  580    HZ1  LYS  76           HZ3      LYS  76  16.405  13.239  -8.788
  581    HZ2  LYS  76           HZ1      LYS  76  16.766  12.871  -7.225
  582    HZ3  LYS  76           HZ2      LYS  76  15.715  11.944  -8.060
  583    H    THR  77           H        THR  77   9.112  11.940  -6.162
  584    HA   THR  77           HA       THR  77   8.650  11.751  -3.359
  585    HB   THR  77           HB       THR  77   7.667  10.257  -5.814
  586    HG1  THR  77           HG1      THR  77   6.122  11.655  -5.902
  587   HG21  THR  77          HG23      THR  77   6.620  10.230  -2.966
  588   HG22  THR  77          HG21      THR  77   5.764   9.565  -4.386
  589   HG23  THR  77          HG22      THR  77   7.303   8.860  -3.871
  590    H    GLY  78           H        GLY  78   9.376  10.325  -1.858
  591    HA2  GLY  78           HA2      GLY  78  10.591   7.815  -2.419
  592    HA3  GLY  78           HA3      GLY  78  11.838   9.053  -2.207
  593    H    MET  79           H        MET  79  12.065   7.265  -0.361
  594    HA   MET  79           HA       MET  79  11.105   8.463   2.139
  595    HB2  MET  79           HB2      MET  79  10.606   5.561   1.300
  596    HB3  MET  79           HB3      MET  79  10.656   6.075   2.983
  597    HG2  MET  79           HG2      MET  79   8.972   7.866   2.367
  598    HG3  MET  79           HG3      MET  79   8.628   6.951   0.915
  599    HE1  MET  79           HE3      MET  79   7.972   4.040   1.406
  600    HE2  MET  79           HE1      MET  79   6.409   4.123   2.223
  601    HE3  MET  79           HE2      MET  79   6.762   5.254   0.904
  602    H    SER  80           H        SER  80  12.182   7.326   4.023
  603    HA   SER  80           HA       SER  80  14.617   5.884   3.516
  604    HB2  SER  80           HB2      SER  80  14.729   8.705   4.670
  605    HB3  SER  80           HB3      SER  80  16.041   7.523   4.847
  606    HG   SER  80           HG       SER  80  15.035   7.879   2.278
  607    H    LEU  81           H        LEU  81  15.645   5.355   5.697
  608    HA   LEU  81           HA       LEU  81  13.695   4.946   7.883
  609    HB2  LEU  81           HB2      LEU  81  13.598   3.116   6.193
  610    HB3  LEU  81           HB3      LEU  81  15.345   2.918   6.274
  611    HG   LEU  81           HG       LEU  81  15.258   2.016   8.471
  612   HD11  LEU  81          HD11      LEU  81  12.257   2.491   8.415
  613   HD12  LEU  81          HD12      LEU  81  13.119   1.566   9.643
  614   HD13  LEU  81          HD13      LEU  81  13.403   3.304   9.508
  615   HD21  LEU  81          HD23      LEU  81  14.022  -0.040   7.879
  616   HD22  LEU  81          HD21      LEU  81  13.021   0.886   6.753
  617   HD23  LEU  81          HD22      LEU  81  14.728   0.657   6.392
  618    H    THR  82           H        THR  82  14.724   5.234   9.847
  619    HA   THR  82           HA       THR  82  17.686   5.037  10.021
  620    HB   THR  82           HB       THR  82  15.871   7.246  11.080
  621    HG1  THR  82           HG1      THR  82  17.553   7.179   8.802
  622   HG21  THR  82          HG23      THR  82  17.821   6.988  12.468
  623   HG22  THR  82          HG21      THR  82  18.903   7.001  11.056
  624   HG23  THR  82          HG22      THR  82  17.987   8.464  11.507
  625    H    LEU  83           H        LEU  83  18.359   4.091  11.947
  626    HA   LEU  83           HA       LEU  83  16.392   3.852  14.169
  627    HB2  LEU  83           HB2      LEU  83  16.661   1.652  12.950
  628    HB3  LEU  83           HB3      LEU  83  18.394   1.740  13.303
  629    HG   LEU  83           HG       LEU  83  17.645   1.906  15.817
  630   HD11  LEU  83          HD11      LEU  83  15.198   2.245  15.237
  631   HD12  LEU  83          HD12      LEU  83  15.146   0.541  14.727
  632   HD13  LEU  83          HD13      LEU  83  15.543   0.993  16.418
  633   HD21  LEU  83          HD23      LEU  83  18.817  -0.023  14.914
  634   HD22  LEU  83          HD21      LEU  83  17.520  -0.548  16.004
  635   HD23  LEU  83          HD22      LEU  83  17.297  -0.647  14.246
  636    H    LEU  84           H        LEU  84  17.302   4.226  16.163
  637    HA   LEU  84           HA       LEU  84  20.193   4.960  16.363
  638    HB2  LEU  84           HB2      LEU  84  17.697   6.201  17.544
  639    HB3  LEU  84           HB3      LEU  84  19.255   6.313  18.361
  640    HG   LEU  84           HG       LEU  84  20.240   7.594  16.621
  641   HD11  LEU  84          HD11      LEU  84  19.256   6.763  14.585
  642   HD12  LEU  84          HD12      LEU  84  17.629   7.289  15.091
  643   HD13  LEU  84          HD13      LEU  84  18.897   8.480  14.706
  644   HD21  LEU  84          HD23      LEU  84  18.756   9.603  16.830
  645   HD22  LEU  84          HD21      LEU  84  17.470   8.562  17.448
  646   HD23  LEU  84          HD22      LEU  84  18.992   8.731  18.355
  647    H    GLU  85           H        GLU  85  21.205   3.522  17.781
  648    HA   GLU  85           HA       GLU  85  19.772   1.518  19.178
  649    HB2  GLU  85           HB2      GLU  85  22.603   2.540  19.644
  650    HB3  GLU  85           HB3      GLU  85  21.921   1.078  20.359
  651    HG2  GLU  85           HG2      GLU  85  21.508   0.185  18.046
  652    HG3  GLU  85           HG3      GLU  85  22.377   1.573  17.389
  653    H    GLN  86           H        GLN  86  21.168   4.565  20.323
  654    HA   GLN  86           HA       GLN  86  20.252   4.175  23.085
  655    HB2  GLN  86           HB2      GLN  86  21.453   6.557  21.623
  656    HB3  GLN  86           HB3      GLN  86  21.157   6.536  23.343
  657    HG2  GLN  86           HG2      GLN  86  22.969   4.501  21.970
  658    HG3  GLN  86           HG3      GLN  86  23.544   6.036  22.607
  659   HE21  GLN  86          HE22      GLN  86  24.899   4.162  23.674
  660   HE22  GLN  86          HE21      GLN  86  24.352   3.692  25.277
  661    H    GLY  87           H        GLY  87  19.065   5.665  20.167
  662    HA2  GLY  87           HA2      GLY  87  17.140   6.837  19.684
  663    HA3  GLY  87           HA3      GLY  87  16.618   6.725  21.376
  664    H    VAL  88           H        VAL  88  16.188   9.145  20.313
  665    HA   VAL  88           HA       VAL  88  17.935  10.706  22.019
  666    HB   VAL  88           HB       VAL  88  18.749  10.775  19.463
  667   HG11  VAL  88          HG11      VAL  88  17.922  12.686  18.260
  668   HG12  VAL  88          HG12      VAL  88  16.627  11.487  18.507
  669   HG13  VAL  88          HG13      VAL  88  16.676  12.987  19.471
  670   HG21  VAL  88          HG23      VAL  88  18.672  13.224  21.224
  671   HG22  VAL  88          HG21      VAL  88  19.816  11.856  21.335
  672   HG23  VAL  88          HG22      VAL  88  19.800  12.872  19.890
  673    H    TYR  89           H        TYR  89  16.827  12.930  22.385
  674    HA   TYR  89           HA       TYR  89  13.958  12.201  22.630
  675    HB2  TYR  89           HB2      TYR  89  15.487  12.198  24.684
  676    HB3  TYR  89           HB3      TYR  89  15.375  13.946  24.617
  677    HD1  TYR  89           HD2      TYR  89  12.160  13.075  23.463
  678    HD2  TYR  89           HD1      TYR  89  14.603  12.763  27.031
  679    HE1  TYR  89           HE2      TYR  89  10.163  12.911  24.822
  680    HE2  TYR  89           HE1      TYR  89  12.548  12.605  28.404
  681    HH   TYR  89           HH       TYR  89   9.262  12.810  26.919
  682    H    PHE  90           H        PHE  90  12.943  13.194  21.091
  683    HA   PHE  90           HA       PHE  90  13.353  15.886  20.174
  684    HB2  PHE  90           HB2      PHE  90  11.134  13.819  20.020
  685    HB3  PHE  90           HB3      PHE  90  10.923  15.442  19.384
  686    HD1  PHE  90           HD2      PHE  90  13.606  12.721  19.110
  687    HD2  PHE  90           HD1      PHE  90  11.194  15.692  17.099
  688    HE1  PHE  90           HE2      PHE  90  14.632  12.108  16.961
  689    HE2  PHE  90           HE1      PHE  90  12.213  15.041  14.949
  690    HZ   PHE  90           HZ       PHE  90  13.949  13.266  14.866
  691    HA   PRO  91           HA       PRO  91  11.960  17.962  23.688
  692    HB2  PRO  91           HB2      PRO  91  10.746  20.267  22.711
  693    HB3  PRO  91           HB3      PRO  91  12.508  19.969  22.777
  694    HG2  PRO  91           HG2      PRO  91  10.629  19.549  20.440
  695    HG3  PRO  91           HG3      PRO  91  12.234  20.353  20.442
  696    HD2  PRO  91           HD2      PRO  91  11.982  17.776  19.652
  697    HD3  PRO  91           HD3      PRO  91  13.362  18.272  20.674
  698    H    GLY  92           H        GLY  92  10.400  17.604  25.096
  699    HA2  GLY  92           HA2      GLY  92   8.384  17.452  26.100
  700    HA3  GLY  92           HA3      GLY  92   7.697  18.334  24.732
  701    H    ASN  93           H        ASN  93   9.198  15.347  23.705
  702    HA   ASN  93           HA       ASN  93   6.588  14.293  23.024
  703    HB2  ASN  93           HB2      ASN  93   8.726  14.135  21.640
  704    HB3  ASN  93           HB3      ASN  93   9.294  12.925  22.780
  705   HD21  ASN  93          HD22      ASN  93   9.079  10.952  21.755
  706   HD22  ASN  93          HD21      ASN  93   7.659  10.472  20.837
  707    H    ASP  94           H        ASP  94   6.071  11.914  23.499
  708    HA   ASP  94           HA       ASP  94   5.845  11.503  26.288
  709    HB2  ASP  94           HB2      ASP  94   4.309  10.513  24.647
  710    HB3  ASP  94           HB3      ASP  94   5.613   9.500  24.014
  711    H    GLU  95           H        GLU  95   8.161  10.146  23.949
  712    HA   GLU  95           HA       GLU  95  10.129   9.746  26.026
  713    HB2  GLU  95           HB2      GLU  95   9.869   7.579  26.396
  714    HB3  GLU  95           HB3      GLU  95   8.340   7.669  25.530
  715    HG2  GLU  95           HG2      GLU  95   9.432   6.961  23.448
  716    HG3  GLU  95           HG3      GLU  95  10.982   6.835  24.301
  717    HA   PRO  96           HA       PRO  96  13.121  10.323  22.766
  718    HB2  PRO  96           HB2      PRO  96  14.245   7.618  23.524
  719    HB3  PRO  96           HB3      PRO  96  15.130   9.135  23.189
  720    HG2  PRO  96           HG2      PRO  96  14.700   8.335  25.733
  721    HG3  PRO  96           HG3      PRO  96  14.498  10.059  25.290
  722    HD2  PRO  96           HD2      PRO  96  12.373   7.963  25.717
  723    HD3  PRO  96           HD3      PRO  96  12.371   9.691  26.179
  724    H    ILE  97           H        ILE  97  13.432   9.788  20.600
  725    HA   ILE  97           HA       ILE  97  11.714   7.631  19.478
  726    HB   ILE  97           HB       ILE  97  13.419   9.703  18.034
  727   HG12  ILE  97          HG12      ILE  97  11.832  11.009  19.230
  728   HG13  ILE  97          HG13      ILE  97  11.265  10.899  17.578
  729   HG21  ILE  97          HG21      ILE  97  11.898   9.142  16.135
  730   HG22  ILE  97          HG22      ILE  97  12.904   7.775  16.614
  731   HG23  ILE  97          HG23      ILE  97  11.194   7.834  17.086
  732   HD11  ILE  97          HD13      ILE  97  10.166   9.372  19.993
  733   HD12  ILE  97          HD11      ILE  97   9.426  10.707  19.118
  734   HD13  ILE  97          HD12      ILE  97   9.610   9.136  18.312
  735    H    LYS  98           H        LYS  98  12.612   5.781  18.708
  736    HA   LYS  98           HA       LYS  98  15.602   5.624  18.552
  737    HB2  LYS  98           HB2      LYS  98  13.624   3.363  19.030
  738    HB3  LYS  98           HB3      LYS  98  15.360   3.192  18.825
  739    HG2  LYS  98           HG2      LYS  98  14.900   5.131  20.940
  740    HG3  LYS  98           HG3      LYS  98  13.833   3.770  21.231
  741    HD2  LYS  98           HD2      LYS  98  16.855   3.635  20.876
  742    HD3  LYS  98           HD3      LYS  98  15.979   3.580  22.411
  743    HE2  LYS  98           HE2      LYS  98  14.801   1.488  21.575
  744    HE3  LYS  98           HE3      LYS  98  15.879   1.517  20.170
  745    HZ1  LYS  98           HZ3      LYS  98  17.759   1.411  21.770
  746    HZ2  LYS  98           HZ1      LYS  98  16.697   1.209  22.998
  747    HZ3  LYS  98           HZ2      LYS  98  16.797   0.080  21.828
  748    H    LEU  99           H        LEU  99  12.574   5.499  16.772
  749    HA   LEU  99           HA       LEU  99  14.115   4.599  14.403
  750    HB2  LEU  99           HB2      LEU  99  12.861   2.665  15.470
  751    HB3  LEU  99           HB3      LEU  99  11.405   3.650  15.404
  752    HG   LEU  99           HG       LEU  99  11.708   3.651  12.824
  753   HD11  LEU  99          HD11      LEU  99  13.480   1.254  13.504
  754   HD12  LEU  99          HD12      LEU  99  12.935   1.707  11.891
  755   HD13  LEU  99          HD13      LEU  99  14.059   2.737  12.765
  756   HD21  LEU  99          HD23      LEU  99  10.383   1.718  12.655
  757   HD22  LEU  99          HD21      LEU  99  11.098   0.976  14.120
  758   HD23  LEU  99          HD22      LEU  99  10.019   2.376  14.227
  759    H    LEU 100           H        LEU 100  13.634   5.628  12.554
  760    HA   LEU 100           HA       LEU 100  11.319   7.492  12.524
  761    HB2  LEU 100           HB2      LEU 100  14.080   8.348  11.588
  762    HB3  LEU 100           HB3      LEU 100  12.641   9.311  11.747
  763    HG   LEU 100           HG       LEU 100  12.916   8.469  14.313
  764   HD11  LEU 100          HD11      LEU 100  15.233   8.546  15.054
  765   HD12  LEU 100          HD12      LEU 100  15.065   7.270  13.843
  766   HD13  LEU 100          HD13      LEU 100  15.785   8.823  13.385
  767   HD21  LEU 100          HD23      LEU 100  14.377  10.907  13.313
  768   HD22  LEU 100          HD21      LEU 100  12.628  10.806  13.631
  769   HD23  LEU 100          HD22      LEU 100  13.785  10.592  14.953
  770    H    ILE 101           H        ILE 101  10.319   7.549  10.504
  771    HA   ILE 101           HA       ILE 101  11.903   6.540   8.198
  772    HB   ILE 101           HB       ILE 101   9.061   5.931   8.960
  773   HG12  ILE 101          HG12      ILE 101  11.388   4.569   7.563
  774   HG13  ILE 101          HG13      ILE 101  10.743   4.261   9.178
  775   HG21  ILE 101          HG21      ILE 101   8.669   7.288   6.938
  776   HG22  ILE 101          HG22      ILE 101   9.812   6.257   6.039
  777   HG23  ILE 101          HG23      ILE 101   8.296   5.601   6.699
  778   HD11  ILE 101          HD13      ILE 101   9.528   3.588   6.491
  779   HD12  ILE 101          HD11      ILE 101  10.076   2.474   7.744
  780   HD13  ILE 101          HD12      ILE 101   8.618   3.461   8.026
  781    H    GLY 102           H        GLY 102  12.227   7.865   6.608
  782    HA2  GLY 102           HA2      GLY 102  11.206  10.645   6.772
  783    HA3  GLY 102           HA3      GLY 102  12.557  10.083   5.783
  784    H    LEU 103           H        LEU 103  10.009  11.470   4.955
  785    HA   LEU 103           HA       LEU 103   9.536   9.785   2.616
  786    HB2  LEU 103           HB2      LEU 103   7.704   9.202   4.368
  787    HB3  LEU 103           HB3      LEU 103   7.213  10.878   4.259
  788    HG   LEU 103           HG       LEU 103   6.889   8.615   2.257
  789   HD11  LEU 103          HD11      LEU 103   4.918  10.688   3.381
  790   HD12  LEU 103          HD12      LEU 103   4.566   9.077   2.724
  791   HD13  LEU 103          HD13      LEU 103   5.344   9.255   4.291
  792   HD21  LEU 103          HD23      LEU 103   7.317  10.269   0.688
  793   HD22  LEU 103          HD21      LEU 103   5.588  10.414   0.877
  794   HD23  LEU 103          HD22      LEU 103   6.600  11.587   1.687
  795    H    SER 104           H        SER 104   9.162  11.097   0.825
  796    HA   SER 104           HA       SER 104   8.377  13.885   1.181
  797    HB2  SER 104           HB2      SER 104  10.093  14.676  -0.389
  798    HB3  SER 104           HB3      SER 104  10.813  14.033   1.099
  799    HG   SER 104           HG       SER 104  10.858  13.006  -1.515
  800    H    ALA 105           H        ALA 105   7.036  14.503  -0.613
  801    HA   ALA 105           HA       ALA 105   7.154  12.826  -2.978
  802    HB1  ALA 105           HB3      ALA 105   4.409  13.293  -1.912
  803    HB2  ALA 105           HB1      ALA 105   4.996  12.098  -3.061
  804    HB3  ALA 105           HB2      ALA 105   5.344  11.882  -1.345
  805    H    ALA 106           H        ALA 106   6.481  13.833  -4.851
  806    HA   ALA 106           HA       ALA 106   6.727  16.704  -4.654
  807    HB1  ALA 106           HB3      ALA 106   7.753  15.407  -6.517
  808    HB2  ALA 106           HB1      ALA 106   6.134  14.917  -7.073
  809    HB3  ALA 106           HB2      ALA 106   6.623  16.624  -7.138
  810    H    ASP 107           H        ASP 107   4.045  14.500  -4.619
  811    HA   ASP 107           HA       ASP 107   2.159  16.810  -4.852
  812    HB2  ASP 107           HB2      ASP 107   2.211  15.605  -7.025
  813    HB3  ASP 107           HB3      ASP 107   1.783  14.110  -6.194
  814    H    ALA 108           H        ALA 108   0.096  16.459  -3.761
  815    HA   ALA 108           HA       ALA 108   0.416  15.275  -1.206
  816    HB1  ALA 108           HB3      ALA 108  -1.062  17.202  -1.636
  817    HB2  ALA 108           HB1      ALA 108  -2.116  16.177  -2.642
  818    HB3  ALA 108           HB2      ALA 108  -1.961  15.860  -0.902
  819    H    ASP 109           H        ASP 109  -1.132  14.008  -4.188
  820    HA   ASP 109           HA       ASP 109  -2.287  11.712  -2.767
  821    HB2  ASP 109           HB2      ASP 109  -3.340  12.512  -4.788
  822    HB3  ASP 109           HB3      ASP 109  -1.849  12.252  -5.716
  823    H    SER 110           H        SER 110   0.736  12.438  -4.476
  824    HA   SER 110           HA       SER 110   1.786   9.760  -4.383
  825    HB2  SER 110           HB2      SER 110   3.261  12.423  -4.388
  826    HB3  SER 110           HB3      SER 110   3.941  10.839  -4.784
  827    HG   SER 110           HG       SER 110   2.535  10.739  -6.564
  828    H    HIS 111           H        HIS 111   1.801  12.511  -2.013
  829    HA   HIS 111           HA       HIS 111   3.281  11.101  -0.009
  830    HB2  HIS 111           HB2      HIS 111   1.230  13.334   0.193
  831    HB3  HIS 111           HB3      HIS 111   1.896  12.545   1.608
  832    HD1  HIS 111           HD1      HIS 111   2.819  15.204  -0.884
  833    HD2  HIS 111           HD2      HIS 111   4.614  12.699   1.970
  834    HE1  HIS 111           HE1      HIS 111   5.050  16.280  -0.255
  835    H    ILE 112           H        ILE 112  -0.276  11.199  -0.679
  836    HA   ILE 112           HA       ILE 112  -1.048   9.523   1.463
  837    HB   ILE 112           HB       ILE 112  -2.221   9.885  -1.318
  838   HG12  ILE 112          HG12      ILE 112  -2.281  11.877   0.183
  839   HG13  ILE 112          HG13      ILE 112  -3.850  11.309  -0.351
  840   HG21  ILE 112          HG21      ILE 112  -3.421   8.295   0.965
  841   HG22  ILE 112          HG22      ILE 112  -4.327   8.888  -0.451
  842   HG23  ILE 112          HG23      ILE 112  -3.015   7.732  -0.669
  843   HD11  ILE 112          HD13      ILE 112  -2.632  10.786   2.394
  844   HD12  ILE 112          HD11      ILE 112  -3.842  12.021   1.996
  845   HD13  ILE 112          HD12      ILE 112  -4.264  10.308   1.857
  846    H    GLY 113           H        GLY 113  -0.088   8.536  -1.907
  847    HA2  GLY 113           HA2      GLY 113  -0.333   5.768  -1.465
  848    HA3  GLY 113           HA3      GLY 113   0.756   6.530  -2.645
  849    H    ALA 114           H        ALA 114   2.453   7.934  -0.818
  850    HA   ALA 114           HA       ALA 114   4.313   5.852  -0.149
  851    HB1  ALA 114           HB3      ALA 114   5.644   7.753   0.704
  852    HB2  ALA 114           HB1      ALA 114   4.961   8.153  -0.875
  853    HB3  ALA 114           HB2      ALA 114   4.222   8.816   0.581
  854    H    ILE 115           H        ILE 115   2.235   8.006   1.875
  855    HA   ILE 115           HA       ILE 115   2.987   7.103   4.373
  856    HB   ILE 115           HB       ILE 115   0.617   8.327   3.124
  857   HG12  ILE 115          HG12      ILE 115   2.611   9.720   3.724
  858   HG13  ILE 115          HG13      ILE 115   1.069  10.303   4.319
  859   HG21  ILE 115          HG21      ILE 115   0.564   7.340   5.941
  860   HG22  ILE 115          HG22      ILE 115  -0.502   8.654   5.337
  861   HG23  ILE 115          HG23      ILE 115  -0.583   7.050   4.610
  862   HD11  ILE 115          HD13      ILE 115   2.965  10.473   5.957
  863   HD12  ILE 115          HD11      ILE 115   1.546   9.602   6.567
  864   HD13  ILE 115          HD12      ILE 115   2.974   8.696   6.036
  865    H    GLN 116           H        GLN 116   0.406   5.992   2.064
  866    HA   GLN 116           HA       GLN 116  -0.627   3.931   3.766
  867    HB2  GLN 116           HB2      GLN 116  -0.836   4.502   0.781
  868    HB3  GLN 116           HB3      GLN 116  -1.680   3.156   1.540
  869    HG2  GLN 116           HG2      GLN 116  -1.989   6.054   2.406
  870    HG3  GLN 116           HG3      GLN 116  -3.054   5.254   1.258
  871   HE21  GLN 116          HE22      GLN 116  -3.166   6.309   4.300
  872   HE22  GLN 116          HE21      GLN 116  -4.070   5.039   5.078
  873    H    ALA 117           H        ALA 117   2.354   4.056   2.159
  874    HA   ALA 117           HA       ALA 117   2.535   1.144   1.943
  875    HB1  ALA 117           HB3      ALA 117   4.526   3.282   1.046
  876    HB2  ALA 117           HB1      ALA 117   4.677   1.545   0.770
  877    HB3  ALA 117           HB2      ALA 117   3.380   2.459  -0.021
  878    H    LEU 118           H        LEU 118   4.058   3.994   3.550
  879    HA   LEU 118           HA       LEU 118   5.767   2.255   5.050
  880    HB2  LEU 118           HB2      LEU 118   6.478   4.173   6.203
  881    HB3  LEU 118           HB3      LEU 118   6.227   4.547   4.482
  882    HG   LEU 118           HG       LEU 118   3.924   5.374   5.190
  883   HD11  LEU 118          HD11      LEU 118   4.325   4.646   7.719
  884   HD12  LEU 118          HD12      LEU 118   5.376   6.044   7.767
  885   HD13  LEU 118          HD13      LEU 118   3.629   6.202   7.358
  886   HD21  LEU 118          HD23      LEU 118   6.486   6.905   5.730
  887   HD22  LEU 118          HD21      LEU 118   5.540   6.830   4.227
  888   HD23  LEU 118          HD22      LEU 118   4.874   7.634   5.651
  889    H    SER 119           H        SER 119   2.544   3.524   5.595
  890    HA   SER 119           HA       SER 119   2.310   2.796   8.312
  891    HB2  SER 119           HB2      SER 119   0.121   2.706   6.193
  892    HB3  SER 119           HB3      SER 119  -0.124   2.744   7.948
  893    HG   SER 119           HG       SER 119   0.987   4.731   6.263
  894    H    GLU 120           H        GLU 120   2.563   0.631   5.549
  895    HA   GLU 120           HA       GLU 120   1.383  -1.675   6.778
  896    HB2  GLU 120           HB2      GLU 120   3.615  -1.508   4.733
  897    HB3  GLU 120           HB3      GLU 120   2.718  -2.958   5.139
  898    HG2  GLU 120           HG2      GLU 120   1.370  -0.462   4.056
  899    HG3  GLU 120           HG3      GLU 120   2.002  -1.722   3.005
  900    H    LEU 121           H        LEU 121   4.225   0.163   7.257
  901    HA   LEU 121           HA       LEU 121   5.601  -1.934   8.864
  902    HB2  LEU 121           HB2      LEU 121   6.698   0.699   7.793
  903    HB3  LEU 121           HB3      LEU 121   7.603  -0.569   8.581
  904    HG   LEU 121           HG       LEU 121   6.312  -0.593   5.828
  905   HD11  LEU 121          HD11      LEU 121   8.663  -0.908   5.096
  906   HD12  LEU 121          HD12      LEU 121   8.444   0.586   6.024
  907   HD13  LEU 121          HD13      LEU 121   9.190  -0.835   6.789
  908   HD21  LEU 121          HD23      LEU 121   6.056  -2.905   6.776
  909   HD22  LEU 121          HD21      LEU 121   7.180  -2.843   5.423
  910   HD23  LEU 121          HD22      LEU 121   7.812  -2.959   7.064
  911    H    LEU 122           H        LEU 122   5.121   1.673   9.029
  912    HA   LEU 122           HA       LEU 122   5.752   1.826  11.788
  913    HB2  LEU 122           HB2      LEU 122   4.191   3.789  10.127
  914    HB3  LEU 122           HB3      LEU 122   4.822   4.034  11.750
  915    HG   LEU 122           HG       LEU 122   6.324   3.911   9.152
  916   HD11  LEU 122          HD11      LEU 122   5.530   6.004  10.336
  917   HD12  LEU 122          HD12      LEU 122   6.646   5.623  11.658
  918   HD13  LEU 122          HD13      LEU 122   7.266   5.962  10.039
  919   HD21  LEU 122          HD23      LEU 122   8.494   3.825  10.432
  920   HD22  LEU 122          HD21      LEU 122   7.595   3.297  11.861
  921   HD23  LEU 122          HD22      LEU 122   7.637   2.283  10.403
  922    H    CYS 123           H        CYS 123   2.716   0.790  10.420
  923    HA   CYS 123           HA       CYS 123   1.455   1.191  13.089
  924    HB2  CYS 123           HB2      CYS 123   0.079   0.721  10.418
  925    HB3  CYS 123           HB3      CYS 123  -0.690   1.139  11.946
  926    HG   CYS 123           HG       CYS 123   0.451   3.480  12.246
  927    H    GLU 124           H        GLU 124   3.319  -0.947  12.323
  928    HA   GLU 124           HA       GLU 124   1.553  -3.251  12.831
  929    HB2  GLU 124           HB2      GLU 124   2.001  -2.917  10.343
  930    HB3  GLU 124           HB3      GLU 124   3.702  -3.250  10.680
  931    HG2  GLU 124           HG2      GLU 124   2.619  -5.235   9.883
  932    HG3  GLU 124           HG3      GLU 124   3.074  -5.469  11.577
  933    H    GLU 125           H        GLU 125   2.159  -3.588  14.862
  934    HA   GLU 125           HA       GLU 125   4.657  -3.076  15.949
  935    HB2  GLU 125           HB2      GLU 125   3.936  -4.332  17.881
  936    HB3  GLU 125           HB3      GLU 125   2.623  -3.336  17.256
  937    HG2  GLU 125           HG2      GLU 125   1.650  -5.364  16.140
  938    HG3  GLU 125           HG3      GLU 125   2.941  -6.345  16.837
  939    H    GLU 126           H        GLU 126   3.654  -5.890  14.119
  940    HA   GLU 126           HA       GLU 126   5.697  -7.692  14.936
  941    HB2  GLU 126           HB2      GLU 126   4.317  -7.458  12.222
  942    HB3  GLU 126           HB3      GLU 126   5.308  -8.821  12.760
  943    HG2  GLU 126           HG2      GLU 126   3.736  -9.127  14.689
  944    HG3  GLU 126           HG3      GLU 126   2.699  -7.875  13.985
  945    H    ILE 127           H        ILE 127   5.543  -5.219  12.391
  946    HA   ILE 127           HA       ILE 127   8.247  -5.651  11.428
  947    HB   ILE 127           HB       ILE 127   6.095  -3.637  10.954
  948   HG12  ILE 127          HG12      ILE 127   6.240  -4.321   8.670
  949   HG13  ILE 127          HG13      ILE 127   7.685  -5.300   8.974
  950   HG21  ILE 127          HG21      ILE 127   9.008  -3.362  10.230
  951   HG22  ILE 127          HG22      ILE 127   7.745  -2.620   9.254
  952   HG23  ILE 127          HG23      ILE 127   7.908  -2.161  10.950
  953   HD11  ILE 127          HD13      ILE 127   5.599  -6.602   8.611
  954   HD12  ILE 127          HD11      ILE 127   6.362  -6.940  10.173
  955   HD13  ILE 127          HD12      ILE 127   4.925  -5.879  10.087
  956    H    LEU 128           H        LEU 128   6.593  -3.303  13.618
  957    HA   LEU 128           HA       LEU 128   8.764  -1.600  13.944
  958    HB2  LEU 128           HB2      LEU 128   6.665  -2.334  16.020
  959    HB3  LEU 128           HB3      LEU 128   7.818  -1.028  16.211
  960    HG   LEU 128           HG       LEU 128   5.690  -1.147  14.037
  961   HD11  LEU 128          HD11      LEU 128   4.766  -0.732  16.270
  962   HD12  LEU 128          HD12      LEU 128   5.942   0.567  16.543
  963   HD13  LEU 128          HD13      LEU 128   4.695   0.734  15.287
  964   HD21  LEU 128          HD23      LEU 128   6.417   1.286  13.742
  965   HD22  LEU 128          HD21      LEU 128   7.900   0.856  14.614
  966   HD23  LEU 128          HD22      LEU 128   7.495   0.057  13.079
  967    H    GLU 129           H        GLU 129   8.171  -4.621  15.742
  968    HA   GLU 129           HA       GLU 129  10.365  -4.118  17.495
  969    HB2  GLU 129           HB2      GLU 129   9.852  -5.978  18.619
  970    HB3  GLU 129           HB3      GLU 129   8.298  -5.707  17.840
  971    HG2  GLU 129           HG2      GLU 129   9.015  -7.394  16.068
  972    HG3  GLU 129           HG3      GLU 129  10.478  -7.684  17.031
  973    H    GLN 130           H        GLN 130  10.084  -5.623  14.265
  974    HA   GLN 130           HA       GLN 130  12.599  -7.019  14.391
  975    HB2  GLN 130           HB2      GLN 130  10.796  -6.100  12.120
  976    HB3  GLN 130           HB3      GLN 130  12.310  -6.980  11.866
  977    HG2  GLN 130           HG2      GLN 130  11.509  -8.934  12.959
  978    HG3  GLN 130           HG3      GLN 130  10.070  -8.111  13.549
  979   HE21  GLN 130          HE22      GLN 130   8.245  -8.313  12.311
  980   HE22  GLN 130          HE21      GLN 130   8.203  -8.871  10.642
  981    H    LEU 131           H        LEU 131  11.451  -3.787  13.301
  982    HA   LEU 131           HA       LEU 131  14.033  -2.915  12.316
  983    HB2  LEU 131           HB2      LEU 131  11.780  -1.227  13.451
  984    HB3  LEU 131           HB3      LEU 131  13.124  -0.658  12.482
  985    HG   LEU 131           HG       LEU 131  11.100  -2.686  11.409
  986   HD11  LEU 131          HD11      LEU 131   9.812  -0.859  10.508
  987   HD12  LEU 131          HD12      LEU 131   9.980  -0.669  12.276
  988   HD13  LEU 131          HD13      LEU 131  10.965   0.316  11.152
  989   HD21  LEU 131          HD23      LEU 131  12.881  -0.686   9.984
  990   HD22  LEU 131          HD21      LEU 131  13.169  -2.434  10.084
  991   HD23  LEU 131          HD22      LEU 131  11.758  -1.812   9.212
  992    H    LEU 132           H        LEU 132  12.194  -2.348  15.328
  993    HA   LEU 132           HA       LEU 132  14.260  -0.953  16.696
  994    HB2  LEU 132           HB2      LEU 132  11.922  -2.560  17.745
  995    HB3  LEU 132           HB3      LEU 132  12.987  -1.665  18.810
  996    HG   LEU 132           HG       LEU 132  11.531  -0.299  16.515
  997   HD11  LEU 132          HD11      LEU 132   9.868   0.445  18.171
  998   HD12  LEU 132          HD12      LEU 132   9.870  -1.318  18.042
  999   HD13  LEU 132          HD13      LEU 132  10.656  -0.537  19.429
 1000   HD21  LEU 132          HD23      LEU 132  12.822   0.790  19.050
 1001   HD22  LEU 132          HD21      LEU 132  13.436   0.973  17.393
 1002   HD23  LEU 132          HD22      LEU 132  11.916   1.740  17.852
 1003    H    THR 133           H        THR 133  14.433  -4.225  15.786
 1004    HA   THR 133           HA       THR 133  16.595  -4.673  17.757
 1005    HB   THR 133           HB       THR 133  16.094  -7.097  17.564
 1006    HG1  THR 133           HG1      THR 133  13.644  -6.295  16.430
 1007   HG21  THR 133          HG23      THR 133  15.177  -5.925  19.502
 1008   HG22  THR 133          HG21      THR 133  13.732  -5.450  18.584
 1009   HG23  THR 133          HG22      THR 133  14.030  -7.157  18.930
 1010    H    ALA 134           H        ALA 134  16.287  -3.580  14.772
 1011    HA   ALA 134           HA       ALA 134  17.657  -5.397  13.103
 1012    HB1  ALA 134           HB3      ALA 134  18.084  -3.377  11.694
 1013    HB2  ALA 134           HB1      ALA 134  16.379  -3.638  12.129
 1014    HB3  ALA 134           HB2      ALA 134  17.354  -2.394  12.953
 1015    H    SER 135           H        SER 135  19.645  -6.211  13.602
 1016    HA   SER 135           HA       SER 135  21.601  -4.779  15.129
 1017    HB2  SER 135           HB2      SER 135  21.875  -7.273  13.397
 1018    HB3  SER 135           HB3      SER 135  22.990  -6.750  14.672
 1019    HG   SER 135           HG       SER 135  21.511  -8.351  15.394
 1020    H    SER 136           H        SER 136  20.787  -4.612  11.736
 1021    HA   SER 136           HA       SER 136  23.252  -3.115  11.171
 1022    HB2  SER 136           HB2      SER 136  23.734  -4.534   9.201
 1023    HB3  SER 136           HB3      SER 136  23.833  -5.463  10.702
 1024    HG   SER 136           HG       SER 136  22.661  -6.663   9.269
 1025    H    GLU 137           H        GLU 137  23.167  -2.056   9.100
 1026    HA   GLU 137           HA       GLU 137  20.753  -0.793   8.326
 1027    HB2  GLU 137           HB2      GLU 137  23.219  -0.181   7.908
 1028    HB3  GLU 137           HB3      GLU 137  23.210  -1.382   6.611
 1029    HG2  GLU 137           HG2      GLU 137  21.311  -0.098   5.551
 1030    HG3  GLU 137           HG3      GLU 137  21.490   1.100   6.846
 1031    H    LYS 138           H        LYS 138  22.390  -3.765   7.194
 1032    HA   LYS 138           HA       LYS 138  20.688  -4.322   5.003
 1033    HB2  LYS 138           HB2      LYS 138  22.182  -6.297   6.783
 1034    HB3  LYS 138           HB3      LYS 138  21.522  -6.643   5.191
 1035    HG2  LYS 138           HG2      LYS 138  23.804  -4.714   5.806
 1036    HG3  LYS 138           HG3      LYS 138  23.940  -6.325   5.102
 1037    HD2  LYS 138           HD2      LYS 138  22.598  -5.554   3.129
 1038    HD3  LYS 138           HD3      LYS 138  22.588  -3.911   3.814
 1039    HE2  LYS 138           HE2      LYS 138  25.068  -3.880   3.789
 1040    HE3  LYS 138           HE3      LYS 138  25.087  -5.514   3.113
 1041    HZ1  LYS 138           HZ3      LYS 138  23.943  -3.132   1.771
 1042    HZ2  LYS 138           HZ1      LYS 138  25.357  -3.848   1.396
 1043    HZ3  LYS 138           HZ2      LYS 138  23.960  -4.644   1.148
 1044    H    GLN 139           H        GLN 139  20.366  -5.266   8.476
 1045    HA   GLN 139           HA       GLN 139  18.044  -6.744   8.057
 1046    HB2  GLN 139           HB2      GLN 139  19.691  -6.282  10.175
 1047    HB3  GLN 139           HB3      GLN 139  18.331  -5.246  10.629
 1048    HG2  GLN 139           HG2      GLN 139  16.807  -7.181  10.206
 1049    HG3  GLN 139           HG3      GLN 139  18.244  -8.161   9.834
 1050   HE21  GLN 139          HE22      GLN 139  16.025  -7.967  12.187
 1051   HE22  GLN 139          HE21      GLN 139  17.013  -8.153  13.612
 1052    H    LEU 140           H        LEU 140  18.402  -3.160   8.540
 1053    HA   LEU 140           HA       LEU 140  15.576  -2.700   8.882
 1054    HB2  LEU 140           HB2      LEU 140  17.918  -1.004   8.028
 1055    HB3  LEU 140           HB3      LEU 140  16.285  -0.382   7.930
 1056    HG   LEU 140           HG       LEU 140  17.549  -1.350  10.509
 1057   HD11  LEU 140          HD11      LEU 140  17.831   1.026  11.033
 1058   HD12  LEU 140          HD12      LEU 140  18.687   0.643   9.538
 1059   HD13  LEU 140          HD13      LEU 140  17.138   1.491   9.478
 1060   HD21  LEU 140          HD23      LEU 140  15.790  -0.189  11.673
 1061   HD22  LEU 140          HD21      LEU 140  14.989   0.171  10.132
 1062   HD23  LEU 140          HD22      LEU 140  15.185  -1.517  10.700
 1063    H    ALA 141           H        ALA 141  17.752  -2.523   6.029
 1064    HA   ALA 141           HA       ALA 141  15.842  -2.228   4.010
 1065    HB1  ALA 141           HB3      ALA 141  17.544  -3.058   2.499
 1066    HB2  ALA 141           HB1      ALA 141  18.351  -2.093   3.754
 1067    HB3  ALA 141           HB2      ALA 141  18.407  -3.864   3.822
 1068    H    ASP 142           H        ASP 142  16.867  -5.302   5.549
 1069    HA   ASP 142           HA       ASP 142  15.485  -7.038   3.797
 1070    HB2  ASP 142           HB2      ASP 142  17.101  -7.973   5.255
 1071    HB3  ASP 142           HB3      ASP 142  16.378  -7.232   6.675
 1072    H    ILE 143           H        ILE 143  14.365  -5.287   6.748
 1073    HA   ILE 143           HA       ILE 143  11.760  -6.439   6.709
 1074    HB   ILE 143           HB       ILE 143  12.970  -3.997   8.040
 1075   HG12  ILE 143          HG12      ILE 143  12.227  -6.620   9.392
 1076   HG13  ILE 143          HG13      ILE 143  13.787  -6.481   8.599
 1077   HG21  ILE 143          HG21      ILE 143  10.299  -5.381   8.464
 1078   HG22  ILE 143          HG22      ILE 143  11.009  -4.227   9.609
 1079   HG23  ILE 143          HG23      ILE 143  10.590  -3.695   7.971
 1080   HD11  ILE 143          HD13      ILE 143  12.797  -4.749  10.866
 1081   HD12  ILE 143          HD11      ILE 143  14.104  -5.952  10.905
 1082   HD13  ILE 143          HD12      ILE 143  14.312  -4.462   9.980
 1083    H    ILE 144           H        ILE 144  13.188  -3.483   5.279
 1084    HA   ILE 144           HA       ILE 144  10.766  -2.432   4.167
 1085    HB   ILE 144           HB       ILE 144  13.652  -2.338   3.187
 1086   HG12  ILE 144          HG12      ILE 144  13.358  -1.014   5.142
 1087   HG13  ILE 144          HG13      ILE 144  13.502   0.068   3.763
 1088   HG21  ILE 144          HG21      ILE 144  13.003  -0.546   1.592
 1089   HG22  ILE 144          HG22      ILE 144  12.429  -2.147   1.143
 1090   HG23  ILE 144          HG23      ILE 144  11.301  -0.979   1.846
 1091   HD11  ILE 144          HD13      ILE 144  11.745   0.990   5.012
 1092   HD12  ILE 144          HD11      ILE 144  10.887   0.080   3.760
 1093   HD13  ILE 144          HD12      ILE 144  11.074  -0.600   5.398
 1094    H    SER 145           H        SER 145  12.991  -4.929   2.976
 1095    HA   SER 145           HA       SER 145  11.866  -5.061   0.421
 1096    HB2  SER 145           HB2      SER 145  13.417  -7.210   1.938
 1097    HB3  SER 145           HB3      SER 145  13.167  -7.154   0.187
 1098    HG   SER 145           HG       SER 145  14.565  -5.248   1.792
 1099    H    ARG 146           H        ARG 146  10.667  -6.547   3.391
 1100    HA   ARG 146           HA       ARG 146   9.153  -8.639   2.160
 1101    HB2  ARG 146           HB2      ARG 146   8.110  -7.227   4.627
 1102    HB3  ARG 146           HB3      ARG 146   8.027  -8.933   4.185
 1103    HG2  ARG 146           HG2      ARG 146  10.573  -8.918   4.520
 1104    HG3  ARG 146           HG3      ARG 146  10.314  -7.321   5.267
 1105    HD2  ARG 146           HD2      ARG 146   8.629  -8.387   6.810
 1106    HD3  ARG 146           HD3      ARG 146   9.106  -9.974   6.193
 1107    HE   ARG 146           HE       ARG 146  10.227  -8.741   8.357
 1108   HH11  ARG 146          HH11      ARG 146  11.712  -9.974   5.343
 1109   HH12  ARG 146          HH12      ARG 146  13.310  -9.965   6.018
 1110   HH21  ARG 146          HH21      ARG 146  12.223  -9.014   9.246
 1111   HH22  ARG 146          HH22      ARG 146  13.614  -9.385   8.210
 1112    H    GLY 147           H        GLY 147   8.640  -5.213   2.674
 1113    HA2  GLY 147           HA2      GLY 147   5.847  -5.181   2.811
 1114    HA3  GLY 147           HA3      GLY 147   6.922  -3.816   2.472
  Start of MODEL   15
    1    H    MET   1           H1       MET   1   1.782  -0.747  -0.693
    2    HA   MET   1           HA       MET   1   2.431  -1.370  -3.502
    3    HB2  MET   1           HB2      MET   1   2.095   1.203  -2.878
    4    HB3  MET   1           HB3      MET   1   3.603   0.987  -1.951
    5    HG2  MET   1           HG2      MET   1   3.855   1.952  -4.253
    6    HG3  MET   1           HG3      MET   1   4.874   0.574  -3.883
    7    HE1  MET   1           HE3      MET   1   4.592   1.674  -6.778
    8    HE2  MET   1           HE1      MET   1   5.547   0.234  -6.358
    9    HE3  MET   1           HE2      MET   1   4.392   0.173  -7.709
   10    H    ARG   2           H        ARG   2   4.617  -1.746  -3.940
   11    HA   ARG   2           HA       ARG   2   5.918  -3.189  -1.820
   12    HB2  ARG   2           HB2      ARG   2   6.974  -2.245  -4.524
   13    HB3  ARG   2           HB3      ARG   2   7.860  -3.319  -3.424
   14    HG2  ARG   2           HG2      ARG   2   5.120  -3.898  -4.592
   15    HG3  ARG   2           HG3      ARG   2   6.623  -4.517  -5.274
   16    HD2  ARG   2           HD2      ARG   2   5.887  -5.065  -2.382
   17    HD3  ARG   2           HD3      ARG   2   5.113  -5.950  -3.672
   18    HE   ARG   2           HE       ARG   2   7.231  -6.810  -4.410
   19   HH11  ARG   2          HH21      ARG   2   7.445  -5.313  -1.112
   20   HH12  ARG   2          HH22      ARG   2   8.816  -6.281  -0.710
   21   HH21  ARG   2          HH11      ARG   2   9.075  -7.985  -3.759
   22   HH22  ARG   2          HH12      ARG   2   9.746  -7.756  -2.185
   23    H    LEU   3           H        LEU   3   6.823  -2.330  -0.218
   24    HA   LEU   3           HA       LEU   3   7.143   0.463   0.233
   25    HB2  LEU   3           HB2      LEU   3   8.286  -2.030   1.504
   26    HB3  LEU   3           HB3      LEU   3   8.962  -0.470   1.942
   27    HG   LEU   3           HG       LEU   3   7.194  -1.377   3.486
   28   HD11  LEU   3          HD11      LEU   3   7.915   0.966   3.466
   29   HD12  LEU   3          HD12      LEU   3   6.677   1.361   2.252
   30   HD13  LEU   3          HD13      LEU   3   6.210   0.808   3.881
   31   HD21  LEU   3          HD23      LEU   3   5.583  -2.204   1.758
   32   HD22  LEU   3          HD21      LEU   3   4.857  -1.144   2.970
   33   HD23  LEU   3          HD22      LEU   3   5.208  -0.534   1.345
   34    H    SER   4           H        SER   4   9.507  -2.016  -0.794
   35    HA   SER   4           HA       SER   4  11.806  -0.622  -0.951
   36    HB2  SER   4           HB2      SER   4  11.105  -2.504  -3.189
   37    HB3  SER   4           HB3      SER   4  12.561  -2.447  -2.181
   38    HG   SER   4           HG       SER   4  11.147  -4.243  -1.784
   39    H    ASP   5           H        ASP   5   9.034  -0.160  -3.155
   40    HA   ASP   5           HA       ASP   5  10.461   0.916  -5.368
   41    HB2  ASP   5           HB2      ASP   5   8.086   0.225  -5.441
   42    HB3  ASP   5           HB3      ASP   5   7.665   1.572  -4.375
   43    H    TYR   6           H        TYR   6   9.617   2.304  -2.243
   44    HA   TYR   6           HA       TYR   6  10.002   5.066  -3.172
   45    HB2  TYR   6           HB2      TYR   6   9.159   3.852  -0.522
   46    HB3  TYR   6           HB3      TYR   6   9.309   5.581  -0.809
   47    HD1  TYR   6           HD1      TYR   6   7.767   6.848  -2.091
   48    HD2  TYR   6           HD2      TYR   6   7.119   2.611  -1.417
   49    HE1  TYR   6           HE1      TYR   6   5.501   7.033  -3.071
   50    HE2  TYR   6           HE2      TYR   6   4.844   2.842  -2.285
   51    HH   TYR   6           HH       TYR   6   3.532   5.906  -3.611
   52    H    PHE   7           H        PHE   7  12.124   2.645  -1.829
   53    HA   PHE   7           HA       PHE   7  13.722   4.705  -0.381
   54    HB2  PHE   7           HB2      PHE   7  13.816   1.682  -0.234
   55    HB3  PHE   7           HB3      PHE   7  14.903   2.775   0.608
   56    HD1  PHE   7           HD2      PHE   7  11.363   1.721   0.305
   57    HD2  PHE   7           HD1      PHE   7  14.245   3.800   2.727
   58    HE1  PHE   7           HE2      PHE   7   9.641   2.041   2.054
   59    HE2  PHE   7           HE1      PHE   7  12.525   4.069   4.500
   60    HZ   PHE   7           HZ       PHE   7  10.235   3.210   4.171
   61    HA   PRO   8           HA       PRO   8  16.129   4.518  -4.217
   62    HB2  PRO   8           HB2      PRO   8  18.141   6.318  -3.550
   63    HB3  PRO   8           HB3      PRO   8  16.530   6.724  -4.188
   64    HG2  PRO   8           HG2      PRO   8  17.424   6.687  -1.299
   65    HG3  PRO   8           HG3      PRO   8  16.455   7.936  -2.137
   66    HD2  PRO   8           HD2      PRO   8  15.264   6.073  -0.606
   67    HD3  PRO   8           HD3      PRO   8  14.524   6.556  -2.153
   68    H    GLU   9           H        GLU   9  18.527   4.897  -1.596
   69    HA   GLU   9           HA       GLU   9  19.468   2.187  -1.705
   70    HB2  GLU   9           HB2      GLU   9  20.352   3.077  -3.910
   71    HB3  GLU   9           HB3      GLU   9  21.161   4.349  -3.015
   72    HG2  GLU   9           HG2      GLU   9  22.817   2.693  -3.460
   73    HG3  GLU   9           HG3      GLU   9  22.422   2.511  -1.754
   74    H    SER  10           H        SER  10  21.179   5.274  -1.271
   75    HA   SER  10           HA       SER  10  22.316   4.578   1.204
   76    HB2  SER  10           HB2      SER  10  21.768   7.438   0.381
   77    HB3  SER  10           HB3      SER  10  23.205   6.773   1.169
   78    HG   SER  10           HG       SER  10  23.770   5.800  -0.798
   79    H    SER  11           H        SER  11  19.141   4.733   0.821
   80    HA   SER  11           HA       SER  11  18.208   6.837   2.542
   81    HB2  SER  11           HB2      SER  11  16.077   5.189   2.137
   82    HB3  SER  11           HB3      SER  11  16.646   6.414   1.006
   83    HG   SER  11           HG       SER  11  17.030   3.610   0.905
   84    H    ILE  12           H        ILE  12  19.635   3.823   3.363
   85    HA   ILE  12           HA       ILE  12  17.931   3.505   5.757
   86    HB   ILE  12           HB       ILE  12  19.411   1.522   4.015
   87   HG12  ILE  12          HG12      ILE  12  16.488   2.355   4.267
   88   HG13  ILE  12          HG13      ILE  12  17.499   2.329   2.830
   89   HG21  ILE  12          HG21      ILE  12  18.333  -0.147   5.560
   90   HG22  ILE  12          HG22      ILE  12  19.501   0.891   6.343
   91   HG23  ILE  12          HG23      ILE  12  17.784   1.221   6.572
   92   HD11  ILE  12          HD13      ILE  12  15.922   0.537   2.758
   93   HD12  ILE  12          HD11      ILE  12  17.581  -0.104   2.918
   94   HD13  ILE  12          HD12      ILE  12  16.482  -0.062   4.330
   95    H    SER  13           H        SER  13  18.984   3.890   7.649
   96    HA   SER  13           HA       SER  13  21.901   3.477   7.793
   97    HB2  SER  13           HB2      SER  13  20.478   6.047   8.639
   98    HB3  SER  13           HB3      SER  13  22.208   5.707   8.807
   99    HG   SER  13           HG       SER  13  21.738   6.998   6.972
  100    H    VAL  14           H        VAL  14  22.708   3.136   9.852
  101    HA   VAL  14           HA       VAL  14  20.819   3.130  12.154
  102    HB   VAL  14           HB       VAL  14  22.961   1.077  11.475
  103   HG11  VAL  14          HG11      VAL  14  23.014   1.489  13.897
  104   HG12  VAL  14          HG12      VAL  14  21.247   1.326  13.996
  105   HG13  VAL  14          HG13      VAL  14  22.263  -0.074  13.587
  106   HG21  VAL  14          HG23      VAL  14  20.759   0.677  10.331
  107   HG22  VAL  14          HG21      VAL  14  21.139  -0.577  11.516
  108   HG23  VAL  14          HG22      VAL  14  19.966   0.689  11.916
  109    H    ILE  15           H        ILE  15  21.687   4.142  13.916
  110    HA   ILE  15           HA       ILE  15  24.482   5.128  13.863
  111    HB   ILE  15           HB       ILE  15  21.869   6.652  13.655
  112   HG12  ILE  15          HG12      ILE  15  24.671   6.925  12.519
  113   HG13  ILE  15          HG13      ILE  15  23.173   6.522  11.678
  114   HG21  ILE  15          HG21      ILE  15  24.259   7.855  15.093
  115   HG22  ILE  15          HG22      ILE  15  22.724   8.663  14.673
  116   HG23  ILE  15          HG23      ILE  15  22.701   7.372  15.830
  117   HD11  ILE  15          HD13      ILE  15  23.782   8.802  11.148
  118   HD12  ILE  15          HD11      ILE  15  22.346   8.868  12.198
  119   HD13  ILE  15          HD12      ILE  15  23.958   9.227  12.860
  120    H    HIS  16           H        HIS  16  25.261   5.554  16.026
  121    HA   HIS  16           HA       HIS  16  24.019   3.898  18.025
  122    HB2  HIS  16           HB2      HIS  16  26.496   4.396  17.793
  123    HB3  HIS  16           HB3      HIS  16  26.176   5.996  18.470
  124    HD1  HIS  16           HD1      HIS  16  25.464   2.292  19.478
  125    HD2  HIS  16           HD2      HIS  16  26.451   6.070  21.082
  126    HE1  HIS  16           HE1      HIS  16  25.813   1.949  21.990
  127    H    SER  17           H        SER  17  24.255   7.456  17.514
  128    HA   SER  17           HA       SER  17  21.760   7.976  18.819
  129    HB2  SER  17           HB2      SER  17  22.952   9.661  20.423
  130    HB3  SER  17           HB3      SER  17  22.763   7.973  20.907
  131    HG   SER  17           HG       SER  17  24.875   8.778  21.310
  132    H    ALA  18           H        ALA  18  21.164  10.239  18.213
  133    HA   ALA  18           HA       ALA  18  22.819  11.338  16.034
  134    HB1  ALA  18           HB3      ALA  18  21.068  12.911  15.652
  135    HB2  ALA  18           HB1      ALA  18  20.251  11.370  15.953
  136    HB3  ALA  18           HB2      ALA  18  20.333  12.618  17.228
  137    H    LYS  19           H        LYS  19  23.539  13.588  16.166
  138    HA   LYS  19           HA       LYS  19  24.914  14.312  18.538
  139    HB2  LYS  19           HB2      LYS  19  25.485  15.000  16.252
  140    HB3  LYS  19           HB3      LYS  19  24.037  15.970  16.150
  141    HG2  LYS  19           HG2      LYS  19  25.986  16.507  18.405
  142    HG3  LYS  19           HG3      LYS  19  26.435  17.012  16.781
  143    HD2  LYS  19           HD2      LYS  19  23.810  17.835  18.073
  144    HD3  LYS  19           HD3      LYS  19  25.297  18.775  18.217
  145    HE2  LYS  19           HE2      LYS  19  25.423  19.161  15.849
  146    HE3  LYS  19           HE3      LYS  19  24.157  17.977  15.511
  147    HZ1  LYS  19           HZ3      LYS  19  23.329  20.247  15.408
  148    HZ2  LYS  19           HZ1      LYS  19  22.553  19.389  16.568
  149    HZ3  LYS  19           HZ2      LYS  19  23.699  20.503  16.977
  150    H    ASP  20           H        ASP  20  21.726  15.307  17.300
  151    HA   ASP  20           HA       ASP  20  20.505  15.602  19.849
  152    HB2  ASP  20           HB2      ASP  20  20.149  17.830  20.085
  153    HB3  ASP  20           HB3      ASP  20  21.857  17.866  19.640
  154    H    TRP  21           H        TRP  21  18.366  16.808  19.441
  155    HA   TRP  21           HA       TRP  21  16.937  15.210  17.655
  156    HB2  TRP  21           HB2      TRP  21  15.172  17.125  18.400
  157    HB3  TRP  21           HB3      TRP  21  15.642  15.758  19.400
  158    HD1  TRP  21           HD1      TRP  21  16.357  19.452  18.963
  159    HE1  TRP  21           HE1      TRP  21  17.229  20.497  21.121
  160    HE3  TRP  21           HE3      TRP  21  17.165  15.171  21.570
  161    HZ2  TRP  21           HZ2      TRP  21  18.330  19.543  23.635
  162    HZ3  TRP  21           HZ3      TRP  21  18.270  15.239  23.787
  163    HH2  TRP  21           HH2      TRP  21  18.841  17.420  24.837
  164    H    GLN  22           H        GLN  22  18.246  18.551  17.173
  165    HA   GLN  22           HA       GLN  22  16.845  19.065  14.651
  166    HB2  GLN  22           HB2      GLN  22  19.545  20.029  15.661
  167    HB3  GLN  22           HB3      GLN  22  18.723  20.600  14.225
  168    HG2  GLN  22           HG2      GLN  22  17.571  20.844  17.042
  169    HG3  GLN  22           HG3      GLN  22  18.495  22.094  16.223
  170   HE21  GLN  22          HE22      GLN  22  15.338  20.620  16.516
  171   HE22  GLN  22          HE21      GLN  22  14.538  21.657  15.367
  172    H    GLU  23           H        GLU  23  20.100  17.649  15.530
  173    HA   GLU  23           HA       GLU  23  20.828  16.987  12.892
  174    HB2  GLU  23           HB2      GLU  23  22.211  16.921  15.115
  175    HB3  GLU  23           HB3      GLU  23  21.541  15.293  15.299
  176    HG2  GLU  23           HG2      GLU  23  23.541  14.828  14.234
  177    HG3  GLU  23           HG3      GLU  23  22.467  14.895  12.864
  178    H    ALA  24           H        ALA  24  18.894  15.166  15.238
  179    HA   ALA  24           HA       ALA  24  18.839  12.691  13.885
  180    HB1  ALA  24           HB3      ALA  24  16.985  12.180  15.353
  181    HB2  ALA  24           HB1      ALA  24  18.173  13.171  16.242
  182    HB3  ALA  24           HB2      ALA  24  16.671  13.906  15.641
  183    H    ILE  25           H        ILE  25  16.952  15.670  13.338
  184    HA   ILE  25           HA       ILE  25  15.121  14.442  11.437
  185    HB   ILE  25           HB       ILE  25  15.939  17.354  11.685
  186   HG12  ILE  25          HG12      ILE  25  14.558  15.864  13.665
  187   HG13  ILE  25          HG13      ILE  25  14.852  17.591  13.578
  188   HG21  ILE  25          HG21      ILE  25  13.836  17.803  10.495
  189   HG22  ILE  25          HG22      ILE  25  14.873  16.779   9.544
  190   HG23  ILE  25          HG23      ILE  25  13.503  16.055  10.390
  191   HD11  ILE  25          HD13      ILE  25  12.517  17.116  13.991
  192   HD12  ILE  25          HD11      ILE  25  12.688  17.883  12.403
  193   HD13  ILE  25          HD12      ILE  25  12.417  16.123  12.527
  194    H    ASP  26           H        ASP  26  18.209  16.333  11.223
  195    HA   ASP  26           HA       ASP  26  18.396  16.323   8.402
  196    HB2  ASP  26           HB2      ASP  26  19.849  17.718   9.762
  197    HB3  ASP  26           HB3      ASP  26  20.624  16.297  10.466
  198    H    PHE  27           H        PHE  27  19.643  13.911  10.781
  199    HA   PHE  27           HA       PHE  27  20.594  12.113   8.791
  200    HB2  PHE  27           HB2      PHE  27  19.884  11.843  11.725
  201    HB3  PHE  27           HB3      PHE  27  20.272  10.424  10.769
  202    HD1  PHE  27           HD2      PHE  27  22.431  10.871   9.105
  203    HD2  PHE  27           HD1      PHE  27  21.829  12.596  13.041
  204    HE1  PHE  27           HE2      PHE  27  24.871  11.160   9.368
  205    HE2  PHE  27           HE1      PHE  27  24.265  12.799  13.296
  206    HZ   PHE  27           HZ       PHE  27  25.797  12.115  11.470
  207    H    SER  28           H        SER  28  17.292  12.633  10.051
  208    HA   SER  28           HA       SER  28  16.215  10.220   8.895
  209    HB2  SER  28           HB2      SER  28  14.803  12.826   9.660
  210    HB3  SER  28           HB3      SER  28  14.001  11.348   9.189
  211    HG   SER  28           HG       SER  28  15.752  11.757  11.406
  212    H    MET  29           H        MET  29  17.035  13.425   7.520
  213    HA   MET  29           HA       MET  29  15.537  12.649   5.063
  214    HB2  MET  29           HB2      MET  29  16.427  15.400   5.828
  215    HB3  MET  29           HB3      MET  29  15.192  14.916   4.671
  216    HG2  MET  29           HG2      MET  29  15.015  15.613   7.474
  217    HG3  MET  29           HG3      MET  29  13.850  15.776   6.196
  218    HE1  MET  29           HE3      MET  29  12.110  13.640   5.530
  219    HE2  MET  29           HE1      MET  29  13.421  12.428   5.534
  220    HE3  MET  29           HE2      MET  29  12.008  12.203   6.580
  221    H    VAL  30           H        VAL  30  18.848  13.222   6.096
  222    HA   VAL  30           HA       VAL  30  19.778  14.653   3.965
  223    HB   VAL  30           HB       VAL  30  21.089  14.261   5.949
  224   HG11  VAL  30          HG11      VAL  30  21.636  11.427   4.959
  225   HG12  VAL  30          HG12      VAL  30  22.325  12.210   6.394
  226   HG13  VAL  30          HG13      VAL  30  20.596  11.842   6.340
  227   HG21  VAL  30          HG23      VAL  30  22.601  13.274   3.498
  228   HG22  VAL  30          HG21      VAL  30  22.223  14.965   3.862
  229   HG23  VAL  30          HG22      VAL  30  23.289  14.047   4.943
  230    H    SER  31           H        SER  31  19.423  11.048   3.960
  231    HA   SER  31           HA       SER  31  20.729  10.689   1.502
  232    HB2  SER  31           HB2      SER  31  18.405   9.051   2.574
  233    HB3  SER  31           HB3      SER  31  19.730   8.505   1.524
  234    HG   SER  31           HG       SER  31  20.487   7.922   3.421
  235    H    LEU  32           H        LEU  32  17.583  12.026   2.162
  236    HA   LEU  32           HA       LEU  32  16.567  11.645  -0.579
  237    HB2  LEU  32           HB2      LEU  32  15.464  13.084   1.881
  238    HB3  LEU  32           HB3      LEU  32  14.638  13.034   0.353
  239    HG   LEU  32           HG       LEU  32  15.405  10.537   1.929
  240   HD11  LEU  32          HD11      LEU  32  12.772  12.050   1.839
  241   HD12  LEU  32          HD12      LEU  32  13.005  10.432   2.542
  242   HD13  LEU  32          HD13      LEU  32  13.839  11.827   3.233
  243   HD21  LEU  32          HD23      LEU  32  15.110  10.070  -0.470
  244   HD22  LEU  32          HD21      LEU  32  13.781   9.419   0.460
  245   HD23  LEU  32          HD22      LEU  32  13.545  10.918  -0.458
  246    H    LEU  33           H        LEU  33  17.837  14.219   1.583
  247    HA   LEU  33           HA       LEU  33  17.640  16.403  -0.150
  248    HB2  LEU  33           HB2      LEU  33  18.247  16.420   2.248
  249    HB3  LEU  33           HB3      LEU  33  19.819  15.764   1.879
  250    HG   LEU  33           HG       LEU  33  19.778  18.150   2.398
  251   HD11  LEU  33          HD11      LEU  33  21.611  17.143   1.016
  252   HD12  LEU  33          HD12      LEU  33  20.808  17.804  -0.429
  253   HD13  LEU  33          HD13      LEU  33  21.386  18.890   0.835
  254   HD21  LEU  33          HD23      LEU  33  17.651  18.780   1.304
  255   HD22  LEU  33          HD21      LEU  33  18.995  19.826   0.821
  256   HD23  LEU  33          HD22      LEU  33  18.411  18.571  -0.290
  257    H    ASP  34           H        ASP  34  20.315  14.123   0.332
  258    HA   ASP  34           HA       ASP  34  22.162  15.055  -1.498
  259    HB2  ASP  34           HB2      ASP  34  22.612  13.265   0.200
  260    HB3  ASP  34           HB3      ASP  34  21.460  12.198  -0.620
  261    H    LYS  35           H        LYS  35  19.354  13.167  -2.197
  262    HA   LYS  35           HA       LYS  35  20.284  12.833  -5.031
  263    HB2  LYS  35           HB2      LYS  35  18.279  11.181  -3.541
  264    HB3  LYS  35           HB3      LYS  35  18.891  10.939  -5.199
  265    HG2  LYS  35           HG2      LYS  35  21.254  10.940  -4.106
  266    HG3  LYS  35           HG3      LYS  35  20.391  10.807  -2.553
  267    HD2  LYS  35           HD2      LYS  35  19.124   8.879  -3.897
  268    HD3  LYS  35           HD3      LYS  35  20.656   8.898  -4.807
  269    HE2  LYS  35           HE2      LYS  35  20.294   8.732  -1.781
  270    HE3  LYS  35           HE3      LYS  35  20.599   7.308  -2.799
  271    HZ1  LYS  35           HZ3      LYS  35  22.676   8.004  -1.857
  272    HZ2  LYS  35           HZ1      LYS  35  22.739   8.351  -3.442
  273    HZ3  LYS  35           HZ2      LYS  35  22.506   9.568  -2.364
  274    H    ASN  36           H        ASN  36  19.015  15.169  -3.625
  275    HA   ASN  36           HA       ASN  36  17.569  16.806  -4.170
  276    HB2  ASN  36           HB2      ASN  36  18.911  16.294  -6.366
  277    HB3  ASN  36           HB3      ASN  36  17.393  15.638  -6.974
  278   HD21  ASN  36          HD22      ASN  36  18.725  18.466  -5.276
  279   HD22  ASN  36          HD21      ASN  36  17.770  19.680  -6.107
  280    H    TYR  37           H        TYR  37  16.299  14.251  -3.172
  281    HA   TYR  37           HA       TYR  37  13.633  14.219  -4.377
  282    HB2  TYR  37           HB2      TYR  37  14.775  13.159  -1.775
  283    HB3  TYR  37           HB3      TYR  37  13.071  13.087  -2.143
  284    HD1  TYR  37           HD2      TYR  37  12.168  11.627  -3.855
  285    HD2  TYR  37           HD1      TYR  37  16.358  11.488  -2.783
  286    HE1  TYR  37           HE2      TYR  37  12.451   9.559  -5.191
  287    HE2  TYR  37           HE1      TYR  37  16.618   9.421  -4.092
  288    HH   TYR  37           HH       TYR  37  13.913   7.913  -5.911
  289    H    ILE  38           H        ILE  38  15.365  16.205  -2.079
  290    HA   ILE  38           HA       ILE  38  12.995  17.890  -1.627
  291    HB   ILE  38           HB       ILE  38  13.454  17.959   0.801
  292   HG12  ILE  38          HG12      ILE  38  15.411  15.697   0.253
  293   HG13  ILE  38          HG13      ILE  38  15.849  17.350   0.706
  294   HG21  ILE  38          HG21      ILE  38  12.974  15.076  -0.042
  295   HG22  ILE  38          HG22      ILE  38  12.428  15.879   1.439
  296   HG23  ILE  38          HG23      ILE  38  11.751  16.362  -0.107
  297   HD11  ILE  38          HD13      ILE  38  14.793  17.049   2.898
  298   HD12  ILE  38          HD11      ILE  38  14.398  15.358   2.471
  299   HD13  ILE  38          HD12      ILE  38  16.085  15.876   2.569
  300    H    SER  39           H        SER  39  13.794  19.849  -0.282
  301    HA   SER  39           HA       SER  39  16.455  20.827  -1.216
  302    HB2  SER  39           HB2      SER  39  14.056  22.524  -0.445
  303    HB3  SER  39           HB3      SER  39  15.469  22.989  -1.406
  304    HG   SER  39           HG       SER  39  13.351  21.223  -2.126
  305    H    GLU  40           H        GLU  40  17.563  22.269   0.455
  306    HA   GLU  40           HA       GLU  40  17.664  21.057   2.919
  307    HB2  GLU  40           HB2      GLU  40  19.205  22.800   1.562
  308    HB3  GLU  40           HB3      GLU  40  18.463  23.953   2.682
  309    HG2  GLU  40           HG2      GLU  40  19.168  22.421   4.570
  310    HG3  GLU  40           HG3      GLU  40  19.932  21.381   3.357
  311    H    ASN  41           H        ASN  41  15.646  23.837   2.026
  312    HA   ASN  41           HA       ASN  41  14.794  24.652   4.608
  313    HB2  ASN  41           HB2      ASN  41  14.238  25.881   2.523
  314    HB3  ASN  41           HB3      ASN  41  13.212  24.545   1.987
  315   HD21  ASN  41          HD22      ASN  41  11.088  24.251   2.995
  316   HD22  ASN  41          HD21      ASN  41  10.443  25.486   4.049
  317    H    TYR  42           H        TYR  42  13.870  21.779   2.714
  318    HA   TYR  42           HA       TYR  42  11.410  21.195   4.016
  319    HB2  TYR  42           HB2      TYR  42  12.312  20.201   1.882
  320    HB3  TYR  42           HB3      TYR  42  13.479  19.296   2.842
  321    HD1  TYR  42           HD1      TYR  42   9.920  19.680   2.000
  322    HD2  TYR  42           HD2      TYR  42  12.842  17.347   4.145
  323    HE1  TYR  42           HE1      TYR  42   8.322  17.771   2.117
  324    HE2  TYR  42           HE2      TYR  42  11.255  15.455   4.293
  325    HH   TYR  42           HH       TYR  42   9.178  14.605   3.595
  326    H    ILE  43           H        ILE  43  14.810  20.212   4.718
  327    HA   ILE  43           HA       ILE  43  14.211  18.582   6.974
  328    HB   ILE  43           HB       ILE  43  16.730  20.177   6.264
  329   HG12  ILE  43          HG12      ILE  43  17.335  17.526   5.855
  330   HG13  ILE  43          HG13      ILE  43  15.631  17.531   5.395
  331   HG21  ILE  43          HG21      ILE  43  16.397  17.845   8.202
  332   HG22  ILE  43          HG22      ILE  43  17.913  18.682   7.791
  333   HG23  ILE  43          HG23      ILE  43  16.644  19.539   8.671
  334   HD11  ILE  43          HD13      ILE  43  17.832  19.295   4.259
  335   HD12  ILE  43          HD11      ILE  43  17.107  17.879   3.485
  336   HD13  ILE  43          HD12      ILE  43  16.121  19.327   3.743
  337    H    GLN  44           H        GLN  44  15.041  22.109   6.700
  338    HA   GLN  44           HA       GLN  44  14.799  22.411   9.525
  339    HB2  GLN  44           HB2      GLN  44  16.157  23.871   7.902
  340    HB3  GLN  44           HB3      GLN  44  14.653  24.733   7.603
  341    HG2  GLN  44           HG2      GLN  44  15.968  25.866   9.357
  342    HG3  GLN  44           HG3      GLN  44  14.491  25.240  10.063
  343   HE21  GLN  44          HE22      GLN  44  14.908  24.419  12.151
  344   HE22  GLN  44          HE21      GLN  44  16.292  23.454  12.603
  345    H    ALA  45           H        ALA  45  12.341  22.527   7.000
  346    HA   ALA  45           HA       ALA  45  10.331  23.847   8.491
  347    HB1  ALA  45           HB3      ALA  45  10.139  23.313   6.061
  348    HB2  ALA  45           HB1      ALA  45   9.972  21.584   6.464
  349    HB3  ALA  45           HB2      ALA  45   8.741  22.731   6.991
  350    H    ILE  46           H        ILE  46  11.317  20.358   8.410
  351    HA   ILE  46           HA       ILE  46   9.209  19.528  10.201
  352    HB   ILE  46           HB       ILE  46  11.906  18.225   9.682
  353   HG12  ILE  46          HG12      ILE  46   9.307  17.606   8.262
  354   HG13  ILE  46          HG13      ILE  46  10.588  18.571   7.558
  355   HG21  ILE  46          HG21      ILE  46   9.276  16.969  10.607
  356   HG22  ILE  46          HG22      ILE  46  10.875  16.191  10.542
  357   HG23  ILE  46          HG23      ILE  46  10.560  17.463  11.717
  358   HD11  ILE  46          HD13      ILE  46  10.861  15.654   8.344
  359   HD12  ILE  46          HD11      ILE  46  10.763  16.326   6.710
  360   HD13  ILE  46          HD12      ILE  46  12.169  16.690   7.730
  361    H    LYS  47           H        LYS  47  12.709  20.417  10.580
  362    HA   LYS  47           HA       LYS  47  12.847  19.957  13.345
  363    HB2  LYS  47           HB2      LYS  47  14.201  21.975  11.520
  364    HB3  LYS  47           HB3      LYS  47  14.636  21.835  13.205
  365    HG2  LYS  47           HG2      LYS  47  15.555  19.641  12.910
  366    HG3  LYS  47           HG3      LYS  47  14.893  19.518  11.266
  367    HD2  LYS  47           HD2      LYS  47  16.296  21.279  10.464
  368    HD3  LYS  47           HD3      LYS  47  16.879  21.644  12.098
  369    HE2  LYS  47           HE2      LYS  47  18.091  19.567  12.196
  370    HE3  LYS  47           HE3      LYS  47  17.491  19.075  10.610
  371    HZ1  LYS  47           HZ3      LYS  47  19.183  21.472  11.146
  372    HZ2  LYS  47           HZ1      LYS  47  19.730  20.078  10.509
  373    HZ3  LYS  47           HZ2      LYS  47  18.681  21.008   9.671
  374    H    ASP  48           H        ASP  48  11.881  22.964  11.600
  375    HA   ASP  48           HA       ASP  48  11.556  24.588  13.903
  376    HB2  ASP  48           HB2      ASP  48  11.828  25.522  11.674
  377    HB3  ASP  48           HB3      ASP  48  10.343  24.740  11.120
  378    H    SER  49           H        SER  49   9.246  22.518  12.082
  379    HA   SER  49           HA       SER  49   6.926  23.172  13.620
  380    HB2  SER  49           HB2      SER  49   7.639  20.559  12.212
  381    HB3  SER  49           HB3      SER  49   6.024  21.109  12.677
  382    HG   SER  49           HG       SER  49   7.761  22.183  10.718
  383    H    THR  50           H        THR  50   9.503  20.734  14.040
  384    HA   THR  50           HA       THR  50   8.438  19.498  16.349
  385    HB   THR  50           HB       THR  50  11.323  19.685  15.400
  386    HG1  THR  50           HG1      THR  50  10.046  18.866  13.782
  387   HG21  THR  50          HG23      THR  50  11.161  18.727  17.675
  388   HG22  THR  50          HG21      THR  50   9.925  17.584  17.092
  389   HG23  THR  50          HG22      THR  50  11.582  17.499  16.468
  390    H    ILE  51           H        ILE  51  10.591  22.370  15.996
  391    HA   ILE  51           HA       ILE  51  10.923  22.781  18.832
  392    HB   ILE  51           HB       ILE  51  11.184  24.568  16.385
  393   HG12  ILE  51          HG12      ILE  51  13.324  23.560  18.313
  394   HG13  ILE  51          HG13      ILE  51  12.851  22.660  16.882
  395   HG21  ILE  51          HG21      ILE  51  10.579  26.070  18.235
  396   HG22  ILE  51          HG22      ILE  51  11.827  25.334  19.267
  397   HG23  ILE  51          HG23      ILE  51  12.268  26.278  17.829
  398   HD11  ILE  51          HD13      ILE  51  14.062  25.456  16.864
  399   HD12  ILE  51          HD11      ILE  51  14.851  23.950  16.411
  400   HD13  ILE  51          HD12      ILE  51  13.505  24.560  15.429
  401    H    ASN  52           H        ASN  52   8.482  23.882  16.441
  402    HA   ASN  52           HA       ASN  52   7.294  25.895  18.014
  403    HB2  ASN  52           HB2      ASN  52   6.508  24.304  15.579
  404    HB3  ASN  52           HB3      ASN  52   5.190  25.017  16.457
  405   HD21  ASN  52          HD22      ASN  52   8.317  25.859  14.916
  406   HD22  ASN  52          HD21      ASN  52   7.893  27.521  14.578
  407    H    ASN  53           H        ASN  53   6.609  22.445  17.840
  408    HA   ASN  53           HA       ASN  53   4.602  22.642  20.050
  409    HB2  ASN  53           HB2      ASN  53   3.112  22.795  18.289
  410    HB3  ASN  53           HB3      ASN  53   4.184  22.007  17.147
  411   HD21  ASN  53          HD22      ASN  53   3.942  19.854  16.702
  412   HD22  ASN  53          HD21      ASN  53   2.795  18.814  17.510
  413    H    GLY  54           H        GLY  54   6.368  20.456  17.776
  414    HA2  GLY  54           HA2      GLY  54   7.799  18.821  19.300
  415    HA3  GLY  54           HA3      GLY  54   6.164  18.241  19.684
  416    HA   PRO  55           HA       PRO  55   7.838  16.156  15.707
  417    HB2  PRO  55           HB2      PRO  55   6.826  13.960  17.563
  418    HB3  PRO  55           HB3      PRO  55   8.038  13.832  16.239
  419    HG2  PRO  55           HG2      PRO  55   8.890  14.106  18.754
  420    HG3  PRO  55           HG3      PRO  55   9.592  15.169  17.486
  421    HD2  PRO  55           HD2      PRO  55   7.413  15.844  19.486
  422    HD3  PRO  55           HD3      PRO  55   8.848  16.808  19.025
  423    H    TYR  56           H        TYR  56   6.429  16.148  14.084
  424    HA   TYR  56           HA       TYR  56   3.521  16.244  14.635
  425    HB2  TYR  56           HB2      TYR  56   5.308  17.016  12.343
  426    HB3  TYR  56           HB3      TYR  56   3.660  16.557  11.970
  427    HD1  TYR  56           HD2      TYR  56   5.607  18.841  14.208
  428    HD2  TYR  56           HD1      TYR  56   1.886  18.057  12.192
  429    HE1  TYR  56           HE2      TYR  56   4.770  21.083  14.895
  430    HE2  TYR  56           HE1      TYR  56   1.032  20.289  12.870
  431    HH   TYR  56           HH       TYR  56   2.995  22.606  14.795
  432    H    TYR  57           H        TYR  57   5.787  13.820  13.895
  433    HA   TYR  57           HA       TYR  57   3.740  12.065  12.641
  434    HB2  TYR  57           HB2      TYR  57   6.557  12.597  11.697
  435    HB3  TYR  57           HB3      TYR  57   5.553  11.225  11.218
  436    HD1  TYR  57           HD1      TYR  57   5.934  14.923  10.938
  437    HD2  TYR  57           HD2      TYR  57   3.614  11.465   9.785
  438    HE1  TYR  57           HE1      TYR  57   4.742  16.285   9.256
  439    HE2  TYR  57           HE2      TYR  57   2.381  12.835   8.135
  440    HH   TYR  57           HH       TYR  57   2.037  14.991   7.283
  441    H    ILE  58           H        ILE  58   3.390  10.731  14.341
  442    HA   ILE  58           HA       ILE  58   5.581   9.209  15.567
  443    HB   ILE  58           HB       ILE  58   3.527  10.844  17.115
  444   HG12  ILE  58          HG12      ILE  58   5.579  12.130  16.507
  445   HG13  ILE  58          HG13      ILE  58   5.288  11.971  18.226
  446   HG21  ILE  58          HG21      ILE  58   3.584   8.702  18.191
  447   HG22  ILE  58          HG22      ILE  58   5.349   8.607  18.099
  448   HG23  ILE  58          HG23      ILE  58   4.563   9.789  19.173
  449   HD11  ILE  58          HD13      ILE  58   7.327  10.335  16.665
  450   HD12  ILE  58          HD11      ILE  58   7.692  11.706  17.735
  451   HD13  ILE  58          HD12      ILE  58   7.010  10.232  18.409
  452    H    LEU  59           H        LEU  59   4.825   7.117  15.921
  453    HA   LEU  59           HA       LEU  59   1.985   6.567  15.105
  454    HB2  LEU  59           HB2      LEU  59   4.510   5.263  14.088
  455    HB3  LEU  59           HB3      LEU  59   2.886   4.616  13.894
  456    HG   LEU  59           HG       LEU  59   2.493   7.260  13.108
  457   HD11  LEU  59          HD11      LEU  59   4.255   7.935  11.639
  458   HD12  LEU  59          HD12      LEU  59   4.975   7.645  13.218
  459   HD13  LEU  59          HD13      LEU  59   5.172   6.437  11.945
  460   HD21  LEU  59          HD23      LEU  59   1.582   5.304  12.086
  461   HD22  LEU  59          HD21      LEU  59   2.275   6.391  10.873
  462   HD23  LEU  59          HD22      LEU  59   3.148   4.904  11.342
  463    H    ALA  60           H        ALA  60   4.687   5.725  17.186
  464    HA   ALA  60           HA       ALA  60   3.014   4.182  18.913
  465    HB1  ALA  60           HB3      ALA  60   4.409   2.102  18.832
  466    HB2  ALA  60           HB1      ALA  60   3.588   2.379  17.289
  467    HB3  ALA  60           HB2      ALA  60   5.313   2.766  17.462
  468    HA   PRO  61           HA       PRO  61   6.102   5.816  21.725
  469    HB2  PRO  61           HB2      PRO  61   6.417   3.011  22.816
  470    HB3  PRO  61           HB3      PRO  61   6.257   4.556  23.706
  471    HG2  PRO  61           HG2      PRO  61   4.116   2.918  23.421
  472    HG3  PRO  61           HG3      PRO  61   3.924   4.687  23.200
  473    HD2  PRO  61           HD2      PRO  61   4.199   2.547  21.082
  474    HD3  PRO  61           HD3      PRO  61   3.084   3.946  21.138
  475    H    GLY  62           H        GLY  62   8.033   6.401  20.852
  476    HA2  GLY  62           HA2      GLY  62  10.292   6.117  20.506
  477    HA3  GLY  62           HA3      GLY  62  10.129   4.366  20.467
  478    H    VAL  63           H        VAL  63   7.802   5.769  18.364
  479    HA   VAL  63           HA       VAL  63   9.564   5.267  16.003
  480    HB   VAL  63           HB       VAL  63   6.691   4.381  16.497
  481   HG11  VAL  63          HG11      VAL  63   6.907   3.107  14.390
  482   HG12  VAL  63          HG12      VAL  63   7.081   4.837  14.131
  483   HG13  VAL  63          HG13      VAL  63   8.525   3.809  14.135
  484   HG21  VAL  63          HG23      VAL  63   7.630   2.068  16.465
  485   HG22  VAL  63          HG21      VAL  63   9.269   2.759  16.486
  486   HG23  VAL  63          HG22      VAL  63   8.165   3.002  17.851
  487    H    ALA  64           H        ALA  64   9.618   6.929  14.633
  488    HA   ALA  64           HA       ALA  64   7.335   8.836  14.490
  489    HB1  ALA  64           HB3      ALA  64  10.306   9.447  14.176
  490    HB2  ALA  64           HB1      ALA  64   8.983  10.626  14.048
  491    HB3  ALA  64           HB2      ALA  64   9.327   9.858  15.601
  492    H    MET  65           H        MET  65   7.288   9.997  12.348
  493    HA   MET  65           HA       MET  65   8.536   8.464  10.179
  494    HB2  MET  65           HB2      MET  65   6.306   7.533  10.419
  495    HB3  MET  65           HB3      MET  65   5.604   9.118  10.051
  496    HG2  MET  65           HG2      MET  65   7.126   8.907   7.878
  497    HG3  MET  65           HG3      MET  65   7.152   7.202   8.296
  498    HE1  MET  65           HE3      MET  65   4.785   5.864   8.728
  499    HE2  MET  65           HE1      MET  65   3.966   7.222   9.555
  500    HE3  MET  65           HE2      MET  65   3.210   6.459   8.140
  501    HA   PRO  66           HA       PRO  66   8.755  13.139  10.212
  502    HB2  PRO  66           HB2      PRO  66  11.494  12.502   9.049
  503    HB3  PRO  66           HB3      PRO  66  11.047  13.840  10.156
  504    HG2  PRO  66           HG2      PRO  66  12.238  11.636  11.131
  505    HG3  PRO  66           HG3      PRO  66  10.818  12.313  11.993
  506    HD2  PRO  66           HD2      PRO  66  10.893   9.979  10.055
  507    HD3  PRO  66           HD3      PRO  66  10.085  10.102  11.643
  508    H    HIS  67           H        HIS  67   8.750  14.652   8.570
  509    HA   HIS  67           HA       HIS  67   8.806  14.433   5.794
  510    HB2  HIS  67           HB2      HIS  67   7.249  12.610   5.750
  511    HB3  HIS  67           HB3      HIS  67   6.304  13.265   7.070
  512    HD1  HIS  67           HD1      HIS  67   4.360  14.961   6.467
  513    HD2  HIS  67           HD2      HIS  67   6.729  13.736   3.201
  514    HE1  HIS  67           HE1      HIS  67   3.123  15.653   4.367
  515    H    ALA  68           H        ALA  68   7.685  16.295   4.837
  516    HA   ALA  68           HA       ALA  68   6.185  18.112   6.584
  517    HB1  ALA  68           HB3      ALA  68   8.430  19.093   6.707
  518    HB2  ALA  68           HB1      ALA  68   8.605  18.990   4.940
  519    HB3  ALA  68           HB2      ALA  68   7.402  20.074   5.668
  520    H    ARG  69           H        ARG  69   4.746  19.409   5.284
  521    HA   ARG  69           HA       ARG  69   3.544  17.963   3.194
  522    HB2  ARG  69           HB2      ARG  69   3.409  20.919   3.910
  523    HB3  ARG  69           HB3      ARG  69   2.341  20.141   2.726
  524    HG2  ARG  69           HG2      ARG  69   1.490  18.602   4.465
  525    HG3  ARG  69           HG3      ARG  69   2.528  19.390   5.673
  526    HD2  ARG  69           HD2      ARG  69   1.377  21.546   5.255
  527    HD3  ARG  69           HD3      ARG  69   0.323  20.747   4.066
  528    HE   ARG  69           HE       ARG  69   0.140  19.303   6.483
  529   HH11  ARG  69          HH11      ARG  69  -0.747  22.519   5.268
  530   HH12  ARG  69          HH12      ARG  69  -2.071  22.722   6.351
  531   HH21  ARG  69          HH21      ARG  69  -1.626  19.571   7.931
  532   HH22  ARG  69          HH22      ARG  69  -2.580  21.004   7.899
  533    HA   PRO  70           HA       PRO  70   6.142  18.145  -0.260
  534    HB2  PRO  70           HB2      PRO  70   3.747  19.256  -1.785
  535    HB3  PRO  70           HB3      PRO  70   4.930  18.034  -2.325
  536    HG2  PRO  70           HG2      PRO  70   2.537  17.262  -1.309
  537    HG3  PRO  70           HG3      PRO  70   4.021  16.402  -0.796
  538    HD2  PRO  70           HD2      PRO  70   2.431  18.453   0.710
  539    HD3  PRO  70           HD3      PRO  70   3.331  17.028   1.308
  540    H    GLU  71           H        GLU  71   4.075  21.134  -0.156
  541    HA   GLU  71           HA       GLU  71   5.792  22.759  -1.710
  542    HB2  GLU  71           HB2      GLU  71   4.452  24.631  -0.829
  543    HB3  GLU  71           HB3      GLU  71   3.476  23.325  -1.465
  544    HG2  GLU  71           HG2      GLU  71   4.023  23.300   1.506
  545    HG3  GLU  71           HG3      GLU  71   2.986  24.572   0.878
  546    H    CYS  72           H        CYS  72   6.482  21.586   1.398
  547    HA   CYS  72           HA       CYS  72   7.945  23.927   2.377
  548    HB2  CYS  72           HB2      CYS  72   8.001  21.025   3.316
  549    HB3  CYS  72           HB3      CYS  72   8.690  22.422   4.156
  550    HG   CYS  72           HG       CYS  72   5.588  21.667   3.415
  551    H    GLY  73           H        GLY  73   8.531  21.815  -0.162
  552    HA2  GLY  73           HA2      GLY  73  10.589  22.581  -1.324
  553    HA3  GLY  73           HA3      GLY  73  11.501  22.151   0.126
  554    H    ALA  74           H        ALA  74   8.873  19.962  -0.711
  555    HA   ALA  74           HA       ALA  74  10.729  17.814  -1.355
  556    HB1  ALA  74           HB3      ALA  74   8.779  16.501  -1.791
  557    HB2  ALA  74           HB1      ALA  74   8.528  17.389  -0.277
  558    HB3  ALA  74           HB2      ALA  74   7.747  17.943  -1.788
  559    H    LEU  75           H        LEU  75  11.063  16.937  -3.396
  560    HA   LEU  75           HA       LEU  75  10.330  18.604  -5.771
  561    HB2  LEU  75           HB2      LEU  75  12.997  17.325  -5.094
  562    HB3  LEU  75           HB3      LEU  75  12.639  18.187  -6.582
  563    HG   LEU  75           HG       LEU  75  12.722  19.420  -3.793
  564   HD11  LEU  75          HD11      LEU  75  14.695  19.596  -6.108
  565   HD12  LEU  75          HD12      LEU  75  14.819  20.459  -4.559
  566   HD13  LEU  75          HD13      LEU  75  14.933  18.697  -4.596
  567   HD21  LEU  75          HD23      LEU  75  11.191  20.680  -5.277
  568   HD22  LEU  75          HD21      LEU  75  12.671  21.594  -4.991
  569   HD23  LEU  75          HD22      LEU  75  12.442  20.745  -6.536
  570    H    LYS  76           H        LYS  76  11.045  15.403  -4.412
  571    HA   LYS  76           HA       LYS  76   9.760  14.109  -6.693
  572    HB2  LYS  76           HB2      LYS  76  12.370  13.074  -5.561
  573    HB3  LYS  76           HB3      LYS  76  11.497  12.444  -6.944
  574    HG2  LYS  76           HG2      LYS  76  12.113  14.441  -8.255
  575    HG3  LYS  76           HG3      LYS  76  12.895  15.160  -6.832
  576    HD2  LYS  76           HD2      LYS  76  14.449  13.199  -6.726
  577    HD3  LYS  76           HD3      LYS  76  13.804  12.641  -8.272
  578    HE2  LYS  76           HE2      LYS  76  15.097  15.371  -7.759
  579    HE3  LYS  76           HE3      LYS  76  15.951  13.968  -8.405
  580    HZ1  LYS  76           HZ3      LYS  76  15.249  15.429 -10.175
  581    HZ2  LYS  76           HZ1      LYS  76  14.462  14.012 -10.325
  582    HZ3  LYS  76           HZ2      LYS  76  13.683  15.330  -9.744
  583    H    THR  77           H        THR  77   9.160  11.761  -5.956
  584    HA   THR  77           HA       THR  77   8.546  11.807  -3.118
  585    HB   THR  77           HB       THR  77   7.500  10.268  -5.514
  586    HG1  THR  77           HG1      THR  77   6.166  11.802  -5.729
  587   HG21  THR  77          HG23      THR  77   5.661   9.577  -4.060
  588   HG22  THR  77          HG21      THR  77   7.205   8.982  -3.448
  589   HG23  THR  77          HG22      THR  77   6.437  10.389  -2.670
  590    H    GLY  78           H        GLY  78   9.573  10.469  -1.657
  591    HA2  GLY  78           HA2      GLY  78  10.583   7.869  -2.257
  592    HA3  GLY  78           HA3      GLY  78  11.906   9.045  -2.267
  593    H    MET  79           H        MET  79  12.188   7.208  -0.355
  594    HA   MET  79           HA       MET  79  11.289   8.428   2.213
  595    HB2  MET  79           HB2      MET  79  11.076   5.543   1.261
  596    HB3  MET  79           HB3      MET  79  10.910   6.011   2.953
  597    HG2  MET  79           HG2      MET  79   8.954   7.310   2.531
  598    HG3  MET  79           HG3      MET  79   9.126   7.126   0.781
  599    HE1  MET  79           HE3      MET  79   6.913   6.318   0.310
  600    HE2  MET  79           HE1      MET  79   6.128   4.847   0.918
  601    HE3  MET  79           HE2      MET  79   6.258   6.283   1.957
  602    H    SER  80           H        SER  80  12.372   7.426   4.091
  603    HA   SER  80           HA       SER  80  15.019   6.255   3.664
  604    HB2  SER  80           HB2      SER  80  15.856   8.038   5.414
  605    HB3  SER  80           HB3      SER  80  15.822   8.419   3.686
  606    HG   SER  80           HG       SER  80  14.800   9.896   5.426
  607    H    LEU  81           H        LEU  81  15.935   5.540   5.798
  608    HA   LEU  81           HA       LEU  81  13.894   4.718   7.791
  609    HB2  LEU  81           HB2      LEU  81  14.180   3.215   5.740
  610    HB3  LEU  81           HB3      LEU  81  15.859   3.017   6.190
  611    HG   LEU  81           HG       LEU  81  15.196   1.835   8.254
  612   HD11  LEU  81          HD11      LEU  81  12.833   1.053   8.425
  613   HD12  LEU  81          HD12      LEU  81  13.016   2.790   8.670
  614   HD13  LEU  81          HD13      LEU  81  12.391   2.167   7.117
  615   HD21  LEU  81          HD23      LEU  81  14.302   1.023   5.470
  616   HD22  LEU  81          HD21      LEU  81  15.715   0.503   6.356
  617   HD23  LEU  81          HD22      LEU  81  14.124  -0.111   6.835
  618    H    THR  82           H        THR  82  14.848   5.494   9.699
  619    HA   THR  82           HA       THR  82  17.809   5.271   9.977
  620    HB   THR  82           HB       THR  82  15.897   7.407  11.043
  621    HG1  THR  82           HG1      THR  82  16.092   7.542   8.806
  622   HG21  THR  82          HG23      THR  82  17.994   8.686  11.462
  623   HG22  THR  82          HG21      THR  82  17.866   7.211  12.427
  624   HG23  THR  82          HG22      THR  82  18.946   7.243  11.018
  625    H    LEU  83           H        LEU  83  18.525   4.441  11.985
  626    HA   LEU  83           HA       LEU  83  16.516   4.112  14.121
  627    HB2  LEU  83           HB2      LEU  83  16.763   1.931  12.825
  628    HB3  LEU  83           HB3      LEU  83  18.477   1.946  13.264
  629    HG   LEU  83           HG       LEU  83  17.573   2.046  15.743
  630   HD11  LEU  83          HD11      LEU  83  15.151   0.691  14.471
  631   HD12  LEU  83          HD12      LEU  83  15.429   1.188  16.172
  632   HD13  LEU  83          HD13      LEU  83  15.187   2.409  14.925
  633   HD21  LEU  83          HD23      LEU  83  17.300  -0.463  14.076
  634   HD22  LEU  83          HD21      LEU  83  18.790   0.134  14.837
  635   HD23  LEU  83          HD22      LEU  83  17.434  -0.402  15.845
  636    H    LEU  84           H        LEU  84  17.400   4.219  16.167
  637    HA   LEU  84           HA       LEU  84  20.196   5.256  16.404
  638    HB2  LEU  84           HB2      LEU  84  17.659   6.217  17.785
  639    HB3  LEU  84           HB3      LEU  84  19.286   6.676  18.244
  640    HG   LEU  84           HG       LEU  84  18.296   8.471  17.093
  641   HD11  LEU  84          HD11      LEU  84  19.884   8.908  15.315
  642   HD12  LEU  84          HD12      LEU  84  20.687   8.047  16.639
  643   HD13  LEU  84          HD13      LEU  84  20.234   7.176  15.155
  644   HD21  LEU  84          HD23      LEU  84  17.844   6.787  14.629
  645   HD22  LEU  84          HD21      LEU  84  16.591   7.218  15.810
  646   HD23  LEU  84          HD22      LEU  84  17.442   8.484  14.891
  647    H    GLU  85           H        GLU  85  21.279   3.688  17.548
  648    HA   GLU  85           HA       GLU  85  20.014   1.606  18.951
  649    HB2  GLU  85           HB2      GLU  85  22.839   2.655  19.358
  650    HB3  GLU  85           HB3      GLU  85  22.230   1.103  19.918
  651    HG2  GLU  85           HG2      GLU  85  21.748   0.458  17.544
  652    HG3  GLU  85           HG3      GLU  85  22.545   1.939  17.011
  653    H    GLN  86           H        GLN  86  20.894   4.798  20.139
  654    HA   GLN  86           HA       GLN  86  20.108   3.990  22.905
  655    HB2  GLN  86           HB2      GLN  86  21.767   6.326  21.960
  656    HB3  GLN  86           HB3      GLN  86  21.430   5.916  23.642
  657    HG2  GLN  86           HG2      GLN  86  22.894   4.079  21.707
  658    HG3  GLN  86           HG3      GLN  86  23.683   5.216  22.787
  659   HE21  GLN  86          HE22      GLN  86  21.533   2.278  22.766
  660   HE22  GLN  86          HE21      GLN  86  22.058   1.727  24.337
  661    H    GLY  87           H        GLY  87  18.782   5.501  20.240
  662    HA2  GLY  87           HA2      GLY  87  17.011   6.856  19.889
  663    HA3  GLY  87           HA3      GLY  87  16.610   6.779  21.605
  664    H    VAL  88           H        VAL  88  16.131   9.072  20.264
  665    HA   VAL  88           HA       VAL  88  17.883  10.985  21.663
  666    HB   VAL  88           HB       VAL  88  16.952  11.481  18.786
  667   HG11  VAL  88          HG11      VAL  88  17.248  13.531  19.997
  668   HG12  VAL  88          HG12      VAL  88  18.850  13.009  20.588
  669   HG13  VAL  88          HG13      VAL  88  18.576  13.325  18.861
  670   HG21  VAL  88          HG23      VAL  88  18.721   9.654  18.892
  671   HG22  VAL  88          HG21      VAL  88  19.079  11.069  17.966
  672   HG23  VAL  88          HG22      VAL  88  19.803  10.875  19.598
  673    H    TYR  89           H        TYR  89  16.583  12.872  22.328
  674    HA   TYR  89           HA       TYR  89  13.709  12.110  22.479
  675    HB2  TYR  89           HB2      TYR  89  15.296  11.875  24.482
  676    HB3  TYR  89           HB3      TYR  89  15.247  13.617  24.594
  677    HD1  TYR  89           HD2      TYR  89  11.940  13.114  23.558
  678    HD2  TYR  89           HD1      TYR  89  14.578  12.114  26.860
  679    HE1  TYR  89           HE2      TYR  89  10.017  12.857  25.042
  680    HE2  TYR  89           HE1      TYR  89  12.624  11.888  28.349
  681    HH   TYR  89           HH       TYR  89  10.310  12.039  28.530
  682    H    PHE  90           H        PHE  90  12.703  13.361  20.977
  683    HA   PHE  90           HA       PHE  90  13.296  16.070  20.386
  684    HB2  PHE  90           HB2      PHE  90  10.799  14.362  20.268
  685    HB3  PHE  90           HB3      PHE  90  10.883  15.991  19.582
  686    HD1  PHE  90           HD1      PHE  90  13.052  16.423  18.024
  687    HD2  PHE  90           HD2      PHE  90  11.141  12.624  18.681
  688    HE1  PHE  90           HE1      PHE  90  14.015  15.577  15.907
  689    HE2  PHE  90           HE2      PHE  90  12.096  11.780  16.547
  690    HZ   PHE  90           HZ       PHE  90  13.543  13.256  15.160
  691    HA   PRO  91           HA       PRO  91  11.862  18.137  23.927
  692    HB2  PRO  91           HB2      PRO  91  11.306  20.673  23.020
  693    HB3  PRO  91           HB3      PRO  91  12.946  19.963  22.999
  694    HG2  PRO  91           HG2      PRO  91  10.921  20.007  20.727
  695    HG3  PRO  91           HG3      PRO  91  12.637  20.557  20.693
  696    HD2  PRO  91           HD2      PRO  91  11.941  18.085  19.851
  697    HD3  PRO  91           HD3      PRO  91  13.437  18.337  20.799
  698    H    GLY  92           H        GLY  92   9.457  17.176  21.767
  699    HA2  GLY  92           HA2      GLY  92   7.284  18.168  23.528
  700    HA3  GLY  92           HA3      GLY  92   7.276  18.642  21.827
  701    H    ASN  93           H        ASN  93   8.296  15.461  23.183
  702    HA   ASN  93           HA       ASN  93   5.754  14.232  22.301
  703    HB2  ASN  93           HB2      ASN  93   7.295  13.818  20.443
  704    HB3  ASN  93           HB3      ASN  93   8.530  13.216  21.560
  705   HD21  ASN  93          HD22      ASN  93   8.612  10.999  21.643
  706   HD22  ASN  93          HD21      ASN  93   7.290   9.920  21.297
  707    H    ASP  94           H        ASP  94   5.478  12.081  23.408
  708    HA   ASP  94           HA       ASP  94   5.971  12.541  26.189
  709    HB2  ASP  94           HB2      ASP  94   3.886  11.588  25.295
  710    HB3  ASP  94           HB3      ASP  94   4.755  10.147  24.772
  711    H    GLU  95           H        GLU  95   7.690  10.564  23.833
  712    HA   GLU  95           HA       GLU  95   9.579   9.724  25.923
  713    HB2  GLU  95           HB2      GLU  95   9.205   7.467  25.627
  714    HB3  GLU  95           HB3      GLU  95   7.594   8.121  25.512
  715    HG2  GLU  95           HG2      GLU  95   9.313   7.312  23.146
  716    HG3  GLU  95           HG3      GLU  95   8.081   6.315  23.887
  717    HA   PRO  96           HA       PRO  96  12.559  10.366  22.705
  718    HB2  PRO  96           HB2      PRO  96  14.543   8.540  23.131
  719    HB3  PRO  96           HB3      PRO  96  14.194   9.856  24.291
  720    HG2  PRO  96           HG2      PRO  96  13.281   6.977  24.424
  721    HG3  PRO  96           HG3      PRO  96  13.979   7.985  25.731
  722    HD2  PRO  96           HD2      PRO  96  11.282   7.583  25.372
  723    HD3  PRO  96           HD3      PRO  96  11.940   9.093  26.083
  724    H    ILE  97           H        ILE  97  13.298   9.618  20.638
  725    HA   ILE  97           HA       ILE  97  11.707   7.327  19.575
  726    HB   ILE  97           HB       ILE  97  12.956   9.714  18.169
  727   HG12  ILE  97          HG12      ILE  97  11.096  10.492  19.460
  728   HG13  ILE  97          HG13      ILE  97  10.585  10.416  17.781
  729   HG21  ILE  97          HG21      ILE  97  12.893   7.798  16.623
  730   HG22  ILE  97          HG22      ILE  97  11.191   7.497  17.027
  731   HG23  ILE  97          HG23      ILE  97  11.660   8.977  16.191
  732   HD11  ILE  97          HD13      ILE  97   9.311   8.350  18.241
  733   HD12  ILE  97          HD11      ILE  97   9.861   8.384  19.943
  734   HD13  ILE  97          HD12      ILE  97   8.850   9.666  19.335
  735    H    LYS  98           H        LYS  98  12.656   5.636  18.697
  736    HA   LYS  98           HA       LYS  98  15.638   5.657  18.481
  737    HB2  LYS  98           HB2      LYS  98  13.781   3.284  18.891
  738    HB3  LYS  98           HB3      LYS  98  15.527   3.215  18.644
  739    HG2  LYS  98           HG2      LYS  98  15.689   4.756  20.744
  740    HG3  LYS  98           HG3      LYS  98  13.996   4.343  21.018
  741    HD2  LYS  98           HD2      LYS  98  15.305   2.870  22.353
  742    HD3  LYS  98           HD3      LYS  98  14.689   1.889  21.011
  743    HE2  LYS  98           HE2      LYS  98  16.860   2.065  19.844
  744    HE3  LYS  98           HE3      LYS  98  17.438   3.222  21.040
  745    HZ1  LYS  98           HZ3      LYS  98  18.359   1.153  21.589
  746    HZ2  LYS  98           HZ1      LYS  98  17.217   1.408  22.718
  747    HZ3  LYS  98           HZ2      LYS  98  16.924   0.348  21.504
  748    H    LEU  99           H        LEU  99  12.672   5.591  16.643
  749    HA   LEU  99           HA       LEU  99  14.194   4.652  14.271
  750    HB2  LEU  99           HB2      LEU  99  13.003   2.722  15.353
  751    HB3  LEU  99           HB3      LEU  99  11.540   3.690  15.407
  752    HG   LEU  99           HG       LEU  99  11.453   3.656  12.905
  753   HD11  LEU  99          HD11      LEU  99  12.701   1.864  11.690
  754   HD12  LEU  99          HD12      LEU  99  13.809   3.067  12.334
  755   HD13  LEU  99          HD13      LEU  99  13.637   1.510  13.134
  756   HD21  LEU  99          HD23      LEU  99  10.443   1.491  12.876
  757   HD22  LEU  99          HD21      LEU  99  11.442   0.929  14.247
  758   HD23  LEU  99          HD22      LEU  99  10.183   2.155  14.467
  759    H    LEU 100           H        LEU 100  13.748   5.764  12.453
  760    HA   LEU 100           HA       LEU 100  11.341   7.515  12.369
  761    HB2  LEU 100           HB2      LEU 100  14.104   8.512  11.580
  762    HB3  LEU 100           HB3      LEU 100  12.610   9.393  11.607
  763    HG   LEU 100           HG       LEU 100  12.753   8.534  14.214
  764   HD11  LEU 100          HD11      LEU 100  15.606   9.140  13.388
  765   HD12  LEU 100          HD12      LEU 100  15.016   8.850  15.041
  766   HD13  LEU 100          HD13      LEU 100  15.004   7.534  13.849
  767   HD21  LEU 100          HD23      LEU 100  12.260  10.837  13.586
  768   HD22  LEU 100          HD21      LEU 100  13.459  10.746  14.886
  769   HD23  LEU 100          HD22      LEU 100  13.979  11.118  13.237
  770    H    ILE 101           H        ILE 101  10.283   6.902  10.561
  771    HA   ILE 101           HA       ILE 101  11.848   6.048   8.180
  772    HB   ILE 101           HB       ILE 101   8.939   5.714   9.030
  773   HG12  ILE 101          HG12      ILE 101   9.351   3.385   8.710
  774   HG13  ILE 101          HG13      ILE 101  10.916   3.687   7.954
  775   HG21  ILE 101          HG21      ILE 101   8.960   6.429   6.656
  776   HG22  ILE 101          HG22      ILE 101  10.043   5.078   6.281
  777   HG23  ILE 101          HG23      ILE 101   8.405   4.787   6.944
  778   HD11  ILE 101          HD13      ILE 101  10.376   4.231  10.888
  779   HD12  ILE 101          HD11      ILE 101  11.026   2.709  10.242
  780   HD13  ILE 101          HD12      ILE 101  11.947   4.201  10.048
  781    H    GLY 102           H        GLY 102  12.401   7.708   6.851
  782    HA2  GLY 102           HA2      GLY 102  10.976  10.277   7.041
  783    HA3  GLY 102           HA3      GLY 102  12.405   9.950   6.075
  784    H    LEU 103           H        LEU 103   9.800  11.150   5.263
  785    HA   LEU 103           HA       LEU 103   9.488   9.586   2.781
  786    HB2  LEU 103           HB2      LEU 103   7.588   9.053   4.506
  787    HB3  LEU 103           HB3      LEU 103   7.101  10.714   4.280
  788    HG   LEU 103           HG       LEU 103   6.899   8.366   2.310
  789   HD11  LEU 103          HD11      LEU 103   4.534   8.978   2.516
  790   HD12  LEU 103          HD12      LEU 103   5.166   8.981   4.164
  791   HD13  LEU 103          HD13      LEU 103   4.916  10.503   3.320
  792   HD21  LEU 103          HD23      LEU 103   6.657  11.340   1.689
  793   HD22  LEU 103          HD21      LEU 103   7.558  10.039   0.821
  794   HD23  LEU 103          HD22      LEU 103   5.811  10.117   0.769
  795    H    SER 104           H        SER 104   9.255  11.002   1.057
  796    HA   SER 104           HA       SER 104   8.699  13.861   1.436
  797    HB2  SER 104           HB2      SER 104  10.478  14.372  -0.267
  798    HB3  SER 104           HB3      SER 104  11.113  13.838   1.302
  799    HG   SER 104           HG       SER 104  11.086  11.650   0.238
  800    H    ALA 105           H        ALA 105   7.463  14.647  -0.381
  801    HA   ALA 105           HA       ALA 105   6.854  12.713  -2.517
  802    HB1  ALA 105           HB3      ALA 105   4.424  12.973  -2.078
  803    HB2  ALA 105           HB1      ALA 105   5.255  12.112  -0.764
  804    HB3  ALA 105           HB2      ALA 105   4.803  13.827  -0.568
  805    H    ALA 106           H        ALA 106   6.384  13.743  -4.401
  806    HA   ALA 106           HA       ALA 106   6.885  16.585  -4.452
  807    HB1  ALA 106           HB3      ALA 106   6.103  14.655  -6.689
  808    HB2  ALA 106           HB1      ALA 106   6.723  16.305  -6.910
  809    HB3  ALA 106           HB2      ALA 106   7.763  15.062  -6.195
  810    H    ASP 107           H        ASP 107   4.019  14.577  -4.369
  811    HA   ASP 107           HA       ASP 107   2.272  16.968  -4.662
  812    HB2  ASP 107           HB2      ASP 107   2.395  15.957  -6.907
  813    HB3  ASP 107           HB3      ASP 107   1.971  14.382  -6.242
  814    H    ALA 108           H        ALA 108   0.130  16.623  -3.727
  815    HA   ALA 108           HA       ALA 108   0.245  15.324  -1.246
  816    HB1  ALA 108           HB3      ALA 108  -2.144  15.908  -1.074
  817    HB2  ALA 108           HB1      ALA 108  -1.200  17.264  -1.719
  818    HB3  ALA 108           HB2      ALA 108  -2.194  16.266  -2.811
  819    H    ASP 109           H        ASP 109  -1.026  14.085  -4.362
  820    HA   ASP 109           HA       ASP 109  -2.277  11.769  -3.045
  821    HB2  ASP 109           HB2      ASP 109  -3.240  12.551  -5.077
  822    HB3  ASP 109           HB3      ASP 109  -1.693  12.384  -5.943
  823    H    SER 110           H        SER 110   0.839  12.533  -4.572
  824    HA   SER 110           HA       SER 110   1.922   9.878  -4.444
  825    HB2  SER 110           HB2      SER 110   3.473  12.495  -4.193
  826    HB3  SER 110           HB3      SER 110   4.064  10.919  -4.712
  827    HG   SER 110           HG       SER 110   3.630  12.213  -6.510
  828    H    HIS 111           H        HIS 111   1.788  12.605  -2.097
  829    HA   HIS 111           HA       HIS 111   3.126  11.342   0.063
  830    HB2  HIS 111           HB2      HIS 111   2.718  13.652   0.291
  831    HB3  HIS 111           HB3      HIS 111   1.042  13.507  -0.157
  832    HD1  HIS 111           HD1      HIS 111   3.245  13.273   2.931
  833    HD2  HIS 111           HD2      HIS 111  -0.762  12.917   1.696
  834    HE1  HIS 111           HE1      HIS 111   1.843  13.195   5.051
  835    H    ILE 112           H        ILE 112  -0.400  11.327  -0.758
  836    HA   ILE 112           HA       ILE 112  -1.220   9.649   1.360
  837    HB   ILE 112           HB       ILE 112  -2.245  10.079  -1.475
  838   HG12  ILE 112          HG12      ILE 112  -2.365  11.977   0.213
  839   HG13  ILE 112          HG13      ILE 112  -3.849  11.538  -0.613
  840   HG21  ILE 112          HG21      ILE 112  -3.585   8.396   0.651
  841   HG22  ILE 112          HG22      ILE 112  -4.405   9.062  -0.786
  842   HG23  ILE 112          HG23      ILE 112  -3.084   7.913  -0.984
  843   HD11  ILE 112          HD13      ILE 112  -4.141  12.058   1.779
  844   HD12  ILE 112          HD11      ILE 112  -4.676  10.418   1.378
  845   HD13  ILE 112          HD12      ILE 112  -3.114  10.667   2.208
  846    H    GLY 113           H        GLY 113  -0.255   8.631  -2.005
  847    HA2  GLY 113           HA2      GLY 113  -0.586   5.870  -1.558
  848    HA3  GLY 113           HA3      GLY 113   0.498   6.600  -2.759
  849    H    ALA 114           H        ALA 114   2.222   7.974  -0.944
  850    HA   ALA 114           HA       ALA 114   4.104   5.896  -0.292
  851    HB1  ALA 114           HB3      ALA 114   3.970   8.889   0.276
  852    HB2  ALA 114           HB1      ALA 114   5.396   7.876   0.524
  853    HB3  ALA 114           HB2      ALA 114   4.762   8.117  -1.104
  854    H    ILE 115           H        ILE 115   2.081   8.126   1.763
  855    HA   ILE 115           HA       ILE 115   2.903   7.221   4.266
  856    HB   ILE 115           HB       ILE 115   0.503   8.419   3.058
  857   HG12  ILE 115          HG12      ILE 115   2.449   9.883   3.475
  858   HG13  ILE 115          HG13      ILE 115   0.979  10.402   4.279
  859   HG21  ILE 115          HG21      ILE 115   0.533   7.512   5.894
  860   HG22  ILE 115          HG22      ILE 115  -0.541   8.817   5.271
  861   HG23  ILE 115          HG23      ILE 115  -0.646   7.196   4.592
  862   HD11  ILE 115          HD13      ILE 115   2.969  10.671   5.710
  863   HD12  ILE 115          HD11      ILE 115   1.802   9.550   6.436
  864   HD13  ILE 115          HD12      ILE 115   3.258   8.925   5.630
  865    H    GLN 116           H        GLN 116   0.330   6.067   2.024
  866    HA   GLN 116           HA       GLN 116  -0.659   4.020   3.762
  867    HB2  GLN 116           HB2      GLN 116  -0.930   4.559   0.777
  868    HB3  GLN 116           HB3      GLN 116  -1.779   3.240   1.587
  869    HG2  GLN 116           HG2      GLN 116  -2.008   6.134   2.483
  870    HG3  GLN 116           HG3      GLN 116  -3.073   5.412   1.279
  871   HE21  GLN 116          HE22      GLN 116  -4.459   3.549   1.974
  872   HE22  GLN 116          HE21      GLN 116  -4.905   3.408   3.656
  873    H    ALA 117           H        ALA 117   2.334   4.102   2.061
  874    HA   ALA 117           HA       ALA 117   2.445   1.192   1.847
  875    HB1  ALA 117           HB3      ALA 117   4.654   1.557   0.855
  876    HB2  ALA 117           HB1      ALA 117   3.499   2.620   0.040
  877    HB3  ALA 117           HB2      ALA 117   4.602   3.271   1.265
  878    H    LEU 118           H        LEU 118   3.726   4.011   3.617
  879    HA   LEU 118           HA       LEU 118   5.426   2.425   5.272
  880    HB2  LEU 118           HB2      LEU 118   4.346   5.266   5.598
  881    HB3  LEU 118           HB3      LEU 118   5.625   4.555   6.609
  882    HG   LEU 118           HG       LEU 118   5.705   4.819   3.587
  883   HD11  LEU 118          HD11      LEU 118   5.734   6.978   4.604
  884   HD12  LEU 118          HD12      LEU 118   6.930   6.506   5.809
  885   HD13  LEU 118          HD13      LEU 118   7.398   6.634   4.102
  886   HD21  LEU 118          HD23      LEU 118   7.305   3.230   3.805
  887   HD22  LEU 118          HD21      LEU 118   8.325   4.493   4.483
  888   HD23  LEU 118          HD22      LEU 118   7.444   3.398   5.558
  889    H    SER 119           H        SER 119   2.103   3.542   5.647
  890    HA   SER 119           HA       SER 119   1.745   2.773   8.334
  891    HB2  SER 119           HB2      SER 119  -0.271   2.633   6.048
  892    HB3  SER 119           HB3      SER 119  -0.644   2.714   7.780
  893    HG   SER 119           HG       SER 119   0.642   4.699   6.180
  894    H    GLU 120           H        GLU 120   2.271   0.684   5.530
  895    HA   GLU 120           HA       GLU 120   1.004  -1.648   6.632
  896    HB2  GLU 120           HB2      GLU 120   3.285  -1.480   4.641
  897    HB3  GLU 120           HB3      GLU 120   2.346  -2.914   5.000
  898    HG2  GLU 120           HG2      GLU 120   1.081  -0.370   3.943
  899    HG3  GLU 120           HG3      GLU 120   1.702  -1.626   2.880
  900    H    LEU 121           H        LEU 121   4.043   0.028   7.063
  901    HA   LEU 121           HA       LEU 121   5.252  -2.224   8.579
  902    HB2  LEU 121           HB2      LEU 121   6.420   0.420   7.604
  903    HB3  LEU 121           HB3      LEU 121   7.295  -0.751   8.568
  904    HG   LEU 121           HG       LEU 121   6.260  -1.091   5.729
  905   HD11  LEU 121          HD11      LEU 121   9.060  -1.125   6.955
  906   HD12  LEU 121          HD12      LEU 121   8.691  -1.385   5.243
  907   HD13  LEU 121          HD13      LEU 121   8.348   0.185   5.990
  908   HD21  LEU 121          HD23      LEU 121   7.296  -3.331   5.682
  909   HD22  LEU 121          HD21      LEU 121   7.626  -3.236   7.418
  910   HD23  LEU 121          HD22      LEU 121   5.950  -3.286   6.819
  911    H    LEU 122           H        LEU 122   4.968   1.364   9.107
  912    HA   LEU 122           HA       LEU 122   5.634   0.955  11.855
  913    HB2  LEU 122           HB2      LEU 122   4.581   3.402  10.410
  914    HB3  LEU 122           HB3      LEU 122   5.167   3.382  12.076
  915    HG   LEU 122           HG       LEU 122   6.745   2.956   9.526
  916   HD11  LEU 122          HD11      LEU 122   6.548   5.235  10.183
  917   HD12  LEU 122          HD12      LEU 122   6.864   4.867  11.893
  918   HD13  LEU 122          HD13      LEU 122   8.159   4.733  10.732
  919   HD21  LEU 122          HD23      LEU 122   7.693   2.269  12.342
  920   HD22  LEU 122          HD21      LEU 122   7.598   1.173  10.943
  921   HD23  LEU 122          HD22      LEU 122   8.754   2.482  10.947
  922    H    CYS 123           H        CYS 123   2.636   0.239  10.582
  923    HA   CYS 123           HA       CYS 123   1.337   0.789  13.211
  924    HB2  CYS 123           HB2      CYS 123  -0.024   0.238  10.551
  925    HB3  CYS 123           HB3      CYS 123  -0.806   0.685  12.063
  926    HG   CYS 123           HG       CYS 123  -0.925   2.725  10.439
  927    H    GLU 124           H        GLU 124   3.168  -1.394  12.569
  928    HA   GLU 124           HA       GLU 124   1.443  -3.710  13.097
  929    HB2  GLU 124           HB2      GLU 124   1.893  -3.399  10.599
  930    HB3  GLU 124           HB3      GLU 124   3.602  -3.655  10.943
  931    HG2  GLU 124           HG2      GLU 124   2.635  -5.668  10.147
  932    HG3  GLU 124           HG3      GLU 124   3.081  -5.888  11.848
  933    H    GLU 125           H        GLU 125   2.068  -3.961  15.147
  934    HA   GLU 125           HA       GLU 125   4.530  -3.229  16.200
  935    HB2  GLU 125           HB2      GLU 125   3.875  -4.421  18.202
  936    HB3  GLU 125           HB3      GLU 125   2.510  -3.540  17.520
  937    HG2  GLU 125           HG2      GLU 125   1.672  -5.684  16.507
  938    HG3  GLU 125           HG3      GLU 125   3.009  -6.542  17.273
  939    H    GLU 126           H        GLU 126   3.721  -6.172  14.504
  940    HA   GLU 126           HA       GLU 126   5.871  -7.799  15.432
  941    HB2  GLU 126           HB2      GLU 126   4.469  -7.827  12.721
  942    HB3  GLU 126           HB3      GLU 126   5.527  -9.097  13.355
  943    HG2  GLU 126           HG2      GLU 126   3.950  -9.336  15.309
  944    HG3  GLU 126           HG3      GLU 126   2.856  -8.206  14.498
  945    H    ILE 127           H        ILE 127   5.522  -5.525  12.728
  946    HA   ILE 127           HA       ILE 127   8.207  -5.793  11.709
  947    HB   ILE 127           HB       ILE 127   5.847  -4.044  11.264
  948   HG12  ILE 127          HG12      ILE 127   6.126  -4.680   8.951
  949   HG13  ILE 127          HG13      ILE 127   7.634  -5.532   9.326
  950   HG21  ILE 127          HG21      ILE 127   8.644  -3.279  10.442
  951   HG22  ILE 127          HG22      ILE 127   7.199  -2.713   9.595
  952   HG23  ILE 127          HG23      ILE 127   7.417  -2.287  11.282
  953   HD11  ILE 127          HD13      ILE 127   6.409  -7.236  10.555
  954   HD12  ILE 127          HD11      ILE 127   4.907  -6.283  10.431
  955   HD13  ILE 127          HD12      ILE 127   5.628  -7.004   8.982
  956    H    LEU 128           H        LEU 128   6.516  -3.532  13.937
  957    HA   LEU 128           HA       LEU 128   8.582  -1.674  14.145
  958    HB2  LEU 128           HB2      LEU 128   6.619  -2.523  16.320
  959    HB3  LEU 128           HB3      LEU 128   7.692  -1.143  16.448
  960    HG   LEU 128           HG       LEU 128   5.440  -1.437  14.426
  961   HD11  LEU 128          HD11      LEU 128   4.466   0.451  15.661
  962   HD12  LEU 128          HD12      LEU 128   4.710  -0.938  16.727
  963   HD13  LEU 128          HD13      LEU 128   5.835   0.430  16.795
  964   HD21  LEU 128          HD23      LEU 128   7.620   0.653  14.714
  965   HD22  LEU 128          HD21      LEU 128   7.098  -0.221  13.262
  966   HD23  LEU 128          HD22      LEU 128   6.047   1.013  13.976
  967    H    GLU 129           H        GLU 129   8.213  -4.646  16.070
  968    HA   GLU 129           HA       GLU 129  10.462  -4.061  17.729
  969    HB2  GLU 129           HB2      GLU 129   8.730  -6.470  17.245
  970    HB3  GLU 129           HB3      GLU 129  10.336  -6.738  17.941
  971    HG2  GLU 129           HG2      GLU 129   9.910  -5.119  19.720
  972    HG3  GLU 129           HG3      GLU 129   8.292  -4.796  19.077
  973    H    GLN 130           H        GLN 130  10.101  -5.695  14.548
  974    HA   GLN 130           HA       GLN 130  12.719  -6.873  14.645
  975    HB2  GLN 130           HB2      GLN 130  10.664  -6.386  12.462
  976    HB3  GLN 130           HB3      GLN 130  12.233  -7.164  12.152
  977    HG2  GLN 130           HG2      GLN 130  11.762  -8.962  13.667
  978    HG3  GLN 130           HG3      GLN 130  10.253  -8.214  14.190
  979   HE21  GLN 130          HE22      GLN 130   8.416  -8.323  12.850
  980   HE22  GLN 130          HE21      GLN 130   8.338  -9.349  11.421
  981    H    LEU 131           H        LEU 131  11.348  -3.770  13.469
  982    HA   LEU 131           HA       LEU 131  13.842  -2.818  12.315
  983    HB2  LEU 131           HB2      LEU 131  11.494  -1.290  13.495
  984    HB3  LEU 131           HB3      LEU 131  12.822  -0.558  12.612
  985    HG   LEU 131           HG       LEU 131  11.022  -2.708  11.369
  986   HD11  LEU 131          HD11      LEU 131  10.547   0.263  11.164
  987   HD12  LEU 131          HD12      LEU 131   9.537  -1.044  10.547
  988   HD13  LEU 131          HD13      LEU 131   9.693  -0.815  12.310
  989   HD21  LEU 131          HD23      LEU 131  11.662  -1.613   9.242
  990   HD22  LEU 131          HD21      LEU 131  12.657  -0.453  10.147
  991   HD23  LEU 131          HD22      LEU 131  13.090  -2.171  10.125
  992    H    LEU 132           H        LEU 132  12.097  -2.197  15.363
  993    HA   LEU 132           HA       LEU 132  14.064  -0.582  16.564
  994    HB2  LEU 132           HB2      LEU 132  11.920  -2.333  17.790
  995    HB3  LEU 132           HB3      LEU 132  12.941  -1.312  18.780
  996    HG   LEU 132           HG       LEU 132  11.288  -0.160  16.501
  997   HD11  LEU 132          HD11      LEU 132   9.637   0.499  18.200
  998   HD12  LEU 132          HD12      LEU 132   9.793  -1.264  18.139
  999   HD13  LEU 132          HD13      LEU 132  10.560  -0.356  19.458
 1000   HD21  LEU 132          HD23      LEU 132  13.148   1.272  17.280
 1001   HD22  LEU 132          HD21      LEU 132  11.581   1.956  17.725
 1002   HD23  LEU 132          HD22      LEU 132  12.565   1.126  18.950
 1003    H    THR 133           H        THR 133  14.397  -3.960  16.031
 1004    HA   THR 133           HA       THR 133  16.640  -4.056  17.968
 1005    HB   THR 133           HB       THR 133  16.235  -6.477  18.123
 1006    HG1  THR 133           HG1      THR 133  13.782  -5.961  16.812
 1007   HG21  THR 133          HG23      THR 133  13.716  -4.898  18.850
 1008   HG22  THR 133          HG21      THR 133  14.257  -6.435  19.541
 1009   HG23  THR 133          HG22      THR 133  15.209  -4.967  19.812
 1010    H    ALA 134           H        ALA 134  16.199  -3.437  14.838
 1011    HA   ALA 134           HA       ALA 134  17.753  -5.316  13.406
 1012    HB1  ALA 134           HB3      ALA 134  16.327  -3.735  12.273
 1013    HB2  ALA 134           HB1      ALA 134  17.230  -2.365  12.958
 1014    HB3  ALA 134           HB2      ALA 134  18.015  -3.423  11.792
 1015    H    SER 135           H        SER 135  19.828  -5.859  13.849
 1016    HA   SER 135           HA       SER 135  21.620  -4.156  15.347
 1017    HB2  SER 135           HB2      SER 135  22.183  -6.691  13.751
 1018    HB3  SER 135           HB3      SER 135  23.180  -6.014  15.049
 1019    HG   SER 135           HG       SER 135  21.474  -6.434  16.501
 1020    H    SER 136           H        SER 136  20.845  -4.448  11.949
 1021    HA   SER 136           HA       SER 136  23.202  -2.840  11.159
 1022    HB2  SER 136           HB2      SER 136  22.420  -5.482   9.846
 1023    HB3  SER 136           HB3      SER 136  23.785  -4.446   9.407
 1024    HG   SER 136           HG       SER 136  24.725  -4.927  11.425
 1025    H    GLU 137           H        GLU 137  22.965  -1.912   9.051
 1026    HA   GLU 137           HA       GLU 137  20.405  -0.846   8.490
 1027    HB2  GLU 137           HB2      GLU 137  22.982  -1.011   6.865
 1028    HB3  GLU 137           HB3      GLU 137  21.584  -0.016   6.382
 1029    HG2  GLU 137           HG2      GLU 137  21.668   1.314   8.259
 1030    HG3  GLU 137           HG3      GLU 137  22.851   0.304   9.099
 1031    H    LYS 138           H        LYS 138  22.151  -3.605   7.007
 1032    HA   LYS 138           HA       LYS 138  20.263  -4.144   4.969
 1033    HB2  LYS 138           HB2      LYS 138  21.988  -6.114   6.539
 1034    HB3  LYS 138           HB3      LYS 138  21.152  -6.477   5.034
 1035    HG2  LYS 138           HG2      LYS 138  23.418  -4.469   5.376
 1036    HG3  LYS 138           HG3      LYS 138  23.525  -6.075   4.651
 1037    HD2  LYS 138           HD2      LYS 138  21.851  -5.332   2.906
 1038    HD3  LYS 138           HD3      LYS 138  21.977  -3.687   3.538
 1039    HE2  LYS 138           HE2      LYS 138  24.292  -5.351   2.442
 1040    HE3  LYS 138           HE3      LYS 138  23.401  -4.133   1.530
 1041    HZ1  LYS 138           HZ3      LYS 138  25.037  -3.587   3.938
 1042    HZ2  LYS 138           HZ1      LYS 138  25.431  -3.219   2.404
 1043    HZ3  LYS 138           HZ2      LYS 138  24.177  -2.461   3.111
 1044    H    GLN 139           H        GLN 139  20.189  -5.071   8.429
 1045    HA   GLN 139           HA       GLN 139  17.937  -6.736   8.176
 1046    HB2  GLN 139           HB2      GLN 139  19.806  -6.219  10.114
 1047    HB3  GLN 139           HB3      GLN 139  18.445  -5.284  10.750
 1048    HG2  GLN 139           HG2      GLN 139  17.008  -7.307  10.467
 1049    HG3  GLN 139           HG3      GLN 139  18.448  -8.177   9.886
 1050   HE21  GLN 139          HE22      GLN 139  16.988  -9.187  12.086
 1051   HE22  GLN 139          HE21      GLN 139  17.939  -8.994  13.537
 1052    H    LEU 140           H        LEU 140  18.222  -3.147   8.564
 1053    HA   LEU 140           HA       LEU 140  15.386  -2.814   9.144
 1054    HB2  LEU 140           HB2      LEU 140  17.493  -0.926   8.055
 1055    HB3  LEU 140           HB3      LEU 140  15.807  -0.498   8.294
 1056    HG   LEU 140           HG       LEU 140  17.456  -1.388  10.607
 1057   HD11  LEU 140          HD11      LEU 140  17.846   0.961  11.101
 1058   HD12  LEU 140          HD12      LEU 140  18.479   0.617   9.494
 1059   HD13  LEU 140          HD13      LEU 140  16.934   1.467   9.675
 1060   HD21  LEU 140          HD23      LEU 140  14.879   0.174  10.478
 1061   HD22  LEU 140          HD21      LEU 140  15.098  -1.518  11.017
 1062   HD23  LEU 140          HD22      LEU 140  15.810  -0.206  11.943
 1063    H    ALA 141           H        ALA 141  17.493  -2.674   6.209
 1064    HA   ALA 141           HA       ALA 141  15.444  -2.235   4.335
 1065    HB1  ALA 141           HB3      ALA 141  17.958  -2.029   4.026
 1066    HB2  ALA 141           HB1      ALA 141  17.977  -3.786   3.766
 1067    HB3  ALA 141           HB2      ALA 141  17.028  -2.731   2.684
 1068    H    ASP 142           H        ASP 142  16.497  -5.363   5.736
 1069    HA   ASP 142           HA       ASP 142  15.163  -7.051   3.911
 1070    HB2  ASP 142           HB2      ASP 142  16.649  -7.910   5.656
 1071    HB3  ASP 142           HB3      ASP 142  15.532  -7.370   6.913
 1072    H    ILE 143           H        ILE 143  13.911  -5.204   6.717
 1073    HA   ILE 143           HA       ILE 143  11.277  -6.288   6.596
 1074    HB   ILE 143           HB       ILE 143  12.532  -3.886   7.968
 1075   HG12  ILE 143          HG12      ILE 143  11.714  -6.583   9.161
 1076   HG13  ILE 143          HG13      ILE 143  13.340  -6.283   8.569
 1077   HG21  ILE 143          HG21      ILE 143  10.546  -3.941   9.440
 1078   HG22  ILE 143          HG22      ILE 143  10.177  -3.489   7.771
 1079   HG23  ILE 143          HG23      ILE 143   9.802  -5.134   8.349
 1080   HD11  ILE 143          HD13      ILE 143  13.472  -5.935  10.861
 1081   HD12  ILE 143          HD11      ILE 143  13.526  -4.334  10.144
 1082   HD13  ILE 143          HD12      ILE 143  12.013  -4.919  10.905
 1083    H    ILE 144           H        ILE 144  12.900  -3.435   5.194
 1084    HA   ILE 144           HA       ILE 144  10.617  -2.270   3.911
 1085    HB   ILE 144           HB       ILE 144  13.486  -2.482   2.866
 1086   HG12  ILE 144          HG12      ILE 144  13.498  -1.245   4.895
 1087   HG13  ILE 144          HG13      ILE 144  13.710  -0.137   3.540
 1088   HG21  ILE 144          HG21      ILE 144  12.950  -0.574   1.389
 1089   HG22  ILE 144          HG22      ILE 144  12.141  -2.075   0.950
 1090   HG23  ILE 144          HG23      ILE 144  11.231  -0.797   1.769
 1091   HD11  ILE 144          HD13      ILE 144  11.148   0.235   3.714
 1092   HD12  ILE 144          HD11      ILE 144  11.297  -0.537   5.307
 1093   HD13  ILE 144          HD12      ILE 144  12.193   0.963   4.954
 1094    H    SER 145           H        SER 145  12.875  -4.802   2.830
 1095    HA   SER 145           HA       SER 145  11.676  -5.083   0.335
 1096    HB2  SER 145           HB2      SER 145  13.291  -7.183   1.864
 1097    HB3  SER 145           HB3      SER 145  13.054  -7.118   0.111
 1098    HG   SER 145           HG       SER 145  14.449  -5.253   1.765
 1099    H    ARG 146           H        ARG 146  10.873  -6.613   3.421
 1100    HA   ARG 146           HA       ARG 146   9.067  -8.625   2.584
 1101    HB2  ARG 146           HB2      ARG 146   9.673  -8.966   4.700
 1102    HB3  ARG 146           HB3      ARG 146   9.999  -7.272   5.027
 1103    HG2  ARG 146           HG2      ARG 146   7.647  -6.797   5.292
 1104    HG3  ARG 146           HG3      ARG 146   7.262  -8.512   4.972
 1105    HD2  ARG 146           HD2      ARG 146   8.937  -7.418   7.290
 1106    HD3  ARG 146           HD3      ARG 146   7.252  -7.900   7.424
 1107    HE   ARG 146           HE       ARG 146   9.613  -9.615   7.292
 1108   HH11  ARG 146          HH11      ARG 146   6.072  -9.560   6.968
 1109   HH12  ARG 146          HH12      ARG 146   5.882 -11.248   7.261
 1110   HH21  ARG 146          HH21      ARG 146   9.355 -11.862   7.669
 1111   HH22  ARG 146          HH22      ARG 146   7.791 -12.580   7.668
 1112    H    GLY 147           H        GLY 147   8.699  -5.120   2.732
 1113    HA2  GLY 147           HA2      GLY 147   5.834  -5.132   3.104
 1114    HA3  GLY 147           HA3      GLY 147   6.877  -3.759   2.711
  Start of MODEL   16
    1    H    MET   1           H1       MET   1   2.391  -1.167  -0.614
    2    HA   MET   1           HA       MET   1   2.784  -2.044  -3.388
    3    HB2  MET   1           HB2      MET   1   1.981   0.471  -2.839
    4    HB3  MET   1           HB3      MET   1   3.705   0.656  -2.426
    5    HG2  MET   1           HG2      MET   1   4.364  -0.006  -4.662
    6    HG3  MET   1           HG3      MET   1   2.706  -0.468  -5.073
    7    HE1  MET   1           HE3      MET   1   3.029   0.877  -7.347
    8    HE2  MET   1           HE1      MET   1   3.492   2.590  -7.417
    9    HE3  MET   1           HE2      MET   1   4.660   1.379  -6.842
   10    H    ARG   2           H        ARG   2   5.064  -2.089  -4.078
   11    HA   ARG   2           HA       ARG   2   6.858  -2.962  -2.145
   12    HB2  ARG   2           HB2      ARG   2   6.895  -2.260  -5.030
   13    HB3  ARG   2           HB3      ARG   2   8.431  -1.956  -4.234
   14    HG2  ARG   2           HG2      ARG   2   8.271  -4.206  -5.211
   15    HG3  ARG   2           HG3      ARG   2   8.630  -4.192  -3.477
   16    HD2  ARG   2           HD2      ARG   2   6.277  -4.811  -2.983
   17    HD3  ARG   2           HD3      ARG   2   5.933  -4.821  -4.716
   18    HE   ARG   2           HE       ARG   2   6.932  -6.867  -4.907
   19   HH11  ARG   2          HH21      ARG   2   7.802  -5.583  -1.664
   20   HH12  ARG   2          HH22      ARG   2   8.807  -6.933  -1.278
   21   HH21  ARG   2          HH11      ARG   2   8.140  -8.716  -4.272
   22   HH22  ARG   2          HH12      ARG   2   8.904  -8.780  -2.730
   23    H    LEU   3           H        LEU   3   7.552  -1.973  -0.477
   24    HA   LEU   3           HA       LEU   3   7.971   0.822  -0.110
   25    HB2  LEU   3           HB2      LEU   3   9.270  -1.645   1.096
   26    HB3  LEU   3           HB3      LEU   3   9.843  -0.045   1.498
   27    HG   LEU   3           HG       LEU   3   8.220  -1.078   3.152
   28   HD11  LEU   3          HD11      LEU   3   7.328   1.572   1.949
   29   HD12  LEU   3          HD12      LEU   3   7.028   0.974   3.594
   30   HD13  LEU   3          HD13      LEU   3   8.681   1.332   3.079
   31   HD21  LEU   3          HD23      LEU   3   6.041  -0.445   1.148
   32   HD22  LEU   3          HD21      LEU   3   6.642  -2.071   1.487
   33   HD23  LEU   3          HD22      LEU   3   5.872  -1.129   2.774
   34    H    SER   4           H        SER   4   9.989  -1.686  -1.643
   35    HA   SER   4           HA       SER   4  12.395  -0.243  -1.875
   36    HB2  SER   4           HB2      SER   4  12.687  -1.968  -3.788
   37    HB3  SER   4           HB3      SER   4  12.496  -2.548  -2.121
   38    HG   SER   4           HG       SER   4  11.179  -3.671  -3.630
   39    H    ASP   5           H        ASP   5   9.352   0.419  -3.470
   40    HA   ASP   5           HA       ASP   5  10.694   1.823  -5.643
   41    HB2  ASP   5           HB2      ASP   5   8.529   0.680  -6.050
   42    HB3  ASP   5           HB3      ASP   5   7.759   1.746  -4.868
   43    H    TYR   6           H        TYR   6   9.324   2.572  -2.483
   44    HA   TYR   6           HA       TYR   6   9.430   5.483  -3.009
   45    HB2  TYR   6           HB2      TYR   6   8.581   3.872  -0.566
   46    HB3  TYR   6           HB3      TYR   6   8.662   5.632  -0.609
   47    HD1  TYR   6           HD1      TYR   6   7.127   6.990  -1.872
   48    HD2  TYR   6           HD2      TYR   6   6.750   2.682  -1.823
   49    HE1  TYR   6           HE1      TYR   6   4.939   7.162  -3.041
   50    HE2  TYR   6           HE2      TYR   6   4.538   2.864  -2.890
   51    HH   TYR   6           HH       TYR   6   2.945   4.290  -3.828
   52    H    PHE   7           H        PHE   7  11.162   2.978  -1.172
   53    HA   PHE   7           HA       PHE   7  12.967   5.031  -0.022
   54    HB2  PHE   7           HB2      PHE   7  12.798   3.730   1.754
   55    HB3  PHE   7           HB3      PHE   7  12.004   2.451   0.869
   56    HD1  PHE   7           HD2      PHE   7  13.235   0.664  -0.177
   57    HD2  PHE   7           HD1      PHE   7  15.113   3.507   2.430
   58    HE1  PHE   7           HE2      PHE   7  15.379  -0.648  -0.298
   59    HE2  PHE   7           HE1      PHE   7  17.226   2.181   2.365
   60    HZ   PHE   7           HZ       PHE   7  17.372   0.137   0.963
   61    HA   PRO   8           HA       PRO   8  15.218   4.178  -3.792
   62    HB2  PRO   8           HB2      PRO   8  16.987   6.232  -3.811
   63    HB3  PRO   8           HB3      PRO   8  15.223   6.466  -3.917
   64    HG2  PRO   8           HG2      PRO   8  16.940   6.698  -1.422
   65    HG3  PRO   8           HG3      PRO   8  15.731   7.858  -2.047
   66    HD2  PRO   8           HD2      PRO   8  15.141   5.969  -0.152
   67    HD3  PRO   8           HD3      PRO   8  13.949   6.543  -1.348
   68    H    GLU   9           H        GLU   9  18.073   5.414  -2.159
   69    HA   GLU   9           HA       GLU   9  19.124   2.899  -1.294
   70    HB2  GLU   9           HB2      GLU   9  19.672   3.133  -3.870
   71    HB3  GLU   9           HB3      GLU   9  20.747   4.450  -3.338
   72    HG2  GLU   9           HG2      GLU   9  22.066   2.936  -2.001
   73    HG3  GLU   9           HG3      GLU   9  20.919   1.619  -2.254
   74    H    SER  10           H        SER  10  21.260   3.387  -0.260
   75    HA   SER  10           HA       SER  10  22.278   4.324   1.390
   76    HB2  SER  10           HB2      SER  10  21.869   7.108   0.272
   77    HB3  SER  10           HB3      SER  10  23.258   6.485   1.165
   78    HG   SER  10           HG       SER  10  23.768   5.211  -0.675
   79    H    SER  11           H        SER  11  19.216   4.367   1.192
   80    HA   SER  11           HA       SER  11  18.394   6.428   3.074
   81    HB2  SER  11           HB2      SER  11  16.130   5.541   2.071
   82    HB3  SER  11           HB3      SER  11  17.219   6.537   1.114
   83    HG   SER  11           HG       SER  11  16.675   3.800   0.850
   84    H    ILE  12           H        ILE  12  19.807   3.824   3.893
   85    HA   ILE  12           HA       ILE  12  18.009   3.364   6.170
   86    HB   ILE  12           HB       ILE  12  19.032   1.289   4.301
   87   HG12  ILE  12          HG12      ILE  12  16.790   1.194   6.371
   88   HG13  ILE  12          HG13      ILE  12  16.594   2.078   4.835
   89   HG21  ILE  12          HG21      ILE  12  20.376   0.794   6.275
   90   HG22  ILE  12          HG22      ILE  12  18.933   0.833   7.322
   91   HG23  ILE  12          HG23      ILE  12  19.123  -0.430   6.095
   92   HD11  ILE  12          HD13      ILE  12  17.150   0.080   3.551
   93   HD12  ILE  12          HD11      ILE  12  17.244  -0.838   5.053
   94   HD13  ILE  12          HD12      ILE  12  15.694  -0.116   4.556
   95    H    SER  13           H        SER  13  19.265   3.501   8.069
   96    HA   SER  13           HA       SER  13  22.062   2.830   7.977
   97    HB2  SER  13           HB2      SER  13  21.196   5.692   8.684
   98    HB3  SER  13           HB3      SER  13  22.796   5.019   9.032
   99    HG   SER  13           HG       SER  13  22.010   4.688   6.431
  100    H    VAL  14           H        VAL  14  22.866   2.417  10.020
  101    HA   VAL  14           HA       VAL  14  20.980   2.629  12.323
  102    HB   VAL  14           HB       VAL  14  23.106   0.525  11.728
  103   HG11  VAL  14          HG11      VAL  14  21.363   0.883  14.217
  104   HG12  VAL  14          HG12      VAL  14  22.387  -0.529  13.879
  105   HG13  VAL  14          HG13      VAL  14  23.130   1.050  14.137
  106   HG21  VAL  14          HG23      VAL  14  20.094   0.214  12.126
  107   HG22  VAL  14          HG21      VAL  14  20.926   0.112  10.567
  108   HG23  VAL  14          HG22      VAL  14  21.250  -1.096  11.808
  109    H    ILE  15           H        ILE  15  21.799   3.825  13.942
  110    HA   ILE  15           HA       ILE  15  24.532   4.998  13.669
  111    HB   ILE  15           HB       ILE  15  21.752   6.207  13.965
  112   HG12  ILE  15          HG12      ILE  15  23.968   6.505  11.914
  113   HG13  ILE  15          HG13      ILE  15  22.323   5.894  11.683
  114   HG21  ILE  15          HG21      ILE  15  23.142   7.278  15.626
  115   HG22  ILE  15          HG22      ILE  15  24.335   7.738  14.380
  116   HG23  ILE  15          HG23      ILE  15  22.666   8.385  14.399
  117   HD11  ILE  15          HD13      ILE  15  21.473   8.212  12.285
  118   HD12  ILE  15          HD11      ILE  15  23.159   8.763  12.268
  119   HD13  ILE  15          HD12      ILE  15  22.424   8.130  10.776
  120    H    HIS  16           H        HIS  16  25.512   5.513  15.710
  121    HA   HIS  16           HA       HIS  16  24.613   3.889  17.899
  122    HB2  HIS  16           HB2      HIS  16  26.995   4.556  17.474
  123    HB3  HIS  16           HB3      HIS  16  26.593   6.201  17.985
  124    HD1  HIS  16           HD1      HIS  16  26.112   2.634  19.515
  125    HD2  HIS  16           HD2      HIS  16  27.117   6.607  20.523
  126    HE1  HIS  16           HE1      HIS  16  26.635   2.640  22.017
  127    H    SER  17           H        SER  17  24.251   7.424  17.153
  128    HA   SER  17           HA       SER  17  22.020   7.727  18.918
  129    HB2  SER  17           HB2      SER  17  24.506   9.273  19.773
  130    HB3  SER  17           HB3      SER  17  22.943   9.151  20.600
  131    HG   SER  17           HG       SER  17  23.793   6.714  20.411
  132    H    ALA  18           H        ALA  18  21.087   9.919  18.495
  133    HA   ALA  18           HA       ALA  18  22.203  11.140  16.036
  134    HB1  ALA  18           HB3      ALA  18  19.717  10.927  16.261
  135    HB2  ALA  18           HB1      ALA  18  19.777  12.048  17.638
  136    HB3  ALA  18           HB2      ALA  18  20.285  12.588  16.040
  137    H    LYS  19           H        LYS  19  23.071  13.243  16.046
  138    HA   LYS  19           HA       LYS  19  24.674  13.956  18.262
  139    HB2  LYS  19           HB2      LYS  19  24.635  14.582  15.641
  140    HB3  LYS  19           HB3      LYS  19  23.809  16.005  16.231
  141    HG2  LYS  19           HG2      LYS  19  26.022  16.671  16.097
  142    HG3  LYS  19           HG3      LYS  19  25.783  16.376  17.818
  143    HD2  LYS  19           HD2      LYS  19  27.960  15.541  17.020
  144    HD3  LYS  19           HD3      LYS  19  26.958  14.223  17.620
  145    HE2  LYS  19           HE2      LYS  19  28.135  13.596  15.557
  146    HE3  LYS  19           HE3      LYS  19  26.377  13.543  15.360
  147    HZ1  LYS  19           HZ3      LYS  19  27.989  15.840  14.442
  148    HZ2  LYS  19           HZ1      LYS  19  27.630  14.567  13.493
  149    HZ3  LYS  19           HZ2      LYS  19  26.415  15.488  14.056
  150    H    ASP  20           H        ASP  20  21.461  15.018  17.256
  151    HA   ASP  20           HA       ASP  20  20.657  15.838  19.849
  152    HB2  ASP  20           HB2      ASP  20  21.892  17.969  18.939
  153    HB3  ASP  20           HB3      ASP  20  20.639  17.960  17.672
  154    H    TRP  21           H        TRP  21  18.282  16.954  19.356
  155    HA   TRP  21           HA       TRP  21  16.860  15.065  17.765
  156    HB2  TRP  21           HB2      TRP  21  14.933  16.229  18.462
  157    HB3  TRP  21           HB3      TRP  21  16.043  16.199  19.817
  158    HD1  TRP  21           HD1      TRP  21  16.882  18.467  20.759
  159    HE1  TRP  21           HE1      TRP  21  16.403  20.933  20.283
  160    HE3  TRP  21           HE3      TRP  21  14.225  17.900  16.446
  161    HZ2  TRP  21           HZ2      TRP  21  15.238  22.488  18.101
  162    HZ3  TRP  21           HZ3      TRP  21  13.576  19.864  15.121
  163    HH2  TRP  21           HH2      TRP  21  14.124  22.153  15.888
  164    H    GLN  22           H        GLN  22  18.021  18.371  17.183
  165    HA   GLN  22           HA       GLN  22  16.929  18.972  14.611
  166    HB2  GLN  22           HB2      GLN  22  19.697  19.503  15.782
  167    HB3  GLN  22           HB3      GLN  22  19.030  20.256  14.326
  168    HG2  GLN  22           HG2      GLN  22  17.240  21.304  15.627
  169    HG3  GLN  22           HG3      GLN  22  17.761  20.470  17.093
  170   HE21  GLN  22          HE21      GLN  22  19.683  21.126  18.196
  171   HE22  GLN  22          HE22      GLN  22  20.444  22.672  17.844
  172    H    GLU  23           H        GLU  23  19.916  17.118  15.547
  173    HA   GLU  23           HA       GLU  23  20.575  16.387  12.875
  174    HB2  GLU  23           HB2      GLU  23  22.004  16.343  15.078
  175    HB3  GLU  23           HB3      GLU  23  21.274  14.744  15.306
  176    HG2  GLU  23           HG2      GLU  23  23.142  14.102  14.148
  177    HG3  GLU  23           HG3      GLU  23  22.107  14.376  12.778
  178    H    ALA  24           H        ALA  24  18.522  14.888  15.350
  179    HA   ALA  24           HA       ALA  24  18.315  12.343  14.100
  180    HB1  ALA  24           HB3      ALA  24  17.772  12.983  16.483
  181    HB2  ALA  24           HB1      ALA  24  16.254  13.689  15.894
  182    HB3  ALA  24           HB2      ALA  24  16.555  11.951  15.687
  183    H    ILE  25           H        ILE  25  16.436  15.382  13.665
  184    HA   ILE  25           HA       ILE  25  14.666  14.295  11.640
  185    HB   ILE  25           HB       ILE  25  15.669  17.155  11.881
  186   HG12  ILE  25          HG12      ILE  25  14.141  15.824  13.860
  187   HG13  ILE  25          HG13      ILE  25  14.572  17.520  13.738
  188   HG21  ILE  25          HG21      ILE  25  13.600  17.709  10.626
  189   HG22  ILE  25          HG22      ILE  25  14.646  16.653   9.723
  190   HG23  ILE  25          HG23      ILE  25  13.214  15.978  10.515
  191   HD11  ILE  25          HD13      ILE  25  12.074  16.215  12.626
  192   HD12  ILE  25          HD11      ILE  25  12.185  17.215  14.088
  193   HD13  ILE  25          HD12      ILE  25  12.463  17.957  12.499
  194    H    ASP  26           H        ASP  26  17.839  15.973  11.624
  195    HA   ASP  26           HA       ASP  26  18.106  16.270   8.862
  196    HB2  ASP  26           HB2      ASP  26  19.557  17.125  10.891
  197    HB3  ASP  26           HB3      ASP  26  20.532  15.690  10.574
  198    H    PHE  27           H        PHE  27  19.206  13.536  10.914
  199    HA   PHE  27           HA       PHE  27  20.114  11.918   8.746
  200    HB2  PHE  27           HB2      PHE  27  19.409  11.394  11.647
  201    HB3  PHE  27           HB3      PHE  27  19.752  10.069  10.550
  202    HD1  PHE  27           HD2      PHE  27  21.918  10.534   8.955
  203    HD2  PHE  27           HD1      PHE  27  21.364  12.023  12.989
  204    HE1  PHE  27           HE2      PHE  27  24.369  10.680   9.250
  205    HE2  PHE  27           HE1      PHE  27  23.813  12.083  13.275
  206    HZ   PHE  27           HZ       PHE  27  25.323  11.446  11.415
  207    H    SER  28           H        SER  28  16.824  12.409  10.145
  208    HA   SER  28           HA       SER  28  15.656  10.113   8.867
  209    HB2  SER  28           HB2      SER  28  14.292  12.777   9.547
  210    HB3  SER  28           HB3      SER  28  13.500  11.269   9.170
  211    HG   SER  28           HG       SER  28  15.264  11.730  11.375
  212    H    MET  29           H        MET  29  16.733  13.238   7.644
  213    HA   MET  29           HA       MET  29  15.256  12.740   5.095
  214    HB2  MET  29           HB2      MET  29  16.295  15.333   6.211
  215    HB3  MET  29           HB3      MET  29  15.185  15.078   4.846
  216    HG2  MET  29           HG2      MET  29  14.295  14.356   7.619
  217    HG3  MET  29           HG3      MET  29  14.338  16.024   7.081
  218    HE1  MET  29           HE3      MET  29  13.229  12.578   5.631
  219    HE2  MET  29           HE1      MET  29  12.472  12.869   7.224
  220    HE3  MET  29           HE2      MET  29  11.457  12.806   5.757
  221    H    VAL  30           H        VAL  30  18.608  13.202   6.259
  222    HA   VAL  30           HA       VAL  30  19.584  14.475   4.008
  223    HB   VAL  30           HB       VAL  30  20.838  14.180   6.096
  224   HG11  VAL  30          HG11      VAL  30  20.397  11.733   6.474
  225   HG12  VAL  30          HG12      VAL  30  21.500  11.360   5.134
  226   HG13  VAL  30          HG13      VAL  30  22.110  12.169   6.592
  227   HG21  VAL  30          HG23      VAL  30  22.376  13.204   3.648
  228   HG22  VAL  30          HG21      VAL  30  21.960  14.886   3.997
  229   HG23  VAL  30          HG22      VAL  30  23.052  14.006   5.084
  230    H    SER  31           H        SER  31  19.023  10.917   4.305
  231    HA   SER  31           HA       SER  31  20.402  10.246   1.943
  232    HB2  SER  31           HB2      SER  31  17.923   8.976   3.147
  233    HB3  SER  31           HB3      SER  31  19.067   8.202   2.029
  234    HG   SER  31           HG       SER  31  20.297   7.798   3.656
  235    H    LEU  32           H        LEU  32  17.218  11.698   2.426
  236    HA   LEU  32           HA       LEU  32  16.347  11.379  -0.356
  237    HB2  LEU  32           HB2      LEU  32  15.304  13.033   1.998
  238    HB3  LEU  32           HB3      LEU  32  14.537  13.015   0.442
  239    HG   LEU  32           HG       LEU  32  14.971  10.511   2.117
  240   HD11  LEU  32          HD11      LEU  32  13.512  12.069   3.314
  241   HD12  LEU  32          HD12      LEU  32  12.474  12.217   1.883
  242   HD13  LEU  32          HD13      LEU  32  12.606  10.663   2.730
  243   HD21  LEU  32          HD23      LEU  32  13.170  11.027  -0.292
  244   HD22  LEU  32          HD21      LEU  32  14.658  10.048  -0.301
  245   HD23  LEU  32          HD22      LEU  32  13.279   9.529   0.645
  246    H    LEU  33           H        LEU  33  17.763  13.911   1.768
  247    HA   LEU  33           HA       LEU  33  17.794  16.014  -0.043
  248    HB2  LEU  33           HB2      LEU  33  18.401  16.036   2.420
  249    HB3  LEU  33           HB3      LEU  33  19.967  15.375   1.974
  250    HG   LEU  33           HG       LEU  33  20.404  17.403   0.583
  251   HD11  LEU  33          HD11      LEU  33  19.025  19.407   0.914
  252   HD12  LEU  33          HD12      LEU  33  18.103  18.148   0.129
  253   HD13  LEU  33          HD13      LEU  33  17.851  18.467   1.863
  254   HD21  LEU  33          HD23      LEU  33  20.992  18.800   2.436
  255   HD22  LEU  33          HD21      LEU  33  19.819  17.983   3.495
  256   HD23  LEU  33          HD22      LEU  33  21.243  17.119   2.886
  257    H    ASP  34           H        ASP  34  20.148  13.384   0.415
  258    HA   ASP  34           HA       ASP  34  22.206  14.360  -1.210
  259    HB2  ASP  34           HB2      ASP  34  22.504  12.615   0.489
  260    HB3  ASP  34           HB3      ASP  34  21.447  11.519  -0.405
  261    H    LYS  35           H        LYS  35  19.354  12.497  -2.159
  262    HA   LYS  35           HA       LYS  35  20.391  12.472  -4.979
  263    HB2  LYS  35           HB2      LYS  35  17.751  11.311  -4.350
  264    HB3  LYS  35           HB3      LYS  35  18.919  10.819  -5.547
  265    HG2  LYS  35           HG2      LYS  35  18.960  10.217  -2.569
  266    HG3  LYS  35           HG3      LYS  35  18.568   9.091  -3.862
  267    HD2  LYS  35           HD2      LYS  35  20.855   9.139  -4.709
  268    HD3  LYS  35           HD3      LYS  35  21.298  10.373  -3.506
  269    HE2  LYS  35           HE2      LYS  35  20.455   8.774  -1.715
  270    HE3  LYS  35           HE3      LYS  35  20.348   7.522  -2.953
  271    HZ1  LYS  35           HZ3      LYS  35  22.812   8.984  -2.167
  272    HZ2  LYS  35           HZ1      LYS  35  22.486   7.395  -1.826
  273    HZ3  LYS  35           HZ2      LYS  35  22.748   7.863  -3.369
  274    H    ASN  36           H        ASN  36  19.263  14.786  -3.245
  275    HA   ASN  36           HA       ASN  36  17.735  16.295  -3.143
  276    HB2  ASN  36           HB2      ASN  36  17.836  17.966  -4.552
  277    HB3  ASN  36           HB3      ASN  36  19.294  17.075  -4.954
  278   HD21  ASN  36          HD22      ASN  36  18.113  15.087  -6.648
  279   HD22  ASN  36          HD21      ASN  36  17.670  15.923  -8.139
  280    H    TYR  37           H        TYR  37  16.383  14.060  -2.840
  281    HA   TYR  37           HA       TYR  37  13.837  14.135  -4.287
  282    HB2  TYR  37           HB2      TYR  37  14.801  12.944  -1.664
  283    HB3  TYR  37           HB3      TYR  37  13.097  13.015  -2.019
  284    HD1  TYR  37           HD2      TYR  37  16.277  11.267  -2.821
  285    HD2  TYR  37           HD1      TYR  37  12.032  11.539  -3.566
  286    HE1  TYR  37           HE2      TYR  37  16.389   9.263  -4.269
  287    HE2  TYR  37           HE1      TYR  37  12.172   9.553  -5.051
  288    HH   TYR  37           HH       TYR  37  15.250   7.892  -5.783
  289    H    ILE  38           H        ILE  38  15.390  16.111  -1.930
  290    HA   ILE  38           HA       ILE  38  13.000  17.775  -1.504
  291    HB   ILE  38           HB       ILE  38  13.624  17.916   0.923
  292   HG12  ILE  38          HG12      ILE  38  15.393  15.495   0.350
  293   HG13  ILE  38          HG13      ILE  38  15.975  17.134   0.668
  294   HG21  ILE  38          HG21      ILE  38  12.590  15.864   1.682
  295   HG22  ILE  38          HG22      ILE  38  11.758  16.448   0.244
  296   HG23  ILE  38          HG23      ILE  38  12.895  15.077   0.129
  297   HD11  ILE  38          HD13      ILE  38  14.933  17.057   2.904
  298   HD12  ILE  38          HD11      ILE  38  14.519  15.341   2.616
  299   HD13  ILE  38          HD12      ILE  38  16.210  15.842   2.612
  300    H    SER  39           H        SER  39  13.718  19.807  -0.408
  301    HA   SER  39           HA       SER  39  16.435  20.739  -1.201
  302    HB2  SER  39           HB2      SER  39  14.058  22.404  -0.283
  303    HB3  SER  39           HB3      SER  39  15.491  22.942  -1.174
  304    HG   SER  39           HG       SER  39  13.373  21.270  -2.090
  305    H    GLU  40           H        GLU  40  17.580  22.023   0.541
  306    HA   GLU  40           HA       GLU  40  17.553  20.738   3.058
  307    HB2  GLU  40           HB2      GLU  40  18.618  23.484   2.270
  308    HB3  GLU  40           HB3      GLU  40  18.965  22.667   3.800
  309    HG2  GLU  40           HG2      GLU  40  19.983  20.767   2.548
  310    HG3  GLU  40           HG3      GLU  40  19.698  21.609   1.031
  311    H    ASN  41           H        ASN  41  15.762  23.617   1.974
  312    HA   ASN  41           HA       ASN  41  14.853  24.574   4.467
  313    HB2  ASN  41           HB2      ASN  41  14.480  25.747   2.312
  314    HB3  ASN  41           HB3      ASN  41  13.340  24.490   1.813
  315   HD21  ASN  41          HD22      ASN  41  11.172  24.492   2.736
  316   HD22  ASN  41          HD21      ASN  41  10.641  25.810   3.754
  317    H    TYR  42           H        TYR  42  13.734  21.763   2.590
  318    HA   TYR  42           HA       TYR  42  11.206  21.376   3.832
  319    HB2  TYR  42           HB2      TYR  42  12.105  20.312   1.717
  320    HB3  TYR  42           HB3      TYR  42  13.158  19.318   2.721
  321    HD1  TYR  42           HD2      TYR  42   9.631  20.055   1.884
  322    HD2  TYR  42           HD1      TYR  42  12.354  17.336   3.821
  323    HE1  TYR  42           HE2      TYR  42   7.828  18.354   2.013
  324    HE2  TYR  42           HE1      TYR  42  10.571  15.616   3.928
  325    HH   TYR  42           HH       TYR  42   7.233  16.289   2.854
  326    H    ILE  43           H        ILE  43  14.495  20.262   4.641
  327    HA   ILE  43           HA       ILE  43  13.851  18.544   6.790
  328    HB   ILE  43           HB       ILE  43  16.409  20.091   6.318
  329   HG12  ILE  43          HG12      ILE  43  15.256  17.512   5.175
  330   HG13  ILE  43          HG13      ILE  43  15.769  18.944   4.274
  331   HG21  ILE  43          HG21      ILE  43  16.075  18.958   8.571
  332   HG22  ILE  43          HG22      ILE  43  15.944  17.417   7.719
  333   HG23  ILE  43          HG23      ILE  43  17.450  18.358   7.635
  334   HD11  ILE  43          HD13      ILE  43  18.082  18.543   4.907
  335   HD12  ILE  43          HD11      ILE  43  17.581  17.036   5.723
  336   HD13  ILE  43          HD12      ILE  43  17.333  17.213   3.976
  337    H    GLN  44           H        GLN  44  14.837  22.035   6.696
  338    HA   GLN  44           HA       GLN  44  14.537  22.372   9.525
  339    HB2  GLN  44           HB2      GLN  44  15.314  24.049   7.263
  340    HB3  GLN  44           HB3      GLN  44  14.221  24.933   8.326
  341    HG2  GLN  44           HG2      GLN  44  16.645  23.379   9.261
  342    HG3  GLN  44           HG3      GLN  44  16.657  25.111   8.924
  343   HE21  GLN  44          HE22      GLN  44  16.663  23.097  11.611
  344   HE22  GLN  44          HE21      GLN  44  15.620  23.995  12.658
  345    H    ALA  45           H        ALA  45  12.240  22.670   6.899
  346    HA   ALA  45           HA       ALA  45  10.151  23.930   8.292
  347    HB1  ALA  45           HB3      ALA  45   9.708  21.581   6.399
  348    HB2  ALA  45           HB1      ALA  45   8.581  22.866   6.802
  349    HB3  ALA  45           HB2      ALA  45  10.045  23.254   5.871
  350    H    ILE  46           H        ILE  46  11.140  20.440   8.464
  351    HA   ILE  46           HA       ILE  46   8.971  19.743  10.251
  352    HB   ILE  46           HB       ILE  46  11.647  18.353   9.841
  353   HG12  ILE  46          HG12      ILE  46   9.050  17.773   8.375
  354   HG13  ILE  46          HG13      ILE  46  10.419  18.618   7.662
  355   HG21  ILE  46          HG21      ILE  46   8.982  17.139  10.690
  356   HG22  ILE  46          HG22      ILE  46  10.592  16.404  10.776
  357   HG23  ILE  46          HG23      ILE  46  10.179  17.717  11.866
  358   HD11  ILE  46          HD13      ILE  46  11.861  16.643   8.001
  359   HD12  ILE  46          HD11      ILE  46  10.471  15.732   8.613
  360   HD13  ILE  46          HD12      ILE  46  10.466  16.317   6.950
  361    H    LYS  47           H        LYS  47  12.481  20.614  10.625
  362    HA   LYS  47           HA       LYS  47  12.518  20.160  13.393
  363    HB2  LYS  47           HB2      LYS  47  14.120  22.092  11.687
  364    HB3  LYS  47           HB3      LYS  47  14.544  21.739  13.359
  365    HG2  LYS  47           HG2      LYS  47  15.177  19.484  12.839
  366    HG3  LYS  47           HG3      LYS  47  14.476  19.588  11.212
  367    HD2  LYS  47           HD2      LYS  47  16.098  21.262  10.554
  368    HD3  LYS  47           HD3      LYS  47  16.822  21.255  12.184
  369    HE2  LYS  47           HE2      LYS  47  17.673  19.043  11.876
  370    HE3  LYS  47           HE3      LYS  47  16.758  18.799  10.397
  371    HZ1  LYS  47           HZ3      LYS  47  19.031  19.315   9.813
  372    HZ2  LYS  47           HZ1      LYS  47  18.164  20.622   9.409
  373    HZ3  LYS  47           HZ2      LYS  47  19.067  20.635  10.773
  374    H    ASP  48           H        ASP  48  11.835  23.219  11.625
  375    HA   ASP  48           HA       ASP  48  11.566  24.882  13.911
  376    HB2  ASP  48           HB2      ASP  48  11.922  25.783  11.674
  377    HB3  ASP  48           HB3      ASP  48  10.403  25.079  11.108
  378    H    SER  49           H        SER  49   9.164  22.945  12.038
  379    HA   SER  49           HA       SER  49   6.904  23.772  13.588
  380    HB2  SER  49           HB2      SER  49   7.313  21.149  12.104
  381    HB3  SER  49           HB3      SER  49   5.777  21.906  12.584
  382    HG   SER  49           HG       SER  49   7.610  22.697  10.607
  383    H    THR  50           H        THR  50   9.390  21.256  14.052
  384    HA   THR  50           HA       THR  50   8.173  20.007  16.296
  385    HB   THR  50           HB       THR  50  11.062  20.094  15.376
  386    HG1  THR  50           HG1      THR  50   9.732  19.188  13.877
  387   HG21  THR  50          HG23      THR  50  11.227  17.912  16.616
  388   HG22  THR  50          HG21      THR  50  11.177  19.366  17.625
  389   HG23  THR  50          HG22      THR  50   9.727  18.355  17.467
  390    H    ILE  51           H        ILE  51  10.463  22.804  16.085
  391    HA   ILE  51           HA       ILE  51  10.576  23.239  18.918
  392    HB   ILE  51           HB       ILE  51  10.871  25.118  16.538
  393   HG12  ILE  51          HG12      ILE  51  12.969  23.970  18.432
  394   HG13  ILE  51          HG13      ILE  51  12.526  23.243  16.895
  395   HG21  ILE  51          HG21      ILE  51  11.904  26.764  18.082
  396   HG22  ILE  51          HG22      ILE  51  10.214  26.505  18.459
  397   HG23  ILE  51          HG23      ILE  51  11.466  25.736  19.464
  398   HD11  ILE  51          HD13      ILE  51  14.536  24.515  16.563
  399   HD12  ILE  51          HD11      ILE  51  13.215  25.328  15.704
  400   HD13  ILE  51          HD12      ILE  51  13.815  25.972  17.253
  401    H    ASN  52           H        ASN  52   8.281  24.346  16.402
  402    HA   ASN  52           HA       ASN  52   6.965  26.295  17.983
  403    HB2  ASN  52           HB2      ASN  52   6.329  24.815  15.428
  404    HB3  ASN  52           HB3      ASN  52   5.001  25.599  16.220
  405   HD21  ASN  52          HD22      ASN  52   8.276  26.255  14.886
  406   HD22  ASN  52          HD21      ASN  52   7.981  27.949  14.581
  407    H    ASN  53           H        ASN  53   6.348  22.829  17.664
  408    HA   ASN  53           HA       ASN  53   4.051  23.032  19.587
  409    HB2  ASN  53           HB2      ASN  53   3.100  23.287  17.412
  410    HB3  ASN  53           HB3      ASN  53   4.163  22.078  16.713
  411   HD21  ASN  53          HD22      ASN  53   2.364  21.148  15.751
  412   HD22  ASN  53          HD21      ASN  53   1.291  20.090  16.652
  413    H    GLY  54           H        GLY  54   5.945  20.666  17.581
  414    HA2  GLY  54           HA2      GLY  54   7.194  19.184  19.484
  415    HA3  GLY  54           HA3      GLY  54   5.538  18.527  19.511
  416    HA   PRO  55           HA       PRO  55   8.442  16.982  16.050
  417    HB2  PRO  55           HB2      PRO  55   8.228  14.246  16.483
  418    HB3  PRO  55           HB3      PRO  55   9.513  15.322  17.106
  419    HG2  PRO  55           HG2      PRO  55   6.984  14.423  18.506
  420    HG3  PRO  55           HG3      PRO  55   8.655  14.491  19.141
  421    HD2  PRO  55           HD2      PRO  55   6.842  16.428  19.707
  422    HD3  PRO  55           HD3      PRO  55   8.539  16.881  19.347
  423    H    TYR  56           H        TYR  56   7.884  16.603  14.104
  424    HA   TYR  56           HA       TYR  56   5.018  16.311  13.562
  425    HB2  TYR  56           HB2      TYR  56   7.287  17.593  12.115
  426    HB3  TYR  56           HB3      TYR  56   5.991  16.871  11.148
  427    HD1  TYR  56           HD1      TYR  56   6.507  19.060  14.145
  428    HD2  TYR  56           HD2      TYR  56   3.946  18.035  10.837
  429    HE1  TYR  56           HE1      TYR  56   4.856  20.727  14.923
  430    HE2  TYR  56           HE2      TYR  56   2.326  19.779  11.544
  431    HH   TYR  56           HH       TYR  56   1.805  21.404  13.156
  432    H    TYR  57           H        TYR  57   5.033  14.362  14.252
  433    HA   TYR  57           HA       TYR  57   3.879  12.538  13.274
  434    HB2  TYR  57           HB2      TYR  57   6.232  12.121  11.475
  435    HB3  TYR  57           HB3      TYR  57   4.912  10.993  11.686
  436    HD1  TYR  57           HD1      TYR  57   2.509  11.721  11.161
  437    HD2  TYR  57           HD2      TYR  57   5.985  13.889   9.822
  438    HE1  TYR  57           HE1      TYR  57   1.142  12.851   9.430
  439    HE2  TYR  57           HE2      TYR  57   4.616  15.123   8.206
  440    HH   TYR  57           HH       TYR  57   1.139  14.424   7.677
  441    H    ILE  58           H        ILE  58   3.753  11.369  15.030
  442    HA   ILE  58           HA       ILE  58   6.004   9.651  15.880
  443    HB   ILE  58           HB       ILE  58   4.103  11.136  17.739
  444   HG12  ILE  58          HG12      ILE  58   5.887  12.647  17.059
  445   HG13  ILE  58          HG13      ILE  58   6.032  12.195  18.748
  446   HG21  ILE  58          HG21      ILE  58   6.186   8.991  18.344
  447   HG22  ILE  58          HG22      ILE  58   5.434  10.029  19.575
  448   HG23  ILE  58          HG23      ILE  58   4.440   8.922  18.629
  449   HD11  ILE  58          HD13      ILE  58   8.247  12.226  17.794
  450   HD12  ILE  58          HD11      ILE  58   7.835  10.541  18.099
  451   HD13  ILE  58          HD12      ILE  58   7.748  11.188  16.451
  452    H    LEU  59           H        LEU  59   5.264   7.549  16.143
  453    HA   LEU  59           HA       LEU  59   2.391   7.084  15.418
  454    HB2  LEU  59           HB2      LEU  59   4.938   5.684  14.503
  455    HB3  LEU  59           HB3      LEU  59   3.350   4.970  14.338
  456    HG   LEU  59           HG       LEU  59   3.928   5.858  12.255
  457   HD11  LEU  59          HD11      LEU  59   2.090   7.275  11.704
  458   HD12  LEU  59          HD12      LEU  59   1.562   6.129  12.942
  459   HD13  LEU  59          HD13      LEU  59   1.913   7.820  13.382
  460   HD21  LEU  59          HD23      LEU  59   5.633   7.506  12.861
  461   HD22  LEU  59          HD21      LEU  59   4.417   8.129  11.738
  462   HD23  LEU  59          HD22      LEU  59   4.353   8.623  13.413
  463    H    ALA  60           H        ALA  60   5.100   6.085  17.454
  464    HA   ALA  60           HA       ALA  60   3.323   4.784  19.307
  465    HB1  ALA  60           HB3      ALA  60   5.462   3.132  17.852
  466    HB2  ALA  60           HB1      ALA  60   4.527   2.591  19.255
  467    HB3  ALA  60           HB2      ALA  60   3.709   2.888  17.713
  468    HA   PRO  61           HA       PRO  61   6.716   6.192  21.948
  469    HB2  PRO  61           HB2      PRO  61   6.619   3.450  23.223
  470    HB3  PRO  61           HB3      PRO  61   6.685   5.058  24.005
  471    HG2  PRO  61           HG2      PRO  61   4.342   3.702  23.852
  472    HG3  PRO  61           HG3      PRO  61   4.384   5.466  23.529
  473    HD2  PRO  61           HD2      PRO  61   4.331   3.193  21.533
  474    HD3  PRO  61           HD3      PRO  61   3.402   4.724  21.530
  475    H    GLY  62           H        GLY  62   8.636   6.366  20.894
  476    HA2  GLY  62           HA2      GLY  62  10.838   5.565  20.551
  477    HA3  GLY  62           HA3      GLY  62  10.242   3.926  20.355
  478    H    VAL  63           H        VAL  63   8.095   5.686  18.472
  479    HA   VAL  63           HA       VAL  63   9.767   5.305  16.034
  480    HB   VAL  63           HB       VAL  63   6.875   4.457  16.432
  481   HG11  VAL  63          HG11      VAL  63   7.491   5.044  14.084
  482   HG12  VAL  63          HG12      VAL  63   8.780   3.841  14.127
  483   HG13  VAL  63          HG13      VAL  63   7.073   3.342  14.237
  484   HG21  VAL  63          HG23      VAL  63   7.868   2.113  16.257
  485   HG22  VAL  63          HG21      VAL  63   9.454   2.847  16.547
  486   HG23  VAL  63          HG22      VAL  63   8.173   2.955  17.770
  487    H    ALA  64           H        ALA  64   9.748   6.970  14.667
  488    HA   ALA  64           HA       ALA  64   7.531   8.957  14.680
  489    HB1  ALA  64           HB3      ALA  64  10.512   9.506  14.312
  490    HB2  ALA  64           HB1      ALA  64   9.221  10.715  14.250
  491    HB3  ALA  64           HB2      ALA  64   9.574   9.895  15.775
  492    H    MET  65           H        MET  65   7.484  10.196  12.560
  493    HA   MET  65           HA       MET  65   8.636   8.683  10.323
  494    HB2  MET  65           HB2      MET  65   6.461   7.672  10.689
  495    HB3  MET  65           HB3      MET  65   5.711   9.267  10.459
  496    HG2  MET  65           HG2      MET  65   7.300   8.859   8.171
  497    HG3  MET  65           HG3      MET  65   6.601   7.289   8.505
  498    HE1  MET  65           HE3      MET  65   4.033   7.077   9.078
  499    HE2  MET  65           HE1      MET  65   3.472   8.635   9.753
  500    HE3  MET  65           HE2      MET  65   2.791   8.025   8.218
  501    HA   PRO  66           HA       PRO  66   8.642  13.361  10.333
  502    HB2  PRO  66           HB2      PRO  66  11.457  12.905   9.278
  503    HB3  PRO  66           HB3      PRO  66  10.866  14.202  10.365
  504    HG2  PRO  66           HG2      PRO  66  12.144  12.105  11.444
  505    HG3  PRO  66           HG3      PRO  66  10.619  12.664  12.191
  506    HD2  PRO  66           HD2      PRO  66  10.999  10.376  10.226
  507    HD3  PRO  66           HD3      PRO  66  10.148  10.382  11.795
  508    H    HIS  67           H        HIS  67   8.325  14.763   8.708
  509    HA   HIS  67           HA       HIS  67   8.556  14.519   5.898
  510    HB2  HIS  67           HB2      HIS  67   7.120  12.621   5.896
  511    HB3  HIS  67           HB3      HIS  67   6.123  13.242   7.185
  512    HD1  HIS  67           HD1      HIS  67   3.889  14.383   6.486
  513    HD2  HIS  67           HD2      HIS  67   6.598  13.810   3.297
  514    HE1  HIS  67           HE1      HIS  67   2.651  14.949   4.360
  515    H    ALA  68           H        ALA  68   7.415  16.313   4.924
  516    HA   ALA  68           HA       ALA  68   5.896  18.206   6.611
  517    HB1  ALA  68           HB3      ALA  68   7.167  20.104   5.665
  518    HB2  ALA  68           HB1      ALA  68   8.178  19.108   6.709
  519    HB3  ALA  68           HB2      ALA  68   8.333  18.977   4.946
  520    H    ARG  69           H        ARG  69   4.660  19.686   5.203
  521    HA   ARG  69           HA       ARG  69   3.329  18.259   3.150
  522    HB2  ARG  69           HB2      ARG  69   3.566  21.249   3.640
  523    HB3  ARG  69           HB3      ARG  69   2.427  20.507   2.496
  524    HG2  ARG  69           HG2      ARG  69   1.559  19.169   4.571
  525    HG3  ARG  69           HG3      ARG  69   2.454  20.351   5.531
  526    HD2  ARG  69           HD2      ARG  69   0.062  20.782   3.725
  527    HD3  ARG  69           HD3      ARG  69   0.216  21.137   5.436
  528    HE   ARG  69           HE       ARG  69   1.548  23.058   4.960
  529   HH11  ARG  69          HH21      ARG  69   0.093  21.627   2.004
  530   HH12  ARG  69          HH22      ARG  69   0.498  23.040   1.044
  531   HH21  ARG  69          HH11      ARG  69   1.976  24.899   3.536
  532   HH22  ARG  69          HH12      ARG  69   1.486  24.767   1.858
  533    HA   PRO  70           HA       PRO  70   6.096  18.208  -0.274
  534    HB2  PRO  70           HB2      PRO  70   3.712  19.379  -1.803
  535    HB3  PRO  70           HB3      PRO  70   4.848  18.129  -2.355
  536    HG2  PRO  70           HG2      PRO  70   2.446  17.427  -1.330
  537    HG3  PRO  70           HG3      PRO  70   3.901  16.523  -0.805
  538    HD2  PRO  70           HD2      PRO  70   2.380  18.661   0.664
  539    HD3  PRO  70           HD3      PRO  70   3.196  17.196   1.291
  540    H    GLU  71           H        GLU  71   4.036  21.162  -0.099
  541    HA   GLU  71           HA       GLU  71   5.544  22.882  -1.705
  542    HB2  GLU  71           HB2      GLU  71   3.804  23.601   0.694
  543    HB3  GLU  71           HB3      GLU  71   4.281  24.683  -0.621
  544    HG2  GLU  71           HG2      GLU  71   3.089  23.088  -2.220
  545    HG3  GLU  71           HG3      GLU  71   2.431  22.278  -0.787
  546    H    CYS  72           H        CYS  72   6.505  21.654   1.357
  547    HA   CYS  72           HA       CYS  72   7.935  24.036   2.271
  548    HB2  CYS  72           HB2      CYS  72   8.083  21.140   3.224
  549    HB3  CYS  72           HB3      CYS  72   8.771  22.559   4.031
  550    HG   CYS  72           HG       CYS  72   5.670  21.707   3.395
  551    H    GLY  73           H        GLY  73   8.506  21.889  -0.256
  552    HA2  GLY  73           HA2      GLY  73  10.508  22.614  -1.523
  553    HA3  GLY  73           HA3      GLY  73  11.473  22.312  -0.076
  554    H    ALA  74           H        ALA  74   8.851  20.027  -0.820
  555    HA   ALA  74           HA       ALA  74  10.760  17.865  -1.289
  556    HB1  ALA  74           HB3      ALA  74   8.557  17.413  -0.277
  557    HB2  ALA  74           HB1      ALA  74   7.783  17.991  -1.780
  558    HB3  ALA  74           HB2      ALA  74   8.799  16.533  -1.795
  559    H    LEU  75           H        LEU  75  11.210  16.900  -3.268
  560    HA   LEU  75           HA       LEU  75  10.587  18.489  -5.728
  561    HB2  LEU  75           HB2      LEU  75  13.217  17.218  -4.907
  562    HB3  LEU  75           HB3      LEU  75  12.917  18.031  -6.437
  563    HG   LEU  75           HG       LEU  75  12.886  19.358  -3.691
  564   HD11  LEU  75          HD11      LEU  75  15.000  20.396  -4.407
  565   HD12  LEU  75          HD12      LEU  75  15.134  18.635  -4.377
  566   HD13  LEU  75          HD13      LEU  75  14.953  19.476  -5.928
  567   HD21  LEU  75          HD23      LEU  75  12.875  21.493  -4.964
  568   HD22  LEU  75          HD21      LEU  75  12.694  20.588  -6.484
  569   HD23  LEU  75          HD22      LEU  75  11.407  20.565  -5.260
  570    H    LYS  76           H        LYS  76  11.196  15.307  -4.263
  571    HA   LYS  76           HA       LYS  76   9.881  14.034  -6.554
  572    HB2  LYS  76           HB2      LYS  76  12.367  13.002  -5.198
  573    HB3  LYS  76           HB3      LYS  76  11.519  12.195  -6.512
  574    HG2  LYS  76           HG2      LYS  76  12.329  13.944  -8.070
  575    HG3  LYS  76           HG3      LYS  76  13.088  14.815  -6.713
  576    HD2  LYS  76           HD2      LYS  76  14.487  12.814  -6.208
  577    HD3  LYS  76           HD3      LYS  76  13.788  11.985  -7.611
  578    HE2  LYS  76           HE2      LYS  76  14.716  13.696  -9.113
  579    HE3  LYS  76           HE3      LYS  76  15.325  14.620  -7.729
  580    HZ1  LYS  76           HZ3      LYS  76  16.206  11.863  -8.383
  581    HZ2  LYS  76           HZ1      LYS  76  17.023  13.201  -8.808
  582    HZ3  LYS  76           HZ2      LYS  76  16.843  12.843  -7.222
  583    H    THR  77           H        THR  77   8.864  11.931  -5.817
  584    HA   THR  77           HA       THR  77   8.326  11.929  -2.987
  585    HB   THR  77           HB       THR  77   7.302  10.323  -5.350
  586    HG1  THR  77           HG1      THR  77   6.033  11.931  -5.656
  587   HG21  THR  77          HG23      THR  77   5.452   9.681  -3.891
  588   HG22  THR  77          HG21      THR  77   6.980   9.160  -3.187
  589   HG23  THR  77          HG22      THR  77   6.166  10.607  -2.540
  590    H    GLY  78           H        GLY  78   9.324  10.593  -1.519
  591    HA2  GLY  78           HA2      GLY  78  10.279   7.996  -2.209
  592    HA3  GLY  78           HA3      GLY  78  11.631   9.130  -2.049
  593    H    MET  79           H        MET  79  11.918   7.310  -0.255
  594    HA   MET  79           HA       MET  79  10.981   8.399   2.341
  595    HB2  MET  79           HB2      MET  79  10.631   5.567   1.272
  596    HB3  MET  79           HB3      MET  79  10.731   5.902   2.996
  597    HG2  MET  79           HG2      MET  79   8.755   7.262   2.969
  598    HG3  MET  79           HG3      MET  79   8.642   7.192   1.212
  599    HE1  MET  79           HE3      MET  79   8.173   3.399   3.879
  600    HE2  MET  79           HE1      MET  79   9.739   3.881   3.218
  601    HE3  MET  79           HE2      MET  79   8.914   4.918   4.412
  602    H    SER  80           H        SER  80  12.214   7.287   4.192
  603    HA   SER  80           HA       SER  80  14.581   5.761   3.550
  604    HB2  SER  80           HB2      SER  80  14.863   8.573   4.711
  605    HB3  SER  80           HB3      SER  80  16.146   7.349   4.741
  606    HG   SER  80           HG       SER  80  14.962   7.782   2.271
  607    H    LEU  81           H        LEU  81  15.615   4.999   5.581
  608    HA   LEU  81           HA       LEU  81  13.831   4.918   7.961
  609    HB2  LEU  81           HB2      LEU  81  15.153   2.827   6.243
  610    HB3  LEU  81           HB3      LEU  81  15.297   2.566   7.968
  611    HG   LEU  81           HG       LEU  81  12.874   2.596   8.209
  612   HD11  LEU  81          HD11      LEU  81  12.120   4.016   6.376
  613   HD12  LEU  81          HD12      LEU  81  12.897   2.974   5.168
  614   HD13  LEU  81          HD13      LEU  81  11.467   2.415   6.058
  615   HD21  LEU  81          HD23      LEU  81  12.383   0.469   6.967
  616   HD22  LEU  81          HD21      LEU  81  13.936   0.662   6.121
  617   HD23  LEU  81          HD22      LEU  81  13.877   0.455   7.886
  618    H    THR  82           H        THR  82  14.894   5.369   9.888
  619    HA   THR  82           HA       THR  82  17.871   5.291   9.968
  620    HB   THR  82           HB       THR  82  16.021   7.429  11.144
  621    HG1  THR  82           HG1      THR  82  16.393   7.577   8.869
  622   HG21  THR  82          HG23      THR  82  18.167   8.586  11.710
  623   HG22  THR  82          HG21      THR  82  17.924   7.080  12.601
  624   HG23  THR  82          HG22      THR  82  19.055   7.112  11.231
  625    H    LEU  83           H        LEU  83  18.575   4.194  11.745
  626    HA   LEU  83           HA       LEU  83  16.677   3.950  14.029
  627    HB2  LEU  83           HB2      LEU  83  16.954   1.802  12.648
  628    HB3  LEU  83           HB3      LEU  83  18.652   1.820  13.119
  629    HG   LEU  83           HG       LEU  83  17.768   1.849  15.578
  630   HD11  LEU  83          HD11      LEU  83  15.244   0.765  14.247
  631   HD12  LEU  83          HD12      LEU  83  15.568   1.045  15.981
  632   HD13  LEU  83          HD13      LEU  83  15.382   2.411  14.887
  633   HD21  LEU  83          HD23      LEU  83  18.847  -0.098  14.591
  634   HD22  LEU  83          HD21      LEU  83  17.455  -0.606  15.565
  635   HD23  LEU  83          HD22      LEU  83  17.324  -0.543  13.796
  636    H    LEU  84           H        LEU  84  17.578   4.132  16.060
  637    HA   LEU  84           HA       LEU  84  20.461   4.875  16.259
  638    HB2  LEU  84           HB2      LEU  84  18.136   5.582  18.096
  639    HB3  LEU  84           HB3      LEU  84  19.825   5.939  18.369
  640    HG   LEU  84           HG       LEU  84  18.918   7.929  17.831
  641   HD11  LEU  84          HD11      LEU  84  21.038   7.368  16.595
  642   HD12  LEU  84          HD12      LEU  84  20.053   6.989  15.165
  643   HD13  LEU  84          HD13      LEU  84  20.077   8.636  15.806
  644   HD21  LEU  84          HD23      LEU  84  17.578   6.787  15.344
  645   HD22  LEU  84          HD21      LEU  84  16.774   7.241  16.860
  646   HD23  LEU  84          HD22      LEU  84  17.566   8.480  15.877
  647    H    GLU  85           H        GLU  85  21.695   3.702  17.752
  648    HA   GLU  85           HA       GLU  85  20.538   1.477  19.186
  649    HB2  GLU  85           HB2      GLU  85  23.258   2.815  19.500
  650    HB3  GLU  85           HB3      GLU  85  22.757   1.313  20.275
  651    HG2  GLU  85           HG2      GLU  85  22.372   0.320  17.990
  652    HG3  GLU  85           HG3      GLU  85  23.089   1.771  17.282
  653    H    GLN  86           H        GLN  86  21.397   4.822  19.884
  654    HA   GLN  86           HA       GLN  86  19.859   4.735  22.435
  655    HB2  GLN  86           HB2      GLN  86  22.136   6.654  21.902
  656    HB3  GLN  86           HB3      GLN  86  21.258   6.379  23.397
  657    HG2  GLN  86           HG2      GLN  86  22.224   4.021  23.416
  658    HG3  GLN  86           HG3      GLN  86  23.256   4.508  22.061
  659   HE21  GLN  86          HE22      GLN  86  24.386   6.857  22.572
  660   HE22  GLN  86          HE21      GLN  86  25.146   6.913  24.146
  661    H    GLY  87           H        GLY  87  17.956   5.312  21.526
  662    HA2  GLY  87           HA2      GLY  87  17.436   7.255  19.563
  663    HA3  GLY  87           HA3      GLY  87  16.306   6.700  20.804
  664    H    VAL  88           H        VAL  88  16.286   9.287  19.857
  665    HA   VAL  88           HA       VAL  88  17.284  10.935  22.133
  666    HB   VAL  88           HB       VAL  88  17.453  11.489  19.132
  667   HG11  VAL  88          HG11      VAL  88  16.920  13.595  20.256
  668   HG12  VAL  88          HG12      VAL  88  18.251  13.334  21.417
  669   HG13  VAL  88          HG13      VAL  88  18.582  13.576  19.682
  670   HG21  VAL  88          HG23      VAL  88  19.236  10.036  19.798
  671   HG22  VAL  88          HG21      VAL  88  19.951  11.660  19.765
  672   HG23  VAL  88          HG22      VAL  88  19.514  10.932  21.308
  673    H    TYR  89           H        TYR  89  15.924  12.749  22.601
  674    HA   TYR  89           HA       TYR  89  13.092  12.250  21.810
  675    HB2  TYR  89           HB2      TYR  89  12.361  12.583  23.887
  676    HB3  TYR  89           HB3      TYR  89  13.881  11.811  24.257
  677    HD1  TYR  89           HD2      TYR  89  11.986  14.950  24.217
  678    HD2  TYR  89           HD1      TYR  89  15.703  13.101  25.352
  679    HE1  TYR  89           HE2      TYR  89  12.516  16.921  25.645
  680    HE2  TYR  89           HE1      TYR  89  16.263  15.058  26.770
  681    HH   TYR  89           HH       TYR  89  15.574  17.149  27.538
  682    H    PHE  90           H        PHE  90  11.765  14.299  22.252
  683    HA   PHE  90           HA       PHE  90  13.034  16.473  20.624
  684    HB2  PHE  90           HB2      PHE  90  10.426  15.007  20.638
  685    HB3  PHE  90           HB3      PHE  90  10.610  16.533  19.757
  686    HD1  PHE  90           HD2      PHE  90  12.731  16.708  18.146
  687    HD2  PHE  90           HD1      PHE  90  10.890  12.992  19.347
  688    HE1  PHE  90           HE2      PHE  90  13.640  15.601  16.130
  689    HE2  PHE  90           HE1      PHE  90  11.831  11.898  17.322
  690    HZ   PHE  90           HZ       PHE  90  13.191  13.196  15.712
  691    HA   PRO  91           HA       PRO  91  11.658  19.430  23.530
  692    HB2  PRO  91           HB2      PRO  91  10.854  21.596  21.981
  693    HB3  PRO  91           HB3      PRO  91  12.548  21.098  22.267
  694    HG2  PRO  91           HG2      PRO  91  10.762  20.369  19.926
  695    HG3  PRO  91           HG3      PRO  91  12.437  21.019  19.875
  696    HD2  PRO  91           HD2      PRO  91  11.990  18.384  19.632
  697    HD3  PRO  91           HD3      PRO  91  13.334  18.954  20.664
  698    H    GLY  92           H        GLY  92   9.264  17.929  21.629
  699    HA2  GLY  92           HA2      GLY  92   7.174  18.883  23.516
  700    HA3  GLY  92           HA3      GLY  92   6.834  18.837  21.785
  701    H    ASN  93           H        ASN  93   8.944  16.278  23.014
  702    HA   ASN  93           HA       ASN  93   6.815  14.494  23.832
  703    HB2  ASN  93           HB2      ASN  93   6.495  13.959  21.521
  704    HB3  ASN  93           HB3      ASN  93   8.236  14.074  21.208
  705   HD21  ASN  93          HD22      ASN  93   8.993  12.089  20.714
  706   HD22  ASN  93          HD21      ASN  93   8.907  10.754  21.814
  707    H    ASP  94           H        ASP  94   7.786  13.882  25.648
  708    HA   ASP  94           HA       ASP  94  10.603  14.062  26.057
  709    HB2  ASP  94           HB2      ASP  94   8.922  14.578  27.772
  710    HB3  ASP  94           HB3      ASP  94   8.365  12.903  27.757
  711    H    GLU  95           H        GLU  95   8.663  11.319  24.915
  712    HA   GLU  95           HA       GLU  95  10.385   9.291  26.011
  713    HB2  GLU  95           HB2      GLU  95   7.993   8.928  25.707
  714    HB3  GLU  95           HB3      GLU  95   8.084   9.487  24.039
  715    HG2  GLU  95           HG2      GLU  95   7.912   7.237  23.867
  716    HG3  GLU  95           HG3      GLU  95   9.594   7.624  23.516
  717    HA   PRO  96           HA       PRO  96  13.165  10.187  22.580
  718    HB2  PRO  96           HB2      PRO  96  15.026   8.231  22.898
  719    HB3  PRO  96           HB3      PRO  96  14.865   9.615  24.028
  720    HG2  PRO  96           HG2      PRO  96  13.771   6.795  24.334
  721    HG3  PRO  96           HG3      PRO  96  14.634   7.783  25.554
  722    HD2  PRO  96           HD2      PRO  96  11.860   7.585  25.383
  723    HD3  PRO  96           HD3      PRO  96  12.703   9.032  26.030
  724    H    ILE  97           H        ILE  97  13.572   9.447  20.497
  725    HA   ILE  97           HA       ILE  97  11.934   7.130  19.605
  726    HB   ILE  97           HB       ILE  97  12.953   9.589  18.136
  727   HG12  ILE  97          HG12      ILE  97  11.181  10.281  19.589
  728   HG13  ILE  97          HG13      ILE  97  10.540  10.207  17.961
  729   HG21  ILE  97          HG21      ILE  97  11.640   8.827  16.235
  730   HG22  ILE  97          HG22      ILE  97  12.845   7.611  16.623
  731   HG23  ILE  97          HG23      ILE  97  11.156   7.361  17.090
  732   HD11  ILE  97          HD13      ILE  97   9.351   8.128  18.460
  733   HD12  ILE  97          HD11      ILE  97  10.047   8.094  20.103
  734   HD13  ILE  97          HD12      ILE  97   8.942   9.375  19.645
  735    H    LYS  98           H        LYS  98  12.986   5.385  18.991
  736    HA   LYS  98           HA       LYS  98  15.912   5.523  18.435
  737    HB2  LYS  98           HB2      LYS  98  13.976   3.311  19.145
  738    HB3  LYS  98           HB3      LYS  98  15.416   2.943  18.188
  739    HG2  LYS  98           HG2      LYS  98  16.869   3.875  19.940
  740    HG3  LYS  98           HG3      LYS  98  15.452   4.289  20.916
  741    HD2  LYS  98           HD2      LYS  98  16.542   2.206  21.687
  742    HD3  LYS  98           HD3      LYS  98  14.871   1.935  21.170
  743    HE2  LYS  98           HE2      LYS  98  15.682   1.074  18.983
  744    HE3  LYS  98           HE3      LYS  98  17.354   1.358  19.472
  745    HZ1  LYS  98           HZ3      LYS  98  15.528  -0.462  20.934
  746    HZ2  LYS  98           HZ1      LYS  98  16.470  -0.956  19.703
  747    HZ3  LYS  98           HZ2      LYS  98  17.157  -0.367  21.082
  748    H    LEU  99           H        LEU  99  12.766   5.266  16.806
  749    HA   LEU  99           HA       LEU  99  14.209   4.550  14.307
  750    HB2  LEU  99           HB2      LEU  99  13.049   2.584  15.216
  751    HB3  LEU  99           HB3      LEU  99  11.615   3.557  15.537
  752    HG   LEU  99           HG       LEU  99  11.195   3.781  13.103
  753   HD11  LEU  99          HD11      LEU  99  13.442   3.472  12.159
  754   HD12  LEU  99          HD12      LEU  99  13.536   1.827  12.813
  755   HD13  LEU  99          HD13      LEU  99  12.369   2.224  11.536
  756   HD21  LEU  99          HD23      LEU  99  11.487   0.911  14.057
  757   HD22  LEU  99          HD21      LEU  99  10.195   2.003  14.557
  758   HD23  LEU  99          HD22      LEU  99  10.317   1.554  12.868
  759    H    LEU 100           H        LEU 100  13.851   5.782  12.607
  760    HA   LEU 100           HA       LEU 100  11.456   7.559  12.611
  761    HB2  LEU 100           HB2      LEU 100  14.178   8.515  11.662
  762    HB3  LEU 100           HB3      LEU 100  12.703   9.426  11.855
  763    HG   LEU 100           HG       LEU 100  13.023   8.532  14.408
  764   HD11  LEU 100          HD11      LEU 100  15.340   8.668  15.110
  765   HD12  LEU 100          HD12      LEU 100  15.196   7.386  13.901
  766   HD13  LEU 100          HD13      LEU 100  15.871   8.960  13.440
  767   HD21  LEU 100          HD23      LEU 100  13.821  10.668  15.086
  768   HD22  LEU 100          HD21      LEU 100  14.441  11.022  13.466
  769   HD23  LEU 100          HD22      LEU 100  12.690  10.893  13.741
  770    H    ILE 101           H        ILE 101  10.458   7.626  10.634
  771    HA   ILE 101           HA       ILE 101  11.916   6.465   8.319
  772    HB   ILE 101           HB       ILE 101   9.070   5.855   9.235
  773   HG12  ILE 101          HG12      ILE 101  11.688   4.400   8.735
  774   HG13  ILE 101          HG13      ILE 101  10.744   4.461  10.209
  775   HG21  ILE 101          HG21      ILE 101   8.745   4.715   7.062
  776   HG22  ILE 101          HG22      ILE 101   8.865   6.454   6.896
  777   HG23  ILE 101          HG23      ILE 101  10.261   5.438   6.465
  778   HD11  ILE 101          HD13      ILE 101   9.982   2.921   7.703
  779   HD12  ILE 101          HD11      ILE 101  10.761   2.261   9.140
  780   HD13  ILE 101          HD12      ILE 101   9.124   2.909   9.272
  781    H    GLY 102           H        GLY 102  12.409   7.989   6.997
  782    HA2  GLY 102           HA2      GLY 102  11.059  10.578   6.978
  783    HA3  GLY 102           HA3      GLY 102  12.409  10.067   5.958
  784    H    LEU 103           H        LEU 103   9.723  11.306   5.289
  785    HA   LEU 103           HA       LEU 103   9.321   9.694   2.859
  786    HB2  LEU 103           HB2      LEU 103   7.464   9.085   4.562
  787    HB3  LEU 103           HB3      LEU 103   7.007  10.768   4.524
  788    HG   LEU 103           HG       LEU 103   6.619   8.584   2.466
  789   HD11  LEU 103          HD11      LEU 103   4.952   9.379   4.312
  790   HD12  LEU 103          HD12      LEU 103   4.817  10.883   3.420
  791   HD13  LEU 103          HD13      LEU 103   4.326   9.356   2.663
  792   HD21  LEU 103          HD23      LEU 103   6.550  11.546   1.789
  793   HD22  LEU 103          HD21      LEU 103   7.418  10.192   0.970
  794   HD23  LEU 103          HD22      LEU 103   5.681  10.325   0.879
  795    H    SER 104           H        SER 104   9.280  11.167   1.130
  796    HA   SER 104           HA       SER 104   8.550  13.987   1.608
  797    HB2  SER 104           HB2      SER 104  10.250  14.718   0.016
  798    HB3  SER 104           HB3      SER 104  10.986  13.983   1.450
  799    HG   SER 104           HG       SER 104  10.843  13.041  -1.196
  800    H    ALA 105           H        ALA 105   7.365  14.851  -0.262
  801    HA   ALA 105           HA       ALA 105   6.746  12.901  -2.396
  802    HB1  ALA 105           HB3      ALA 105   4.659  14.164  -0.594
  803    HB2  ALA 105           HB1      ALA 105   4.358  13.181  -2.042
  804    HB3  ALA 105           HB2      ALA 105   5.118  12.440  -0.618
  805    H    ALA 106           H        ALA 106   6.494  13.901  -4.319
  806    HA   ALA 106           HA       ALA 106   6.897  16.751  -4.472
  807    HB1  ALA 106           HB3      ALA 106   7.811  15.197  -6.163
  808    HB2  ALA 106           HB1      ALA 106   6.160  14.713  -6.625
  809    HB3  ALA 106           HB2      ALA 106   6.719  16.374  -6.915
  810    H    ASP 107           H        ASP 107   4.063  14.716  -4.203
  811    HA   ASP 107           HA       ASP 107   2.305  17.073  -4.432
  812    HB2  ASP 107           HB2      ASP 107   2.295  16.127  -6.714
  813    HB3  ASP 107           HB3      ASP 107   1.919  14.530  -6.068
  814    H    ALA 108           H        ALA 108   0.273  16.723  -3.327
  815    HA   ALA 108           HA       ALA 108   0.590  15.328  -0.922
  816    HB1  ALA 108           HB3      ALA 108  -0.865  17.298  -1.176
  817    HB2  ALA 108           HB1      ALA 108  -1.973  16.356  -2.207
  818    HB3  ALA 108           HB2      ALA 108  -1.764  15.926  -0.499
  819    H    ASP 109           H        ASP 109  -0.920  14.197  -3.957
  820    HA   ASP 109           HA       ASP 109  -2.155  11.881  -2.627
  821    HB2  ASP 109           HB2      ASP 109  -3.209  12.807  -4.584
  822    HB3  ASP 109           HB3      ASP 109  -1.734  12.560  -5.544
  823    H    SER 110           H        SER 110   0.879  12.609  -4.319
  824    HA   SER 110           HA       SER 110   1.849   9.898  -4.399
  825    HB2  SER 110           HB2      SER 110   3.509  12.438  -4.179
  826    HB3  SER 110           HB3      SER 110   3.972  10.873  -4.862
  827    HG   SER 110           HG       SER 110   3.423  12.327  -6.506
  828    H    HIS 111           H        HIS 111   1.918  12.513  -1.954
  829    HA   HIS 111           HA       HIS 111   3.360  11.146   0.092
  830    HB2  HIS 111           HB2      HIS 111   3.052  13.271   0.801
  831    HB3  HIS 111           HB3      HIS 111   1.595  13.477  -0.160
  832    HD1  HIS 111           HD1      HIS 111  -0.679  13.339   1.033
  833    HD2  HIS 111           HD2      HIS 111   2.637  12.241   3.375
  834    HE1  HIS 111           HE1      HIS 111  -1.513  13.216   3.455
  835    H    ILE 112           H        ILE 112  -0.171  11.196  -0.656
  836    HA   ILE 112           HA       ILE 112  -0.925   9.452   1.428
  837    HB   ILE 112           HB       ILE 112  -2.120  10.021  -1.307
  838   HG12  ILE 112          HG12      ILE 112  -2.161  11.879   0.364
  839   HG13  ILE 112          HG13      ILE 112  -3.734  11.366  -0.205
  840   HG21  ILE 112          HG21      ILE 112  -3.247   8.265   0.863
  841   HG22  ILE 112          HG22      ILE 112  -4.208   8.975  -0.467
  842   HG23  ILE 112          HG23      ILE 112  -2.896   7.848  -0.832
  843   HD11  ILE 112          HD13      ILE 112  -3.693  11.881   2.190
  844   HD12  ILE 112          HD11      ILE 112  -4.135  10.186   1.911
  845   HD13  ILE 112          HD12      ILE 112  -2.494  10.600   2.471
  846    H    GLY 113           H        GLY 113   0.019   8.625  -1.981
  847    HA2  GLY 113           HA2      GLY 113  -0.234   5.841  -1.755
  848    HA3  GLY 113           HA3      GLY 113   0.907   6.685  -2.821
  849    H    ALA 114           H        ALA 114   2.549   7.929  -0.872
  850    HA   ALA 114           HA       ALA 114   4.343   5.772  -0.241
  851    HB1  ALA 114           HB3      ALA 114   4.314   8.684   0.613
  852    HB2  ALA 114           HB1      ALA 114   5.709   7.569   0.712
  853    HB3  ALA 114           HB2      ALA 114   5.063   8.082  -0.857
  854    H    ILE 115           H        ILE 115   2.241   7.903   1.810
  855    HA   ILE 115           HA       ILE 115   2.899   6.920   4.297
  856    HB   ILE 115           HB       ILE 115   0.568   8.170   3.038
  857   HG12  ILE 115          HG12      ILE 115   2.448   9.620   3.790
  858   HG13  ILE 115          HG13      ILE 115   0.907  10.022   4.521
  859   HG21  ILE 115          HG21      ILE 115  -0.663   6.773   4.383
  860   HG22  ILE 115          HG22      ILE 115   0.443   6.962   5.767
  861   HG23  ILE 115          HG23      ILE 115  -0.624   8.309   5.250
  862   HD11  ILE 115          HD13      ILE 115   1.528   9.017   6.611
  863   HD12  ILE 115          HD11      ILE 115   3.048   8.425   5.895
  864   HD13  ILE 115          HD12      ILE 115   2.774  10.166   6.088
  865    H    GLN 116           H        GLN 116   0.446   5.841   1.865
  866    HA   GLN 116           HA       GLN 116  -0.629   3.699   3.404
  867    HB2  GLN 116           HB2      GLN 116  -0.710   4.422   0.459
  868    HB3  GLN 116           HB3      GLN 116  -1.573   3.027   1.108
  869    HG2  GLN 116           HG2      GLN 116  -1.946   5.853   2.170
  870    HG3  GLN 116           HG3      GLN 116  -2.922   5.160   0.878
  871   HE21  GLN 116          HE22      GLN 116  -4.194   3.128   1.423
  872   HE22  GLN 116          HE21      GLN 116  -4.751   2.928   3.063
  873    H    ALA 117           H        ALA 117   2.421   3.882   1.928
  874    HA   ALA 117           HA       ALA 117   2.666   0.966   1.748
  875    HB1  ALA 117           HB3      ALA 117   4.793   1.381   0.599
  876    HB2  ALA 117           HB1      ALA 117   3.505   2.277  -0.225
  877    HB3  ALA 117           HB2      ALA 117   4.629   3.124   0.858
  878    H    LEU 118           H        LEU 118   3.940   3.844   3.461
  879    HA   LEU 118           HA       LEU 118   5.766   2.137   4.898
  880    HB2  LEU 118           HB2      LEU 118   6.459   4.092   6.034
  881    HB3  LEU 118           HB3      LEU 118   6.242   4.378   4.292
  882    HG   LEU 118           HG       LEU 118   4.039   5.355   4.780
  883   HD11  LEU 118          HD11      LEU 118   3.584   6.397   6.847
  884   HD12  LEU 118          HD12      LEU 118   3.878   4.743   7.289
  885   HD13  LEU 118          HD13      LEU 118   5.162   5.917   7.534
  886   HD21  LEU 118          HD23      LEU 118   5.130   7.565   5.354
  887   HD22  LEU 118          HD21      LEU 118   6.637   6.690   5.635
  888   HD23  LEU 118          HD22      LEU 118   5.893   6.687   4.019
  889    H    SER 119           H        SER 119   2.546   3.360   5.459
  890    HA   SER 119           HA       SER 119   2.297   2.614   8.164
  891    HB2  SER 119           HB2      SER 119  -0.180   2.229   7.599
  892    HB3  SER 119           HB3      SER 119   0.509   3.836   7.328
  893    HG   SER 119           HG       SER 119   0.594   3.500   5.195
  894    H    GLU 120           H        GLU 120   2.710   0.448   5.434
  895    HA   GLU 120           HA       GLU 120   1.631  -1.900   6.678
  896    HB2  GLU 120           HB2      GLU 120   3.812  -1.633   4.581
  897    HB3  GLU 120           HB3      GLU 120   3.014  -3.132   5.031
  898    HG2  GLU 120           HG2      GLU 120   1.517  -0.721   3.941
  899    HG3  GLU 120           HG3      GLU 120   2.152  -2.008   2.922
  900    H    LEU 121           H        LEU 121   4.451   0.031   7.066
  901    HA   LEU 121           HA       LEU 121   5.815  -1.981   8.777
  902    HB2  LEU 121           HB2      LEU 121   6.823   0.714   7.772
  903    HB3  LEU 121           HB3      LEU 121   7.754  -0.506   8.636
  904    HG   LEU 121           HG       LEU 121   6.695  -0.552   5.789
  905   HD11  LEU 121          HD11      LEU 121   9.487  -0.794   6.994
  906   HD12  LEU 121          HD12      LEU 121   9.105  -0.871   5.266
  907   HD13  LEU 121          HD13      LEU 121   8.801   0.623   6.170
  908   HD21  LEU 121          HD23      LEU 121   6.337  -2.866   6.678
  909   HD22  LEU 121          HD21      LEU 121   7.605  -2.804   5.456
  910   HD23  LEU 121          HD22      LEU 121   8.042  -2.927   7.162
  911    H    LEU 122           H        LEU 122   5.164   1.583   8.941
  912    HA   LEU 122           HA       LEU 122   5.615   1.883  11.686
  913    HB2  LEU 122           HB2      LEU 122   3.833   3.396   9.710
  914    HB3  LEU 122           HB3      LEU 122   3.927   3.869  11.381
  915    HG   LEU 122           HG       LEU 122   5.305   5.291  10.040
  916   HD11  LEU 122          HD11      LEU 122   7.359   5.238  11.295
  917   HD12  LEU 122          HD12      LEU 122   6.032   4.747  12.359
  918   HD13  LEU 122          HD13      LEU 122   7.144   3.526  11.699
  919   HD21  LEU 122          HD23      LEU 122   7.298   4.542   8.884
  920   HD22  LEU 122          HD21      LEU 122   6.956   2.849   9.304
  921   HD23  LEU 122          HD22      LEU 122   5.880   3.748   8.226
  922    H    CYS 123           H        CYS 123   2.623   0.677  10.206
  923    HA   CYS 123           HA       CYS 123   1.313   0.954  12.865
  924    HB2  CYS 123           HB2      CYS 123   0.002   0.560  10.146
  925    HB3  CYS 123           HB3      CYS 123  -0.816   0.829  11.685
  926    HG   CYS 123           HG       CYS 123   1.398   2.837  10.261
  927    H    GLU 124           H        GLU 124   3.272  -1.078  12.143
  928    HA   GLU 124           HA       GLU 124   1.641  -3.447  12.833
  929    HB2  GLU 124           HB2      GLU 124   3.713  -3.259  10.633
  930    HB3  GLU 124           HB3      GLU 124   3.388  -4.784  11.461
  931    HG2  GLU 124           HG2      GLU 124   1.164  -3.179  10.177
  932    HG3  GLU 124           HG3      GLU 124   2.144  -4.327   9.269
  933    H    GLU 125           H        GLU 125   2.123  -3.399  14.908
  934    HA   GLU 125           HA       GLU 125   4.531  -2.578  16.063
  935    HB2  GLU 125           HB2      GLU 125   3.756  -3.607  18.113
  936    HB3  GLU 125           HB3      GLU 125   2.438  -2.779  17.288
  937    HG2  GLU 125           HG2      GLU 125   1.647  -4.997  16.398
  938    HG3  GLU 125           HG3      GLU 125   2.926  -5.793  17.316
  939    H    GLU 126           H        GLU 126   3.767  -5.687  14.632
  940    HA   GLU 126           HA       GLU 126   5.927  -7.166  15.752
  941    HB2  GLU 126           HB2      GLU 126   4.566  -7.551  13.049
  942    HB3  GLU 126           HB3      GLU 126   5.568  -8.735  13.903
  943    HG2  GLU 126           HG2      GLU 126   3.899  -8.624  15.817
  944    HG3  GLU 126           HG3      GLU 126   2.875  -7.626  14.777
  945    H    ILE 127           H        ILE 127   5.593  -5.165  12.831
  946    HA   ILE 127           HA       ILE 127   8.289  -5.583  11.865
  947    HB   ILE 127           HB       ILE 127   6.076  -3.684  11.194
  948   HG12  ILE 127          HG12      ILE 127   6.170  -4.693   9.019
  949   HG13  ILE 127          HG13      ILE 127   7.674  -5.540   9.395
  950   HG21  ILE 127          HG21      ILE 127   8.964  -3.473  10.382
  951   HG22  ILE 127          HG22      ILE 127   7.673  -2.865   9.343
  952   HG23  ILE 127          HG23      ILE 127   7.863  -2.201  10.964
  953   HD11  ILE 127          HD13      ILE 127   4.986  -6.185  10.654
  954   HD12  ILE 127          HD11      ILE 127   5.699  -7.025   9.267
  955   HD13  ILE 127          HD12      ILE 127   6.505  -7.100  10.839
  956    H    LEU 128           H        LEU 128   6.618  -3.092  13.862
  957    HA   LEU 128           HA       LEU 128   8.763  -1.322  14.067
  958    HB2  LEU 128           HB2      LEU 128   6.751  -1.993  16.264
  959    HB3  LEU 128           HB3      LEU 128   7.839  -0.619  16.275
  960    HG   LEU 128           HG       LEU 128   5.548  -1.060  14.329
  961   HD11  LEU 128          HD11      LEU 128   4.858  -0.362  16.573
  962   HD12  LEU 128          HD12      LEU 128   5.983   1.000  16.523
  963   HD13  LEU 128          HD13      LEU 128   4.609   0.936  15.403
  964   HD21  LEU 128          HD23      LEU 128   7.150   0.005  12.990
  965   HD22  LEU 128          HD21      LEU 128   6.169   1.327  13.635
  966   HD23  LEU 128          HD22      LEU 128   7.770   0.995  14.324
  967    H    GLU 129           H        GLU 129   8.196  -4.217  16.073
  968    HA   GLU 129           HA       GLU 129  10.468  -3.763  17.736
  969    HB2  GLU 129           HB2      GLU 129   8.649  -6.104  17.188
  970    HB3  GLU 129           HB3      GLU 129  10.210  -6.408  17.965
  971    HG2  GLU 129           HG2      GLU 129   9.736  -4.753  19.705
  972    HG3  GLU 129           HG3      GLU 129   8.160  -4.404  18.979
  973    H    GLN 130           H        GLN 130  10.046  -5.441  14.581
  974    HA   GLN 130           HA       GLN 130  12.612  -6.727  14.732
  975    HB2  GLN 130           HB2      GLN 130  10.516  -6.309  12.580
  976    HB3  GLN 130           HB3      GLN 130  12.054  -7.136  12.246
  977    HG2  GLN 130           HG2      GLN 130  11.639  -8.833  13.866
  978    HG3  GLN 130           HG3      GLN 130  10.186  -8.020  14.456
  979   HE21  GLN 130          HE22      GLN 130   8.273  -8.127  13.254
  980   HE22  GLN 130          HE21      GLN 130   8.041  -9.275  11.940
  981    H    LEU 131           H        LEU 131  11.436  -3.613  13.520
  982    HA   LEU 131           HA       LEU 131  13.984  -2.800  12.324
  983    HB2  LEU 131           HB2      LEU 131  11.580  -1.269  13.394
  984    HB3  LEU 131           HB3      LEU 131  12.952  -0.496  12.602
  985    HG   LEU 131           HG       LEU 131  11.304  -2.652  11.220
  986   HD11  LEU 131          HD11      LEU 131   9.892  -0.938  10.282
  987   HD12  LEU 131          HD12      LEU 131   9.848  -0.842  12.065
  988   HD13  LEU 131          HD13      LEU 131  10.802   0.332  11.122
  989   HD21  LEU 131          HD23      LEU 131  13.526  -1.985  10.234
  990   HD22  LEU 131          HD21      LEU 131  12.164  -1.567   9.174
  991   HD23  LEU 131          HD22      LEU 131  12.944  -0.311  10.154
  992    H    LEU 132           H        LEU 132  12.184  -2.006  15.315
  993    HA   LEU 132           HA       LEU 132  14.143  -0.415  16.517
  994    HB2  LEU 132           HB2      LEU 132  11.969  -2.113  17.746
  995    HB3  LEU 132           HB3      LEU 132  13.029  -1.155  18.753
  996    HG   LEU 132           HG       LEU 132  11.423   0.120  16.504
  997   HD11  LEU 132          HD11      LEU 132   9.872  -0.949  18.109
  998   HD12  LEU 132          HD12      LEU 132  10.694  -0.138  19.458
  999   HD13  LEU 132          HD13      LEU 132   9.814   0.814  18.241
 1000   HD21  LEU 132          HD23      LEU 132  11.809   2.184  17.792
 1001   HD22  LEU 132          HD21      LEU 132  12.750   1.273  18.992
 1002   HD23  LEU 132          HD22      LEU 132  13.345   1.447  17.326
 1003    H    THR 133           H        THR 133  14.238  -3.890  16.293
 1004    HA   THR 133           HA       THR 133  16.568  -3.942  18.126
 1005    HB   THR 133           HB       THR 133  16.061  -6.322  18.414
 1006    HG1  THR 133           HG1      THR 133  13.670  -5.799  16.983
 1007   HG21  THR 133          HG23      THR 133  15.041  -4.665  19.974
 1008   HG22  THR 133          HG21      THR 133  13.570  -4.636  18.975
 1009   HG23  THR 133          HG22      THR 133  14.067  -6.132  19.784
 1010    H    ALA 134           H        ALA 134  16.239  -3.375  14.994
 1011    HA   ALA 134           HA       ALA 134  17.560  -5.466  13.642
 1012    HB1  ALA 134           HB3      ALA 134  17.521  -2.506  12.967
 1013    HB2  ALA 134           HB1      ALA 134  17.960  -3.816  11.873
 1014    HB3  ALA 134           HB2      ALA 134  16.294  -3.694  12.484
 1015    H    SER 135           H        SER 135  19.493  -6.261  14.252
 1016    HA   SER 135           HA       SER 135  21.517  -4.720  15.535
 1017    HB2  SER 135           HB2      SER 135  21.788  -7.416  14.142
 1018    HB3  SER 135           HB3      SER 135  22.787  -6.779  15.459
 1019    HG   SER 135           HG       SER 135  21.214  -8.264  16.206
 1020    H    SER 136           H        SER 136  20.650  -4.742  12.191
 1021    HA   SER 136           HA       SER 136  23.190  -3.618  11.373
 1022    HB2  SER 136           HB2      SER 136  23.405  -5.436   9.532
 1023    HB3  SER 136           HB3      SER 136  23.987  -5.810  11.154
 1024    HG   SER 136           HG       SER 136  21.993  -6.884  11.547
 1025    H    GLU 137           H        GLU 137  23.031  -2.672   9.307
 1026    HA   GLU 137           HA       GLU 137  20.556  -1.461   8.724
 1027    HB2  GLU 137           HB2      GLU 137  23.149  -1.763   7.154
 1028    HB3  GLU 137           HB3      GLU 137  21.845  -0.668   6.668
 1029    HG2  GLU 137           HG2      GLU 137  21.977   0.571   8.689
 1030    HG3  GLU 137           HG3      GLU 137  23.181  -0.520   9.388
 1031    H    LYS 138           H        LYS 138  22.063  -4.346   7.334
 1032    HA   LYS 138           HA       LYS 138  20.389  -4.832   5.151
 1033    HB2  LYS 138           HB2      LYS 138  21.177  -7.045   5.215
 1034    HB3  LYS 138           HB3      LYS 138  22.480  -5.978   5.721
 1035    HG2  LYS 138           HG2      LYS 138  22.765  -7.525   7.354
 1036    HG3  LYS 138           HG3      LYS 138  21.500  -6.596   8.166
 1037    HD2  LYS 138           HD2      LYS 138  19.842  -8.182   6.924
 1038    HD3  LYS 138           HD3      LYS 138  21.246  -9.182   6.590
 1039    HE2  LYS 138           HE2      LYS 138  20.064  -8.467   9.307
 1040    HE3  LYS 138           HE3      LYS 138  20.146 -10.061   8.554
 1041    HZ1  LYS 138           HZ3      LYS 138  22.377  -8.475   9.666
 1042    HZ2  LYS 138           HZ1      LYS 138  21.829  -9.912  10.196
 1043    HZ3  LYS 138           HZ2      LYS 138  22.623  -9.848   8.773
 1044    H    GLN 139           H        GLN 139  19.578  -5.383   8.580
 1045    HA   GLN 139           HA       GLN 139  17.330  -7.041   7.965
 1046    HB2  GLN 139           HB2      GLN 139  18.375  -7.442  10.007
 1047    HB3  GLN 139           HB3      GLN 139  18.618  -5.741  10.344
 1048    HG2  GLN 139           HG2      GLN 139  17.128  -6.456  11.871
 1049    HG3  GLN 139           HG3      GLN 139  16.225  -5.451  10.751
 1050   HE21  GLN 139          HE22      GLN 139  14.699  -6.894  12.383
 1051   HE22  GLN 139          HE21      GLN 139  14.114  -8.397  11.679
 1052    H    LEU 140           H        LEU 140  17.804  -3.449   8.446
 1053    HA   LEU 140           HA       LEU 140  14.991  -2.862   8.462
 1054    HB2  LEU 140           HB2      LEU 140  17.391  -1.212   7.537
 1055    HB3  LEU 140           HB3      LEU 140  15.759  -0.616   7.697
 1056    HG   LEU 140           HG       LEU 140  16.253  -1.819  10.190
 1057   HD11  LEU 140          HD11      LEU 140  18.308  -0.921  11.031
 1058   HD12  LEU 140          HD12      LEU 140  18.618  -2.027   9.695
 1059   HD13  LEU 140          HD13      LEU 140  18.724  -0.264   9.433
 1060   HD21  LEU 140          HD23      LEU 140  16.233   0.417  11.112
 1061   HD22  LEU 140          HD21      LEU 140  16.665   1.135   9.543
 1062   HD23  LEU 140          HD22      LEU 140  15.081   0.373   9.791
 1063    H    ALA 141           H        ALA 141  17.435  -2.994   5.841
 1064    HA   ALA 141           HA       ALA 141  15.691  -2.631   3.689
 1065    HB1  ALA 141           HB3      ALA 141  18.153  -2.553   3.512
 1066    HB2  ALA 141           HB1      ALA 141  18.220  -4.321   3.724
 1067    HB3  ALA 141           HB2      ALA 141  17.430  -3.623   2.296
 1068    H    ASP 142           H        ASP 142  16.312  -5.673   5.480
 1069    HA   ASP 142           HA       ASP 142  14.912  -7.339   3.637
 1070    HB2  ASP 142           HB2      ASP 142  16.364  -8.312   5.338
 1071    HB3  ASP 142           HB3      ASP 142  15.340  -7.675   6.628
 1072    H    ILE 143           H        ILE 143  13.832  -5.539   6.576
 1073    HA   ILE 143           HA       ILE 143  11.129  -6.372   6.498
 1074    HB   ILE 143           HB       ILE 143  12.678  -4.053   7.695
 1075   HG12  ILE 143          HG12      ILE 143  11.302  -6.467   8.971
 1076   HG13  ILE 143          HG13      ILE 143  13.014  -6.390   8.570
 1077   HG21  ILE 143          HG21      ILE 143  10.455  -3.185   7.316
 1078   HG22  ILE 143          HG22      ILE 143   9.729  -4.621   8.089
 1079   HG23  ILE 143          HG23      ILE 143  10.717  -3.468   9.026
 1080   HD11  ILE 143          HD13      ILE 143  13.110  -4.282  10.075
 1081   HD12  ILE 143          HD11      ILE 143  11.550  -4.871  10.729
 1082   HD13  ILE 143          HD12      ILE 143  13.003  -5.868  10.816
 1083    H    ILE 144           H        ILE 144  12.848  -3.665   4.942
 1084    HA   ILE 144           HA       ILE 144  10.643  -2.459   3.606
 1085    HB   ILE 144           HB       ILE 144  13.578  -2.792   3.000
 1086   HG12  ILE 144          HG12      ILE 144  12.950  -1.219   4.778
 1087   HG13  ILE 144          HG13      ILE 144  13.845  -0.504   3.439
 1088   HG21  ILE 144          HG21      ILE 144  13.510  -1.322   1.129
 1089   HG22  ILE 144          HG22      ILE 144  12.632  -2.770   0.764
 1090   HG23  ILE 144          HG23      ILE 144  11.735  -1.286   1.136
 1091   HD11  ILE 144          HD13      ILE 144  11.853   0.539   2.562
 1092   HD12  ILE 144          HD11      ILE 144  10.840  -0.271   3.789
 1093   HD13  ILE 144          HD12      ILE 144  12.043   0.936   4.271
 1094    H    SER 145           H        SER 145  12.835  -5.062   2.503
 1095    HA   SER 145           HA       SER 145  11.594  -5.336  -0.007
 1096    HB2  SER 145           HB2      SER 145  13.215  -7.411   1.544
 1097    HB3  SER 145           HB3      SER 145  12.909  -7.415  -0.201
 1098    HG   SER 145           HG       SER 145  14.413  -5.545   1.332
 1099    H    ARG 146           H        ARG 146  10.791  -6.825   3.106
 1100    HA   ARG 146           HA       ARG 146   9.040  -8.836   2.342
 1101    HB2  ARG 146           HB2      ARG 146  10.005  -7.669   4.673
 1102    HB3  ARG 146           HB3      ARG 146   8.330  -7.128   4.709
 1103    HG2  ARG 146           HG2      ARG 146   7.587  -9.471   4.486
 1104    HG3  ARG 146           HG3      ARG 146   9.288  -9.995   4.376
 1105    HD2  ARG 146           HD2      ARG 146   8.153  -8.448   6.744
 1106    HD3  ARG 146           HD3      ARG 146   8.190 -10.224   6.672
 1107    HE   ARG 146           HE       ARG 146  10.807  -9.249   6.127
 1108   HH11  ARG 146          HH21      ARG 146   8.540  -9.550   8.848
 1109   HH12  ARG 146          HH22      ARG 146   9.803  -9.657  10.042
 1110   HH21  ARG 146          HH11      ARG 146  12.441  -9.412   7.695
 1111   HH22  ARG 146          HH12      ARG 146  12.036  -9.566   9.385
 1112    H    GLY 147           H        GLY 147   8.573  -5.357   2.134
 1113    HA2  GLY 147           HA2      GLY 147   5.621  -5.569   2.127
 1114    HA3  GLY 147           HA3      GLY 147   6.600  -4.099   2.198
  Start of MODEL   17
    1    H    MET   1           H1       MET   1   1.950  -1.031  -0.726
    2    HA   MET   1           HA       MET   1   2.459  -1.434  -3.607
    3    HB2  MET   1           HB2      MET   1   2.107   1.073  -2.778
    4    HB3  MET   1           HB3      MET   1   3.685   0.828  -1.989
    5    HG2  MET   1           HG2      MET   1   3.802   1.926  -4.226
    6    HG3  MET   1           HG3      MET   1   4.794   0.498  -4.047
    7    HE1  MET   1           HE3      MET   1   1.814   2.213  -5.853
    8    HE2  MET   1           HE1      MET   1   1.018   0.878  -6.712
    9    HE3  MET   1           HE2      MET   1   0.898   0.986  -4.945
   10    H    ARG   2           H        ARG   2   4.624  -1.896  -4.149
   11    HA   ARG   2           HA       ARG   2   6.093  -3.292  -2.165
   12    HB2  ARG   2           HB2      ARG   2   7.958  -3.400  -3.663
   13    HB3  ARG   2           HB3      ARG   2   6.415  -3.953  -4.366
   14    HG2  ARG   2           HG2      ARG   2   6.439  -1.273  -4.951
   15    HG3  ARG   2           HG3      ARG   2   8.161  -1.660  -5.049
   16    HD2  ARG   2           HD2      ARG   2   5.913  -3.185  -6.395
   17    HD3  ARG   2           HD3      ARG   2   6.791  -1.887  -7.219
   18    HE   ARG   2           HE       ARG   2   7.690  -4.626  -6.691
   19   HH11  ARG   2          HH11      ARG   2   8.776  -1.361  -7.583
   20   HH12  ARG   2          HH12      ARG   2  10.279  -1.888  -8.240
   21   HH21  ARG   2          HH21      ARG   2   9.690  -5.325  -7.569
   22   HH22  ARG   2          HH22      ARG   2  10.802  -4.195  -8.239
   23    H    LEU   3           H        LEU   3   7.019  -2.525  -0.547
   24    HA   LEU   3           HA       LEU   3   7.187   0.258   0.095
   25    HB2  LEU   3           HB2      LEU   3   8.320  -2.266   1.281
   26    HB3  LEU   3           HB3      LEU   3   9.051  -0.750   1.775
   27    HG   LEU   3           HG       LEU   3   7.280  -1.618   3.293
   28   HD11  LEU   3          HD11      LEU   3   6.321   0.557   3.738
   29   HD12  LEU   3          HD12      LEU   3   8.016   0.742   3.295
   30   HD13  LEU   3          HD13      LEU   3   6.743   1.149   2.121
   31   HD21  LEU   3          HD23      LEU   3   4.940  -1.354   2.788
   32   HD22  LEU   3          HD21      LEU   3   5.290  -0.713   1.177
   33   HD23  LEU   3          HD22      LEU   3   5.651  -2.399   1.552
   34    H    SER   4           H        SER   4   9.680  -2.040  -1.065
   35    HA   SER   4           HA       SER   4  11.905  -0.517  -0.937
   36    HB2  SER   4           HB2      SER   4  11.412  -2.235  -3.370
   37    HB3  SER   4           HB3      SER   4  12.850  -2.141  -2.336
   38    HG   SER   4           HG       SER   4  11.574  -4.071  -2.092
   39    H    ASP   5           H        ASP   5   9.236   0.009  -3.240
   40    HA   ASP   5           HA       ASP   5  10.700   1.372  -5.270
   41    HB2  ASP   5           HB2      ASP   5   8.377   0.605  -5.556
   42    HB3  ASP   5           HB3      ASP   5   7.833   1.769  -4.341
   43    H    TYR   6           H        TYR   6   9.644   2.348  -2.059
   44    HA   TYR   6           HA       TYR   6  10.039   5.202  -2.620
   45    HB2  TYR   6           HB2      TYR   6   9.057   3.723  -0.149
   46    HB3  TYR   6           HB3      TYR   6   9.199   5.468  -0.287
   47    HD1  TYR   6           HD2      TYR   6   7.804   6.800  -1.763
   48    HD2  TYR   6           HD1      TYR   6   7.096   2.552  -1.250
   49    HE1  TYR   6           HE2      TYR   6   5.601   7.019  -2.877
   50    HE2  TYR   6           HE1      TYR   6   4.888   2.807  -2.267
   51    HH   TYR   6           HH       TYR   6   3.351   4.257  -3.279
   52    H    PHE   7           H        PHE   7  12.163   2.656  -1.581
   53    HA   PHE   7           HA       PHE   7  13.781   4.601   0.038
   54    HB2  PHE   7           HB2      PHE   7  13.638   1.591   0.291
   55    HB3  PHE   7           HB3      PHE   7  14.748   2.635   1.163
   56    HD1  PHE   7           HD2      PHE   7  11.144   1.953   0.607
   57    HD2  PHE   7           HD1      PHE   7  14.064   3.519   3.363
   58    HE1  PHE   7           HE2      PHE   7   9.344   2.429   2.227
   59    HE2  PHE   7           HE1      PHE   7  12.235   4.084   4.934
   60    HZ   PHE   7           HZ       PHE   7   9.888   3.535   4.387
   61    HA   PRO   8           HA       PRO   8  15.658   3.912  -4.047
   62    HB2  PRO   8           HB2      PRO   8  17.354   6.149  -4.086
   63    HB3  PRO   8           HB3      PRO   8  15.664   6.065  -4.664
   64    HG2  PRO   8           HG2      PRO   8  16.686   7.002  -1.978
   65    HG3  PRO   8           HG3      PRO   8  15.424   7.746  -2.995
   66    HD2  PRO   8           HD2      PRO   8  14.722   6.213  -0.918
   67    HD3  PRO   8           HD3      PRO   8  13.852   6.057  -2.470
   68    H    GLU   9           H        GLU   9  17.898   4.881  -1.402
   69    HA   GLU   9           HA       GLU   9  19.666   2.667  -2.038
   70    HB2  GLU   9           HB2      GLU   9  20.110   4.252  -3.959
   71    HB3  GLU   9           HB3      GLU   9  20.453   5.527  -2.806
   72    HG2  GLU   9           HG2      GLU   9  22.471   4.204  -2.035
   73    HG3  GLU   9           HG3      GLU   9  22.083   2.989  -3.252
   74    H    SER  10           H        SER  10  20.949   5.744  -0.892
   75    HA   SER  10           HA       SER  10  21.979   4.626   1.489
   76    HB2  SER  10           HB2      SER  10  21.428   7.569   0.988
   77    HB3  SER  10           HB3      SER  10  22.776   6.848   1.880
   78    HG   SER  10           HG       SER  10  23.627   6.123  -0.070
   79    H    SER  11           H        SER  11  18.988   4.446   1.053
   80    HA   SER  11           HA       SER  11  17.610   6.364   2.731
   81    HB2  SER  11           HB2      SER  11  16.664   3.849   1.311
   82    HB3  SER  11           HB3      SER  11  15.665   5.235   1.796
   83    HG   SER  11           HG       SER  11  16.764   6.500   0.301
   84    H    ILE  12           H        ILE  12  19.521   3.944   3.797
   85    HA   ILE  12           HA       ILE  12  17.738   3.066   5.951
   86    HB   ILE  12           HB       ILE  12  19.826   1.427   4.441
   87   HG12  ILE  12          HG12      ILE  12  18.225   1.900   2.675
   88   HG13  ILE  12          HG13      ILE  12  18.362   0.222   3.096
   89   HG21  ILE  12          HG21      ILE  12  17.473   0.678   6.204
   90   HG22  ILE  12          HG22      ILE  12  18.669  -0.459   5.524
   91   HG23  ILE  12          HG23      ILE  12  19.173   0.743   6.710
   92   HD11  ILE  12          HD13      ILE  12  16.041   1.979   3.969
   93   HD12  ILE  12          HD11      ILE  12  16.068   0.897   2.567
   94   HD13  ILE  12          HD12      ILE  12  16.201   0.227   4.206
   95    H    SER  13           H        SER  13  18.901   3.560   7.906
   96    HA   SER  13           HA       SER  13  21.789   3.036   7.951
   97    HB2  SER  13           HB2      SER  13  20.619   5.805   8.521
   98    HB3  SER  13           HB3      SER  13  22.251   5.298   8.986
   99    HG   SER  13           HG       SER  13  21.631   4.812   6.358
  100    H    VAL  14           H        VAL  14  22.373   2.230   9.880
  101    HA   VAL  14           HA       VAL  14  20.641   2.657  12.237
  102    HB   VAL  14           HB       VAL  14  20.869   0.383  11.497
  103   HG11  VAL  14          HG11      VAL  14  22.937   0.256  10.343
  104   HG12  VAL  14          HG12      VAL  14  23.867   0.634  11.820
  105   HG13  VAL  14          HG13      VAL  14  22.982  -0.893  11.679
  106   HG21  VAL  14          HG23      VAL  14  22.458   0.796  14.069
  107   HG22  VAL  14          HG21      VAL  14  20.691   0.911  13.938
  108   HG23  VAL  14          HG22      VAL  14  21.498  -0.633  13.625
  109    H    ILE  15           H        ILE  15  21.592   3.677  13.990
  110    HA   ILE  15           HA       ILE  15  24.324   4.833  13.613
  111    HB   ILE  15           HB       ILE  15  21.617   6.113  14.176
  112   HG12  ILE  15          HG12      ILE  15  23.574   6.415  11.877
  113   HG13  ILE  15          HG13      ILE  15  21.907   5.815  11.833
  114   HG21  ILE  15          HG21      ILE  15  24.333   7.456  14.376
  115   HG22  ILE  15          HG22      ILE  15  22.748   8.276  14.478
  116   HG23  ILE  15          HG23      ILE  15  23.147   7.112  15.673
  117   HD11  ILE  15          HD13      ILE  15  21.859   8.042  10.971
  118   HD12  ILE  15          HD11      ILE  15  21.162   8.124  12.611
  119   HD13  ILE  15          HD12      ILE  15  22.827   8.669  12.325
  120    H    HIS  16           H        HIS  16  25.477   5.152  15.519
  121    HA   HIS  16           HA       HIS  16  24.742   3.620  17.819
  122    HB2  HIS  16           HB2      HIS  16  26.848   5.793  17.493
  123    HB3  HIS  16           HB3      HIS  16  26.754   4.639  18.826
  124    HD1  HIS  16           HD1      HIS  16  28.592   5.012  15.704
  125    HD2  HIS  16           HD2      HIS  16  26.703   1.865  17.774
  126    HE1  HIS  16           HE1      HIS  16  29.588   2.857  14.793
  127    H    SER  17           H        SER  17  24.375   7.094  17.020
  128    HA   SER  17           HA       SER  17  22.282   7.513  18.846
  129    HB2  SER  17           HB2      SER  17  23.533   9.340  20.184
  130    HB3  SER  17           HB3      SER  17  23.702   7.664  20.707
  131    HG   SER  17           HG       SER  17  25.706   8.780  20.666
  132    H    ALA  18           H        ALA  18  21.369   9.669  18.257
  133    HA   ALA  18           HA       ALA  18  22.678  10.923  15.891
  134    HB1  ALA  18           HB3      ALA  18  19.952  11.428  17.150
  135    HB2  ALA  18           HB1      ALA  18  20.686  12.464  15.921
  136    HB3  ALA  18           HB2      ALA  18  20.326  10.776  15.544
  137    H    LYS  19           H        LYS  19  23.401  13.074  16.006
  138    HA   LYS  19           HA       LYS  19  24.815  13.756  18.346
  139    HB2  LYS  19           HB2      LYS  19  25.436  14.351  16.071
  140    HB3  LYS  19           HB3      LYS  19  24.055  15.398  15.917
  141    HG2  LYS  19           HG2      LYS  19  26.038  15.908  18.149
  142    HG3  LYS  19           HG3      LYS  19  26.483  16.345  16.504
  143    HD2  LYS  19           HD2      LYS  19  23.931  17.334  17.828
  144    HD3  LYS  19           HD3      LYS  19  25.463  18.207  17.889
  145    HE2  LYS  19           HE2      LYS  19  25.522  18.507  15.507
  146    HE3  LYS  19           HE3      LYS  19  24.197  17.368  15.251
  147    HZ1  LYS  19           HZ3      LYS  19  23.454  19.659  15.093
  148    HZ2  LYS  19           HZ1      LYS  19  22.692  18.886  16.321
  149    HZ3  LYS  19           HZ2      LYS  19  23.901  19.965  16.635
  150    H    ASP  20           H        ASP  20  21.648  14.908  17.205
  151    HA   ASP  20           HA       ASP  20  20.666  15.307  19.806
  152    HB2  ASP  20           HB2      ASP  20  20.318  17.584  19.987
  153    HB3  ASP  20           HB3      ASP  20  22.011  17.536  19.482
  154    H    TRP  21           H        TRP  21  18.341  16.764  19.319
  155    HA   TRP  21           HA       TRP  21  17.083  14.941  17.577
  156    HB2  TRP  21           HB2      TRP  21  15.052  15.944  18.143
  157    HB3  TRP  21           HB3      TRP  21  16.017  15.805  19.589
  158    HD1  TRP  21           HD1      TRP  21  16.415  17.941  20.935
  159    HE1  TRP  21           HE1      TRP  21  15.879  20.438  20.688
  160    HE3  TRP  21           HE3      TRP  21  14.510  17.848  16.203
  161    HZ2  TRP  21           HZ2      TRP  21  14.925  22.212  18.568
  162    HZ3  TRP  21           HZ3      TRP  21  13.855  19.932  15.076
  163    HH2  TRP  21           HH2      TRP  21  14.108  22.120  16.206
  164    H    GLN  22           H        GLN  22  18.304  18.248  17.024
  165    HA   GLN  22           HA       GLN  22  17.011  18.798  14.471
  166    HB2  GLN  22           HB2      GLN  22  19.701  19.647  15.570
  167    HB3  GLN  22           HB3      GLN  22  18.930  20.278  14.127
  168    HG2  GLN  22           HG2      GLN  22  17.120  21.256  15.353
  169    HG3  GLN  22           HG3      GLN  22  17.532  20.385  16.829
  170   HE21  GLN  22          HE22      GLN  22  19.715  20.796  17.770
  171   HE22  GLN  22          HE21      GLN  22  20.299  22.465  17.763
  172    H    GLU  23           H        GLU  23  20.163  17.186  15.447
  173    HA   GLU  23           HA       GLU  23  20.849  16.391  12.821
  174    HB2  GLU  23           HB2      GLU  23  22.215  16.287  15.061
  175    HB3  GLU  23           HB3      GLU  23  21.441  14.705  15.256
  176    HG2  GLU  23           HG2      GLU  23  23.383  14.082  14.166
  177    HG3  GLU  23           HG3      GLU  23  22.322  14.262  12.796
  178    H    ALA  24           H        ALA  24  18.767  14.812  15.231
  179    HA   ALA  24           HA       ALA  24  18.528  12.321  13.891
  180    HB1  ALA  24           HB3      ALA  24  16.468  13.641  15.695
  181    HB2  ALA  24           HB1      ALA  24  16.706  11.908  15.401
  182    HB3  ALA  24           HB2      ALA  24  17.954  12.844  16.266
  183    H    ILE  25           H        ILE  25  16.763  15.410  13.412
  184    HA   ILE  25           HA       ILE  25  14.932  14.307  11.440
  185    HB   ILE  25           HB       ILE  25  15.903  17.168  11.691
  186   HG12  ILE  25          HG12      ILE  25  14.395  15.757  13.631
  187   HG13  ILE  25          HG13      ILE  25  14.804  17.461  13.572
  188   HG21  ILE  25          HG21      ILE  25  13.410  16.035  10.358
  189   HG22  ILE  25          HG22      ILE  25  13.869  17.755  10.450
  190   HG23  ILE  25          HG23      ILE  25  14.843  16.637   9.530
  191   HD11  ILE  25          HD13      ILE  25  12.679  17.910  12.366
  192   HD12  ILE  25          HD11      ILE  25  12.315  16.158  12.427
  193   HD13  ILE  25          HD12      ILE  25  12.420  17.103  13.924
  194    H    ASP  26           H        ASP  26  18.126  16.010  11.302
  195    HA   ASP  26           HA       ASP  26  18.332  16.102   8.487
  196    HB2  ASP  26           HB2      ASP  26  19.879  17.316   9.933
  197    HB3  ASP  26           HB3      ASP  26  20.553  15.802  10.540
  198    H    PHE  27           H        PHE  27  19.433  13.529  10.751
  199    HA   PHE  27           HA       PHE  27  20.256  11.725   8.718
  200    HB2  PHE  27           HB2      PHE  27  19.537  11.444  11.646
  201    HB3  PHE  27           HB3      PHE  27  19.788  10.020  10.656
  202    HD1  PHE  27           HD1      PHE  27  21.945  10.207   9.018
  203    HD2  PHE  27           HD2      PHE  27  21.576  12.091  12.915
  204    HE1  PHE  27           HE1      PHE  27  24.404  10.227   9.260
  205    HE2  PHE  27           HE2      PHE  27  24.020  12.042  13.139
  206    HZ   PHE  27           HZ       PHE  27  25.449  11.136  11.326
  207    H    SER  28           H        SER  28  16.972  12.367  10.082
  208    HA   SER  28           HA       SER  28  15.755  10.075   8.852
  209    HB2  SER  28           HB2      SER  28  14.456  12.763   9.558
  210    HB3  SER  28           HB3      SER  28  13.615  11.284   9.163
  211    HG   SER  28           HG       SER  28  15.408  11.676  11.351
  212    H    MET  29           H        MET  29  16.898  13.130   7.482
  213    HA   MET  29           HA       MET  29  15.276  12.587   5.026
  214    HB2  MET  29           HB2      MET  29  16.449  15.188   5.988
  215    HB3  MET  29           HB3      MET  29  15.224  14.921   4.733
  216    HG2  MET  29           HG2      MET  29  14.508  14.227   7.560
  217    HG3  MET  29           HG3      MET  29  14.619  15.907   7.075
  218    HE1  MET  29           HE3      MET  29  12.606  12.791   7.184
  219    HE2  MET  29           HE1      MET  29  11.466  12.892   5.819
  220    HE3  MET  29           HE2      MET  29  13.200  12.562   5.512
  221    H    VAL  30           H        VAL  30  18.638  12.946   6.078
  222    HA   VAL  30           HA       VAL  30  19.648  14.257   3.904
  223    HB   VAL  30           HB       VAL  30  20.920  13.820   5.928
  224   HG11  VAL  30          HG11      VAL  30  21.347  10.971   4.918
  225   HG12  VAL  30          HG12      VAL  30  22.069  11.712   6.359
  226   HG13  VAL  30          HG13      VAL  30  20.326  11.420   6.300
  227   HG21  VAL  30          HG23      VAL  30  23.110  13.521   4.909
  228   HG22  VAL  30          HG21      VAL  30  22.386  12.778   3.465
  229   HG23  VAL  30          HG22      VAL  30  22.078  14.482   3.832
  230    H    SER  31           H        SER  31  18.950  10.709   3.992
  231    HA   SER  31           HA       SER  31  20.291  10.050   1.636
  232    HB2  SER  31           HB2      SER  31  17.569   8.916   2.366
  233    HB3  SER  31           HB3      SER  31  18.972   8.070   1.705
  234    HG   SER  31           HG       SER  31  19.584   7.701   3.677
  235    H    LEU  32           H        LEU  32  17.164  11.642   2.120
  236    HA   LEU  32           HA       LEU  32  16.386  11.472  -0.703
  237    HB2  LEU  32           HB2      LEU  32  15.198  12.822   1.771
  238    HB3  LEU  32           HB3      LEU  32  14.467  12.946   0.194
  239    HG   LEU  32           HG       LEU  32  14.952  10.329   1.688
  240   HD11  LEU  32          HD11      LEU  32  12.566  10.297   2.087
  241   HD12  LEU  32          HD12      LEU  32  13.225  11.805   2.716
  242   HD13  LEU  32          HD13      LEU  32  12.343  11.802   1.175
  243   HD21  LEU  32          HD23      LEU  32  13.395  10.835  -0.891
  244   HD22  LEU  32          HD21      LEU  32  14.943   9.965  -0.773
  245   HD23  LEU  32          HD22      LEU  32  13.526   9.296  -0.018
  246    H    LEU  33           H        LEU  33  17.694  13.881   1.620
  247    HA   LEU  33           HA       LEU  33  17.688  16.095  -0.077
  248    HB2  LEU  33           HB2      LEU  33  18.259  16.075   2.349
  249    HB3  LEU  33           HB3      LEU  33  19.797  15.310   1.956
  250    HG   LEU  33           HG       LEU  33  20.484  17.314   0.663
  251   HD11  LEU  33          HD11      LEU  33  17.858  18.511   1.629
  252   HD12  LEU  33          HD12      LEU  33  19.187  19.397   0.850
  253   HD13  LEU  33          HD13      LEU  33  18.313  18.181  -0.056
  254   HD21  LEU  33          HD23      LEU  33  20.921  18.698   2.590
  255   HD22  LEU  33          HD21      LEU  33  19.610  17.915   3.505
  256   HD23  LEU  33          HD22      LEU  33  21.055  17.003   3.039
  257    H    ASP  34           H        ASP  34  20.042  13.434   0.268
  258    HA   ASP  34           HA       ASP  34  22.073  14.504  -1.338
  259    HB2  ASP  34           HB2      ASP  34  22.428  12.740   0.341
  260    HB3  ASP  34           HB3      ASP  34  21.436  11.612  -0.578
  261    H    LYS  35           H        LYS  35  19.298  12.515  -2.327
  262    HA   LYS  35           HA       LYS  35  20.348  12.632  -5.127
  263    HB2  LYS  35           HB2      LYS  35  17.740  11.378  -4.614
  264    HB3  LYS  35           HB3      LYS  35  18.985  10.931  -5.754
  265    HG2  LYS  35           HG2      LYS  35  18.847  10.314  -2.796
  266    HG3  LYS  35           HG3      LYS  35  18.583   9.179  -4.105
  267    HD2  LYS  35           HD2      LYS  35  20.884   9.116  -4.711
  268    HD3  LYS  35           HD3      LYS  35  21.270  10.539  -3.719
  269    HE2  LYS  35           HE2      LYS  35  20.514   9.318  -1.691
  270    HE3  LYS  35           HE3      LYS  35  20.243   7.867  -2.668
  271    HZ1  LYS  35           HZ3      LYS  35  22.589   7.757  -3.143
  272    HZ2  LYS  35           HZ1      LYS  35  22.860   9.239  -2.397
  273    HZ3  LYS  35           HZ2      LYS  35  22.443   7.910  -1.532
  274    H    ASN  36           H        ASN  36  19.209  14.915  -3.404
  275    HA   ASN  36           HA       ASN  36  17.703  16.442  -3.310
  276    HB2  ASN  36           HB2      ASN  36  17.811  18.091  -4.767
  277    HB3  ASN  36           HB3      ASN  36  19.268  17.181  -5.134
  278   HD21  ASN  36          HD22      ASN  36  18.110  15.152  -6.774
  279   HD22  ASN  36          HD21      ASN  36  17.639  15.923  -8.283
  280    H    TYR  37           H        TYR  37  16.311  14.184  -3.053
  281    HA   TYR  37           HA       TYR  37  13.755  14.360  -4.491
  282    HB2  TYR  37           HB2      TYR  37  14.691  13.061  -1.911
  283    HB3  TYR  37           HB3      TYR  37  12.994  13.134  -2.309
  284    HD1  TYR  37           HD1      TYR  37  16.218  11.448  -3.078
  285    HD2  TYR  37           HD2      TYR  37  12.004  11.724  -3.961
  286    HE1  TYR  37           HE1      TYR  37  16.369   9.437  -4.515
  287    HE2  TYR  37           HE2      TYR  37  12.172   9.729  -5.420
  288    HH   TYR  37           HH       TYR  37  13.571   8.089  -6.294
  289    H    ILE  38           H        ILE  38  15.377  16.167  -2.022
  290    HA   ILE  38           HA       ILE  38  13.059  17.917  -1.628
  291    HB   ILE  38           HB       ILE  38  13.557  17.995   0.814
  292   HG12  ILE  38          HG12      ILE  38  15.321  15.562   0.286
  293   HG13  ILE  38          HG13      ILE  38  15.898  17.180   0.706
  294   HG21  ILE  38          HG21      ILE  38  12.810  15.169  -0.033
  295   HG22  ILE  38          HG22      ILE  38  12.385  15.996   1.473
  296   HG23  ILE  38          HG23      ILE  38  11.710  16.563  -0.035
  297   HD11  ILE  38          HD13      ILE  38  14.790  17.004   2.903
  298   HD12  ILE  38          HD11      ILE  38  14.320  15.326   2.501
  299   HD13  ILE  38          HD12      ILE  38  16.032  15.765   2.588
  300    H    SER  39           H        SER  39  13.864  19.995  -0.556
  301    HA   SER  39           HA       SER  39  16.691  20.633  -1.235
  302    HB2  SER  39           HB2      SER  39  15.913  22.981  -0.998
  303    HB3  SER  39           HB3      SER  39  15.032  22.094  -2.251
  304    HG   SER  39           HG       SER  39  13.634  23.303  -0.924
  305    H    GLU  40           H        GLU  40  17.799  22.058   0.460
  306    HA   GLU  40           HA       GLU  40  17.858  20.752   2.975
  307    HB2  GLU  40           HB2      GLU  40  18.886  23.503   2.166
  308    HB3  GLU  40           HB3      GLU  40  19.303  22.660   3.663
  309    HG2  GLU  40           HG2      GLU  40  20.281  20.789   2.334
  310    HG3  GLU  40           HG3      GLU  40  19.916  21.652   0.846
  311    H    ASN  41           H        ASN  41  15.940  23.540   1.915
  312    HA   ASN  41           HA       ASN  41  15.176  24.535   4.474
  313    HB2  ASN  41           HB2      ASN  41  14.696  25.704   2.324
  314    HB3  ASN  41           HB3      ASN  41  13.548  24.432   1.884
  315   HD21  ASN  41          HD22      ASN  41  11.397  24.489   2.823
  316   HD22  ASN  41          HD21      ASN  41  10.922  25.776   3.903
  317    H    TYR  42           H        TYR  42  14.036  21.715   2.629
  318    HA   TYR  42           HA       TYR  42  11.556  21.327   3.921
  319    HB2  TYR  42           HB2      TYR  42  12.442  20.241   1.814
  320    HB3  TYR  42           HB3      TYR  42  13.470  19.232   2.827
  321    HD1  TYR  42           HD1      TYR  42   9.965  20.052   1.960
  322    HD2  TYR  42           HD2      TYR  42  12.577  17.319   4.026
  323    HE1  TYR  42           HE1      TYR  42   8.118  18.407   2.091
  324    HE2  TYR  42           HE2      TYR  42  10.736  15.678   4.186
  325    HH   TYR  42           HH       TYR  42   7.457  16.381   2.966
  326    H    ILE  43           H        ILE  43  14.848  20.166   4.756
  327    HA   ILE  43           HA       ILE  43  14.123  18.580   7.004
  328    HB   ILE  43           HB       ILE  43  16.688  20.087   6.285
  329   HG12  ILE  43          HG12      ILE  43  17.233  17.386   6.105
  330   HG13  ILE  43          HG13      ILE  43  15.542  17.413   5.602
  331   HG21  ILE  43          HG21      ILE  43  17.850  18.670   7.915
  332   HG22  ILE  43          HG22      ILE  43  16.655  19.703   8.699
  333   HG23  ILE  43          HG23      ILE  43  16.301  17.974   8.442
  334   HD11  ILE  43          HD13      ILE  43  16.100  19.023   3.822
  335   HD12  ILE  43          HD11      ILE  43  17.784  19.076   4.406
  336   HD13  ILE  43          HD12      ILE  43  17.125  17.578   3.727
  337    H    GLN  44           H        GLN  44  15.032  22.086   6.785
  338    HA   GLN  44           HA       GLN  44  14.678  22.446   9.608
  339    HB2  GLN  44           HB2      GLN  44  15.459  24.122   7.336
  340    HB3  GLN  44           HB3      GLN  44  14.354  24.992   8.399
  341    HG2  GLN  44           HG2      GLN  44  16.786  23.457   9.353
  342    HG3  GLN  44           HG3      GLN  44  16.788  25.189   9.017
  343   HE21  GLN  44          HE21      GLN  44  16.726  23.133  11.702
  344   HE22  GLN  44          HE22      GLN  44  15.684  24.047  12.735
  345    H    ALA  45           H        ALA  45  12.432  22.683   6.935
  346    HA   ALA  45           HA       ALA  45  10.295  23.945   8.259
  347    HB1  ALA  45           HB3      ALA  45  10.255  23.256   5.849
  348    HB2  ALA  45           HB1      ALA  45   9.977  21.571   6.366
  349    HB3  ALA  45           HB2      ALA  45   8.782  22.809   6.739
  350    H    ILE  46           H        ILE  46  11.280  20.464   8.459
  351    HA   ILE  46           HA       ILE  46   9.084  19.769  10.207
  352    HB   ILE  46           HB       ILE  46  11.767  18.363   9.889
  353   HG12  ILE  46          HG12      ILE  46   9.205  17.814   8.354
  354   HG13  ILE  46          HG13      ILE  46  10.581  18.661   7.674
  355   HG21  ILE  46          HG21      ILE  46  10.561  16.401  10.744
  356   HG22  ILE  46          HG22      ILE  46  10.337  17.722  11.877
  357   HG23  ILE  46          HG23      ILE  46   9.029  17.301  10.756
  358   HD11  ILE  46          HD13      ILE  46  12.017  16.693   7.990
  359   HD12  ILE  46          HD11      ILE  46  10.635  15.767   8.593
  360   HD13  ILE  46          HD12      ILE  46  10.622  16.366   6.936
  361    H    LYS  47           H        LYS  47  12.556  20.704  10.693
  362    HA   LYS  47           HA       LYS  47  12.501  20.268  13.480
  363    HB2  LYS  47           HB2      LYS  47  14.112  22.213  11.786
  364    HB3  LYS  47           HB3      LYS  47  14.478  21.902  13.484
  365    HG2  LYS  47           HG2      LYS  47  15.099  19.625  13.042
  366    HG3  LYS  47           HG3      LYS  47  14.492  19.698  11.379
  367    HD2  LYS  47           HD2      LYS  47  16.183  21.339  10.772
  368    HD3  LYS  47           HD3      LYS  47  16.768  21.394  12.464
  369    HE2  LYS  47           HE2      LYS  47  17.384  19.048  12.318
  370    HE3  LYS  47           HE3      LYS  47  16.861  18.956  10.645
  371    HZ1  LYS  47           HZ3      LYS  47  19.080  20.693  11.641
  372    HZ2  LYS  47           HZ1      LYS  47  19.274  19.290  10.848
  373    HZ3  LYS  47           HZ2      LYS  47  18.623  20.569  10.079
  374    H    ASP  48           H        ASP  48  11.753  23.247  11.610
  375    HA   ASP  48           HA       ASP  48  11.274  24.966  13.812
  376    HB2  ASP  48           HB2      ASP  48  11.589  25.801  11.547
  377    HB3  ASP  48           HB3      ASP  48  10.157  24.932  10.984
  378    H    SER  49           H        SER  49   9.118  22.715  12.019
  379    HA   SER  49           HA       SER  49   6.738  23.324  13.482
  380    HB2  SER  49           HB2      SER  49   7.560  20.699  12.169
  381    HB3  SER  49           HB3      SER  49   5.926  21.219  12.589
  382    HG   SER  49           HG       SER  49   7.657  22.292  10.617
  383    H    THR  50           H        THR  50   9.497  21.149  14.132
  384    HA   THR  50           HA       THR  50   8.338  19.902  16.428
  385    HB   THR  50           HB       THR  50  11.279  20.171  15.718
  386    HG1  THR  50           HG1      THR  50  10.044  19.281  13.994
  387   HG21  THR  50          HG23      THR  50  10.883  19.267  17.985
  388   HG22  THR  50          HG21      THR  50   9.771  18.050  17.307
  389   HG23  THR  50          HG22      THR  50  11.498  18.023  16.886
  390    H    ILE  51           H        ILE  51  10.432  22.818  16.041
  391    HA   ILE  51           HA       ILE  51  10.549  23.457  18.826
  392    HB   ILE  51           HB       ILE  51  10.736  25.121  16.287
  393   HG12  ILE  51          HG12      ILE  51  12.880  24.341  18.315
  394   HG13  ILE  51          HG13      ILE  51  12.495  23.380  16.897
  395   HG21  ILE  51          HG21      ILE  51  11.657  26.980  17.651
  396   HG22  ILE  51          HG22      ILE  51   9.974  26.670  18.032
  397   HG23  ILE  51          HG23      ILE  51  11.245  26.089  19.133
  398   HD11  ILE  51          HD13      ILE  51  13.603  26.208  16.859
  399   HD12  ILE  51          HD11      ILE  51  14.428  24.713  16.398
  400   HD13  ILE  51          HD12      ILE  51  13.072  25.303  15.419
  401    H    ASN  52           H        ASN  52   8.106  24.194  16.304
  402    HA   ASN  52           HA       ASN  52   6.687  26.154  17.770
  403    HB2  ASN  52           HB2      ASN  52   6.133  24.437  15.358
  404    HB3  ASN  52           HB3      ASN  52   4.736  25.094  16.159
  405   HD21  ASN  52          HD22      ASN  52   7.851  26.074  14.668
  406   HD22  ASN  52          HD21      ASN  52   7.331  27.695  14.268
  407    H    ASN  53           H        ASN  53   6.358  22.628  17.745
  408    HA   ASN  53           HA       ASN  53   4.270  22.760  19.876
  409    HB2  ASN  53           HB2      ASN  53   2.801  22.783  18.096
  410    HB3  ASN  53           HB3      ASN  53   3.934  22.033  16.989
  411   HD21  ASN  53          HD22      ASN  53   3.628  19.937  16.456
  412   HD22  ASN  53          HD21      ASN  53   2.602  18.820  17.327
  413    H    GLY  54           H        GLY  54   6.127  20.537  17.685
  414    HA2  GLY  54           HA2      GLY  54   7.543  18.988  19.382
  415    HA3  GLY  54           HA3      GLY  54   5.894  18.367  19.613
  416    HA   PRO  55           HA       PRO  55   7.911  16.529  15.747
  417    HB2  PRO  55           HB2      PRO  55   7.583  13.864  16.363
  418    HB3  PRO  55           HB3      PRO  55   9.009  14.834  16.839
  419    HG2  PRO  55           HG2      PRO  55   6.569  14.161  18.496
  420    HG3  PRO  55           HG3      PRO  55   8.285  14.074  18.982
  421    HD2  PRO  55           HD2      PRO  55   6.663  16.193  19.596
  422    HD3  PRO  55           HD3      PRO  55   8.403  16.430  19.263
  423    H    TYR  56           H        TYR  56   6.531  16.523  14.087
  424    HA   TYR  56           HA       TYR  56   3.666  16.557  14.636
  425    HB2  TYR  56           HB2      TYR  56   5.451  17.322  12.369
  426    HB3  TYR  56           HB3      TYR  56   3.860  16.761  11.910
  427    HD1  TYR  56           HD2      TYR  56   5.511  19.157  14.268
  428    HD2  TYR  56           HD1      TYR  56   2.011  18.187  11.955
  429    HE1  TYR  56           HE2      TYR  56   4.530  21.375  14.830
  430    HE2  TYR  56           HE1      TYR  56   1.006  20.383  12.528
  431    HH   TYR  56           HH       TYR  56   2.700  22.809  14.573
  432    H    TYR  57           H        TYR  57   5.840  14.063  13.830
  433    HA   TYR  57           HA       TYR  57   3.690  12.360  12.681
  434    HB2  TYR  57           HB2      TYR  57   6.477  12.836  11.640
  435    HB3  TYR  57           HB3      TYR  57   5.487  11.425  11.255
  436    HD1  TYR  57           HD1      TYR  57   5.770  15.104  10.790
  437    HD2  TYR  57           HD2      TYR  57   3.562  11.523   9.836
  438    HE1  TYR  57           HE1      TYR  57   4.468  16.364   9.105
  439    HE2  TYR  57           HE2      TYR  57   2.218  12.784   8.176
  440    HH   TYR  57           HH       TYR  57   1.764  14.896   7.257
  441    H    ILE  58           H        ILE  58   3.340  11.118  14.442
  442    HA   ILE  58           HA       ILE  58   5.534   9.412  15.465
  443    HB   ILE  58           HB       ILE  58   3.406  10.900  17.064
  444   HG12  ILE  58          HG12      ILE  58   5.347  12.310  16.719
  445   HG13  ILE  58          HG13      ILE  58   5.216  11.829  18.397
  446   HG21  ILE  58          HG21      ILE  58   3.469   8.645  17.937
  447   HG22  ILE  58          HG22      ILE  58   5.239   8.675  18.044
  448   HG23  ILE  58          HG23      ILE  58   4.230   9.730  19.076
  449   HD11  ILE  58          HD13      ILE  58   7.195  10.776  16.348
  450   HD12  ILE  58          HD11      ILE  58   7.543  11.750  17.775
  451   HD13  ILE  58          HD12      ILE  58   7.021  10.069  17.959
  452    H    LEU  59           H        LEU  59   4.832   7.279  15.598
  453    HA   LEU  59           HA       LEU  59   1.953   6.747  14.931
  454    HB2  LEU  59           HB2      LEU  59   4.368   4.983  14.338
  455    HB3  LEU  59           HB3      LEU  59   2.691   4.558  14.094
  456    HG   LEU  59           HG       LEU  59   3.396   5.040  11.993
  457   HD11  LEU  59          HD11      LEU  59   1.285   6.217  12.532
  458   HD12  LEU  59          HD12      LEU  59   2.215   7.719  12.745
  459   HD13  LEU  59          HD13      LEU  59   2.178   6.903  11.173
  460   HD21  LEU  59          HD23      LEU  59   4.753   7.644  12.816
  461   HD22  LEU  59          HD21      LEU  59   5.591   6.092  12.608
  462   HD23  LEU  59          HD22      LEU  59   4.768   6.831  11.249
  463    H    ALA  60           H        ALA  60   4.682   6.025  17.060
  464    HA   ALA  60           HA       ALA  60   2.932   4.865  19.063
  465    HB1  ALA  60           HB3      ALA  60   5.190   3.242  17.756
  466    HB2  ALA  60           HB1      ALA  60   4.299   2.766  19.214
  467    HB3  ALA  60           HB2      ALA  60   3.460   2.867  17.656
  468    HA   PRO  61           HA       PRO  61   6.130   6.773  21.643
  469    HB2  PRO  61           HB2      PRO  61   6.180   4.088  23.051
  470    HB3  PRO  61           HB3      PRO  61   6.204   5.730  23.764
  471    HG2  PRO  61           HG2      PRO  61   3.896   4.318  23.696
  472    HG3  PRO  61           HG3      PRO  61   3.880   6.052  23.234
  473    HD2  PRO  61           HD2      PRO  61   3.923   3.623  21.426
  474    HD3  PRO  61           HD3      PRO  61   2.948   5.119  21.288
  475    H    GLY  62           H        GLY  62   8.219   7.015  20.984
  476    HA2  GLY  62           HA2      GLY  62  10.391   6.411  20.555
  477    HA3  GLY  62           HA3      GLY  62   9.976   4.709  20.640
  478    H    VAL  63           H        VAL  63   7.781   6.037  18.409
  479    HA   VAL  63           HA       VAL  63   9.570   5.465  16.091
  480    HB   VAL  63           HB       VAL  63   6.667   4.608  16.422
  481   HG11  VAL  63          HG11      VAL  63   8.662   3.959  14.201
  482   HG12  VAL  63          HG12      VAL  63   6.987   3.367  14.295
  483   HG13  VAL  63          HG13      VAL  63   7.302   5.078  14.060
  484   HG21  VAL  63          HG23      VAL  63   9.224   2.963  16.589
  485   HG22  VAL  63          HG21      VAL  63   8.024   3.215  17.872
  486   HG23  VAL  63          HG22      VAL  63   7.586   2.285  16.443
  487    H    ALA  64           H        ALA  64   9.798   7.305  14.989
  488    HA   ALA  64           HA       ALA  64   7.482   9.166  14.744
  489    HB1  ALA  64           HB3      ALA  64  10.424   9.863  14.416
  490    HB2  ALA  64           HB1      ALA  64   9.043  10.987  14.361
  491    HB3  ALA  64           HB2      ALA  64   9.463  10.188  15.879
  492    H    MET  65           H        MET  65   7.486  10.352  12.610
  493    HA   MET  65           HA       MET  65   8.674   8.775  10.435
  494    HB2  MET  65           HB2      MET  65   6.616   7.749  10.756
  495    HB3  MET  65           HB3      MET  65   5.734   9.275  10.622
  496    HG2  MET  65           HG2      MET  65   7.308   9.049   8.256
  497    HG3  MET  65           HG3      MET  65   6.711   7.438   8.551
  498    HE1  MET  65           HE3      MET  65   3.650   8.290   9.939
  499    HE2  MET  65           HE1      MET  65   2.853   7.909   8.389
  500    HE3  MET  65           HE2      MET  65   4.215   6.913   8.968
  501    HA   PRO  66           HA       PRO  66   8.750  13.455  10.371
  502    HB2  PRO  66           HB2      PRO  66  11.534  12.923   9.252
  503    HB3  PRO  66           HB3      PRO  66  11.010  14.244  10.339
  504    HG2  PRO  66           HG2      PRO  66  12.264  12.124  11.394
  505    HG3  PRO  66           HG3      PRO  66  10.786  12.739  12.190
  506    HD2  PRO  66           HD2      PRO  66  11.035  10.406  10.263
  507    HD3  PRO  66           HD3      PRO  66  10.214  10.476  11.846
  508    H    HIS  67           H        HIS  67   8.511  14.879   8.738
  509    HA   HIS  67           HA       HIS  67   8.652  14.610   5.933
  510    HB2  HIS  67           HB2      HIS  67   7.091  12.768   6.011
  511    HB3  HIS  67           HB3      HIS  67   6.134  13.536   7.265
  512    HD1  HIS  67           HD1      HIS  67   4.193  15.148   6.511
  513    HD2  HIS  67           HD2      HIS  67   6.650  13.800   3.359
  514    HE1  HIS  67           HE1      HIS  67   3.041  15.789   4.350
  515    H    ALA  68           H        ALA  68   7.555  16.424   4.979
  516    HA   ALA  68           HA       ALA  68   6.036  18.286   6.658
  517    HB1  ALA  68           HB3      ALA  68   8.486  19.139   5.043
  518    HB2  ALA  68           HB1      ALA  68   7.285  20.238   5.749
  519    HB3  ALA  68           HB2      ALA  68   8.295  19.253   6.807
  520    H    ARG  69           H        ARG  69   4.665  19.637   5.335
  521    HA   ARG  69           HA       ARG  69   3.435  18.186   3.266
  522    HB2  ARG  69           HB2      ARG  69   3.380  21.159   3.885
  523    HB3  ARG  69           HB3      ARG  69   2.300  20.361   2.720
  524    HG2  ARG  69           HG2      ARG  69   1.590  18.809   4.647
  525    HG3  ARG  69           HG3      ARG  69   2.436  19.919   5.732
  526    HD2  ARG  69           HD2      ARG  69   0.064  20.525   3.932
  527    HD3  ARG  69           HD3      ARG  69   0.063  20.438   5.689
  528    HE   ARG  69           HE       ARG  69   1.290  22.470   5.843
  529   HH11  ARG  69          HH11      ARG  69   0.111  21.816   2.556
  530   HH12  ARG  69          HH12      ARG  69   0.611  23.346   1.910
  531   HH21  ARG  69          HH21      ARG  69   1.852  24.548   5.017
  532   HH22  ARG  69          HH22      ARG  69   1.648  24.913   3.335
  533    HA   PRO  70           HA       PRO  70   6.052  18.221  -0.164
  534    HB2  PRO  70           HB2      PRO  70   3.686  19.385  -1.717
  535    HB3  PRO  70           HB3      PRO  70   4.826  18.127  -2.248
  536    HG2  PRO  70           HG2      PRO  70   2.418  17.437  -1.220
  537    HG3  PRO  70           HG3      PRO  70   3.872  16.540  -0.684
  538    HD2  PRO  70           HD2      PRO  70   2.343  18.674   0.770
  539    HD3  PRO  70           HD3      PRO  70   3.191  17.229   1.403
  540    H    GLU  71           H        GLU  71   4.052  21.240  -0.120
  541    HA   GLU  71           HA       GLU  71   5.687  22.840  -1.733
  542    HB2  GLU  71           HB2      GLU  71   4.379  24.703  -0.878
  543    HB3  GLU  71           HB3      GLU  71   3.341  23.306  -1.164
  544    HG2  GLU  71           HG2      GLU  71   3.415  22.781   1.291
  545    HG3  GLU  71           HG3      GLU  71   4.419  24.207   1.551
  546    H    CYS  72           H        CYS  72   6.498  21.717   1.402
  547    HA   CYS  72           HA       CYS  72   7.943  24.087   2.305
  548    HB2  CYS  72           HB2      CYS  72   8.037  21.204   3.305
  549    HB3  CYS  72           HB3      CYS  72   8.705  22.629   4.116
  550    HG   CYS  72           HG       CYS  72   5.618  21.790   3.400
  551    H    GLY  73           H        GLY  73   8.590  21.792  -0.107
  552    HA2  GLY  73           HA2      GLY  73  10.760  22.511  -1.228
  553    HA3  GLY  73           HA3      GLY  73  11.552  22.014   0.271
  554    H    ALA  74           H        ALA  74   8.820  19.994  -0.715
  555    HA   ALA  74           HA       ALA  74  10.642  17.778  -1.339
  556    HB1  ALA  74           HB3      ALA  74   8.663  16.502  -1.754
  557    HB2  ALA  74           HB1      ALA  74   8.484  17.345  -0.209
  558    HB3  ALA  74           HB2      ALA  74   7.657  17.963  -1.671
  559    H    LEU  75           H        LEU  75  11.044  16.957  -3.328
  560    HA   LEU  75           HA       LEU  75  10.304  18.608  -5.711
  561    HB2  LEU  75           HB2      LEU  75  12.984  17.335  -5.039
  562    HB3  LEU  75           HB3      LEU  75  12.614  18.211  -6.514
  563    HG   LEU  75           HG       LEU  75  12.620  19.441  -3.723
  564   HD11  LEU  75          HD11      LEU  75  14.703  19.613  -5.932
  565   HD12  LEU  75          HD12      LEU  75  14.725  20.517  -4.398
  566   HD13  LEU  75          HD13      LEU  75  14.870  18.756  -4.388
  567   HD21  LEU  75          HD23      LEU  75  12.438  20.753  -6.475
  568   HD22  LEU  75          HD21      LEU  75  11.138  20.676  -5.267
  569   HD23  LEU  75          HD22      LEU  75  12.594  21.608  -4.923
  570    H    LYS  76           H        LYS  76  11.064  15.402  -4.375
  571    HA   LYS  76           HA       LYS  76   9.593  14.135  -6.567
  572    HB2  LYS  76           HB2      LYS  76  12.334  13.300  -5.582
  573    HB3  LYS  76           HB3      LYS  76  11.323  12.319  -6.650
  574    HG2  LYS  76           HG2      LYS  76  11.484  14.097  -8.382
  575    HG3  LYS  76           HG3      LYS  76  12.544  15.037  -7.318
  576    HD2  LYS  76           HD2      LYS  76  13.172  12.234  -8.341
  577    HD3  LYS  76           HD3      LYS  76  13.765  13.737  -9.062
  578    HE2  LYS  76           HE2      LYS  76  14.878  14.335  -6.915
  579    HE3  LYS  76           HE3      LYS  76  14.334  12.806  -6.206
  580    HZ1  LYS  76           HZ3      LYS  76  15.682  11.623  -7.795
  581    HZ2  LYS  76           HZ1      LYS  76  16.116  13.001  -8.563
  582    HZ3  LYS  76           HZ2      LYS  76  16.620  12.736  -7.032
  583    H    THR  77           H        THR  77   8.901  11.843  -5.806
  584    HA   THR  77           HA       THR  77   8.415  11.916  -2.960
  585    HB   THR  77           HB       THR  77   7.290  10.316  -5.278
  586    HG1  THR  77           HG1      THR  77   6.043  11.921  -5.540
  587   HG21  THR  77          HG23      THR  77   7.025   9.117  -3.152
  588   HG22  THR  77          HG21      THR  77   6.308  10.571  -2.413
  589   HG23  THR  77          HG22      THR  77   5.476   9.718  -3.743
  590    H    GLY  78           H        GLY  78   9.301  10.519  -1.474
  591    HA2  GLY  78           HA2      GLY  78  10.316   7.916  -2.049
  592    HA3  GLY  78           HA3      GLY  78  11.643   9.087  -1.999
  593    H    MET  79           H        MET  79  11.939   7.350  -0.099
  594    HA   MET  79           HA       MET  79  11.095   8.587   2.441
  595    HB2  MET  79           HB2      MET  79  10.820   5.666   1.606
  596    HB3  MET  79           HB3      MET  79  10.766   6.192   3.279
  597    HG2  MET  79           HG2      MET  79   8.771   7.524   2.887
  598    HG3  MET  79           HG3      MET  79   8.786   7.087   1.174
  599    HE1  MET  79           HE3      MET  79   6.748   5.872   0.765
  600    HE2  MET  79           HE1      MET  79   6.031   4.600   1.771
  601    HE3  MET  79           HE2      MET  79   6.054   6.284   2.352
  602    H    SER  80           H        SER  80  12.292   7.494   4.253
  603    HA   SER  80           HA       SER  80  14.882   6.281   3.671
  604    HB2  SER  80           HB2      SER  80  15.704   8.176   5.468
  605    HB3  SER  80           HB3      SER  80  15.926   8.287   3.723
  606    HG   SER  80           HG       SER  80  14.630   9.968   5.268
  607    H    LEU  81           H        LEU  81  15.788   5.379   5.700
  608    HA   LEU  81           HA       LEU  81  13.863   4.973   7.915
  609    HB2  LEU  81           HB2      LEU  81  13.682   3.181   6.269
  610    HB3  LEU  81           HB3      LEU  81  15.426   2.982   6.187
  611    HG   LEU  81           HG       LEU  81  15.549   1.981   8.329
  612   HD11  LEU  81          HD11      LEU  81  13.840   3.335   9.587
  613   HD12  LEU  81          HD12      LEU  81  12.568   2.487   8.680
  614   HD13  LEU  81          HD13      LEU  81  13.615   1.603   9.783
  615   HD21  LEU  81          HD23      LEU  81  14.113   0.004   7.858
  616   HD22  LEU  81          HD21      LEU  81  13.099   0.997   6.806
  617   HD23  LEU  81          HD22      LEU  81  14.770   0.677   6.340
  618    H    THR  82           H        THR  82  14.865   5.539   9.765
  619    HA   THR  82           HA       THR  82  17.816   5.235   9.982
  620    HB   THR  82           HB       THR  82  15.998   7.385  11.173
  621    HG1  THR  82           HG1      THR  82  16.396   7.582   8.916
  622   HG21  THR  82          HG23      THR  82  17.865   6.987  12.658
  623   HG22  THR  82          HG21      THR  82  19.020   7.001  11.301
  624   HG23  THR  82          HG22      THR  82  18.164   8.493  11.780
  625    H    LEU  83           H        LEU  83  18.500   4.280  11.911
  626    HA   LEU  83           HA       LEU  83  16.497   3.911  14.050
  627    HB2  LEU  83           HB2      LEU  83  16.824   1.758  12.665
  628    HB3  LEU  83           HB3      LEU  83  18.505   1.780  13.194
  629    HG   LEU  83           HG       LEU  83  17.518   1.834  15.629
  630   HD11  LEU  83          HD11      LEU  83  15.083   0.613  14.279
  631   HD12  LEU  83          HD12      LEU  83  15.325   1.136  15.979
  632   HD13  LEU  83          HD13      LEU  83  15.159   2.327  14.698
  633   HD21  LEU  83          HD23      LEU  83  17.235  -0.610  15.671
  634   HD22  LEU  83          HD21      LEU  83  17.231  -0.613  13.896
  635   HD23  LEU  83          HD22      LEU  83  18.678  -0.099  14.781
  636    H    LEU  84           H        LEU  84  17.401   3.992  16.104
  637    HA   LEU  84           HA       LEU  84  20.280   4.812  16.294
  638    HB2  LEU  84           HB2      LEU  84  17.939   5.486  18.133
  639    HB3  LEU  84           HB3      LEU  84  19.626   5.835  18.422
  640    HG   LEU  84           HG       LEU  84  18.726   7.835  17.916
  641   HD11  LEU  84          HD11      LEU  84  19.864   6.948  15.233
  642   HD12  LEU  84          HD12      LEU  84  19.878   8.581  15.908
  643   HD13  LEU  84          HD13      LEU  84  20.854   7.307  16.668
  644   HD21  LEU  84          HD23      LEU  84  16.580   7.156  16.931
  645   HD22  LEU  84          HD21      LEU  84  17.367   8.412  15.968
  646   HD23  LEU  84          HD22      LEU  84  17.389   6.729  15.408
  647    H    GLU  85           H        GLU  85  21.497   3.457  17.542
  648    HA   GLU  85           HA       GLU  85  20.418   1.245  19.015
  649    HB2  GLU  85           HB2      GLU  85  23.086   2.708  19.116
  650    HB3  GLU  85           HB3      GLU  85  22.753   1.276  20.083
  651    HG2  GLU  85           HG2      GLU  85  22.523   1.276  17.041
  652    HG3  GLU  85           HG3      GLU  85  24.025   0.948  17.890
  653    H    GLN  86           H        GLN  86  21.411   4.544  19.758
  654    HA   GLN  86           HA       GLN  86  20.080   4.485  22.427
  655    HB2  GLN  86           HB2      GLN  86  22.424   6.214  21.584
  656    HB3  GLN  86           HB3      GLN  86  21.727   6.074  23.194
  657    HG2  GLN  86           HG2      GLN  86  22.544   3.752  23.356
  658    HG3  GLN  86           HG3      GLN  86  23.147   3.834  21.691
  659   HE21  GLN  86          HE22      GLN  86  24.787   5.455  21.157
  660   HE22  GLN  86          HE21      GLN  86  25.992   5.875  22.371
  661    H    GLY  87           H        GLY  87  18.117   5.195  21.683
  662    HA2  GLY  87           HA2      GLY  87  17.491   7.034  19.716
  663    HA3  GLY  87           HA3      GLY  87  16.484   6.664  21.113
  664    H    VAL  88           H        VAL  88  16.488   9.127  19.891
  665    HA   VAL  88           HA       VAL  88  17.684  10.920  21.942
  666    HB   VAL  88           HB       VAL  88  17.529  11.377  18.930
  667   HG11  VAL  88          HG11      VAL  88  17.126  13.505  20.093
  668   HG12  VAL  88          HG12      VAL  88  18.545  13.226  21.141
  669   HG13  VAL  88          HG13      VAL  88  18.743  13.475  19.394
  670   HG21  VAL  88          HG23      VAL  88  20.075  11.564  19.301
  671   HG22  VAL  88          HG21      VAL  88  19.809  10.863  20.894
  672   HG23  VAL  88          HG22      VAL  88  19.381   9.934  19.440
  673    H    TYR  89           H        TYR  89  16.332  12.778  22.401
  674    HA   TYR  89           HA       TYR  89  13.495  11.921  22.153
  675    HB2  TYR  89           HB2      TYR  89  14.815  11.680  24.313
  676    HB3  TYR  89           HB3      TYR  89  14.789  13.424  24.436
  677    HD1  TYR  89           HD1      TYR  89  11.589  12.626  23.058
  678    HD2  TYR  89           HD2      TYR  89  13.911  12.252  26.697
  679    HE1  TYR  89           HE1      TYR  89   9.550  12.501  24.352
  680    HE2  TYR  89           HE2      TYR  89  11.816  12.097  28.006
  681    HH   TYR  89           HH       TYR  89   8.579  12.290  26.431
  682    H    PHE  90           H        PHE  90  12.467  13.137  20.723
  683    HA   PHE  90           HA       PHE  90  12.886  15.937  20.235
  684    HB2  PHE  90           HB2      PHE  90  10.492  14.083  19.897
  685    HB3  PHE  90           HB3      PHE  90  10.500  15.754  19.340
  686    HD1  PHE  90           HD2      PHE  90  12.924  16.252  17.957
  687    HD2  PHE  90           HD1      PHE  90  10.525  12.677  18.014
  688    HE1  PHE  90           HE2      PHE  90  13.873  15.579  15.777
  689    HE2  PHE  90           HE1      PHE  90  11.457  12.020  15.804
  690    HZ   PHE  90           HZ       PHE  90  13.145  13.465  14.686
  691    HA   PRO  91           HA       PRO  91  10.661  17.440  23.833
  692    HB2  PRO  91           HB2      PRO  91  10.033  20.003  23.110
  693    HB3  PRO  91           HB3      PRO  91  11.710  19.445  23.327
  694    HG2  PRO  91           HG2      PRO  91  10.157  19.603  20.720
  695    HG3  PRO  91           HG3      PRO  91  11.767  20.309  21.087
  696    HD2  PRO  91           HD2      PRO  91  11.514  17.889  19.867
  697    HD3  PRO  91           HD3      PRO  91  12.808  18.185  21.063
  698    H    GLY  92           H        GLY  92   9.066  15.575  22.573
  699    HA2  GLY  92           HA2      GLY  92   6.507  16.238  23.434
  700    HA3  GLY  92           HA3      GLY  92   6.499  16.621  21.715
  701    H    ASN  93           H        ASN  93   7.865  13.890  23.709
  702    HA   ASN  93           HA       ASN  93   5.964  12.079  22.429
  703    HB2  ASN  93           HB2      ASN  93   8.227  11.989  21.116
  704    HB3  ASN  93           HB3      ASN  93   8.875  11.196  22.555
  705   HD21  ASN  93          HD22      ASN  93   6.171  11.099  20.241
  706   HD22  ASN  93          HD21      ASN  93   5.945   9.357  20.276
  707    H    ASP  94           H        ASP  94   6.181   9.812  23.597
  708    HA   ASP  94           HA       ASP  94   6.123  10.305  26.469
  709    HB2  ASP  94           HB2      ASP  94   4.533   8.754  25.404
  710    HB3  ASP  94           HB3      ASP  94   5.875   7.752  24.846
  711    H    GLU  95           H        GLU  95   8.366   8.867  24.113
  712    HA   GLU  95           HA       GLU  95  10.480   8.832  26.139
  713    HB2  GLU  95           HB2      GLU  95  10.812   6.535  26.073
  714    HB3  GLU  95           HB3      GLU  95   9.055   6.673  26.006
  715    HG2  GLU  95           HG2      GLU  95   9.094   6.310  23.564
  716    HG3  GLU  95           HG3      GLU  95  10.856   6.151  23.628
  717    HA   PRO  96           HA       PRO  96  13.275   9.898  22.867
  718    HB2  PRO  96           HB2      PRO  96  14.898   7.416  23.382
  719    HB3  PRO  96           HB3      PRO  96  15.439   9.118  23.283
  720    HG2  PRO  96           HG2      PRO  96  15.179   7.875  25.688
  721    HG3  PRO  96           HG3      PRO  96  14.660   9.578  25.483
  722    HD2  PRO  96           HD2      PRO  96  12.951   7.079  25.455
  723    HD3  PRO  96           HD3      PRO  96  12.661   8.643  26.284
  724    H    ILE  97           H        ILE  97  13.325   9.595  20.646
  725    HA   ILE  97           HA       ILE  97  11.863   7.324  19.526
  726    HB   ILE  97           HB       ILE  97  13.312   9.606  18.138
  727   HG12  ILE  97          HG12      ILE  97  11.604  10.659  19.404
  728   HG13  ILE  97          HG13      ILE  97  11.004  10.511  17.763
  729   HG21  ILE  97          HG21      ILE  97  12.982   7.695  16.620
  730   HG22  ILE  97          HG22      ILE  97  11.276   7.584  17.090
  731   HG23  ILE  97          HG23      ILE  97  11.862   8.997  16.215
  732   HD11  ILE  97          HD13      ILE  97   9.598   8.556  18.467
  733   HD12  ILE  97          HD11      ILE  97  10.143   8.823  20.148
  734   HD13  ILE  97          HD12      ILE  97   9.214  10.065  19.308
  735    H    LYS  98           H        LYS  98  12.770   5.502  18.847
  736    HA   LYS  98           HA       LYS  98  15.737   5.429  18.459
  737    HB2  LYS  98           HB2      LYS  98  13.751   3.326  19.344
  738    HB3  LYS  98           HB3      LYS  98  15.239   2.856  18.506
  739    HG2  LYS  98           HG2      LYS  98  16.615   3.986  20.181
  740    HG3  LYS  98           HG3      LYS  98  15.175   4.589  21.008
  741    HD2  LYS  98           HD2      LYS  98  16.132   2.668  22.196
  742    HD3  LYS  98           HD3      LYS  98  14.500   2.348  21.631
  743    HE2  LYS  98           HE2      LYS  98  15.858   0.374  21.338
  744    HE3  LYS  98           HE3      LYS  98  15.367   0.985  19.761
  745    HZ1  LYS  98           HZ3      LYS  98  17.589   1.889  19.461
  746    HZ2  LYS  98           HZ1      LYS  98  18.047   1.452  20.976
  747    HZ3  LYS  98           HZ2      LYS  98  17.699   0.310  19.856
  748    H    LEU  99           H        LEU  99  12.696   5.416  16.745
  749    HA   LEU  99           HA       LEU  99  14.112   4.456  14.318
  750    HB2  LEU  99           HB2      LEU  99  12.886   2.548  15.326
  751    HB3  LEU  99           HB3      LEU  99  11.466   3.567  15.542
  752    HG   LEU  99           HG       LEU  99  11.160   3.669  13.074
  753   HD11  LEU  99          HD11      LEU  99  13.427   1.601  12.999
  754   HD12  LEU  99          HD12      LEU  99  12.327   1.974  11.666
  755   HD13  LEU  99          HD13      LEU  99  13.438   3.205  12.255
  756   HD21  LEU  99          HD23      LEU  99  10.204   1.468  12.931
  757   HD22  LEU  99          HD21      LEU  99  11.303   0.846  14.192
  758   HD23  LEU  99          HD22      LEU  99  10.036   2.014  14.590
  759    H    LEU 100           H        LEU 100  13.687   5.613  12.542
  760    HA   LEU 100           HA       LEU 100  11.349   7.441  12.536
  761    HB2  LEU 100           HB2      LEU 100  14.101   8.359  11.624
  762    HB3  LEU 100           HB3      LEU 100  12.634   9.288  11.735
  763    HG   LEU 100           HG       LEU 100  12.871   8.466  14.318
  764   HD11  LEU 100          HD11      LEU 100  15.065   7.338  13.913
  765   HD12  LEU 100          HD12      LEU 100  15.741   8.905  13.423
  766   HD13  LEU 100          HD13      LEU 100  15.170   8.659  15.087
  767   HD21  LEU 100          HD23      LEU 100  14.310  10.943  13.382
  768   HD22  LEU 100          HD21      LEU 100  12.545  10.810  13.551
  769   HD23  LEU 100          HD22      LEU 100  13.598  10.626  14.966
  770    H    ILE 101           H        ILE 101  10.298   7.317  10.576
  771    HA   ILE 101           HA       ILE 101  11.933   6.450   8.246
  772    HB   ILE 101           HB       ILE 101   9.100   5.735   8.974
  773   HG12  ILE 101          HG12      ILE 101  11.592   4.400   7.847
  774   HG13  ILE 101          HG13      ILE 101  10.812   4.121   9.403
  775   HG21  ILE 101          HG21      ILE 101   8.771   6.898   6.847
  776   HG22  ILE 101          HG22      ILE 101  10.065   5.931   6.094
  777   HG23  ILE 101          HG23      ILE 101   8.551   5.177   6.648
  778   HD11  ILE 101          HD13      ILE 101   8.846   3.162   8.016
  779   HD12  ILE 101          HD11      ILE 101   9.980   3.220   6.639
  780   HD13  ILE 101          HD12      ILE 101  10.360   2.227   8.047
  781    H    GLY 102           H        GLY 102  12.379   7.990   6.903
  782    HA2  GLY 102           HA2      GLY 102  11.040  10.605   7.092
  783    HA3  GLY 102           HA3      GLY 102  12.398  10.178   6.045
  784    H    LEU 103           H        LEU 103   9.648  11.332   5.411
  785    HA   LEU 103           HA       LEU 103   9.315   9.746   2.957
  786    HB2  LEU 103           HB2      LEU 103   7.419   9.086   4.632
  787    HB3  LEU 103           HB3      LEU 103   6.909  10.759   4.510
  788    HG   LEU 103           HG       LEU 103   6.767   8.532   2.410
  789   HD11  LEU 103          HD11      LEU 103   4.358   9.318   2.478
  790   HD12  LEU 103          HD12      LEU 103   4.931   8.778   4.034
  791   HD13  LEU 103          HD13      LEU 103   4.794  10.510   3.698
  792   HD21  LEU 103          HD23      LEU 103   7.428  10.278   0.998
  793   HD22  LEU 103          HD21      LEU 103   5.694  10.266   0.886
  794   HD23  LEU 103          HD22      LEU 103   6.443  11.512   1.874
  795    H    SER 104           H        SER 104   9.164  11.231   1.267
  796    HA   SER 104           HA       SER 104   8.287  13.988   1.777
  797    HB2  SER 104           HB2      SER 104  10.825  13.466   0.204
  798    HB3  SER 104           HB3      SER 104  10.129  15.015   0.740
  799    HG   SER 104           HG       SER 104  10.381  13.844   2.927
  800    H    ALA 105           H        ALA 105   7.213  14.818  -0.111
  801    HA   ALA 105           HA       ALA 105   6.824  12.881  -2.321
  802    HB1  ALA 105           HB3      ALA 105   4.649  13.957  -0.505
  803    HB2  ALA 105           HB1      ALA 105   4.397  13.011  -1.985
  804    HB3  ALA 105           HB2      ALA 105   5.198  12.261  -0.589
  805    H    ALA 106           H        ALA 106   6.370  13.870  -4.236
  806    HA   ALA 106           HA       ALA 106   6.773  16.717  -4.365
  807    HB1  ALA 106           HB3      ALA 106   6.539  16.373  -6.808
  808    HB2  ALA 106           HB1      ALA 106   7.634  15.177  -6.095
  809    HB3  ALA 106           HB2      ALA 106   5.971  14.714  -6.528
  810    H    ASP 107           H        ASP 107   3.929  14.678  -4.135
  811    HA   ASP 107           HA       ASP 107   2.171  17.053  -4.354
  812    HB2  ASP 107           HB2      ASP 107   2.218  16.090  -6.633
  813    HB3  ASP 107           HB3      ASP 107   1.792  14.506  -5.983
  814    H    ALA 108           H        ALA 108   0.066  16.670  -3.342
  815    HA   ALA 108           HA       ALA 108   0.293  15.273  -0.917
  816    HB1  ALA 108           HB3      ALA 108  -2.211  16.284  -2.330
  817    HB2  ALA 108           HB1      ALA 108  -2.085  15.851  -0.614
  818    HB3  ALA 108           HB2      ALA 108  -1.166  17.233  -1.241
  819    H    ASP 109           H        ASP 109  -1.102  14.170  -4.031
  820    HA   ASP 109           HA       ASP 109  -2.321  11.806  -2.780
  821    HB2  ASP 109           HB2      ASP 109  -3.301  12.668  -4.781
  822    HB3  ASP 109           HB3      ASP 109  -1.763  12.512  -5.663
  823    H    SER 110           H        SER 110   0.779  12.622  -4.305
  824    HA   SER 110           HA       SER 110   1.842   9.951  -4.281
  825    HB2  SER 110           HB2      SER 110   3.418  12.544  -4.029
  826    HB3  SER 110           HB3      SER 110   3.965  10.978  -4.630
  827    HG   SER 110           HG       SER 110   3.472  12.347  -6.357
  828    H    HIS 111           H        HIS 111   1.755  12.611  -1.849
  829    HA   HIS 111           HA       HIS 111   3.159  11.268   0.231
  830    HB2  HIS 111           HB2      HIS 111   2.734  13.572   0.560
  831    HB3  HIS 111           HB3      HIS 111   1.038  13.419   0.188
  832    HD1  HIS 111           HD1      HIS 111   3.385  13.170   3.142
  833    HD2  HIS 111           HD2      HIS 111  -0.656  12.650   2.100
  834    HE1  HIS 111           HE1      HIS 111   2.109  12.941   5.324
  835    H    ILE 112           H        ILE 112  -0.372  11.272  -0.547
  836    HA   ILE 112           HA       ILE 112  -1.174   9.496   1.495
  837    HB   ILE 112           HB       ILE 112  -2.239  10.029  -1.302
  838   HG12  ILE 112          HG12      ILE 112  -2.337  11.873   0.443
  839   HG13  ILE 112          HG13      ILE 112  -3.837  11.445  -0.360
  840   HG21  ILE 112          HG21      ILE 112  -3.051   7.837  -0.859
  841   HG22  ILE 112          HG22      ILE 112  -3.525   8.271   0.797
  842   HG23  ILE 112          HG23      ILE 112  -4.377   8.970  -0.605
  843   HD11  ILE 112          HD13      ILE 112  -4.082  11.895   2.048
  844   HD12  ILE 112          HD11      ILE 112  -4.604  10.258   1.621
  845   HD13  ILE 112          HD12      ILE 112  -3.028  10.511   2.420
  846    H    GLY 113           H        GLY 113  -0.185   8.658  -1.910
  847    HA2  GLY 113           HA2      GLY 113  -0.467   5.878  -1.629
  848    HA3  GLY 113           HA3      GLY 113   0.636   6.692  -2.756
  849    H    ALA 114           H        ALA 114   2.314   7.969  -0.843
  850    HA   ALA 114           HA       ALA 114   4.182   5.862  -0.240
  851    HB1  ALA 114           HB3      ALA 114   4.888   8.093  -0.932
  852    HB2  ALA 114           HB1      ALA 114   4.035   8.832   0.413
  853    HB3  ALA 114           HB2      ALA 114   5.456   7.807   0.713
  854    H    ILE 115           H        ILE 115   2.242   8.036   1.941
  855    HA   ILE 115           HA       ILE 115   2.847   6.962   4.375
  856    HB   ILE 115           HB       ILE 115   0.521   8.247   3.141
  857   HG12  ILE 115          HG12      ILE 115   2.404   9.728   3.739
  858   HG13  ILE 115          HG13      ILE 115   0.936  10.113   4.618
  859   HG21  ILE 115          HG21      ILE 115  -0.676   6.914   4.557
  860   HG22  ILE 115          HG22      ILE 115   0.474   7.131   5.904
  861   HG23  ILE 115          HG23      ILE 115  -0.588   8.477   5.365
  862   HD11  ILE 115          HD13      ILE 115   3.312   8.645   5.737
  863   HD12  ILE 115          HD11      ILE 115   2.848  10.320   6.057
  864   HD13  ILE 115          HD12      ILE 115   1.809   9.003   6.630
  865    H    GLN 116           H        GLN 116   0.321   5.947   1.982
  866    HA   GLN 116           HA       GLN 116  -0.724   3.836   3.597
  867    HB2  GLN 116           HB2      GLN 116  -0.892   4.470   0.626
  868    HB3  GLN 116           HB3      GLN 116  -1.757   3.114   1.349
  869    HG2  GLN 116           HG2      GLN 116  -2.059   5.967   2.359
  870    HG3  GLN 116           HG3      GLN 116  -3.064   5.285   1.082
  871   HE21  GLN 116          HE22      GLN 116  -4.478   3.409   1.637
  872   HE22  GLN 116          HE21      GLN 116  -4.975   3.177   3.293
  873    H    ALA 117           H        ALA 117   2.282   3.941   2.007
  874    HA   ALA 117           HA       ALA 117   2.443   1.021   1.844
  875    HB1  ALA 117           HB3      ALA 117   3.322   2.290  -0.136
  876    HB2  ALA 117           HB1      ALA 117   4.454   3.137   0.923
  877    HB3  ALA 117           HB2      ALA 117   4.607   1.392   0.688
  878    H    LEU 118           H        LEU 118   3.919   3.879   3.446
  879    HA   LEU 118           HA       LEU 118   5.615   2.134   4.977
  880    HB2  LEU 118           HB2      LEU 118   6.251   4.062   6.209
  881    HB3  LEU 118           HB3      LEU 118   6.295   4.297   4.438
  882    HG   LEU 118           HG       LEU 118   4.364   5.643   4.477
  883   HD11  LEU 118          HD11      LEU 118   3.065   5.112   6.466
  884   HD12  LEU 118          HD12      LEU 118   4.475   5.318   7.508
  885   HD13  LEU 118          HD13      LEU 118   3.674   6.691   6.691
  886   HD21  LEU 118          HD23      LEU 118   5.504   7.595   5.651
  887   HD22  LEU 118          HD21      LEU 118   6.574   6.450   6.424
  888   HD23  LEU 118          HD22      LEU 118   6.624   6.645   4.661
  889    H    SER 119           H        SER 119   2.432   3.347   5.485
  890    HA   SER 119           HA       SER 119   2.112   2.642   8.197
  891    HB2  SER 119           HB2      SER 119   0.025   2.387   5.990
  892    HB3  SER 119           HB3      SER 119  -0.294   2.461   7.733
  893    HG   SER 119           HG       SER 119   0.796   4.466   6.045
  894    H    GLU 120           H        GLU 120   2.529   0.479   5.444
  895    HA   GLU 120           HA       GLU 120   1.386  -1.847   6.671
  896    HB2  GLU 120           HB2      GLU 120   3.564  -1.645   4.569
  897    HB3  GLU 120           HB3      GLU 120   2.681  -3.104   4.978
  898    HG2  GLU 120           HG2      GLU 120   1.305  -0.596   3.956
  899    HG3  GLU 120           HG3      GLU 120   1.909  -1.847   2.877
  900    H    LEU 121           H        LEU 121   4.208   0.025   7.149
  901    HA   LEU 121           HA       LEU 121   5.604  -2.125   8.687
  902    HB2  LEU 121           HB2      LEU 121   6.666   0.553   7.685
  903    HB3  LEU 121           HB3      LEU 121   7.593  -0.703   8.494
  904    HG   LEU 121           HG       LEU 121   6.370  -0.732   5.710
  905   HD11  LEU 121          HD11      LEU 121   8.744  -1.013   5.037
  906   HD12  LEU 121          HD12      LEU 121   8.487   0.470   5.971
  907   HD13  LEU 121          HD13      LEU 121   9.232  -0.950   6.740
  908   HD21  LEU 121          HD23      LEU 121   7.329  -2.991   5.360
  909   HD22  LEU 121          HD21      LEU 121   7.856  -3.071   7.042
  910   HD23  LEU 121          HD22      LEU 121   6.124  -3.057   6.641
  911    H    LEU 122           H        LEU 122   5.145   1.450   8.947
  912    HA   LEU 122           HA       LEU 122   5.766   1.577  11.729
  913    HB2  LEU 122           HB2      LEU 122   4.322   3.577  10.022
  914    HB3  LEU 122           HB3      LEU 122   5.161   3.847  11.565
  915    HG   LEU 122           HG       LEU 122   6.492   3.001   8.969
  916   HD11  LEU 122          HD11      LEU 122   5.577   5.436   9.497
  917   HD12  LEU 122          HD12      LEU 122   7.094   5.552  10.405
  918   HD13  LEU 122          HD13      LEU 122   7.084   5.150   8.658
  919   HD21  LEU 122          HD23      LEU 122   7.776   2.012  10.781
  920   HD22  LEU 122          HD21      LEU 122   8.626   3.478  10.293
  921   HD23  LEU 122          HD22      LEU 122   7.641   3.493  11.757
  922    H    CYS 123           H        CYS 123   2.826   0.466  10.364
  923    HA   CYS 123           HA       CYS 123   1.519   0.911  12.995
  924    HB2  CYS 123           HB2      CYS 123   0.089   0.689  10.313
  925    HB3  CYS 123           HB3      CYS 123  -0.635   1.031  11.884
  926    HG   CYS 123           HG       CYS 123   0.655   3.280  12.313
  927    H    GLU 124           H        GLU 124   3.320  -1.210  12.136
  928    HA   GLU 124           HA       GLU 124   1.568  -3.498  12.789
  929    HB2  GLU 124           HB2      GLU 124   3.576  -3.328  10.533
  930    HB3  GLU 124           HB3      GLU 124   3.292  -4.862  11.356
  931    HG2  GLU 124           HG2      GLU 124   1.037  -3.224  10.147
  932    HG3  GLU 124           HG3      GLU 124   1.935  -4.443   9.246
  933    H    GLU 125           H        GLU 125   2.074  -3.648  14.838
  934    HA   GLU 125           HA       GLU 125   4.490  -2.904  16.023
  935    HB2  GLU 125           HB2      GLU 125   3.713  -4.036  18.014
  936    HB3  GLU 125           HB3      GLU 125   2.403  -3.148  17.240
  937    HG2  GLU 125           HG2      GLU 125   1.588  -5.308  16.230
  938    HG3  GLU 125           HG3      GLU 125   2.853  -6.164  17.111
  939    H    GLU 126           H        GLU 126   3.699  -5.906  14.405
  940    HA   GLU 126           HA       GLU 126   5.793  -7.537  15.422
  941    HB2  GLU 126           HB2      GLU 126   4.405  -7.529  12.710
  942    HB3  GLU 126           HB3      GLU 126   5.495  -8.805  13.256
  943    HG2  GLU 126           HG2      GLU 126   2.940  -7.990  14.685
  944    HG3  GLU 126           HG3      GLU 126   3.050  -9.296  13.509
  945    H    ILE 127           H        ILE 127   5.554  -5.391  12.600
  946    HA   ILE 127           HA       ILE 127   8.272  -5.731  11.701
  947    HB   ILE 127           HB       ILE 127   6.003  -3.908  11.051
  948   HG12  ILE 127          HG12      ILE 127   6.269  -4.778   8.813
  949   HG13  ILE 127          HG13      ILE 127   7.760  -5.617   9.255
  950   HG21  ILE 127          HG21      ILE 127   7.714  -2.297  10.948
  951   HG22  ILE 127          HG22      ILE 127   8.891  -3.463  10.296
  952   HG23  ILE 127          HG23      ILE 127   7.566  -2.877   9.288
  953   HD11  ILE 127          HD13      ILE 127   6.518  -7.223  10.592
  954   HD12  ILE 127          HD11      ILE 127   5.004  -6.306  10.344
  955   HD13  ILE 127          HD12      ILE 127   5.801  -7.114   8.980
  956    H    LEU 128           H        LEU 128   6.549  -3.314  13.740
  957    HA   LEU 128           HA       LEU 128   8.652  -1.501  13.965
  958    HB2  LEU 128           HB2      LEU 128   6.566  -2.235  16.063
  959    HB3  LEU 128           HB3      LEU 128   7.688  -0.903  16.241
  960    HG   LEU 128           HG       LEU 128   5.560  -1.102  14.075
  961   HD11  LEU 128          HD11      LEU 128   5.816   0.716  16.507
  962   HD12  LEU 128          HD12      LEU 128   4.540   0.786  15.272
  963   HD13  LEU 128          HD13      LEU 128   4.669  -0.624  16.328
  964   HD21  LEU 128          HD23      LEU 128   7.329   0.099  13.064
  965   HD22  LEU 128          HD21      LEU 128   6.261   1.337  13.739
  966   HD23  LEU 128          HD22      LEU 128   7.764   0.921  14.580
  967    H    GLU 129           H        GLU 129   8.157  -4.421  15.950
  968    HA   GLU 129           HA       GLU 129  10.379  -3.856  17.653
  969    HB2  GLU 129           HB2      GLU 129   8.623  -6.245  17.140
  970    HB3  GLU 129           HB3      GLU 129  10.203  -6.523  17.890
  971    HG2  GLU 129           HG2      GLU 129   9.737  -4.870  19.635
  972    HG3  GLU 129           HG3      GLU 129   8.144  -4.545  18.936
  973    H    GLN 130           H        GLN 130  10.081  -5.514  14.473
  974    HA   GLN 130           HA       GLN 130  12.676  -6.748  14.706
  975    HB2  GLN 130           HB2      GLN 130  10.634  -6.388  12.488
  976    HB3  GLN 130           HB3      GLN 130  12.207  -7.173  12.213
  977    HG2  GLN 130           HG2      GLN 130  11.770  -8.865  13.858
  978    HG3  GLN 130           HG3      GLN 130  10.270  -8.083  14.367
  979   HE21  GLN 130          HE22      GLN 130   8.411  -8.223  13.046
  980   HE22  GLN 130          HE21      GLN 130   8.276  -9.412  11.756
  981    H    LEU 131           H        LEU 131  11.358  -3.721  13.338
  982    HA   LEU 131           HA       LEU 131  13.873  -2.783  12.218
  983    HB2  LEU 131           HB2      LEU 131  11.483  -1.279  13.341
  984    HB3  LEU 131           HB3      LEU 131  12.811  -0.537  12.457
  985    HG   LEU 131           HG       LEU 131  11.033  -2.700  11.238
  986   HD11  LEU 131          HD11      LEU 131  10.649   0.302  11.093
  987   HD12  LEU 131          HD12      LEU 131   9.651  -0.935  10.309
  988   HD13  LEU 131          HD13      LEU 131   9.690  -0.821  12.089
  989   HD21  LEU 131          HD23      LEU 131  13.182  -2.200  10.067
  990   HD22  LEU 131          HD21      LEU 131  11.761  -1.748   9.105
  991   HD23  LEU 131          HD22      LEU 131  12.675  -0.496   9.948
  992    H    LEU 132           H        LEU 132  12.071  -2.072  15.238
  993    HA   LEU 132           HA       LEU 132  13.984  -0.434  16.420
  994    HB2  LEU 132           HB2      LEU 132  11.878  -2.201  17.661
  995    HB3  LEU 132           HB3      LEU 132  12.940  -1.256  18.678
  996    HG   LEU 132           HG       LEU 132  11.308   0.061  16.478
  997   HD11  LEU 132          HD11      LEU 132   9.762  -1.071  18.038
  998   HD12  LEU 132          HD12      LEU 132  10.567  -0.293  19.416
  999   HD13  LEU 132          HD13      LEU 132   9.684   0.686  18.221
 1000   HD21  LEU 132          HD23      LEU 132  11.672   2.094  17.819
 1001   HD22  LEU 132          HD21      LEU 132  12.596   1.161  19.015
 1002   HD23  LEU 132          HD22      LEU 132  13.224   1.378  17.369
 1003    H    THR 133           H        THR 133  14.184  -3.927  16.243
 1004    HA   THR 133           HA       THR 133  16.496  -3.894  18.097
 1005    HB   THR 133           HB       THR 133  16.102  -6.319  18.278
 1006    HG1  THR 133           HG1      THR 133  13.687  -5.838  16.881
 1007   HG21  THR 133          HG23      THR 133  13.567  -4.717  18.890
 1008   HG22  THR 133          HG21      THR 133  14.075  -6.244  19.630
 1009   HG23  THR 133          HG22      THR 133  15.026  -4.775  19.903
 1010    H    ALA 134           H        ALA 134  16.142  -3.424  14.885
 1011    HA   ALA 134           HA       ALA 134  17.784  -5.387  13.677
 1012    HB1  ALA 134           HB3      ALA 134  17.158  -2.537  12.864
 1013    HB2  ALA 134           HB1      ALA 134  18.038  -3.690  11.866
 1014    HB3  ALA 134           HB2      ALA 134  16.352  -4.027  12.314
 1015    H    SER 135           H        SER 135  19.735  -5.853  14.454
 1016    HA   SER 135           HA       SER 135  21.554  -3.926  15.538
 1017    HB2  SER 135           HB2      SER 135  23.039  -6.056  15.488
 1018    HB3  SER 135           HB3      SER 135  21.581  -6.037  16.492
 1019    HG   SER 135           HG       SER 135  21.773  -7.963  15.298
 1020    H    SER 136           H        SER 136  20.744  -4.383  12.293
 1021    HA   SER 136           HA       SER 136  23.303  -3.261  11.394
 1022    HB2  SER 136           HB2      SER 136  23.388  -4.987   9.550
 1023    HB3  SER 136           HB3      SER 136  23.768  -5.587  11.168
 1024    HG   SER 136           HG       SER 136  22.390  -6.998  10.111
 1025    H    GLU 137           H        GLU 137  23.162  -2.268   9.331
 1026    HA   GLU 137           HA       GLU 137  20.752  -0.930   8.624
 1027    HB2  GLU 137           HB2      GLU 137  23.154  -0.295   8.118
 1028    HB3  GLU 137           HB3      GLU 137  23.201  -1.582   6.912
 1029    HG2  GLU 137           HG2      GLU 137  21.303  -0.420   5.717
 1030    HG3  GLU 137           HG3      GLU 137  21.424   0.884   6.910
 1031    H    LYS 138           H        LYS 138  22.270  -3.971   7.427
 1032    HA   LYS 138           HA       LYS 138  20.509  -4.369   5.264
 1033    HB2  LYS 138           HB2      LYS 138  21.495  -6.391   4.930
 1034    HB3  LYS 138           HB3      LYS 138  22.738  -5.465   5.747
 1035    HG2  LYS 138           HG2      LYS 138  22.974  -7.442   6.835
 1036    HG3  LYS 138           HG3      LYS 138  21.810  -6.675   7.914
 1037    HD2  LYS 138           HD2      LYS 138  19.965  -7.879   6.668
 1038    HD3  LYS 138           HD3      LYS 138  21.179  -8.668   5.677
 1039    HE2  LYS 138           HE2      LYS 138  20.981  -8.903   8.721
 1040    HE3  LYS 138           HE3      LYS 138  20.284 -10.056   7.582
 1041    HZ1  LYS 138           HZ3      LYS 138  22.416 -10.820   8.365
 1042    HZ2  LYS 138           HZ1      LYS 138  22.517 -10.530   6.769
 1043    HZ3  LYS 138           HZ2      LYS 138  23.181  -9.484   7.839
 1044    H    GLN 139           H        GLN 139  20.060  -5.193   8.668
 1045    HA   GLN 139           HA       GLN 139  17.685  -6.749   8.287
 1046    HB2  GLN 139           HB2      GLN 139  19.055  -5.416  10.562
 1047    HB3  GLN 139           HB3      GLN 139  17.296  -5.505  10.720
 1048    HG2  GLN 139           HG2      GLN 139  17.201  -7.789  10.646
 1049    HG3  GLN 139           HG3      GLN 139  18.856  -7.969   9.999
 1050   HE21  GLN 139          HE22      GLN 139  20.628  -6.883  11.552
 1051   HE22  GLN 139          HE21      GLN 139  20.469  -7.355  13.228
 1052    H    LEU 140           H        LEU 140  18.195  -3.199   8.674
 1053    HA   LEU 140           HA       LEU 140  15.381  -2.573   8.807
 1054    HB2  LEU 140           HB2      LEU 140  17.914  -1.002   8.222
 1055    HB3  LEU 140           HB3      LEU 140  16.351  -0.239   8.143
 1056    HG   LEU 140           HG       LEU 140  16.739  -1.800  10.621
 1057   HD11  LEU 140          HD11      LEU 140  18.256  -0.277  11.730
 1058   HD12  LEU 140          HD12      LEU 140  19.049  -1.007  10.342
 1059   HD13  LEU 140          HD13      LEU 140  18.458   0.671  10.233
 1060   HD21  LEU 140          HD23      LEU 140  14.853  -0.270  10.234
 1061   HD22  LEU 140          HD21      LEU 140  15.722  -0.040  11.747
 1062   HD23  LEU 140          HD22      LEU 140  15.987   1.096  10.405
 1063    H    ALA 141           H        ALA 141  17.777  -2.447   6.121
 1064    HA   ALA 141           HA       ALA 141  15.997  -2.018   4.002
 1065    HB1  ALA 141           HB3      ALA 141  17.745  -2.967   2.574
 1066    HB2  ALA 141           HB1      ALA 141  18.482  -1.946   3.819
 1067    HB3  ALA 141           HB2      ALA 141  18.531  -3.714   3.978
 1068    H    ASP 142           H        ASP 142  16.760  -5.184   5.573
 1069    HA   ASP 142           HA       ASP 142  15.450  -6.770   3.617
 1070    HB2  ASP 142           HB2      ASP 142  16.931  -7.815   5.219
 1071    HB3  ASP 142           HB3      ASP 142  15.936  -7.274   6.574
 1072    H    ILE 143           H        ILE 143  14.253  -5.227   6.653
 1073    HA   ILE 143           HA       ILE 143  11.629  -6.284   6.452
 1074    HB   ILE 143           HB       ILE 143  12.894  -3.959   7.935
 1075   HG12  ILE 143          HG12      ILE 143  11.920  -6.661   9.005
 1076   HG13  ILE 143          HG13      ILE 143  13.565  -6.438   8.439
 1077   HG21  ILE 143          HG21      ILE 143  10.109  -5.152   8.209
 1078   HG22  ILE 143          HG22      ILE 143  10.860  -4.061   9.392
 1079   HG23  ILE 143          HG23      ILE 143  10.531  -3.484   7.752
 1080   HD11  ILE 143          HD13      ILE 143  12.278  -5.121  10.839
 1081   HD12  ILE 143          HD11      ILE 143  13.686  -6.207  10.765
 1082   HD13  ILE 143          HD12      ILE 143  13.824  -4.563  10.136
 1083    H    ILE 144           H        ILE 144  13.178  -3.332   5.165
 1084    HA   ILE 144           HA       ILE 144  10.819  -2.234   3.941
 1085    HB   ILE 144           HB       ILE 144  13.757  -2.129   3.118
 1086   HG12  ILE 144          HG12      ILE 144  13.414  -0.856   5.085
 1087   HG13  ILE 144          HG13      ILE 144  13.574   0.274   3.749
 1088   HG21  ILE 144          HG21      ILE 144  13.192  -0.312   1.545
 1089   HG22  ILE 144          HG22      ILE 144  12.584  -1.879   1.035
 1090   HG23  ILE 144          HG23      ILE 144  11.468  -0.695   1.738
 1091   HD11  ILE 144          HD13      ILE 144  11.774   1.103   5.034
 1092   HD12  ILE 144          HD11      ILE 144  10.967   0.258   3.692
 1093   HD13  ILE 144          HD12      ILE 144  11.108  -0.512   5.292
 1094    H    SER 145           H        SER 145  13.231  -4.543   2.703
 1095    HA   SER 145           HA       SER 145  12.050  -4.773   0.178
 1096    HB2  SER 145           HB2      SER 145  13.758  -6.841   1.634
 1097    HB3  SER 145           HB3      SER 145  13.492  -6.749  -0.114
 1098    HG   SER 145           HG       SER 145  14.820  -4.860   1.560
 1099    H    ARG 146           H        ARG 146  11.332  -6.502   3.181
 1100    HA   ARG 146           HA       ARG 146   9.725  -8.571   2.295
 1101    HB2  ARG 146           HB2      ARG 146  10.635  -7.515   4.687
 1102    HB3  ARG 146           HB3      ARG 146   8.936  -7.064   4.777
 1103    HG2  ARG 146           HG2      ARG 146   8.326  -9.441   4.385
 1104    HG3  ARG 146           HG3      ARG 146  10.059  -9.842   4.271
 1105    HD2  ARG 146           HD2      ARG 146   8.812  -8.487   6.701
 1106    HD3  ARG 146           HD3      ARG 146   8.926 -10.254   6.539
 1107    HE   ARG 146           HE       ARG 146  11.504  -9.122   6.079
 1108   HH11  ARG 146          HH11      ARG 146   9.226  -9.735   8.724
 1109   HH12  ARG 146          HH12      ARG 146  10.452  -9.843   9.946
 1110   HH21  ARG 146          HH21      ARG 146  13.125  -9.298   7.646
 1111   HH22  ARG 146          HH22      ARG 146  12.724  -9.607   9.316
 1112    H    GLY 147           H        GLY 147   8.991  -5.135   2.360
 1113    HA2  GLY 147           HA2      GLY 147   6.105  -5.433   2.617
 1114    HA3  GLY 147           HA3      GLY 147   7.026  -3.952   2.322
  Start of MODEL   18
    1    H    MET   1           H1       MET   1   1.639  -1.778  -0.393
    2    HA   MET   1           HA       MET   1   2.226  -2.301  -3.226
    3    HB2  MET   1           HB2      MET   1   3.215  -0.070  -3.338
    4    HB3  MET   1           HB3      MET   1   1.471  -0.009  -3.103
    5    HG2  MET   1           HG2      MET   1   3.507   0.319  -0.865
    6    HG3  MET   1           HG3      MET   1   2.889   1.660  -1.810
    7    HE1  MET   1           HE3      MET   1   0.762   2.905  -1.458
    8    HE2  MET   1           HE1      MET   1  -0.143   1.534  -2.137
    9    HE3  MET   1           HE2      MET   1  -0.672   2.282  -0.614
   10    H    ARG   2           H        ARG   2   4.498  -2.136  -3.822
   11    HA   ARG   2           HA       ARG   2   6.204  -3.465  -1.899
   12    HB2  ARG   2           HB2      ARG   2   6.715  -2.239  -4.647
   13    HB3  ARG   2           HB3      ARG   2   8.015  -2.827  -3.619
   14    HG2  ARG   2           HG2      ARG   2   7.582  -4.574  -5.103
   15    HG3  ARG   2           HG3      ARG   2   6.913  -5.086  -3.548
   16    HD2  ARG   2           HD2      ARG   2   4.643  -4.539  -4.333
   17    HD3  ARG   2           HD3      ARG   2   5.315  -3.899  -5.853
   18    HE   ARG   2           HE       ARG   2   6.156  -6.607  -5.410
   19   HH11  ARG   2          HH11      ARG   2   3.306  -4.753  -6.443
   20   HH12  ARG   2          HH12      ARG   2   2.626  -6.043  -7.363
   21   HH21  ARG   2          HH21      ARG   2   5.252  -8.322  -6.642
   22   HH22  ARG   2          HH22      ARG   2   3.762  -8.114  -7.478
   23    H    LEU   3           H        LEU   3   6.864  -2.389  -0.136
   24    HA   LEU   3           HA       LEU   3   7.198   0.466   0.059
   25    HB2  LEU   3           HB2      LEU   3   8.357  -1.858   1.608
   26    HB3  LEU   3           HB3      LEU   3   8.920  -0.202   1.846
   27    HG   LEU   3           HG       LEU   3   7.197  -1.103   3.483
   28   HD11  LEU   3          HD11      LEU   3   6.714   1.554   2.082
   29   HD12  LEU   3          HD12      LEU   3   6.235   1.114   3.741
   30   HD13  LEU   3          HD13      LEU   3   7.936   1.214   3.319
   31   HD21  LEU   3          HD23      LEU   3   4.843  -0.865   2.945
   32   HD22  LEU   3          HD21      LEU   3   5.220  -0.469   1.260
   33   HD23  LEU   3          HD22      LEU   3   5.578  -2.075   1.889
   34    H    SER   4           H        SER   4   9.347  -2.194  -1.024
   35    HA   SER   4           HA       SER   4  11.752  -0.901  -1.006
   36    HB2  SER   4           HB2      SER   4  11.040  -2.711  -3.312
   37    HB3  SER   4           HB3      SER   4  12.486  -2.717  -2.282
   38    HG   SER   4           HG       SER   4  11.026  -4.479  -1.922
   39    H    ASP   5           H        ASP   5   9.039  -0.036  -3.054
   40    HA   ASP   5           HA       ASP   5  10.504   1.023  -5.272
   41    HB2  ASP   5           HB2      ASP   5   8.094   0.458  -5.320
   42    HB3  ASP   5           HB3      ASP   5   7.772   1.750  -4.159
   43    H    TYR   6           H        TYR   6   9.977   2.189  -1.999
   44    HA   TYR   6           HA       TYR   6  10.386   4.998  -2.816
   45    HB2  TYR   6           HB2      TYR   6   9.583   3.866  -0.132
   46    HB3  TYR   6           HB3      TYR   6   9.552   5.560  -0.600
   47    HD1  TYR   6           HD1      TYR   6   7.782   6.519  -1.911
   48    HD2  TYR   6           HD2      TYR   6   7.765   2.359  -0.776
   49    HE1  TYR   6           HE1      TYR   6   5.450   6.317  -2.719
   50    HE2  TYR   6           HE2      TYR   6   5.432   2.144  -1.575
   51    HH   TYR   6           HH       TYR   6   3.629   4.891  -3.034
   52    H    PHE   7           H        PHE   7  12.585   2.572  -1.765
   53    HA   PHE   7           HA       PHE   7  14.097   4.563  -0.098
   54    HB2  PHE   7           HB2      PHE   7  14.037   1.551   0.157
   55    HB3  PHE   7           HB3      PHE   7  15.111   2.631   1.034
   56    HD1  PHE   7           HD1      PHE   7  11.497   1.921   0.424
   57    HD2  PHE   7           HD2      PHE   7  14.396   3.445   3.238
   58    HE1  PHE   7           HE1      PHE   7   9.689   2.373   2.039
   59    HE2  PHE   7           HE2      PHE   7  12.549   4.031   4.771
   60    HZ   PHE   7           HZ       PHE   7  10.229   3.435   4.227
   61    HA   PRO   8           HA       PRO   8  16.287   4.403  -4.113
   62    HB2  PRO   8           HB2      PRO   8  17.903   6.439  -2.564
   63    HB3  PRO   8           HB3      PRO   8  17.480   6.415  -4.300
   64    HG2  PRO   8           HG2      PRO   8  16.042   7.866  -2.476
   65    HG3  PRO   8           HG3      PRO   8  15.244   7.017  -3.839
   66    HD2  PRO   8           HD2      PRO   8  15.232   6.296  -0.963
   67    HD3  PRO   8           HD3      PRO   8  14.079   5.938  -2.280
   68    H    GLU   9           H        GLU   9  18.624   4.884  -1.454
   69    HA   GLU   9           HA       GLU   9  19.938   2.338  -1.850
   70    HB2  GLU   9           HB2      GLU   9  20.621   3.448  -3.949
   71    HB3  GLU   9           HB3      GLU   9  21.156   4.864  -3.052
   72    HG2  GLU   9           HG2      GLU   9  22.993   3.604  -2.056
   73    HG3  GLU   9           HG3      GLU   9  22.359   2.084  -2.698
   74    H    SER  10           H        SER  10  21.430   5.477  -1.130
   75    HA   SER  10           HA       SER  10  22.521   4.672   1.349
   76    HB2  SER  10           HB2      SER  10  21.908   7.553   0.666
   77    HB3  SER  10           HB3      SER  10  23.372   6.879   1.390
   78    HG   SER  10           HG       SER  10  23.953   6.088  -0.645
   79    H    SER  11           H        SER  11  19.415   4.699   0.830
   80    HA   SER  11           HA       SER  11  18.255   6.703   2.517
   81    HB2  SER  11           HB2      SER  11  16.996   4.241   1.275
   82    HB3  SER  11           HB3      SER  11  16.222   5.796   1.635
   83    HG   SER  11           HG       SER  11  17.443   6.746   0.018
   84    H    ILE  12           H        ILE  12  19.843   3.878   3.528
   85    HA   ILE  12           HA       ILE  12  17.959   3.438   5.773
   86    HB   ILE  12           HB       ILE  12  19.372   1.445   3.983
   87   HG12  ILE  12          HG12      ILE  12  16.479   2.372   4.322
   88   HG13  ILE  12          HG13      ILE  12  17.456   2.385   2.853
   89   HG21  ILE  12          HG21      ILE  12  19.353   0.798   6.373
   90   HG22  ILE  12          HG22      ILE  12  17.599   1.068   6.433
   91   HG23  ILE  12          HG23      ILE  12  18.299  -0.238   5.435
   92   HD11  ILE  12          HD13      ILE  12  16.336  -0.021   4.241
   93   HD12  ILE  12          HD11      ILE  12  15.825   0.685   2.691
   94   HD13  ILE  12          HD12      ILE  12  17.432  -0.051   2.812
   95    H    SER  13           H        SER  13  19.089   3.499   7.760
   96    HA   SER  13           HA       SER  13  21.979   2.935   7.866
   97    HB2  SER  13           HB2      SER  13  20.785   5.668   8.530
   98    HB3  SER  13           HB3      SER  13  22.422   5.148   8.967
   99    HG   SER  13           HG       SER  13  21.849   4.729   6.333
  100    H    VAL  14           H        VAL  14  22.727   2.557   9.920
  101    HA   VAL  14           HA       VAL  14  20.795   2.630  12.190
  102    HB   VAL  14           HB       VAL  14  22.987   0.590  11.607
  103   HG11  VAL  14          HG11      VAL  14  22.214  -0.542  13.697
  104   HG12  VAL  14          HG12      VAL  14  22.919   1.037  14.033
  105   HG13  VAL  14          HG13      VAL  14  21.152   0.841  14.044
  106   HG21  VAL  14          HG23      VAL  14  19.972   0.250  11.859
  107   HG22  VAL  14          HG21      VAL  14  20.907   0.141  10.351
  108   HG23  VAL  14          HG22      VAL  14  21.141  -1.058  11.627
  109    H    ILE  15           H        ILE  15  21.630   3.578  14.036
  110    HA   ILE  15           HA       ILE  15  24.300   4.870  13.940
  111    HB   ILE  15           HB       ILE  15  21.634   6.191  14.601
  112   HG12  ILE  15          HG12      ILE  15  23.245   6.428  12.032
  113   HG13  ILE  15          HG13      ILE  15  21.570   5.886  12.216
  114   HG21  ILE  15          HG21      ILE  15  22.814   8.235  14.826
  115   HG22  ILE  15          HG22      ILE  15  23.748   7.071  15.710
  116   HG23  ILE  15          HG23      ILE  15  24.305   7.554  14.109
  117   HD11  ILE  15          HD13      ILE  15  21.024   8.209  13.115
  118   HD12  ILE  15          HD11      ILE  15  22.640   8.710  12.602
  119   HD13  ILE  15          HD12      ILE  15  21.478   8.131  11.393
  120    H    HIS  16           H        HIS  16  25.149   5.151  16.111
  121    HA   HIS  16           HA       HIS  16  23.964   3.593  18.244
  122    HB2  HIS  16           HB2      HIS  16  26.399   4.040  17.998
  123    HB3  HIS  16           HB3      HIS  16  26.117   5.752  18.311
  124    HD1  HIS  16           HD1      HIS  16  25.465   6.390  20.891
  125    HD2  HIS  16           HD2      HIS  16  26.429   2.371  20.078
  126    HE1  HIS  16           HE1      HIS  16  25.980   5.297  23.145
  127    H    SER  17           H        SER  17  24.062   7.115  17.430
  128    HA   SER  17           HA       SER  17  21.602   7.744  18.689
  129    HB2  SER  17           HB2      SER  17  22.943   9.447  20.282
  130    HB3  SER  17           HB3      SER  17  22.389   7.866  20.808
  131    HG   SER  17           HG       SER  17  25.012   8.586  20.029
  132    H    ALA  18           H        ALA  18  21.085   9.984  18.080
  133    HA   ALA  18           HA       ALA  18  22.770  10.965  15.855
  134    HB1  ALA  18           HB3      ALA  18  20.348  10.967  15.492
  135    HB2  ALA  18           HB1      ALA  18  20.112  11.952  16.970
  136    HB3  ALA  18           HB2      ALA  18  20.951  12.621  15.559
  137    H    LYS  19           H        LYS  19  23.493  13.184  15.895
  138    HA   LYS  19           HA       LYS  19  24.908  13.928  18.198
  139    HB2  LYS  19           HB2      LYS  19  25.199  14.520  15.734
  140    HB3  LYS  19           HB3      LYS  19  24.105  15.864  16.043
  141    HG2  LYS  19           HG2      LYS  19  25.580  16.816  17.738
  142    HG3  LYS  19           HG3      LYS  19  26.536  15.326  17.812
  143    HD2  LYS  19           HD2      LYS  19  27.856  16.787  16.558
  144    HD3  LYS  19           HD3      LYS  19  27.134  15.644  15.420
  145    HE2  LYS  19           HE2      LYS  19  25.255  17.618  15.306
  146    HE3  LYS  19           HE3      LYS  19  26.631  18.604  15.811
  147    HZ1  LYS  19           HZ3      LYS  19  27.809  17.646  13.827
  148    HZ2  LYS  19           HZ1      LYS  19  26.378  16.934  13.385
  149    HZ3  LYS  19           HZ2      LYS  19  26.512  18.564  13.440
  150    H    ASP  20           H        ASP  20  21.672  14.845  17.099
  151    HA   ASP  20           HA       ASP  20  20.712  15.443  19.690
  152    HB2  ASP  20           HB2      ASP  20  21.813  17.717  19.000
  153    HB3  ASP  20           HB3      ASP  20  20.621  17.715  17.677
  154    H    TRP  21           H        TRP  21  18.277  16.370  19.182
  155    HA   TRP  21           HA       TRP  21  17.066  14.611  17.264
  156    HB2  TRP  21           HB2      TRP  21  15.002  15.587  17.861
  157    HB3  TRP  21           HB3      TRP  21  15.952  15.428  19.329
  158    HD1  TRP  21           HD1      TRP  21  16.687  17.733  20.513
  159    HE1  TRP  21           HE1      TRP  21  16.049  20.186  20.181
  160    HE3  TRP  21           HE3      TRP  21  14.229  17.268  16.082
  161    HZ2  TRP  21           HZ2      TRP  21  14.718  21.792  18.117
  162    HZ3  TRP  21           HZ3      TRP  21  13.378  19.244  14.905
  163    HH2  TRP  21           HH2      TRP  21  13.630  21.520  15.884
  164    H    GLN  22           H        GLN  22  18.068  18.030  17.117
  165    HA   GLN  22           HA       GLN  22  17.123  18.828  14.530
  166    HB2  GLN  22           HB2      GLN  22  19.739  19.404  15.983
  167    HB3  GLN  22           HB3      GLN  22  19.146  20.256  14.553
  168    HG2  GLN  22           HG2      GLN  22  17.161  21.030  15.777
  169    HG3  GLN  22           HG3      GLN  22  17.638  20.110  17.204
  170   HE21  GLN  22          HE22      GLN  22  19.443  20.794  18.490
  171   HE22  GLN  22          HE21      GLN  22  20.079  22.429  18.346
  172    H    GLU  23           H        GLU  23  20.059  16.901  15.519
  173    HA   GLU  23           HA       GLU  23  20.908  16.508  12.787
  174    HB2  GLU  23           HB2      GLU  23  22.302  16.367  14.968
  175    HB3  GLU  23           HB3      GLU  23  21.571  14.768  15.169
  176    HG2  GLU  23           HG2      GLU  23  23.533  14.199  14.099
  177    HG3  GLU  23           HG3      GLU  23  22.466  14.318  12.728
  178    H    ALA  24           H        ALA  24  18.860  14.722  15.079
  179    HA   ALA  24           HA       ALA  24  18.755  12.298  13.607
  180    HB1  ALA  24           HB3      ALA  24  16.983  11.702  15.107
  181    HB2  ALA  24           HB1      ALA  24  18.148  12.700  16.008
  182    HB3  ALA  24           HB2      ALA  24  16.618  13.405  15.459
  183    H    ILE  25           H        ILE  25  16.766  15.292  13.372
  184    HA   ILE  25           HA       ILE  25  15.016  14.256  11.322
  185    HB   ILE  25           HB       ILE  25  15.939  17.115  11.677
  186   HG12  ILE  25          HG12      ILE  25  14.427  15.643  13.577
  187   HG13  ILE  25          HG13      ILE  25  14.867  17.340  13.564
  188   HG21  ILE  25          HG21      ILE  25  14.881  16.624   9.496
  189   HG22  ILE  25          HG22      ILE  25  13.460  15.974  10.310
  190   HG23  ILE  25          HG23      ILE  25  13.879  17.700  10.434
  191   HD11  ILE  25          HD13      ILE  25  12.357  16.122  12.384
  192   HD12  ILE  25          HD11      ILE  25  12.473  17.042  13.895
  193   HD13  ILE  25          HD12      ILE  25  12.749  17.865  12.351
  194    H    ASP  26           H        ASP  26  18.186  16.041  11.236
  195    HA   ASP  26           HA       ASP  26  18.376  16.148   8.412
  196    HB2  ASP  26           HB2      ASP  26  19.873  17.432   9.834
  197    HB3  ASP  26           HB3      ASP  26  20.610  15.958  10.461
  198    H    PHE  27           H        PHE  27  19.444  13.565  10.681
  199    HA   PHE  27           HA       PHE  27  20.367  11.788   8.660
  200    HB2  PHE  27           HB2      PHE  27  19.580  11.523  11.566
  201    HB3  PHE  27           HB3      PHE  27  19.775  10.080  10.595
  202    HD1  PHE  27           HD1      PHE  27  21.933  10.017   9.052
  203    HD2  PHE  27           HD2      PHE  27  21.655  12.220  12.787
  204    HE1  PHE  27           HE1      PHE  27  24.390   9.916   9.317
  205    HE2  PHE  27           HE2      PHE  27  24.088  12.076  13.023
  206    HZ   PHE  27           HZ       PHE  27  25.474  10.942  11.307
  207    H    SER  28           H        SER  28  17.038  12.426   9.892
  208    HA   SER  28           HA       SER  28  15.860  10.151   8.560
  209    HB2  SER  28           HB2      SER  28  14.506  12.797   9.335
  210    HB3  SER  28           HB3      SER  28  13.708  11.287   8.962
  211    HG   SER  28           HG       SER  28  15.544  11.707  11.109
  212    H    MET  29           H        MET  29  17.098  13.227   7.370
  213    HA   MET  29           HA       MET  29  15.506  12.907   4.864
  214    HB2  MET  29           HB2      MET  29  16.753  15.356   6.116
  215    HB3  MET  29           HB3      MET  29  15.621  15.293   4.756
  216    HG2  MET  29           HG2      MET  29  14.654  14.317   7.425
  217    HG3  MET  29           HG3      MET  29  14.881  16.034   7.155
  218    HE1  MET  29           HE3      MET  29  13.428  13.004   4.996
  219    HE2  MET  29           HE1      MET  29  12.817  13.000   6.674
  220    HE3  MET  29           HE2      MET  29  11.704  13.353   5.330
  221    H    VAL  30           H        VAL  30  18.899  13.289   5.958
  222    HA   VAL  30           HA       VAL  30  19.814  14.648   3.739
  223    HB   VAL  30           HB       VAL  30  21.103  14.355   5.780
  224   HG11  VAL  30          HG11      VAL  30  20.680  11.930   6.223
  225   HG12  VAL  30          HG12      VAL  30  21.736  11.515   4.855
  226   HG13  VAL  30          HG13      VAL  30  22.396  12.349   6.274
  227   HG21  VAL  30          HG23      VAL  30  22.629  13.354   3.336
  228   HG22  VAL  30          HG21      VAL  30  22.216  15.042   3.674
  229   HG23  VAL  30          HG22      VAL  30  23.312  14.169   4.761
  230    H    SER  31           H        SER  31  19.392  11.077   4.008
  231    HA   SER  31           HA       SER  31  20.681  10.515   1.573
  232    HB2  SER  31           HB2      SER  31  18.412   8.989   2.893
  233    HB3  SER  31           HB3      SER  31  19.622   8.351   1.759
  234    HG   SER  31           HG       SER  31  20.572   7.888   3.587
  235    H    LEU  32           H        LEU  32  17.566  11.984   2.128
  236    HA   LEU  32           HA       LEU  32  16.661  11.515  -0.656
  237    HB2  LEU  32           HB2      LEU  32  15.471  12.995   1.740
  238    HB3  LEU  32           HB3      LEU  32  14.753  13.066   0.155
  239    HG   LEU  32           HG       LEU  32  15.241  10.471   1.657
  240   HD11  LEU  32          HD11      LEU  32  12.827  10.489   2.164
  241   HD12  LEU  32          HD12      LEU  32  13.662  11.864   2.902
  242   HD13  LEU  32          HD13      LEU  32  12.683  12.103   1.439
  243   HD21  LEU  32          HD23      LEU  32  13.734   9.461   0.062
  244   HD22  LEU  32          HD21      LEU  32  13.423  11.017  -0.729
  245   HD23  LEU  32          HD22      LEU  32  15.014  10.223  -0.842
  246    H    LEU  33           H        LEU  33  17.866  14.108   1.522
  247    HA   LEU  33           HA       LEU  33  17.673  16.245  -0.216
  248    HB2  LEU  33           HB2      LEU  33  18.288  16.311   2.216
  249    HB3  LEU  33           HB3      LEU  33  19.892  15.723   1.792
  250    HG   LEU  33           HG       LEU  33  20.323  17.783   0.485
  251   HD11  LEU  33          HD11      LEU  33  18.802  19.688   0.600
  252   HD12  LEU  33          HD12      LEU  33  18.029  18.354  -0.212
  253   HD13  LEU  33          HD13      LEU  33  17.600  18.715   1.478
  254   HD21  LEU  33          HD23      LEU  33  20.558  19.265   2.400
  255   HD22  LEU  33          HD21      LEU  33  19.411  18.281   3.333
  256   HD23  LEU  33          HD22      LEU  33  20.971  17.608   2.835
  257    H    ASP  34           H        ASP  34  20.293  13.891   0.189
  258    HA   ASP  34           HA       ASP  34  22.221  15.108  -1.432
  259    HB2  ASP  34           HB2      ASP  34  22.809  13.508   0.295
  260    HB3  ASP  34           HB3      ASP  34  21.776  12.270  -0.415
  261    H    LYS  35           H        LYS  35  19.569  13.083  -2.436
  262    HA   LYS  35           HA       LYS  35  20.664  13.319  -5.205
  263    HB2  LYS  35           HB2      LYS  35  18.612  11.247  -4.477
  264    HB3  LYS  35           HB3      LYS  35  19.532  11.395  -5.957
  265    HG2  LYS  35           HG2      LYS  35  20.481   9.553  -4.949
  266    HG3  LYS  35           HG3      LYS  35  21.624  10.838  -4.513
  267    HD2  LYS  35           HD2      LYS  35  20.721  10.955  -2.271
  268    HD3  LYS  35           HD3      LYS  35  19.290  10.038  -2.736
  269    HE2  LYS  35           HE2      LYS  35  20.684   8.701  -1.368
  270    HE3  LYS  35           HE3      LYS  35  20.610   8.006  -2.988
  271    HZ1  LYS  35           HZ3      LYS  35  22.816   8.753  -3.413
  272    HZ2  LYS  35           HZ1      LYS  35  22.881   8.114  -1.905
  273    HZ3  LYS  35           HZ2      LYS  35  22.858   9.753  -2.120
  274    H    ASN  36           H        ASN  36  19.205  15.222  -3.545
  275    HA   ASN  36           HA       ASN  36  17.702  16.840  -3.931
  276    HB2  ASN  36           HB2      ASN  36  19.120  16.753  -6.075
  277    HB3  ASN  36           HB3      ASN  36  17.753  15.953  -6.851
  278   HD21  ASN  36          HD21      ASN  36  18.415  18.730  -4.741
  279   HD22  ASN  36          HD22      ASN  36  17.379  19.874  -5.582
  280    H    TYR  37           H        TYR  37  16.510  14.172  -3.234
  281    HA   TYR  37           HA       TYR  37  13.887  14.125  -4.517
  282    HB2  TYR  37           HB2      TYR  37  15.009  12.918  -1.973
  283    HB3  TYR  37           HB3      TYR  37  13.317  12.802  -2.391
  284    HD1  TYR  37           HD1      TYR  37  16.741  11.522  -3.212
  285    HD2  TYR  37           HD2      TYR  37  12.510  11.314  -4.073
  286    HE1  TYR  37           HE1      TYR  37  17.127   9.598  -4.707
  287    HE2  TYR  37           HE2      TYR  37  12.912   9.406  -5.594
  288    HH   TYR  37           HH       TYR  37  16.201   8.125  -6.257
  289    H    ILE  38           H        ILE  38  15.438  16.081  -2.117
  290    HA   ILE  38           HA       ILE  38  13.010  17.684  -1.716
  291    HB   ILE  38           HB       ILE  38  13.482  17.842   0.724
  292   HG12  ILE  38          HG12      ILE  38  15.416  15.539   0.248
  293   HG13  ILE  38          HG13      ILE  38  15.878  17.208   0.594
  294   HG21  ILE  38          HG21      ILE  38  12.498  15.714   1.422
  295   HG22  ILE  38          HG22      ILE  38  11.739  16.281  -0.049
  296   HG23  ILE  38          HG23      ILE  38  12.937  14.968  -0.116
  297   HD11  ILE  38          HD13      ILE  38  14.470  15.326   2.499
  298   HD12  ILE  38          HD11      ILE  38  16.145  15.892   2.523
  299   HD13  ILE  38          HD12      ILE  38  14.825  17.052   2.813
  300    H    SER  39           H        SER  39  13.853  19.695  -0.340
  301    HA   SER  39           HA       SER  39  16.615  20.483  -1.112
  302    HB2  SER  39           HB2      SER  39  15.646  22.843  -1.231
  303    HB3  SER  39           HB3      SER  39  15.267  21.754  -2.568
  304    HG   SER  39           HG       SER  39  13.239  21.341  -1.574
  305    H    GLU  40           H        GLU  40  17.502  22.116   0.429
  306    HA   GLU  40           HA       GLU  40  17.529  21.004   2.952
  307    HB2  GLU  40           HB2      GLU  40  18.342  23.862   2.306
  308    HB3  GLU  40           HB3      GLU  40  18.883  22.868   3.655
  309    HG2  GLU  40           HG2      GLU  40  20.680  22.591   2.314
  310    HG3  GLU  40           HG3      GLU  40  19.748  21.226   1.741
  311    H    ASN  41           H        ASN  41  15.411  23.657   1.905
  312    HA   ASN  41           HA       ASN  41  14.588  24.556   4.486
  313    HB2  ASN  41           HB2      ASN  41  14.036  25.746   2.374
  314    HB3  ASN  41           HB3      ASN  41  12.987  24.410   1.882
  315   HD21  ASN  41          HD22      ASN  41  10.867  24.207   2.868
  316   HD22  ASN  41          HD21      ASN  41  10.252  25.453   3.932
  317    H    TYR  42           H        TYR  42  13.639  21.689   2.608
  318    HA   TYR  42           HA       TYR  42  11.172  21.130   3.884
  319    HB2  TYR  42           HB2      TYR  42  12.075  20.146   1.756
  320    HB3  TYR  42           HB3      TYR  42  13.229  19.222   2.710
  321    HD1  TYR  42           HD2      TYR  42   9.614  19.677   1.977
  322    HD2  TYR  42           HD1      TYR  42  12.622  17.189   3.797
  323    HE1  TYR  42           HE2      TYR  42   7.990  17.787   2.088
  324    HE2  TYR  42           HE1      TYR  42  11.020  15.304   3.897
  325    HH   TYR  42           HH       TYR  42   8.936  14.533   3.272
  326    H    ILE  43           H        ILE  43  14.535  20.189   4.697
  327    HA   ILE  43           HA       ILE  43  13.943  18.564   6.953
  328    HB   ILE  43           HB       ILE  43  16.380  20.277   6.247
  329   HG12  ILE  43          HG12      ILE  43  17.101  17.607   6.030
  330   HG13  ILE  43          HG13      ILE  43  15.423  17.565   5.480
  331   HG21  ILE  43          HG21      ILE  43  16.396  19.857   8.651
  332   HG22  ILE  43          HG22      ILE  43  16.154  18.110   8.370
  333   HG23  ILE  43          HG23      ILE  43  17.651  18.914   7.845
  334   HD11  ILE  43          HD13      ILE  43  17.036  17.851   3.655
  335   HD12  ILE  43          HD11      ILE  43  15.947  19.249   3.763
  336   HD13  ILE  43          HD12      ILE  43  17.614  19.355   4.393
  337    H    GLN  44           H        GLN  44  14.657  22.122   6.755
  338    HA   GLN  44           HA       GLN  44  14.312  22.404   9.588
  339    HB2  GLN  44           HB2      GLN  44  15.020  24.161   7.338
  340    HB3  GLN  44           HB3      GLN  44  13.960  24.979   8.486
  341    HG2  GLN  44           HG2      GLN  44  16.411  23.391   9.290
  342    HG3  GLN  44           HG3      GLN  44  16.437  25.132   9.002
  343   HE21  GLN  44          HE22      GLN  44  16.533  23.085  11.651
  344   HE22  GLN  44          HE21      GLN  44  15.493  23.941  12.736
  345    H    ALA  45           H        ALA  45  12.026  22.607   6.957
  346    HA   ALA  45           HA       ALA  45   9.867  23.819   8.301
  347    HB1  ALA  45           HB3      ALA  45   8.374  22.564   6.831
  348    HB2  ALA  45           HB1      ALA  45   9.798  23.098   5.911
  349    HB3  ALA  45           HB2      ALA  45   9.643  21.402   6.445
  350    H    ILE  46           H        ILE  46  11.037  20.430   8.551
  351    HA   ILE  46           HA       ILE  46   8.890  19.566  10.265
  352    HB   ILE  46           HB       ILE  46  11.679  18.390   9.903
  353   HG12  ILE  46          HG12      ILE  46   9.197  17.487   8.406
  354   HG13  ILE  46          HG13      ILE  46  10.293  18.664   7.719
  355   HG21  ILE  46          HG21      ILE  46  10.667  16.299  10.660
  356   HG22  ILE  46          HG22      ILE  46  10.356  17.547  11.869
  357   HG23  ILE  46          HG23      ILE  46   9.066  17.053  10.753
  358   HD11  ILE  46          HD13      ILE  46  10.829  16.482   6.851
  359   HD12  ILE  46          HD11      ILE  46  12.170  17.113   7.826
  360   HD13  ILE  46          HD12      ILE  46  11.119  15.843   8.478
  361    H    LYS  47           H        LYS  47  12.282  20.694  10.743
  362    HA   LYS  47           HA       LYS  47  12.245  20.259  13.535
  363    HB2  LYS  47           HB2      LYS  47  13.846  22.193  11.821
  364    HB3  LYS  47           HB3      LYS  47  14.236  21.853  13.511
  365    HG2  LYS  47           HG2      LYS  47  14.778  19.552  13.012
  366    HG3  LYS  47           HG3      LYS  47  14.196  19.706  11.344
  367    HD2  LYS  47           HD2      LYS  47  15.933  21.308  10.813
  368    HD3  LYS  47           HD3      LYS  47  16.495  21.302  12.518
  369    HE2  LYS  47           HE2      LYS  47  16.965  18.883  12.286
  370    HE3  LYS  47           HE3      LYS  47  16.575  18.958  10.576
  371    HZ1  LYS  47           HZ3      LYS  47  18.761  20.536  11.853
  372    HZ2  LYS  47           HZ1      LYS  47  18.980  19.129  11.079
  373    HZ3  LYS  47           HZ2      LYS  47  18.467  20.445  10.248
  374    H    ASP  48           H        ASP  48  11.446  23.184  11.629
  375    HA   ASP  48           HA       ASP  48  11.110  24.985  13.776
  376    HB2  ASP  48           HB2      ASP  48  11.261  25.699  11.447
  377    HB3  ASP  48           HB3      ASP  48   9.770  24.839  11.047
  378    H    SER  49           H        SER  49   8.806  22.721  12.209
  379    HA   SER  49           HA       SER  49   6.538  23.363  13.856
  380    HB2  SER  49           HB2      SER  49   7.286  20.782  12.441
  381    HB3  SER  49           HB3      SER  49   5.664  21.250  12.986
  382    HG   SER  49           HG       SER  49   7.242  22.255  10.863
  383    H    THR  50           H        THR  50   9.194  20.923  14.190
  384    HA   THR  50           HA       THR  50   8.292  19.805  16.598
  385    HB   THR  50           HB       THR  50  11.160  20.112  15.676
  386    HG1  THR  50           HG1      THR  50   9.889  19.133  14.073
  387   HG21  THR  50          HG23      THR  50   9.823  18.063  17.495
  388   HG22  THR  50          HG21      THR  50  11.489  17.969  16.888
  389   HG23  THR  50          HG22      THR  50  11.026  19.279  17.982
  390    H    ILE  51           H        ILE  51  10.347  22.747  16.108
  391    HA   ILE  51           HA       ILE  51  10.662  23.263  18.912
  392    HB   ILE  51           HB       ILE  51  10.859  24.988  16.416
  393   HG12  ILE  51          HG12      ILE  51  13.067  24.051  18.301
  394   HG13  ILE  51          HG13      ILE  51  12.514  23.067  16.962
  395   HG21  ILE  51          HG21      ILE  51  10.327  26.538  18.248
  396   HG22  ILE  51          HG22      ILE  51  11.585  25.802  19.267
  397   HG23  ILE  51          HG23      ILE  51  12.016  26.708  17.801
  398   HD11  ILE  51          HD13      ILE  51  13.094  24.874  15.357
  399   HD12  ILE  51          HD11      ILE  51  13.771  25.821  16.705
  400   HD13  ILE  51          HD12      ILE  51  14.484  24.260  16.271
  401    H    ASN  52           H        ASN  52   8.264  24.466  16.504
  402    HA   ASN  52           HA       ASN  52   7.067  26.321  18.344
  403    HB2  ASN  52           HB2      ASN  52   6.335  25.248  15.601
  404    HB3  ASN  52           HB3      ASN  52   5.161  26.181  16.503
  405   HD21  ASN  52          HD22      ASN  52   8.397  26.366  15.044
  406   HD22  ASN  52          HD21      ASN  52   8.466  28.111  14.987
  407    H    ASN  53           H        ASN  53   6.278  22.981  17.481
  408    HA   ASN  53           HA       ASN  53   3.819  23.101  19.201
  409    HB2  ASN  53           HB2      ASN  53   3.497  23.176  16.695
  410    HB3  ASN  53           HB3      ASN  53   4.227  21.582  16.580
  411   HD21  ASN  53          HD22      ASN  53   1.376  22.904  16.291
  412   HD22  ASN  53          HD21      ASN  53   0.336  21.730  17.062
  413    H    GLY  54           H        GLY  54   6.142  20.854  17.609
  414    HA2  GLY  54           HA2      GLY  54   7.390  19.518  19.510
  415    HA3  GLY  54           HA3      GLY  54   5.768  18.865  19.776
  416    HA   PRO  55           HA       PRO  55   7.876  16.378  16.306
  417    HB2  PRO  55           HB2      PRO  55   7.502  13.936  17.631
  418    HB3  PRO  55           HB3      PRO  55   9.021  14.865  17.592
  419    HG2  PRO  55           HG2      PRO  55   6.884  14.819  19.716
  420    HG3  PRO  55           HG3      PRO  55   8.669  14.817  19.924
  421    HD2  PRO  55           HD2      PRO  55   7.190  17.053  20.251
  422    HD3  PRO  55           HD3      PRO  55   8.810  17.116  19.488
  423    H    TYR  56           H        TYR  56   6.355  16.139  14.799
  424    HA   TYR  56           HA       TYR  56   3.542  15.622  15.651
  425    HB2  TYR  56           HB2      TYR  56   2.803  17.225  14.099
  426    HB3  TYR  56           HB3      TYR  56   4.056  17.958  15.073
  427    HD1  TYR  56           HD1      TYR  56   6.525  17.944  14.007
  428    HD2  TYR  56           HD2      TYR  56   2.844  17.538  11.780
  429    HE1  TYR  56           HE1      TYR  56   7.700  18.597  11.947
  430    HE2  TYR  56           HE2      TYR  56   3.989  18.330   9.741
  431    HH   TYR  56           HH       TYR  56   5.997  19.028   8.806
  432    H    TYR  57           H        TYR  57   5.848  13.899  14.320
  433    HA   TYR  57           HA       TYR  57   3.912  12.307  12.771
  434    HB2  TYR  57           HB2      TYR  57   6.631  13.139  11.789
  435    HB3  TYR  57           HB3      TYR  57   5.937  11.566  11.396
  436    HD1  TYR  57           HD2      TYR  57   3.750  11.351  10.226
  437    HD2  TYR  57           HD1      TYR  57   5.792  15.132  10.616
  438    HE1  TYR  57           HE2      TYR  57   2.231  12.334   8.537
  439    HE2  TYR  57           HE1      TYR  57   4.326  16.101   8.878
  440    HH   TYR  57           HH       TYR  57   1.608  14.283   7.392
  441    H    ILE  58           H        ILE  58   3.577  10.967  14.466
  442    HA   ILE  58           HA       ILE  58   5.789   9.408  15.619
  443    HB   ILE  58           HB       ILE  58   3.766  11.030  17.226
  444   HG12  ILE  58          HG12      ILE  58   5.838  12.273  16.636
  445   HG13  ILE  58          HG13      ILE  58   5.612  12.051  18.361
  446   HG21  ILE  58          HG21      ILE  58   5.546   8.734  18.156
  447   HG22  ILE  58          HG22      ILE  58   4.781   9.906  19.255
  448   HG23  ILE  58          HG23      ILE  58   3.781   8.856  18.252
  449   HD11  ILE  58          HD13      ILE  58   7.480  10.346  16.663
  450   HD12  ILE  58          HD11      ILE  58   7.980  11.722  17.653
  451   HD13  ILE  58          HD12      ILE  58   7.305  10.285  18.428
  452    H    LEU  59           H        LEU  59   5.140   7.333  15.807
  453    HA   LEU  59           HA       LEU  59   2.328   6.715  14.980
  454    HB2  LEU  59           HB2      LEU  59   4.929   5.341  14.185
  455    HB3  LEU  59           HB3      LEU  59   3.320   4.776  13.801
  456    HG   LEU  59           HG       LEU  59   4.115   5.724  11.842
  457   HD11  LEU  59          HD11      LEU  59   2.343   7.909  12.975
  458   HD12  LEU  59          HD12      LEU  59   2.557   7.452  11.278
  459   HD13  LEU  59          HD13      LEU  59   1.774   6.328  12.397
  460   HD21  LEU  59          HD23      LEU  59   4.943   8.009  11.558
  461   HD22  LEU  59          HD21      LEU  59   4.926   8.286  13.271
  462   HD23  LEU  59          HD22      LEU  59   6.010   7.056  12.598
  463    H    ALA  60           H        ALA  60   5.010   5.915  17.122
  464    HA   ALA  60           HA       ALA  60   3.274   4.498  18.900
  465    HB1  ALA  60           HB3      ALA  60   5.562   2.958  17.558
  466    HB2  ALA  60           HB1      ALA  60   4.607   2.380  18.930
  467    HB3  ALA  60           HB2      ALA  60   3.831   2.613  17.359
  468    HA   PRO  61           HA       PRO  61   6.424   6.112  21.719
  469    HB2  PRO  61           HB2      PRO  61   6.616   3.307  22.844
  470    HB3  PRO  61           HB3      PRO  61   6.518   4.868  23.716
  471    HG2  PRO  61           HG2      PRO  61   4.315   3.319  23.459
  472    HG3  PRO  61           HG3      PRO  61   4.194   5.091  23.205
  473    HD2  PRO  61           HD2      PRO  61   4.387   2.902  21.128
  474    HD3  PRO  61           HD3      PRO  61   3.322   4.341  21.156
  475    H    GLY  62           H        GLY  62   8.392   6.579  20.881
  476    HA2  GLY  62           HA2      GLY  62  10.652   6.190  20.499
  477    HA3  GLY  62           HA3      GLY  62  10.373   4.447  20.417
  478    H    VAL  63           H        VAL  63   8.046   5.879  18.382
  479    HA   VAL  63           HA       VAL  63   9.796   5.420  16.007
  480    HB   VAL  63           HB       VAL  63   6.933   4.497  16.474
  481   HG11  VAL  63          HG11      VAL  63   7.219   3.215  14.377
  482   HG12  VAL  63          HG12      VAL  63   7.412   4.944  14.106
  483   HG13  VAL  63          HG13      VAL  63   8.850   3.904  14.181
  484   HG21  VAL  63          HG23      VAL  63   8.456   3.142  17.860
  485   HG22  VAL  63          HG21      VAL  63   7.838   2.204  16.515
  486   HG23  VAL  63          HG22      VAL  63   9.495   2.842  16.450
  487    H    ALA  64           H        ALA  64   9.882   7.146  14.750
  488    HA   ALA  64           HA       ALA  64   7.587   9.032  14.598
  489    HB1  ALA  64           HB3      ALA  64   9.212  10.845  14.337
  490    HB2  ALA  64           HB1      ALA  64   9.595   9.965  15.821
  491    HB3  ALA  64           HB2      ALA  64  10.557   9.686  14.353
  492    H    MET  65           H        MET  65   7.628  10.295  12.527
  493    HA   MET  65           HA       MET  65   8.999   8.915  10.320
  494    HB2  MET  65           HB2      MET  65   6.764   7.974  10.398
  495    HB3  MET  65           HB3      MET  65   6.069   9.586  10.140
  496    HG2  MET  65           HG2      MET  65   7.610   9.558   7.992
  497    HG3  MET  65           HG3      MET  65   7.676   7.824   8.281
  498    HE1  MET  65           HE3      MET  65   4.370   7.730   9.504
  499    HE2  MET  65           HE1      MET  65   3.727   7.006   8.021
  500    HE3  MET  65           HE2      MET  65   5.276   6.429   8.676
  501    HA   PRO  66           HA       PRO  66   9.051  13.574  10.769
  502    HB2  PRO  66           HB2      PRO  66  11.993  13.405  10.150
  503    HB3  PRO  66           HB3      PRO  66  11.166  14.279  11.473
  504    HG2  PRO  66           HG2      PRO  66  12.556  11.999  11.937
  505    HG3  PRO  66           HG3      PRO  66  11.035  12.360  12.813
  506    HD2  PRO  66           HD2      PRO  66  11.418  10.600  10.371
  507    HD3  PRO  66           HD3      PRO  66  10.535  10.243  11.882
  508    H    HIS  67           H        HIS  67   8.440  14.664   9.046
  509    HA   HIS  67           HA       HIS  67   9.465  14.724   6.398
  510    HB2  HIS  67           HB2      HIS  67   8.598  12.883   5.522
  511    HB3  HIS  67           HB3      HIS  67   7.933  12.385   7.024
  512    HD1  HIS  67           HD1      HIS  67   5.356  12.894   7.505
  513    HD2  HIS  67           HD2      HIS  67   6.779  13.717   3.598
  514    HE1  HIS  67           HE1      HIS  67   3.319  12.989   5.979
  515    H    ALA  68           H        ALA  68   7.785  16.003   4.992
  516    HA   ALA  68           HA       ALA  68   6.053  17.763   6.652
  517    HB1  ALA  68           HB3      ALA  68   8.300  18.722   4.844
  518    HB2  ALA  68           HB1      ALA  68   7.089  19.739   5.648
  519    HB3  ALA  68           HB2      ALA  68   8.251  18.837   6.614
  520    H    ARG  69           H        ARG  69   4.908  19.328   5.090
  521    HA   ARG  69           HA       ARG  69   3.411  17.851   3.131
  522    HB2  ARG  69           HB2      ARG  69   3.762  20.802   3.806
  523    HB3  ARG  69           HB3      ARG  69   2.724  20.293   2.471
  524    HG2  ARG  69           HG2      ARG  69   1.376  18.910   4.037
  525    HG3  ARG  69           HG3      ARG  69   2.403  19.435   5.385
  526    HD2  ARG  69           HD2      ARG  69   1.744  21.811   4.925
  527    HD3  ARG  69           HD3      ARG  69   0.705  21.249   3.616
  528    HE   ARG  69           HE       ARG  69  -0.845  20.433   5.110
  529   HH11  ARG  69          HH11      ARG  69   1.998  21.546   6.931
  530   HH12  ARG  69          HH12      ARG  69   1.214  21.480   8.466
  531   HH21  ARG  69          HH21      ARG  69  -1.885  20.348   7.151
  532   HH22  ARG  69          HH22      ARG  69  -1.044  20.786   8.588
  533    HA   PRO  70           HA       PRO  70   6.034  17.818  -0.391
  534    HB2  PRO  70           HB2      PRO  70   4.374  18.750  -2.471
  535    HB3  PRO  70           HB3      PRO  70   4.427  17.092  -1.842
  536    HG2  PRO  70           HG2      PRO  70   2.465  19.259  -1.188
  537    HG3  PRO  70           HG3      PRO  70   2.174  17.508  -1.411
  538    HD2  PRO  70           HD2      PRO  70   2.313  18.646   1.051
  539    HD3  PRO  70           HD3      PRO  70   2.951  17.011   0.765
  540    H    GLU  71           H        GLU  71   3.957  20.740  -0.100
  541    HA   GLU  71           HA       GLU  71   5.442  22.535  -1.663
  542    HB2  GLU  71           HB2      GLU  71   3.621  23.126   0.712
  543    HB3  GLU  71           HB3      GLU  71   4.085  24.262  -0.561
  544    HG2  GLU  71           HG2      GLU  71   2.977  22.730  -2.241
  545    HG3  GLU  71           HG3      GLU  71   2.387  21.754  -0.888
  546    H    CYS  72           H        CYS  72   6.403  21.224   1.366
  547    HA   CYS  72           HA       CYS  72   7.759  23.637   2.355
  548    HB2  CYS  72           HB2      CYS  72   7.831  20.724   3.262
  549    HB3  CYS  72           HB3      CYS  72   8.671  22.062   4.059
  550    HG   CYS  72           HG       CYS  72   5.443  21.876   3.377
  551    H    GLY  73           H        GLY  73   8.398  21.491  -0.179
  552    HA2  GLY  73           HA2      GLY  73  10.431  22.319  -1.382
  553    HA3  GLY  73           HA3      GLY  73  11.356  21.940   0.073
  554    H    ALA  74           H        ALA  74   8.748  19.711  -0.861
  555    HA   ALA  74           HA       ALA  74  10.686  17.589  -1.411
  556    HB1  ALA  74           HB3      ALA  74   8.742  16.239  -1.929
  557    HB2  ALA  74           HB1      ALA  74   8.432  17.107  -0.408
  558    HB3  ALA  74           HB2      ALA  74   7.697  17.664  -1.941
  559    H    LEU  75           H        LEU  75  11.159  16.743  -3.417
  560    HA   LEU  75           HA       LEU  75  10.397  18.368  -5.811
  561    HB2  LEU  75           HB2      LEU  75  13.132  17.314  -5.029
  562    HB3  LEU  75           HB3      LEU  75  12.761  18.119  -6.548
  563    HG   LEU  75           HG       LEU  75  12.611  19.396  -3.782
  564   HD11  LEU  75          HD11      LEU  75  14.632  20.613  -4.467
  565   HD12  LEU  75          HD12      LEU  75  14.913  18.864  -4.501
  566   HD13  LEU  75          HD13      LEU  75  14.650  19.745  -6.017
  567   HD21  LEU  75          HD23      LEU  75  12.340  20.658  -6.556
  568   HD22  LEU  75          HD21      LEU  75  11.043  20.500  -5.356
  569   HD23  LEU  75          HD22      LEU  75  12.421  21.544  -5.017
  570    H    LYS  76           H        LYS  76  11.252  15.195  -4.449
  571    HA   LYS  76           HA       LYS  76  10.052  13.919  -6.778
  572    HB2  LYS  76           HB2      LYS  76  12.656  12.884  -5.670
  573    HB3  LYS  76           HB3      LYS  76  11.852  12.373  -7.138
  574    HG2  LYS  76           HG2      LYS  76  12.571  14.453  -8.256
  575    HG3  LYS  76           HG3      LYS  76  13.231  15.076  -6.730
  576    HD2  LYS  76           HD2      LYS  76  14.793  13.123  -6.626
  577    HD3  LYS  76           HD3      LYS  76  14.227  12.635  -8.236
  578    HE2  LYS  76           HE2      LYS  76  14.992  14.823  -9.149
  579    HE3  LYS  76           HE3      LYS  76  15.538  15.319  -7.540
  580    HZ1  LYS  76           HZ3      LYS  76  17.342  14.420  -8.917
  581    HZ2  LYS  76           HZ1      LYS  76  17.138  13.521  -7.560
  582    HZ3  LYS  76           HZ2      LYS  76  16.603  12.974  -9.016
  583    H    THR  77           H        THR  77   9.296  11.714  -6.187
  584    HA   THR  77           HA       THR  77   8.721  11.552  -3.394
  585    HB   THR  77           HB       THR  77   7.819  10.091  -5.892
  586    HG1  THR  77           HG1      THR  77   6.245  11.431  -5.965
  587   HG21  THR  77          HG23      THR  77   7.452   8.606  -4.016
  588   HG22  THR  77          HG21      THR  77   6.749   9.928  -3.055
  589   HG23  THR  77          HG22      THR  77   5.903   9.313  -4.505
  590    H    GLY  78           H        GLY  78   9.558  10.246  -1.868
  591    HA2  GLY  78           HA2      GLY  78  10.816   7.728  -2.325
  592    HA3  GLY  78           HA3      GLY  78  12.035   9.008  -2.216
  593    H    MET  79           H        MET  79  12.339   7.318  -0.261
  594    HA   MET  79           HA       MET  79  11.353   8.564   2.213
  595    HB2  MET  79           HB2      MET  79  11.115   5.625   1.422
  596    HB3  MET  79           HB3      MET  79  10.974   6.180   3.083
  597    HG2  MET  79           HG2      MET  79   9.001   7.429   2.639
  598    HG3  MET  79           HG3      MET  79   9.145   7.188   0.897
  599    HE1  MET  79           HE3      MET  79   6.966   6.409   0.462
  600    HE2  MET  79           HE1      MET  79   6.168   4.950   1.080
  601    HE3  MET  79           HE2      MET  79   6.306   6.395   2.108
  602    H    SER  80           H        SER  80  12.518   7.417   4.105
  603    HA   SER  80           HA       SER  80  14.958   6.019   3.532
  604    HB2  SER  80           HB2      SER  80  15.085   8.830   4.716
  605    HB3  SER  80           HB3      SER  80  16.406   7.651   4.847
  606    HG   SER  80           HG       SER  80  15.353   8.005   2.306
  607    H    LEU  81           H        LEU  81  16.005   5.400   5.711
  608    HA   LEU  81           HA       LEU  81  14.040   5.110   7.912
  609    HB2  LEU  81           HB2      LEU  81  13.696   3.285   6.361
  610    HB3  LEU  81           HB3      LEU  81  15.424   2.981   6.207
  611    HG   LEU  81           HG       LEU  81  15.573   1.963   8.298
  612   HD11  LEU  81          HD11      LEU  81  13.794   1.716   9.923
  613   HD12  LEU  81          HD12      LEU  81  13.980   3.441   9.640
  614   HD13  LEU  81          HD13      LEU  81  12.648   2.557   8.881
  615   HD21  LEU  81          HD23      LEU  81  14.053   0.065   7.849
  616   HD22  LEU  81          HD21      LEU  81  12.962   1.134   6.961
  617   HD23  LEU  81          HD22      LEU  81  14.560   0.795   6.294
  618    H    THR  82           H        THR  82  15.056   5.418   9.829
  619    HA   THR  82           HA       THR  82  17.989   4.992  10.056
  620    HB   THR  82           HB       THR  82  16.334   7.348  11.081
  621    HG1  THR  82           HG1      THR  82  16.738   7.461   8.848
  622   HG21  THR  82          HG23      THR  82  19.322   6.781  11.262
  623   HG22  THR  82          HG21      THR  82  18.539   8.329  11.681
  624   HG23  THR  82          HG22      THR  82  18.152   6.873  12.599
  625    H    LEU  83           H        LEU  83  18.621   4.239  12.145
  626    HA   LEU  83           HA       LEU  83  16.550   3.974  14.232
  627    HB2  LEU  83           HB2      LEU  83  16.732   1.853  12.887
  628    HB3  LEU  83           HB3      LEU  83  18.401   1.695  13.437
  629    HG   LEU  83           HG       LEU  83  15.934   1.776  15.235
  630   HD11  LEU  83          HD11      LEU  83  15.825  -0.219  13.898
  631   HD12  LEU  83          HD12      LEU  83  17.555  -0.565  14.194
  632   HD13  LEU  83          HD13      LEU  83  16.364  -0.664  15.505
  633   HD21  LEU  83          HD23      LEU  83  17.587   2.348  16.707
  634   HD22  LEU  83          HD21      LEU  83  17.595   0.614  16.874
  635   HD23  LEU  83          HD22      LEU  83  18.855   1.387  15.885
  636    H    LEU  84           H        LEU  84  17.418   4.521  16.193
  637    HA   LEU  84           HA       LEU  84  20.345   5.157  16.454
  638    HB2  LEU  84           HB2      LEU  84  17.814   6.445  17.491
  639    HB3  LEU  84           HB3      LEU  84  19.338   6.597  18.369
  640    HG   LEU  84           HG       LEU  84  20.380   7.813  16.601
  641   HD11  LEU  84          HD11      LEU  84  19.486   6.849  14.593
  642   HD12  LEU  84          HD12      LEU  84  17.837   7.340  15.022
  643   HD13  LEU  84          HD13      LEU  84  19.060   8.564  14.599
  644   HD21  LEU  84          HD23      LEU  84  19.007   9.002  18.245
  645   HD22  LEU  84          HD21      LEU  84  18.841   9.807  16.672
  646   HD23  LEU  84          HD22      LEU  84  17.549   8.763  17.260
  647    H    GLU  85           H        GLU  85  21.236   3.614  17.895
  648    HA   GLU  85           HA       GLU  85  19.670   1.724  19.260
  649    HB2  GLU  85           HB2      GLU  85  22.546   2.582  19.762
  650    HB3  GLU  85           HB3      GLU  85  21.777   1.186  20.516
  651    HG2  GLU  85           HG2      GLU  85  21.323   0.217  18.267
  652    HG3  GLU  85           HG3      GLU  85  22.177   1.563  17.520
  653    H    GLN  86           H        GLN  86  20.951   4.796  20.463
  654    HA   GLN  86           HA       GLN  86  19.759   4.322  23.151
  655    HB2  GLN  86           HB2      GLN  86  21.118   6.841  22.101
  656    HB3  GLN  86           HB3      GLN  86  20.730   6.454  23.763
  657    HG2  GLN  86           HG2      GLN  86  22.295   4.408  23.514
  658    HG3  GLN  86           HG3      GLN  86  22.882   5.180  22.039
  659   HE21  GLN  86          HE22      GLN  86  23.907   7.422  22.275
  660   HE22  GLN  86          HE21      GLN  86  24.566   7.863  23.831
  661    H    GLY  87           H        GLY  87  18.782   5.626  20.136
  662    HA2  GLY  87           HA2      GLY  87  17.094   6.981  19.452
  663    HA3  GLY  87           HA3      GLY  87  16.352   6.859  21.053
  664    H    VAL  88           H        VAL  88  15.996   9.316  20.201
  665    HA   VAL  88           HA       VAL  88  17.699  10.778  22.012
  666    HB   VAL  88           HB       VAL  88  18.781  10.851  19.616
  667   HG11  VAL  88          HG11      VAL  88  16.710  13.029  19.241
  668   HG12  VAL  88          HG12      VAL  88  18.114  12.684  18.220
  669   HG13  VAL  88          HG13      VAL  88  16.805  11.491  18.346
  670   HG21  VAL  88          HG23      VAL  88  18.471  13.391  21.215
  671   HG22  VAL  88          HG21      VAL  88  19.593  12.040  21.550
  672   HG23  VAL  88          HG22      VAL  88  19.758  12.976  20.061
  673    H    TYR  89           H        TYR  89  16.746  13.130  22.221
  674    HA   TYR  89           HA       TYR  89  13.838  12.596  22.558
  675    HB2  TYR  89           HB2      TYR  89  14.952  12.805  24.649
  676    HB3  TYR  89           HB3      TYR  89  15.784  14.271  24.138
  677    HD1  TYR  89           HD1      TYR  89  12.108  13.856  23.380
  678    HD2  TYR  89           HD2      TYR  89  15.075  15.511  26.082
  679    HE1  TYR  89           HE1      TYR  89  10.409  15.268  24.410
  680    HE2  TYR  89           HE2      TYR  89  13.344  16.968  27.078
  681    HH   TYR  89           HH       TYR  89  11.081  17.619  27.019
  682    H    PHE  90           H        PHE  90  12.674  13.492  21.092
  683    HA   PHE  90           HA       PHE  90  13.223  16.057  19.775
  684    HB2  PHE  90           HB2      PHE  90  11.134  13.874  19.713
  685    HB3  PHE  90           HB3      PHE  90  10.846  15.430  18.936
  686    HD1  PHE  90           HD1      PHE  90  13.745  12.927  18.953
  687    HD2  PHE  90           HD2      PHE  90  11.131  15.485  16.642
  688    HE1  PHE  90           HE1      PHE  90  14.864  12.214  16.883
  689    HE2  PHE  90           HE2      PHE  90  12.253  14.736  14.575
  690    HZ   PHE  90           HZ       PHE  90  14.146  13.136  14.684
  691    HA   PRO  91           HA       PRO  91  11.409  17.811  23.476
  692    HB2  PRO  91           HB2      PRO  91  11.050  20.447  22.700
  693    HB3  PRO  91           HB3      PRO  91  12.609  19.716  23.183
  694    HG2  PRO  91           HG2      PRO  91  11.526  20.115  20.383
  695    HG3  PRO  91           HG3      PRO  91  13.170  20.478  21.001
  696    HD2  PRO  91           HD2      PRO  91  12.654  18.196  19.639
  697    HD3  PRO  91           HD3      PRO  91  13.747  18.174  21.059
  698    H    GLY  92           H        GLY  92   9.419  17.192  24.034
  699    HA2  GLY  92           HA2      GLY  92   7.069  18.028  24.073
  700    HA3  GLY  92           HA3      GLY  92   7.072  17.897  22.314
  701    H    ASN  93           H        ASN  93   8.820  15.277  22.746
  702    HA   ASN  93           HA       ASN  93   6.706  13.473  23.846
  703    HB2  ASN  93           HB2      ASN  93   6.477  13.343  21.425
  704    HB3  ASN  93           HB3      ASN  93   8.223  13.082  21.242
  705   HD21  ASN  93          HD22      ASN  93   9.105  11.021  21.669
  706   HD22  ASN  93          HD21      ASN  93   8.088   9.630  21.930
  707    H    ASP  94           H        ASP  94   7.758  13.099  25.715
  708    HA   ASP  94           HA       ASP  94  10.495  13.270  26.151
  709    HB2  ASP  94           HB2      ASP  94   8.785  13.532  27.873
  710    HB3  ASP  94           HB3      ASP  94   8.352  11.826  27.737
  711    H    GLU  95           H        GLU  95   8.780  10.406  24.966
  712    HA   GLU  95           HA       GLU  95  10.663   8.462  25.855
  713    HB2  GLU  95           HB2      GLU  95   8.317   7.973  25.436
  714    HB3  GLU  95           HB3      GLU  95   8.403   8.706  23.840
  715    HG2  GLU  95           HG2      GLU  95   8.364   6.502  23.418
  716    HG3  GLU  95           HG3      GLU  95  10.048   6.971  23.185
  717    HA   PRO  96           HA       PRO  96  13.580   9.889  22.768
  718    HB2  PRO  96           HB2      PRO  96  15.467   7.904  22.851
  719    HB3  PRO  96           HB3      PRO  96  15.247   9.098  24.162
  720    HG2  PRO  96           HG2      PRO  96  14.175   6.266  24.014
  721    HG3  PRO  96           HG3      PRO  96  14.972   7.082  25.395
  722    HD2  PRO  96           HD2      PRO  96  12.230   6.879  25.124
  723    HD3  PRO  96           HD3      PRO  96  13.015   8.270  25.938
  724    H    ILE  97           H        ILE  97  13.478   9.747  20.571
  725    HA   ILE  97           HA       ILE  97  11.947   7.613  19.318
  726    HB   ILE  97           HB       ILE  97  13.567   9.851  18.032
  727   HG12  ILE  97          HG12      ILE  97  11.963  10.954  19.405
  728   HG13  ILE  97          HG13      ILE  97  11.387  11.023  17.751
  729   HG21  ILE  97          HG21      ILE  97  11.349   8.064  16.929
  730   HG22  ILE  97          HG22      ILE  97  12.128   9.414  16.083
  731   HG23  ILE  97          HG23      ILE  97  13.060   7.970  16.493
  732   HD11  ILE  97          HD13      ILE  97  10.342   9.157  19.935
  733   HD12  ILE  97          HD11      ILE  97   9.552  10.598  19.293
  734   HD13  ILE  97          HD12      ILE  97   9.766   9.179  18.249
  735    H    LYS  98           H        LYS  98  12.884   5.644  19.159
  736    HA   LYS  98           HA       LYS  98  15.781   5.416  18.557
  737    HB2  LYS  98           HB2      LYS  98  13.645   3.330  19.170
  738    HB3  LYS  98           HB3      LYS  98  15.281   2.956  18.605
  739    HG2  LYS  98           HG2      LYS  98  16.185   4.327  20.547
  740    HG3  LYS  98           HG3      LYS  98  14.538   4.438  21.169
  741    HD2  LYS  98           HD2      LYS  98  15.850   2.717  22.298
  742    HD3  LYS  98           HD3      LYS  98  14.469   1.991  21.459
  743    HE2  LYS  98           HE2      LYS  98  15.810   1.015  19.792
  744    HE3  LYS  98           HE3      LYS  98  17.133   2.167  20.035
  745    HZ1  LYS  98           HZ3      LYS  98  17.796   1.087  21.970
  746    HZ2  LYS  98           HZ1      LYS  98  16.442   0.142  22.076
  747    HZ3  LYS  98           HZ2      LYS  98  17.548  -0.119  20.903
  748    H    LEU  99           H        LEU  99  12.711   5.528  16.815
  749    HA   LEU  99           HA       LEU  99  14.220   4.717  14.387
  750    HB2  LEU  99           HB2      LEU  99  11.575   3.699  15.496
  751    HB3  LEU  99           HB3      LEU  99  11.793   3.748  13.754
  752    HG   LEU  99           HG       LEU  99  13.859   2.367  15.468
  753   HD11  LEU  99          HD11      LEU  99  11.301   1.090  14.454
  754   HD12  LEU  99          HD12      LEU  99  12.670   0.273  15.265
  755   HD13  LEU  99          HD13      LEU  99  11.693   1.447  16.146
  756   HD21  LEU  99          HD23      LEU  99  14.338   2.815  13.053
  757   HD22  LEU  99          HD21      LEU  99  14.217   1.087  13.348
  758   HD23  LEU  99          HD22      LEU  99  12.869   1.949  12.593
  759    H    LEU 100           H        LEU 100  13.810   5.693  12.563
  760    HA   LEU 100           HA       LEU 100  11.672   7.760  12.497
  761    HB2  LEU 100           HB2      LEU 100  14.490   8.392  11.571
  762    HB3  LEU 100           HB3      LEU 100  13.127   9.461  11.796
  763    HG   LEU 100           HG       LEU 100  13.392   8.634  14.325
  764   HD11  LEU 100          HD11      LEU 100  15.705   8.409  15.025
  765   HD12  LEU 100          HD12      LEU 100  15.379   7.157  13.823
  766   HD13  LEU 100          HD13      LEU 100  16.270   8.614  13.353
  767   HD21  LEU 100          HD23      LEU 100  13.422  10.965  13.709
  768   HD22  LEU 100          HD21      LEU 100  14.662  10.600  14.908
  769   HD23  LEU 100          HD22      LEU 100  15.127  10.829  13.210
  770    H    ILE 101           H        ILE 101  10.680   7.743  10.495
  771    HA   ILE 101           HA       ILE 101  12.274   6.706   8.210
  772    HB   ILE 101           HB       ILE 101   9.342   6.176   8.836
  773   HG12  ILE 101          HG12      ILE 101  11.838   4.572   8.186
  774   HG13  ILE 101          HG13      ILE 101  10.843   4.501   9.641
  775   HG21  ILE 101          HG21      ILE 101   8.949   5.456   6.642
  776   HG22  ILE 101          HG22      ILE 101   9.429   7.126   6.542
  777   HG23  ILE 101          HG23      ILE 101  10.590   5.854   6.093
  778   HD11  ILE 101          HD13      ILE 101   8.996   3.541   8.143
  779   HD12  ILE 101          HD11      ILE 101  10.257   3.406   6.877
  780   HD13  ILE 101          HD12      ILE 101  10.424   2.516   8.394
  781    H    GLY 102           H        GLY 102  12.588   8.074   6.636
  782    HA2  GLY 102           HA2      GLY 102  11.327  10.767   6.715
  783    HA3  GLY 102           HA3      GLY 102  12.711  10.282   5.722
  784    H    LEU 103           H        LEU 103  10.190  11.500   4.832
  785    HA   LEU 103           HA       LEU 103   9.662   9.699   2.589
  786    HB2  LEU 103           HB2      LEU 103   7.897   9.217   4.436
  787    HB3  LEU 103           HB3      LEU 103   7.371  10.865   4.210
  788    HG   LEU 103           HG       LEU 103   7.042   8.462   2.342
  789   HD11  LEU 103          HD11      LEU 103   5.108  10.597   3.427
  790   HD12  LEU 103          HD12      LEU 103   4.707   9.022   2.730
  791   HD13  LEU 103          HD13      LEU 103   5.467   9.135   4.324
  792   HD21  LEU 103          HD23      LEU 103   7.490  10.101   0.719
  793   HD22  LEU 103          HD21      LEU 103   5.753  10.220   0.887
  794   HD23  LEU 103          HD22      LEU 103   6.719  11.429   1.671
  795    H    SER 104           H        SER 104   9.295  11.030   0.747
  796    HA   SER 104           HA       SER 104   8.454  13.805   1.096
  797    HB2  SER 104           HB2      SER 104  10.151  14.641  -0.459
  798    HB3  SER 104           HB3      SER 104  10.889  13.993   1.016
  799    HG   SER 104           HG       SER 104  10.950  13.009  -1.621
  800    H    ALA 105           H        ALA 105   7.108  14.406  -0.749
  801    HA   ALA 105           HA       ALA 105   7.219  12.621  -3.022
  802    HB1  ALA 105           HB3      ALA 105   4.440  13.116  -2.176
  803    HB2  ALA 105           HB1      ALA 105   5.170  11.726  -2.977
  804    HB3  ALA 105           HB2      ALA 105   5.335  11.894  -1.230
  805    H    ALA 106           H        ALA 106   6.414  13.565  -4.942
  806    HA   ALA 106           HA       ALA 106   6.844  16.441  -4.707
  807    HB1  ALA 106           HB3      ALA 106   7.989  15.123  -6.492
  808    HB2  ALA 106           HB1      ALA 106   6.411  14.697  -7.196
  809    HB3  ALA 106           HB2      ALA 106   6.964  16.385  -7.198
  810    H    ASP 107           H        ASP 107   4.126  14.353  -4.818
  811    HA   ASP 107           HA       ASP 107   2.340  16.731  -5.107
  812    HB2  ASP 107           HB2      ASP 107   2.290  15.490  -7.255
  813    HB3  ASP 107           HB3      ASP 107   1.831  14.021  -6.390
  814    H    ALA 108           H        ALA 108   0.340  16.546  -3.897
  815    HA   ALA 108           HA       ALA 108   0.718  15.375  -1.358
  816    HB1  ALA 108           HB3      ALA 108  -1.849  16.382  -2.659
  817    HB2  ALA 108           HB1      ALA 108  -1.601  16.093  -0.924
  818    HB3  ALA 108           HB2      ALA 108  -0.679  17.370  -1.744
  819    H    ASP 109           H        ASP 109  -0.982  14.092  -4.237
  820    HA   ASP 109           HA       ASP 109  -2.198  11.886  -2.729
  821    HB2  ASP 109           HB2      ASP 109  -3.236  12.632  -4.770
  822    HB3  ASP 109           HB3      ASP 109  -1.752  12.304  -5.692
  823    H    SER 110           H        SER 110   0.849  12.469  -4.455
  824    HA   SER 110           HA       SER 110   1.805   9.760  -4.254
  825    HB2  SER 110           HB2      SER 110   3.476  12.316  -4.382
  826    HB3  SER 110           HB3      SER 110   3.991  10.666  -4.727
  827    HG   SER 110           HG       SER 110   3.470  11.752  -6.644
  828    H    HIS 111           H        HIS 111   1.895  12.609  -2.013
  829    HA   HIS 111           HA       HIS 111   3.339  11.266   0.065
  830    HB2  HIS 111           HB2      HIS 111   1.444  13.621   0.072
  831    HB3  HIS 111           HB3      HIS 111   1.901  12.858   1.579
  832    HD1  HIS 111           HD1      HIS 111   4.343  13.328   2.510
  833    HD2  HIS 111           HD2      HIS 111   3.383  15.048  -1.203
  834    HE1  HIS 111           HE1      HIS 111   6.191  14.970   1.980
  835    H    ILE 112           H        ILE 112  -0.211  11.389  -0.624
  836    HA   ILE 112           HA       ILE 112  -1.016   9.842   1.615
  837    HB   ILE 112           HB       ILE 112  -2.173  10.147  -1.186
  838   HG12  ILE 112          HG12      ILE 112  -2.168  12.170   0.290
  839   HG13  ILE 112          HG13      ILE 112  -3.745  11.658  -0.279
  840   HG21  ILE 112          HG21      ILE 112  -3.046   8.039  -0.504
  841   HG22  ILE 112          HG22      ILE 112  -3.438   8.642   1.119
  842   HG23  ILE 112          HG23      ILE 112  -4.319   9.241  -0.310
  843   HD11  ILE 112          HD13      ILE 112  -4.267  10.705   1.914
  844   HD12  ILE 112          HD11      ILE 112  -2.626  11.084   2.495
  845   HD13  ILE 112          HD12      ILE 112  -3.751  12.393   2.067
  846    H    GLY 113           H        GLY 113  -0.246   8.656  -1.737
  847    HA2  GLY 113           HA2      GLY 113  -0.587   5.925  -1.149
  848    HA3  GLY 113           HA3      GLY 113   0.459   6.581  -2.425
  849    H    ALA 114           H        ALA 114   2.280   8.012  -0.766
  850    HA   ALA 114           HA       ALA 114   4.151   5.956  -0.083
  851    HB1  ALA 114           HB3      ALA 114   4.822   8.129  -0.968
  852    HB2  ALA 114           HB1      ALA 114   4.037   8.962   0.393
  853    HB3  ALA 114           HB2      ALA 114   5.465   7.965   0.668
  854    H    ILE 115           H        ILE 115   2.227   8.267   1.983
  855    HA   ILE 115           HA       ILE 115   3.134   7.420   4.470
  856    HB   ILE 115           HB       ILE 115   0.734   8.653   3.322
  857   HG12  ILE 115          HG12      ILE 115   2.784   9.990   3.854
  858   HG13  ILE 115          HG13      ILE 115   1.295  10.623   4.534
  859   HG21  ILE 115          HG21      ILE 115  -0.345   9.034   5.522
  860   HG22  ILE 115          HG22      ILE 115  -0.480   7.429   4.813
  861   HG23  ILE 115          HG23      ILE 115   0.678   7.693   6.142
  862   HD11  ILE 115          HD13      ILE 115   1.847   9.856   6.748
  863   HD12  ILE 115          HD11      ILE 115   3.179   8.860   6.134
  864   HD13  ILE 115          HD12      ILE 115   3.304  10.626   6.099
  865    H    GLN 116           H        GLN 116   0.492   6.222   2.350
  866    HA   GLN 116           HA       GLN 116  -0.465   4.230   4.179
  867    HB2  GLN 116           HB2      GLN 116  -0.857   4.740   1.203
  868    HB3  GLN 116           HB3      GLN 116  -1.669   3.422   2.050
  869    HG2  GLN 116           HG2      GLN 116  -1.843   6.351   2.834
  870    HG3  GLN 116           HG3      GLN 116  -3.029   5.530   1.825
  871   HE21  GLN 116          HE22      GLN 116  -3.265   6.845   4.570
  872   HE22  GLN 116          HE21      GLN 116  -3.954   5.611   5.592
  873    H    ALA 117           H        ALA 117   2.458   4.260   2.342
  874    HA   ALA 117           HA       ALA 117   2.539   1.350   2.176
  875    HB1  ALA 117           HB3      ALA 117   4.776   3.324   1.566
  876    HB2  ALA 117           HB1      ALA 117   4.649   1.646   1.040
  877    HB3  ALA 117           HB2      ALA 117   3.572   2.858   0.350
  878    H    LEU 118           H        LEU 118   3.886   4.186   3.859
  879    HA   LEU 118           HA       LEU 118   5.587   2.598   5.518
  880    HB2  LEU 118           HB2      LEU 118   4.579   5.461   5.860
  881    HB3  LEU 118           HB3      LEU 118   5.870   4.678   6.828
  882    HG   LEU 118           HG       LEU 118   5.880   4.965   3.804
  883   HD11  LEU 118          HD11      LEU 118   7.559   6.801   4.275
  884   HD12  LEU 118          HD12      LEU 118   5.906   7.135   4.821
  885   HD13  LEU 118          HD13      LEU 118   7.140   6.678   5.996
  886   HD21  LEU 118          HD23      LEU 118   7.715   3.725   5.880
  887   HD22  LEU 118          HD21      LEU 118   7.427   3.277   4.191
  888   HD23  LEU 118          HD22      LEU 118   8.484   4.634   4.579
  889    H    SER 119           H        SER 119   2.255   3.713   5.911
  890    HA   SER 119           HA       SER 119   1.994   2.960   8.618
  891    HB2  SER 119           HB2      SER 119  -0.073   2.678   6.383
  892    HB3  SER 119           HB3      SER 119  -0.413   2.773   8.119
  893    HG   SER 119           HG       SER 119   0.796   4.807   6.505
  894    H    GLU 120           H        GLU 120   2.481   0.863   5.804
  895    HA   GLU 120           HA       GLU 120   1.423  -1.503   7.063
  896    HB2  GLU 120           HB2      GLU 120   3.453  -1.308   4.807
  897    HB3  GLU 120           HB3      GLU 120   2.598  -2.754   5.290
  898    HG2  GLU 120           HG2      GLU 120   1.156  -0.267   4.342
  899    HG3  GLU 120           HG3      GLU 120   1.681  -1.538   3.239
  900    H    LEU 121           H        LEU 121   4.241   0.410   7.407
  901    HA   LEU 121           HA       LEU 121   5.782  -1.784   8.708
  902    HB2  LEU 121           HB2      LEU 121   6.706   0.978   7.764
  903    HB3  LEU 121           HB3      LEU 121   7.707  -0.244   8.557
  904    HG   LEU 121           HG       LEU 121   6.423  -0.379   5.799
  905   HD11  LEU 121          HD11      LEU 121   8.801  -0.541   5.071
  906   HD12  LEU 121          HD12      LEU 121   8.495   0.939   5.993
  907   HD13  LEU 121          HD13      LEU 121   9.323  -0.435   6.760
  908   HD21  LEU 121          HD23      LEU 121   6.243  -2.653   6.678
  909   HD22  LEU 121          HD21      LEU 121   7.520  -2.580   5.471
  910   HD23  LEU 121          HD22      LEU 121   7.953  -2.629   7.184
  911    H    LEU 122           H        LEU 122   5.320   1.768   9.250
  912    HA   LEU 122           HA       LEU 122   6.010   1.413  12.023
  913    HB2  LEU 122           HB2      LEU 122   4.887   3.835  10.582
  914    HB3  LEU 122           HB3      LEU 122   5.621   3.808  12.192
  915    HG   LEU 122           HG       LEU 122   6.967   3.419   9.508
  916   HD11  LEU 122          HD11      LEU 122   8.460   5.199  10.490
  917   HD12  LEU 122          HD12      LEU 122   6.770   5.694  10.273
  918   HD13  LEU 122          HD13      LEU 122   7.401   5.280  11.881
  919   HD21  LEU 122          HD23      LEU 122   8.163   2.689  12.216
  920   HD22  LEU 122          HD21      LEU 122   7.968   1.635  10.804
  921   HD23  LEU 122          HD22      LEU 122   9.114   2.967  10.748
  922    H    CYS 123           H        CYS 123   3.001   0.830  10.564
  923    HA   CYS 123           HA       CYS 123   1.714   1.128  13.225
  924    HB2  CYS 123           HB2      CYS 123   0.249   1.316  10.564
  925    HB3  CYS 123           HB3      CYS 123  -0.409   1.569  12.175
  926    HG   CYS 123           HG       CYS 123  -0.252   3.865  10.938
  927    H    GLU 124           H        GLU 124   3.322  -1.054  12.204
  928    HA   GLU 124           HA       GLU 124   1.353  -3.185  12.678
  929    HB2  GLU 124           HB2      GLU 124   3.508  -3.222  10.537
  930    HB3  GLU 124           HB3      GLU 124   2.783  -4.688  11.192
  931    HG2  GLU 124           HG2      GLU 124   1.282  -2.437   9.821
  932    HG3  GLU 124           HG3      GLU 124   1.731  -3.978   9.079
  933    H    GLU 125           H        GLU 125   1.793  -3.728  14.604
  934    HA   GLU 125           HA       GLU 125   4.192  -3.201  15.984
  935    HB2  GLU 125           HB2      GLU 125   3.305  -4.562  17.780
  936    HB3  GLU 125           HB3      GLU 125   2.049  -3.533  17.094
  937    HG2  GLU 125           HG2      GLU 125   1.195  -5.504  15.786
  938    HG3  GLU 125           HG3      GLU 125   2.415  -6.518  16.558
  939    H    GLU 126           H        GLU 126   3.336  -5.914  13.942
  940    HA   GLU 126           HA       GLU 126   5.333  -7.749  14.801
  941    HB2  GLU 126           HB2      GLU 126   4.131  -7.423  12.013
  942    HB3  GLU 126           HB3      GLU 126   5.014  -8.833  12.619
  943    HG2  GLU 126           HG2      GLU 126   3.248  -9.042  14.427
  944    HG3  GLU 126           HG3      GLU 126   2.340  -7.772  13.591
  945    H    ILE 127           H        ILE 127   5.297  -5.180  12.338
  946    HA   ILE 127           HA       ILE 127   8.046  -5.567  11.508
  947    HB   ILE 127           HB       ILE 127   5.960  -3.496  11.017
  948   HG12  ILE 127          HG12      ILE 127   6.248  -4.086   8.691
  949   HG13  ILE 127          HG13      ILE 127   7.605  -5.154   9.075
  950   HG21  ILE 127          HG21      ILE 127   7.735  -2.423   9.456
  951   HG22  ILE 127          HG22      ILE 127   7.872  -2.097  11.182
  952   HG23  ILE 127          HG23      ILE 127   8.919  -3.312  10.419
  953   HD11  ILE 127          HD13      ILE 127   6.108  -6.752  10.108
  954   HD12  ILE 127          HD11      ILE 127   4.732  -5.619   9.942
  955   HD13  ILE 127          HD12      ILE 127   5.498  -6.326   8.504
  956    H    LEU 128           H        LEU 128   6.319  -3.384  13.815
  957    HA   LEU 128           HA       LEU 128   8.503  -1.740  14.362
  958    HB2  LEU 128           HB2      LEU 128   6.337  -2.617  16.311
  959    HB3  LEU 128           HB3      LEU 128   7.517  -1.359  16.635
  960    HG   LEU 128           HG       LEU 128   5.344  -1.265  14.513
  961   HD11  LEU 128          HD11      LEU 128   5.870   0.427  16.985
  962   HD12  LEU 128          HD12      LEU 128   4.527   0.621  15.834
  963   HD13  LEU 128          HD13      LEU 128   4.628  -0.834  16.835
  964   HD21  LEU 128          HD23      LEU 128   7.147  -0.162  13.452
  965   HD22  LEU 128          HD21      LEU 128   6.202   1.126  14.211
  966   HD23  LEU 128          HD22      LEU 128   7.712   0.576  14.967
  967    H    GLU 129           H        GLU 129   7.854  -4.926  15.793
  968    HA   GLU 129           HA       GLU 129  10.073  -4.753  17.597
  969    HB2  GLU 129           HB2      GLU 129   8.144  -6.889  16.758
  970    HB3  GLU 129           HB3      GLU 129   9.722  -7.432  17.348
  971    HG2  GLU 129           HG2      GLU 129   9.491  -6.119  19.391
  972    HG3  GLU 129           HG3      GLU 129   7.910  -5.518  18.862
  973    H    GLN 130           H        GLN 130   9.715  -5.805  14.171
  974    HA   GLN 130           HA       GLN 130  12.222  -7.221  14.114
  975    HB2  GLN 130           HB2      GLN 130  10.376  -6.069  11.993
  976    HB3  GLN 130           HB3      GLN 130  11.892  -6.899  11.604
  977    HG2  GLN 130           HG2      GLN 130  11.147  -8.967  12.514
  978    HG3  GLN 130           HG3      GLN 130   9.742  -8.228  13.272
  979   HE21  GLN 130          HE22      GLN 130   7.851  -8.167  12.129
  980   HE22  GLN 130          HE21      GLN 130   7.684  -8.600  10.431
  981    H    LEU 131           H        LEU 131  11.103  -3.878  13.395
  982    HA   LEU 131           HA       LEU 131  13.686  -2.897  12.551
  983    HB2  LEU 131           HB2      LEU 131  11.480  -1.369  13.958
  984    HB3  LEU 131           HB3      LEU 131  12.861  -0.688  13.090
  985    HG   LEU 131           HG       LEU 131  10.719  -2.359  11.695
  986   HD11  LEU 131          HD11      LEU 131  10.745   0.646  12.137
  987   HD12  LEU 131          HD12      LEU 131   9.544  -0.288  11.213
  988   HD13  LEU 131          HD13      LEU 131   9.698  -0.518  12.971
  989   HD21  LEU 131          HD23      LEU 131  11.445  -1.109   9.710
  990   HD22  LEU 131          HD21      LEU 131  12.622  -0.212  10.689
  991   HD23  LEU 131          HD22      LEU 131  12.816  -1.963  10.439
  992    H    LEU 132           H        LEU 132  11.881  -2.671  15.676
  993    HA   LEU 132           HA       LEU 132  13.970  -1.431  17.099
  994    HB2  LEU 132           HB2      LEU 132  11.715  -3.210  18.052
  995    HB3  LEU 132           HB3      LEU 132  12.835  -2.478  19.183
  996    HG   LEU 132           HG       LEU 132  11.236  -0.802  17.212
  997   HD11  LEU 132          HD11      LEU 132   9.704  -2.073  18.670
  998   HD12  LEU 132          HD12      LEU 132  10.567  -1.483  20.106
  999   HD13  LEU 132          HD13      LEU 132   9.686  -0.344  19.062
 1000   HD21  LEU 132          HD23      LEU 132  13.196   0.368  18.136
 1001   HD22  LEU 132          HD21      LEU 132  11.710   1.032  18.822
 1002   HD23  LEU 132          HD22      LEU 132  12.708  -0.076  19.785
 1003    H    THR 133           H        THR 133  13.915  -4.781  16.119
 1004    HA   THR 133           HA       THR 133  16.202  -5.348  17.914
 1005    HB   THR 133           HB       THR 133  15.711  -7.720  17.437
 1006    HG1  THR 133           HG1      THR 133  13.293  -6.778  16.317
 1007   HG21  THR 133          HG23      THR 133  13.696  -7.910  18.815
 1008   HG22  THR 133          HG21      THR 133  14.750  -6.637  19.452
 1009   HG23  THR 133          HG22      THR 133  13.286  -6.209  18.542
 1010    H    ALA 134           H        ALA 134  15.828  -4.087  14.896
 1011    HA   ALA 134           HA       ALA 134  17.758  -5.531  13.357
 1012    HB1  ALA 134           HB3      ALA 134  16.910  -2.624  13.199
 1013    HB2  ALA 134           HB1      ALA 134  17.854  -3.503  11.999
 1014    HB3  ALA 134           HB2      ALA 134  16.170  -3.980  12.311
 1015    H    SER 135           H        SER 135  19.911  -5.375  13.373
 1016    HA   SER 135           HA       SER 135  21.283  -3.306  15.034
 1017    HB2  SER 135           HB2      SER 135  22.035  -6.242  14.722
 1018    HB3  SER 135           HB3      SER 135  22.870  -5.036  15.716
 1019    HG   SER 135           HG       SER 135  21.442  -6.351  16.937
 1020    H    SER 136           H        SER 136  20.745  -4.243  11.901
 1021    HA   SER 136           HA       SER 136  23.352  -3.193  10.990
 1022    HB2  SER 136           HB2      SER 136  22.136  -5.781   9.926
 1023    HB3  SER 136           HB3      SER 136  23.644  -5.025   9.401
 1024    HG   SER 136           HG       SER 136  24.491  -5.432  11.491
 1025    H    GLU 137           H        GLU 137  23.248  -2.260   8.940
 1026    HA   GLU 137           HA       GLU 137  20.894  -0.886   8.236
 1027    HB2  GLU 137           HB2      GLU 137  23.373  -0.396   7.795
 1028    HB3  GLU 137           HB3      GLU 137  23.276  -1.533   6.444
 1029    HG2  GLU 137           HG2      GLU 137  21.429  -0.087   5.490
 1030    HG3  GLU 137           HG3      GLU 137  21.705   1.030   6.841
 1031    H    LYS 138           H        LYS 138  22.360  -3.838   6.791
 1032    HA   LYS 138           HA       LYS 138  20.465  -4.192   4.747
 1033    HB2  LYS 138           HB2      LYS 138  22.668  -5.376   4.938
 1034    HB3  LYS 138           HB3      LYS 138  22.043  -6.299   6.299
 1035    HG2  LYS 138           HG2      LYS 138  22.030  -7.635   4.257
 1036    HG3  LYS 138           HG3      LYS 138  20.400  -7.411   4.869
 1037    HD2  LYS 138           HD2      LYS 138  20.414  -7.236   2.454
 1038    HD3  LYS 138           HD3      LYS 138  19.978  -5.671   3.146
 1039    HE2  LYS 138           HE2      LYS 138  22.303  -4.859   2.796
 1040    HE3  LYS 138           HE3      LYS 138  22.771  -6.447   2.176
 1041    HZ1  LYS 138           HZ3      LYS 138  22.320  -4.900   0.387
 1042    HZ2  LYS 138           HZ1      LYS 138  21.235  -6.111   0.331
 1043    HZ3  LYS 138           HZ2      LYS 138  20.796  -4.642   0.899
 1044    H    GLN 139           H        GLN 139  20.287  -5.103   8.185
 1045    HA   GLN 139           HA       GLN 139  18.011  -6.757   7.993
 1046    HB2  GLN 139           HB2      GLN 139  19.823  -5.943   9.959
 1047    HB3  GLN 139           HB3      GLN 139  18.329  -5.161  10.480
 1048    HG2  GLN 139           HG2      GLN 139  17.176  -7.358  10.349
 1049    HG3  GLN 139           HG3      GLN 139  18.702  -8.100   9.817
 1050   HE21  GLN 139          HE22      GLN 139  17.179  -8.852  12.231
 1051   HE22  GLN 139          HE21      GLN 139  18.199  -8.493  13.602
 1052    H    LEU 140           H        LEU 140  18.368  -3.177   8.388
 1053    HA   LEU 140           HA       LEU 140  15.546  -2.737   8.816
 1054    HB2  LEU 140           HB2      LEU 140  17.892  -1.001   8.015
 1055    HB3  LEU 140           HB3      LEU 140  16.261  -0.369   7.972
 1056    HG   LEU 140           HG       LEU 140  17.582  -1.536  10.449
 1057   HD11  LEU 140          HD11      LEU 140  17.829   0.709  11.234
 1058   HD12  LEU 140          HD12      LEU 140  18.565   0.633   9.633
 1059   HD13  LEU 140          HD13      LEU 140  16.972   1.382   9.848
 1060   HD21  LEU 140          HD23      LEU 140  15.688  -0.393  11.653
 1061   HD22  LEU 140          HD21      LEU 140  14.878  -0.266  10.082
 1062   HD23  LEU 140          HD22      LEU 140  15.275  -1.858  10.775
 1063    H    ALA 141           H        ALA 141  17.661  -2.520   5.904
 1064    HA   ALA 141           HA       ALA 141  15.575  -2.154   4.050
 1065    HB1  ALA 141           HB3      ALA 141  18.080  -3.734   3.465
 1066    HB2  ALA 141           HB1      ALA 141  17.105  -2.701   2.377
 1067    HB3  ALA 141           HB2      ALA 141  18.077  -1.966   3.671
 1068    H    ASP 142           H        ASP 142  16.635  -5.258   5.512
 1069    HA   ASP 142           HA       ASP 142  15.180  -6.912   3.727
 1070    HB2  ASP 142           HB2      ASP 142  16.801  -7.834   5.307
 1071    HB3  ASP 142           HB3      ASP 142  15.794  -7.344   6.672
 1072    H    ILE 143           H        ILE 143  14.154  -5.115   6.671
 1073    HA   ILE 143           HA       ILE 143  11.482  -6.112   6.678
 1074    HB   ILE 143           HB       ILE 143  12.874  -3.717   7.919
 1075   HG12  ILE 143          HG12      ILE 143  11.896  -6.260   9.287
 1076   HG13  ILE 143          HG13      ILE 143  13.504  -6.181   8.581
 1077   HG21  ILE 143          HG21      ILE 143  10.524  -3.193   7.781
 1078   HG22  ILE 143          HG22      ILE 143  10.089  -4.789   8.449
 1079   HG23  ILE 143          HG23      ILE 143  10.940  -3.587   9.449
 1080   HD11  ILE 143          HD13      ILE 143  12.470  -4.466  10.835
 1081   HD12  ILE 143          HD11      ILE 143  13.774  -5.674  10.865
 1082   HD13  ILE 143          HD12      ILE 143  14.008  -4.159   9.985
 1083    H    ILE 144           H        ILE 144  13.110  -3.329   5.128
 1084    HA   ILE 144           HA       ILE 144  10.773  -2.172   3.939
 1085    HB   ILE 144           HB       ILE 144  13.611  -2.377   2.815
 1086   HG12  ILE 144          HG12      ILE 144  13.665  -1.039   4.795
 1087   HG13  ILE 144          HG13      ILE 144  13.765   0.029   3.398
 1088   HG21  ILE 144          HG21      ILE 144  12.992  -0.525   1.285
 1089   HG22  ILE 144          HG22      ILE 144  12.232  -2.070   0.915
 1090   HG23  ILE 144          HG23      ILE 144  11.287  -0.797   1.703
 1091   HD11  ILE 144          HD13      ILE 144  12.253   1.059   4.851
 1092   HD12  ILE 144          HD11      ILE 144  11.221   0.292   3.618
 1093   HD13  ILE 144          HD12      ILE 144  11.417  -0.464   5.218
 1094    H    SER 145           H        SER 145  12.925  -4.769   2.808
 1095    HA   SER 145           HA       SER 145  11.538  -5.142   0.409
 1096    HB2  SER 145           HB2      SER 145  13.214  -7.202   1.929
 1097    HB3  SER 145           HB3      SER 145  12.845  -7.220   0.198
 1098    HG   SER 145           HG       SER 145  14.393  -5.291   1.632
 1099    H    ARG 146           H        ARG 146  10.987  -6.604   3.649
 1100    HA   ARG 146           HA       ARG 146   9.086  -8.507   3.017
 1101    HB2  ARG 146           HB2      ARG 146  10.304  -7.572   5.295
 1102    HB3  ARG 146           HB3      ARG 146   8.711  -6.821   5.491
 1103    HG2  ARG 146           HG2      ARG 146   7.731  -9.124   5.026
 1104    HG3  ARG 146           HG3      ARG 146   9.404  -9.726   5.056
 1105    HD2  ARG 146           HD2      ARG 146   9.639  -9.026   7.395
 1106    HD3  ARG 146           HD3      ARG 146   8.032  -8.281   7.373
 1107    HE   ARG 146           HE       ARG 146   7.136 -10.583   6.856
 1108   HH11  ARG 146          HH11      ARG 146   9.938 -10.183   9.003
 1109   HH12  ARG 146          HH12      ARG 146   9.993 -11.853   9.453
 1110   HH21  ARG 146          HH22      ARG 146   7.103 -12.740   7.601
 1111   HH22  ARG 146          HH21      ARG 146   8.264 -13.292   8.744
 1112    H    GLY 147           H        GLY 147   8.751  -5.012   2.942
 1113    HA2  GLY 147           HA2      GLY 147   5.847  -4.955   3.254
 1114    HA3  GLY 147           HA3      GLY 147   6.932  -3.618   2.827
  Start of MODEL   19
    1    H    MET   1           H1       MET   1   1.856  -2.343  -0.408
    2    HA   MET   1           HA       MET   1   2.512  -2.676  -3.249
    3    HB2  MET   1           HB2      MET   1   3.202  -0.338  -3.254
    4    HB3  MET   1           HB3      MET   1   1.467  -0.503  -2.986
    5    HG2  MET   1           HG2      MET   1   3.502  -0.040  -0.770
    6    HG3  MET   1           HG3      MET   1   2.694   1.259  -1.627
    7    HE1  MET   1           HE3      MET   1  -0.781   1.523  -0.193
    8    HE2  MET   1           HE1      MET   1   0.634   2.400  -0.813
    9    HE3  MET   1           HE2      MET   1  -0.164   1.171  -1.823
   10    H    ARG   2           H        ARG   2   4.791  -2.272  -3.813
   11    HA   ARG   2           HA       ARG   2   6.631  -3.316  -1.848
   12    HB2  ARG   2           HB2      ARG   2   6.906  -2.155  -4.642
   13    HB3  ARG   2           HB3      ARG   2   8.322  -2.357  -3.622
   14    HG2  ARG   2           HG2      ARG   2   8.085  -4.212  -5.118
   15    HG3  ARG   2           HG3      ARG   2   7.995  -4.742  -3.438
   16    HD2  ARG   2           HD2      ARG   2   5.496  -4.205  -5.042
   17    HD3  ARG   2           HD3      ARG   2   6.388  -5.726  -5.247
   18    HE   ARG   2           HE       ARG   2   6.024  -5.396  -2.473
   19   HH11  ARG   2          HH21      ARG   2   4.072  -6.125  -5.363
   20   HH12  ARG   2          HH22      ARG   2   2.838  -6.947  -4.486
   21   HH21  ARG   2          HH12      ARG   2   4.353  -6.367  -1.302
   22   HH22  ARG   2          HH11      ARG   2   3.027  -7.141  -2.121
   23    H    LEU   3           H        LEU   3   6.996  -2.124  -0.073
   24    HA   LEU   3           HA       LEU   3   7.164   0.726   0.038
   25    HB2  LEU   3           HB2      LEU   3   8.496  -1.470   1.657
   26    HB3  LEU   3           HB3      LEU   3   8.883   0.234   1.875
   27    HG   LEU   3           HG       LEU   3   7.224  -0.802   3.496
   28   HD11  LEU   3          HD11      LEU   3   6.021   1.304   3.683
   29   HD12  LEU   3          HD12      LEU   3   7.719   1.557   3.331
   30   HD13  LEU   3          HD13      LEU   3   6.524   1.770   2.037
   31   HD21  LEU   3          HD23      LEU   3   5.725  -1.979   1.977
   32   HD22  LEU   3          HD21      LEU   3   4.858  -0.762   2.908
   33   HD23  LEU   3          HD22      LEU   3   5.251  -0.454   1.210
   34    H    SER   4           H        SER   4   9.476  -1.808  -0.990
   35    HA   SER   4           HA       SER   4  11.812  -0.446  -1.195
   36    HB2  SER   4           HB2      SER   4  11.010  -2.270  -3.438
   37    HB3  SER   4           HB3      SER   4  12.479  -2.278  -2.443
   38    HG   SER   4           HG       SER   4  11.052  -4.049  -2.046
   39    H    ASP   5           H        ASP   5   8.930   0.267  -3.140
   40    HA   ASP   5           HA       ASP   5  10.289   1.474  -5.335
   41    HB2  ASP   5           HB2      ASP   5   7.890   0.848  -5.328
   42    HB3  ASP   5           HB3      ASP   5   7.572   2.104  -4.125
   43    H    TYR   6           H        TYR   6   9.783   2.604  -2.040
   44    HA   TYR   6           HA       TYR   6  10.149   5.425  -2.842
   45    HB2  TYR   6           HB2      TYR   6   9.463   4.229  -0.146
   46    HB3  TYR   6           HB3      TYR   6   9.400   5.932  -0.573
   47    HD1  TYR   6           HD1      TYR   6   7.609   6.875  -1.903
   48    HD2  TYR   6           HD2      TYR   6   7.626   2.727  -0.722
   49    HE1  TYR   6           HE1      TYR   6   5.278   6.635  -2.728
   50    HE2  TYR   6           HE2      TYR   6   5.301   2.477  -1.532
   51    HH   TYR   6           HH       TYR   6   3.470   3.545  -2.540
   52    H    PHE   7           H        PHE   7  12.142   2.895  -1.431
   53    HA   PHE   7           HA       PHE   7  13.798   4.931  -0.004
   54    HB2  PHE   7           HB2      PHE   7  13.757   1.927   0.359
   55    HB3  PHE   7           HB3      PHE   7  14.788   3.061   1.210
   56    HD1  PHE   7           HD1      PHE   7  11.190   2.398   0.536
   57    HD2  PHE   7           HD2      PHE   7  14.060   3.677   3.477
   58    HE1  PHE   7           HE1      PHE   7   9.373   2.666   2.175
   59    HE2  PHE   7           HE2      PHE   7  12.210   4.054   5.072
   60    HZ   PHE   7           HZ       PHE   7   9.885   3.515   4.463
   61    HA   PRO   8           HA       PRO   8  16.010   4.368  -3.911
   62    HB2  PRO   8           HB2      PRO   8  18.085   6.190  -3.502
   63    HB3  PRO   8           HB3      PRO   8  16.450   6.573  -4.100
   64    HG2  PRO   8           HG2      PRO   8  17.464   6.717  -1.242
   65    HG3  PRO   8           HG3      PRO   8  16.528   7.948  -2.139
   66    HD2  PRO   8           HD2      PRO   8  15.261   6.307  -0.469
   67    HD3  PRO   8           HD3      PRO   8  14.551   6.611  -2.076
   68    H    GLU   9           H        GLU   9  18.352   4.852  -1.255
   69    HA   GLU   9           HA       GLU   9  19.545   2.245  -1.496
   70    HB2  GLU   9           HB2      GLU   9  20.331   3.332  -3.647
   71    HB3  GLU   9           HB3      GLU   9  21.005   4.637  -2.691
   72    HG2  GLU   9           HG2      GLU   9  22.822   3.218  -3.219
   73    HG3  GLU   9           HG3      GLU   9  22.461   2.885  -1.529
   74    H    SER  10           H        SER  10  21.114   5.365  -0.890
   75    HA   SER  10           HA       SER  10  22.163   4.598   1.611
   76    HB2  SER  10           HB2      SER  10  21.630   7.477   0.842
   77    HB3  SER  10           HB3      SER  10  23.062   6.795   1.619
   78    HG   SER  10           HG       SER  10  23.654   5.911  -0.381
   79    H    SER  11           H        SER  11  19.009   4.745   1.085
   80    HA   SER  11           HA       SER  11  18.012   6.849   2.763
   81    HB2  SER  11           HB2      SER  11  15.905   5.135   2.364
   82    HB3  SER  11           HB3      SER  11  16.440   6.409   1.267
   83    HG   SER  11           HG       SER  11  16.951   3.624   1.100
   84    H    ILE  12           H        ILE  12  19.331   3.759   3.634
   85    HA   ILE  12           HA       ILE  12  17.670   3.666   6.083
   86    HB   ILE  12           HB       ILE  12  18.920   1.538   4.320
   87   HG12  ILE  12          HG12      ILE  12  16.153   1.013   4.924
   88   HG13  ILE  12          HG13      ILE  12  16.235   2.721   4.496
   89   HG21  ILE  12          HG21      ILE  12  17.563   1.272   7.014
   90   HG22  ILE  12          HG22      ILE  12  17.969  -0.088   5.916
   91   HG23  ILE  12          HG23      ILE  12  19.250   0.884   6.625
   92   HD11  ILE  12          HD13      ILE  12  17.246   0.391   2.860
   93   HD12  ILE  12          HD11      ILE  12  15.818   1.402   2.543
   94   HD13  ILE  12          HD12      ILE  12  17.451   2.114   2.433
   95    H    SER  13           H        SER  13  18.869   3.699   8.041
   96    HA   SER  13           HA       SER  13  21.714   2.992   8.032
   97    HB2  SER  13           HB2      SER  13  20.775   5.831   8.654
   98    HB3  SER  13           HB3      SER  13  22.380   5.192   9.045
   99    HG   SER  13           HG       SER  13  21.660   4.753   6.448
  100    H    VAL  14           H        VAL  14  22.390   2.319   9.974
  101    HA   VAL  14           HA       VAL  14  20.614   2.626  12.351
  102    HB   VAL  14           HB       VAL  14  22.727   0.519  11.691
  103   HG11  VAL  14          HG11      VAL  14  21.048   0.884  14.222
  104   HG12  VAL  14          HG12      VAL  14  22.034  -0.547  13.852
  105   HG13  VAL  14          HG13      VAL  14  22.816   1.014  14.100
  106   HG21  VAL  14          HG23      VAL  14  20.850  -1.087  11.853
  107   HG22  VAL  14          HG21      VAL  14  19.723   0.250  12.113
  108   HG23  VAL  14          HG22      VAL  14  20.582   0.089  10.560
  109    H    ILE  15           H        ILE  15  21.519   3.749  14.018
  110    HA   ILE  15           HA       ILE  15  24.354   4.641  13.912
  111    HB   ILE  15           HB       ILE  15  21.805   6.285  14.187
  112   HG12  ILE  15          HG12      ILE  15  23.933   6.391  12.030
  113   HG13  ILE  15          HG13      ILE  15  22.228   5.948  11.853
  114   HG21  ILE  15          HG21      ILE  15  23.532   7.033  15.757
  115   HG22  ILE  15          HG22      ILE  15  24.666   7.301  14.415
  116   HG23  ILE  15          HG23      ILE  15  23.163   8.253  14.611
  117   HD11  ILE  15          HD13      ILE  15  23.351   8.711  12.486
  118   HD12  ILE  15          HD11      ILE  15  22.415   8.204  11.065
  119   HD13  ILE  15          HD12      ILE  15  21.642   8.305  12.669
  120    H    HIS  16           H        HIS  16  25.176   4.964  16.049
  121    HA   HIS  16           HA       HIS  16  23.905   3.505  18.175
  122    HB2  HIS  16           HB2      HIS  16  26.159   5.553  18.201
  123    HB3  HIS  16           HB3      HIS  16  25.706   4.525  19.565
  124    HD1  HIS  16           HD1      HIS  16  28.164   4.531  16.864
  125    HD2  HIS  16           HD2      HIS  16  25.714   1.681  18.768
  126    HE1  HIS  16           HE1      HIS  16  29.191   2.258  16.366
  127    H    SER  17           H        SER  17  24.130   7.051  17.407
  128    HA   SER  17           HA       SER  17  21.736   7.664  18.869
  129    HB2  SER  17           HB2      SER  17  22.987   9.307  20.393
  130    HB3  SER  17           HB3      SER  17  23.030   7.603  20.859
  131    HG   SER  17           HG       SER  17  25.080   8.583  21.029
  132    H    ALA  18           H        ALA  18  21.057   9.790  18.277
  133    HA   ALA  18           HA       ALA  18  22.585  11.053  16.069
  134    HB1  ALA  18           HB3      ALA  18  20.704  12.628  15.946
  135    HB2  ALA  18           HB1      ALA  18  20.109  10.971  15.834
  136    HB3  ALA  18           HB2      ALA  18  19.943  11.870  17.360
  137    H    LYS  19           H        LYS  19  23.296  13.282  16.346
  138    HA   LYS  19           HA       LYS  19  24.593  13.846  18.795
  139    HB2  LYS  19           HB2      LYS  19  25.060  14.671  16.454
  140    HB3  LYS  19           HB3      LYS  19  23.836  15.909  16.741
  141    HG2  LYS  19           HG2      LYS  19  25.063  16.853  18.613
  142    HG3  LYS  19           HG3      LYS  19  26.115  15.428  18.712
  143    HD2  LYS  19           HD2      LYS  19  27.438  17.069  17.682
  144    HD3  LYS  19           HD3      LYS  19  26.946  15.920  16.431
  145    HE2  LYS  19           HE2      LYS  19  24.926  17.728  16.168
  146    HE3  LYS  19           HE3      LYS  19  26.139  18.807  16.865
  147    HZ1  LYS  19           HZ3      LYS  19  26.327  17.229  14.374
  148    HZ2  LYS  19           HZ1      LYS  19  26.295  18.861  14.494
  149    HZ3  LYS  19           HZ2      LYS  19  27.620  18.052  15.004
  150    H    ASP  20           H        ASP  20  21.489  14.938  17.467
  151    HA   ASP  20           HA       ASP  20  20.161  15.094  19.954
  152    HB2  ASP  20           HB2      ASP  20  19.610  17.325  20.141
  153    HB3  ASP  20           HB3      ASP  20  21.364  17.397  19.919
  154    H    TRP  21           H        TRP  21  17.836  16.267  19.277
  155    HA   TRP  21           HA       TRP  21  16.821  14.712  17.194
  156    HB2  TRP  21           HB2      TRP  21  14.735  15.954  17.506
  157    HB3  TRP  21           HB3      TRP  21  15.433  15.399  19.019
  158    HD1  TRP  21           HD1      TRP  21  16.174  17.235  20.771
  159    HE1  TRP  21           HE1      TRP  21  15.878  19.759  20.952
  160    HE3  TRP  21           HE3      TRP  21  14.400  18.164  16.055
  161    HZ2  TRP  21           HZ2      TRP  21  15.067  21.953  19.224
  162    HZ3  TRP  21           HZ3      TRP  21  13.874  20.485  15.354
  163    HH2  TRP  21           HH2      TRP  21  14.263  22.381  16.907
  164    H    GLN  22           H        GLN  22  18.069  18.096  17.015
  165    HA   GLN  22           HA       GLN  22  17.063  18.740  14.374
  166    HB2  GLN  22           HB2      GLN  22  19.589  19.629  15.780
  167    HB3  GLN  22           HB3      GLN  22  18.948  20.296  14.290
  168    HG2  GLN  22           HG2      GLN  22  16.982  21.149  15.358
  169    HG3  GLN  22           HG3      GLN  22  17.279  20.224  16.830
  170   HE21  GLN  22          HE22      GLN  22  19.297  20.679  18.032
  171   HE22  GLN  22          HE21      GLN  22  19.827  22.363  18.151
  172    H    GLU  23           H        GLU  23  20.171  17.207  15.567
  173    HA   GLU  23           HA       GLU  23  21.161  16.580  12.981
  174    HB2  GLU  23           HB2      GLU  23  22.362  16.501  15.259
  175    HB3  GLU  23           HB3      GLU  23  21.581  14.922  15.484
  176    HG2  GLU  23           HG2      GLU  23  23.629  14.276  14.618
  177    HG3  GLU  23           HG3      GLU  23  22.678  14.322  13.164
  178    H    ALA  24           H        ALA  24  18.953  14.803  15.125
  179    HA   ALA  24           HA       ALA  24  19.003  12.345  13.719
  180    HB1  ALA  24           HB3      ALA  24  17.066  11.782  15.034
  181    HB2  ALA  24           HB1      ALA  24  18.131  12.805  16.026
  182    HB3  ALA  24           HB2      ALA  24  16.670  13.493  15.301
  183    H    ILE  25           H        ILE  25  17.027  15.299  13.201
  184    HA   ILE  25           HA       ILE  25  15.453  14.207  11.052
  185    HB   ILE  25           HB       ILE  25  16.345  17.078  11.441
  186   HG12  ILE  25          HG12      ILE  25  14.778  15.640  13.286
  187   HG13  ILE  25          HG13      ILE  25  15.053  17.367  13.199
  188   HG21  ILE  25          HG21      ILE  25  15.463  16.601   9.200
  189   HG22  ILE  25          HG22      ILE  25  13.984  15.938   9.890
  190   HG23  ILE  25          HG23      ILE  25  14.383  17.666  10.067
  191   HD11  ILE  25          HD13      ILE  25  12.788  15.821  11.928
  192   HD12  ILE  25          HD11      ILE  25  12.693  16.844  13.383
  193   HD13  ILE  25          HD12      ILE  25  13.005  17.602  11.823
  194    H    ASP  26           H        ASP  26  18.603  16.010  11.166
  195    HA   ASP  26           HA       ASP  26  18.981  16.170   8.366
  196    HB2  ASP  26           HB2      ASP  26  20.332  17.443   9.969
  197    HB3  ASP  26           HB3      ASP  26  21.065  15.958  10.576
  198    H    PHE  27           H        PHE  27  20.139  13.682  10.688
  199    HA   PHE  27           HA       PHE  27  21.277  11.931   8.780
  200    HB2  PHE  27           HB2      PHE  27  20.233  11.632  11.610
  201    HB3  PHE  27           HB3      PHE  27  20.617  10.199  10.686
  202    HD1  PHE  27           HD1      PHE  27  22.979  10.509   9.267
  203    HD2  PHE  27           HD2      PHE  27  22.061  12.170  13.169
  204    HE1  PHE  27           HE1      PHE  27  25.384  10.544   9.834
  205    HE2  PHE  27           HE2      PHE  27  24.456  12.150  13.715
  206    HZ   PHE  27           HZ       PHE  27  26.130  11.359  12.064
  207    H    SER  28           H        SER  28  17.835  12.458   9.659
  208    HA   SER  28           HA       SER  28  17.064  10.011   8.232
  209    HB2  SER  28           HB2      SER  28  15.360  12.209   9.473
  210    HB3  SER  28           HB3      SER  28  14.794  10.636   8.877
  211    HG   SER  28           HG       SER  28  16.470  11.224  11.085
  212    H    MET  29           H        MET  29  17.796  13.225   7.225
  213    HA   MET  29           HA       MET  29  16.045  12.820   4.828
  214    HB2  MET  29           HB2      MET  29  17.062  15.363   6.080
  215    HB3  MET  29           HB3      MET  29  15.929  15.190   4.716
  216    HG2  MET  29           HG2      MET  29  15.069  14.098   7.361
  217    HG3  MET  29           HG3      MET  29  15.134  15.839   7.118
  218    HE1  MET  29           HE3      MET  29  13.054  12.773   6.771
  219    HE2  MET  29           HE1      MET  29  12.226  12.923   5.197
  220    HE3  MET  29           HE2      MET  29  13.993  12.641   5.246
  221    H    VAL  30           H        VAL  30  19.421  13.415   5.836
  222    HA   VAL  30           HA       VAL  30  20.260  14.713   3.547
  223    HB   VAL  30           HB       VAL  30  21.649  14.447   5.522
  224   HG11  VAL  30          HG11      VAL  30  22.172  11.570   4.638
  225   HG12  VAL  30          HG12      VAL  30  22.933  12.427   5.992
  226   HG13  VAL  30          HG13      VAL  30  21.208  12.045   6.055
  227   HG21  VAL  30          HG23      VAL  30  22.652  15.054   3.333
  228   HG22  VAL  30          HG21      VAL  30  23.796  14.183   4.374
  229   HG23  VAL  30          HG22      VAL  30  23.005  13.352   3.014
  230    H    SER  31           H        SER  31  19.796  11.157   3.942
  231    HA   SER  31           HA       SER  31  20.938  10.425   1.501
  232    HB2  SER  31           HB2      SER  31  18.554   9.128   2.891
  233    HB3  SER  31           HB3      SER  31  19.741   8.349   1.828
  234    HG   SER  31           HG       SER  31  20.545   7.916   3.753
  235    H    LEU  32           H        LEU  32  17.843  11.980   2.102
  236    HA   LEU  32           HA       LEU  32  16.817  11.378  -0.611
  237    HB2  LEU  32           HB2      LEU  32  15.702  12.836   1.832
  238    HB3  LEU  32           HB3      LEU  32  14.875  12.833   0.297
  239    HG   LEU  32           HG       LEU  32  15.575  10.323   1.877
  240   HD11  LEU  32          HD11      LEU  32  13.204  10.210   2.436
  241   HD12  LEU  32          HD12      LEU  32  13.875  11.746   2.995
  242   HD13  LEU  32          HD13      LEU  32  12.883  11.701   1.523
  243   HD21  LEU  32          HD23      LEU  32  13.830  10.684  -0.608
  244   HD22  LEU  32          HD21      LEU  32  15.378   9.809  -0.532
  245   HD23  LEU  32          HD22      LEU  32  13.985   9.192   0.334
  246    H    LEU  33           H        LEU  33  18.047  14.069   1.412
  247    HA   LEU  33           HA       LEU  33  17.792  16.173  -0.387
  248    HB2  LEU  33           HB2      LEU  33  18.496  16.304   2.001
  249    HB3  LEU  33           HB3      LEU  33  20.051  15.610   1.554
  250    HG   LEU  33           HG       LEU  33  20.521  17.625   0.125
  251   HD11  LEU  33          HD11      LEU  33  18.236  18.353  -0.361
  252   HD12  LEU  33          HD12      LEU  33  17.953  18.694   1.361
  253   HD13  LEU  33          HD13      LEU  33  19.145  19.631   0.428
  254   HD21  LEU  33          HD23      LEU  33  21.315  17.345   2.464
  255   HD22  LEU  33          HD21      LEU  33  21.111  19.021   1.976
  256   HD23  LEU  33          HD22      LEU  33  19.896  18.251   3.026
  257    H    ASP  34           H        ASP  34  20.376  13.745  -0.027
  258    HA   ASP  34           HA       ASP  34  22.248  14.799  -1.818
  259    HB2  ASP  34           HB2      ASP  34  22.783  13.150  -0.095
  260    HB3  ASP  34           HB3      ASP  34  21.736  11.951  -0.857
  261    H    LYS  35           H        LYS  35  19.480  12.661  -2.493
  262    HA   LYS  35           HA       LYS  35  20.325  12.566  -5.360
  263    HB2  LYS  35           HB2      LYS  35  17.777  11.329  -4.542
  264    HB3  LYS  35           HB3      LYS  35  18.927  10.814  -5.749
  265    HG2  LYS  35           HG2      LYS  35  19.049  10.416  -2.754
  266    HG3  LYS  35           HG3      LYS  35  18.717   9.183  -3.960
  267    HD2  LYS  35           HD2      LYS  35  20.995   9.228  -4.783
  268    HD3  LYS  35           HD3      LYS  35  21.387  10.623  -3.754
  269    HE2  LYS  35           HE2      LYS  35  20.651   9.247  -1.757
  270    HE3  LYS  35           HE3      LYS  35  20.564   7.836  -2.822
  271    HZ1  LYS  35           HZ3      LYS  35  22.712   7.963  -1.682
  272    HZ2  LYS  35           HZ1      LYS  35  22.934   8.129  -3.293
  273    HZ3  LYS  35           HZ2      LYS  35  23.006   9.458  -2.332
  274    H    ASN  36           H        ASN  36  19.208  14.952  -3.698
  275    HA   ASN  36           HA       ASN  36  17.703  16.524  -3.741
  276    HB2  ASN  36           HB2      ASN  36  17.199  17.668  -5.889
  277    HB3  ASN  36           HB3      ASN  36  18.867  17.496  -5.406
  278   HD21  ASN  36          HD22      ASN  36  20.198  15.951  -6.451
  279   HD22  ASN  36          HD21      ASN  36  19.877  15.459  -8.103
  280    H    TYR  37           H        TYR  37  16.400  14.199  -3.119
  281    HA   TYR  37           HA       TYR  37  13.778  14.142  -4.458
  282    HB2  TYR  37           HB2      TYR  37  14.857  13.133  -1.804
  283    HB3  TYR  37           HB3      TYR  37  13.146  13.127  -2.128
  284    HD1  TYR  37           HD1      TYR  37  12.102  11.562  -3.615
  285    HD2  TYR  37           HD2      TYR  37  16.362  11.452  -2.905
  286    HE1  TYR  37           HE1      TYR  37  12.251   9.401  -4.818
  287    HE2  TYR  37           HE2      TYR  37  16.483   9.274  -4.076
  288    HH   TYR  37           HH       TYR  37  13.622   7.682  -5.533
  289    H    ILE  38           H        ILE  38  15.433  16.198  -2.212
  290    HA   ILE  38           HA       ILE  38  13.073  17.866  -1.717
  291    HB   ILE  38           HB       ILE  38  13.688  17.950   0.708
  292   HG12  ILE  38          HG12      ILE  38  15.452  15.535   0.091
  293   HG13  ILE  38          HG13      ILE  38  16.026  17.162   0.472
  294   HG21  ILE  38          HG21      ILE  38  11.802  16.533  -0.026
  295   HG22  ILE  38          HG22      ILE  38  12.897  15.138  -0.152
  296   HG23  ILE  38          HG23      ILE  38  12.581  15.905   1.405
  297   HD11  ILE  38          HD13      ILE  38  15.044  16.981   2.727
  298   HD12  ILE  38          HD11      ILE  38  14.593  15.289   2.365
  299   HD13  ILE  38          HD12      ILE  38  16.296  15.775   2.349
  300    H    SER  39           H        SER  39  13.878  19.965  -0.641
  301    HA   SER  39           HA       SER  39  16.681  20.647  -1.390
  302    HB2  SER  39           HB2      SER  39  15.874  22.984  -1.272
  303    HB3  SER  39           HB3      SER  39  14.994  22.028  -2.474
  304    HG   SER  39           HG       SER  39  13.598  23.292  -1.193
  305    H    GLU  40           H        GLU  40  17.695  22.253   0.243
  306    HA   GLU  40           HA       GLU  40  17.902  20.914   2.733
  307    HB2  GLU  40           HB2      GLU  40  18.808  23.707   1.922
  308    HB3  GLU  40           HB3      GLU  40  19.319  22.848   3.383
  309    HG2  GLU  40           HG2      GLU  40  20.268  21.026   1.964
  310    HG3  GLU  40           HG3      GLU  40  19.827  21.918   0.518
  311    H    ASN  41           H        ASN  41  15.848  23.647   1.784
  312    HA   ASN  41           HA       ASN  41  15.103  24.537   4.414
  313    HB2  ASN  41           HB2      ASN  41  14.545  25.785   2.326
  314    HB3  ASN  41           HB3      ASN  41  13.481  24.471   1.811
  315   HD21  ASN  41          HD22      ASN  41  11.345  24.274   2.805
  316   HD22  ASN  41          HD21      ASN  41  10.765  25.508   3.896
  317    H    TYR  42           H        TYR  42  14.060  21.710   2.492
  318    HA   TYR  42           HA       TYR  42  11.622  21.221   3.850
  319    HB2  TYR  42           HB2      TYR  42  12.396  20.185   1.705
  320    HB3  TYR  42           HB3      TYR  42  13.565  19.237   2.622
  321    HD1  TYR  42           HD1      TYR  42   9.950  19.763   1.979
  322    HD2  TYR  42           HD2      TYR  42  12.920  17.291   3.892
  323    HE1  TYR  42           HE1      TYR  42   8.266  17.951   2.264
  324    HE2  TYR  42           HE2      TYR  42  11.257  15.492   4.175
  325    HH   TYR  42           HH       TYR  42   9.105  14.763   3.742
  326    H    ILE  43           H        ILE  43  14.981  20.133   4.553
  327    HA   ILE  43           HA       ILE  43  14.423  18.538   6.834
  328    HB   ILE  43           HB       ILE  43  16.846  20.224   6.034
  329   HG12  ILE  43          HG12      ILE  43  17.590  17.560   5.974
  330   HG13  ILE  43          HG13      ILE  43  15.897  17.458   5.486
  331   HG21  ILE  43          HG21      ILE  43  16.942  19.975   8.455
  332   HG22  ILE  43          HG22      ILE  43  16.712  18.212   8.302
  333   HG23  ILE  43          HG23      ILE  43  18.177  18.994   7.670
  334   HD11  ILE  43          HD13      ILE  43  16.349  19.019   3.629
  335   HD12  ILE  43          HD11      ILE  43  18.038  19.173   4.188
  336   HD13  ILE  43          HD12      ILE  43  17.439  17.614   3.592
  337    H    GLN  44           H        GLN  44  15.096  22.085   6.577
  338    HA   GLN  44           HA       GLN  44  14.819  22.363   9.410
  339    HB2  GLN  44           HB2      GLN  44  16.160  23.838   7.712
  340    HB3  GLN  44           HB3      GLN  44  14.649  24.700   7.492
  341    HG2  GLN  44           HG2      GLN  44  16.032  25.791   9.236
  342    HG3  GLN  44           HG3      GLN  44  14.583  25.135   9.983
  343   HE21  GLN  44          HE22      GLN  44  15.085  24.219  12.023
  344   HE22  GLN  44          HE21      GLN  44  16.491  23.235  12.342
  345    H    ALA  45           H        ALA  45  12.456  22.484   6.799
  346    HA   ALA  45           HA       ALA  45  10.361  23.749   8.221
  347    HB1  ALA  45           HB3      ALA  45   8.860  22.641   6.649
  348    HB2  ALA  45           HB1      ALA  45  10.298  23.224   5.780
  349    HB3  ALA  45           HB2      ALA  45  10.113  21.494   6.176
  350    H    ILE  46           H        ILE  46  11.397  20.272   8.126
  351    HA   ILE  46           HA       ILE  46   9.266  19.351   9.815
  352    HB   ILE  46           HB       ILE  46  12.071  18.202   9.480
  353   HG12  ILE  46          HG12      ILE  46   9.521  17.620   7.938
  354   HG13  ILE  46          HG13      ILE  46  10.951  18.390   7.289
  355   HG21  ILE  46          HG21      ILE  46   9.495  16.778  10.285
  356   HG22  ILE  46          HG22      ILE  46  11.168  16.155  10.295
  357   HG23  ILE  46          HG23      ILE  46  10.680  17.369  11.465
  358   HD11  ILE  46          HD13      ILE  46  10.964  16.138   6.536
  359   HD12  ILE  46          HD11      ILE  46  12.240  16.296   7.770
  360   HD13  ILE  46          HD12      ILE  46  10.701  15.497   8.158
  361    H    LYS  47           H        LYS  47  12.635  20.480  10.468
  362    HA   LYS  47           HA       LYS  47  12.503  20.044  13.265
  363    HB2  LYS  47           HB2      LYS  47  14.050  22.056  11.600
  364    HB3  LYS  47           HB3      LYS  47  14.342  21.819  13.326
  365    HG2  LYS  47           HG2      LYS  47  15.124  19.577  12.999
  366    HG3  LYS  47           HG3      LYS  47  14.589  19.548  11.305
  367    HD2  LYS  47           HD2      LYS  47  16.178  21.328  10.747
  368    HD3  LYS  47           HD3      LYS  47  16.734  21.376  12.446
  369    HE2  LYS  47           HE2      LYS  47  17.481  19.038  12.197
  370    HE3  LYS  47           HE3      LYS  47  17.012  19.054  10.501
  371    HZ1  LYS  47           HZ3      LYS  47  19.087  20.812  11.724
  372    HZ2  LYS  47           HZ1      LYS  47  19.377  19.538  10.759
  373    HZ3  LYS  47           HZ2      LYS  47  18.643  20.870  10.160
  374    H    ASP  48           H        ASP  48  11.494  22.903  11.291
  375    HA   ASP  48           HA       ASP  48  10.826  24.576  13.474
  376    HB2  ASP  48           HB2      ASP  48  11.062  25.449  11.229
  377    HB3  ASP  48           HB3      ASP  48   9.718  24.463  10.650
  378    H    SER  49           H        SER  49   8.750  22.203  11.648
  379    HA   SER  49           HA       SER  49   6.422  22.553  13.238
  380    HB2  SER  49           HB2      SER  49   7.487  20.030  11.897
  381    HB3  SER  49           HB3      SER  49   5.834  20.283  12.482
  382    HG   SER  49           HG       SER  49   6.044  20.717  10.238
  383    H    THR  50           H        THR  50   9.364  20.582  13.766
  384    HA   THR  50           HA       THR  50   8.440  19.271  16.096
  385    HB   THR  50           HB       THR  50  11.305  19.872  15.285
  386    HG1  THR  50           HG1      THR  50  10.169  18.798  13.637
  387   HG21  THR  50          HG23      THR  50  11.782  17.763  16.494
  388   HG22  THR  50          HG21      THR  50  11.195  19.049  17.554
  389   HG23  THR  50          HG22      THR  50  10.092  17.735  17.074
  390    H    ILE  51           H        ILE  51  10.206  22.413  15.734
  391    HA   ILE  51           HA       ILE  51  10.346  22.958  18.540
  392    HB   ILE  51           HB       ILE  51  10.227  24.784  16.102
  393   HG12  ILE  51          HG12      ILE  51  12.586  24.064  17.901
  394   HG13  ILE  51          HG13      ILE  51  12.205  23.198  16.422
  395   HG21  ILE  51          HG21      ILE  51  10.888  25.561  18.979
  396   HG22  ILE  51          HG22      ILE  51  11.067  26.612  17.557
  397   HG23  ILE  51          HG23      ILE  51   9.469  26.095  18.051
  398   HD11  ILE  51          HD13      ILE  51  13.026  26.115  16.601
  399   HD12  ILE  51          HD11      ILE  51  13.937  24.763  15.918
  400   HD13  ILE  51          HD12      ILE  51  12.456  25.315  15.115
  401    H    ASN  52           H        ASN  52   7.823  23.602  16.082
  402    HA   ASN  52           HA       ASN  52   6.215  25.256  17.771
  403    HB2  ASN  52           HB2      ASN  52   5.814  23.834  15.124
  404    HB3  ASN  52           HB3      ASN  52   4.411  24.466  15.943
  405   HD21  ASN  52          HD22      ASN  52   7.552  25.447  14.534
  406   HD22  ASN  52          HD21      ASN  52   7.129  27.132  14.351
  407    H    ASN  53           H        ASN  53   6.046  21.751  17.057
  408    HA   ASN  53           HA       ASN  53   3.768  21.513  18.992
  409    HB2  ASN  53           HB2      ASN  53   3.298  21.757  16.441
  410    HB3  ASN  53           HB3      ASN  53   4.003  20.151  16.287
  411   HD21  ASN  53          HD22      ASN  53   1.710  20.147  15.296
  412   HD22  ASN  53          HD21      ASN  53   0.421  19.580  16.335
  413    H    GLY  54           H        GLY  54   6.871  20.519  18.607
  414    HA2  GLY  54           HA2      GLY  54   8.042  18.681  19.418
  415    HA3  GLY  54           HA3      GLY  54   6.530  17.969  19.995
  416    HA   PRO  55           HA       PRO  55   7.878  15.771  16.057
  417    HB2  PRO  55           HB2      PRO  55   7.587  13.194  16.936
  418    HB3  PRO  55           HB3      PRO  55   9.084  14.135  17.153
  419    HG2  PRO  55           HG2      PRO  55   6.883  13.658  19.156
  420    HG3  PRO  55           HG3      PRO  55   8.654  13.606  19.398
  421    HD2  PRO  55           HD2      PRO  55   7.064  15.779  20.046
  422    HD3  PRO  55           HD3      PRO  55   8.765  15.970  19.550
  423    H    TYR  56           H        TYR  56   6.147  16.218  14.838
  424    HA   TYR  56           HA       TYR  56   3.469  15.815  15.903
  425    HB2  TYR  56           HB2      TYR  56   2.719  17.361  14.417
  426    HB3  TYR  56           HB3      TYR  56   4.323  17.936  14.803
  427    HD1  TYR  56           HD1      TYR  56   6.241  16.926  13.035
  428    HD2  TYR  56           HD2      TYR  56   2.044  17.564  12.223
  429    HE1  TYR  56           HE1      TYR  56   6.714  16.943  10.619
  430    HE2  TYR  56           HE2      TYR  56   2.526  17.649   9.800
  431    HH   TYR  56           HH       TYR  56   5.823  17.010   8.528
  432    H    TYR  57           H        TYR  57   5.412  13.713  14.332
  433    HA   TYR  57           HA       TYR  57   3.098  12.103  13.442
  434    HB2  TYR  57           HB2      TYR  57   5.588  12.700  11.871
  435    HB3  TYR  57           HB3      TYR  57   4.943  11.068  11.857
  436    HD1  TYR  57           HD2      TYR  57   4.121  14.590  10.968
  437    HD2  TYR  57           HD1      TYR  57   3.016  10.437  10.613
  438    HE1  TYR  57           HE2      TYR  57   2.533  15.171   9.159
  439    HE2  TYR  57           HE1      TYR  57   1.429  11.005   8.803
  440    HH   TYR  57           HH       TYR  57   0.945  14.378   7.651
  441    H    ILE  58           H        ILE  58   3.022  10.590  14.942
  442    HA   ILE  58           HA       ILE  58   5.360   9.134  15.926
  443    HB   ILE  58           HB       ILE  58   3.422  10.679  17.704
  444   HG12  ILE  58          HG12      ILE  58   5.522  11.870  17.047
  445   HG13  ILE  58          HG13      ILE  58   5.298  11.658  18.773
  446   HG21  ILE  58          HG21      ILE  58   5.186   8.313  18.474
  447   HG22  ILE  58          HG22      ILE  58   4.494   9.462  19.646
  448   HG23  ILE  58          HG23      ILE  58   3.430   8.473  18.649
  449   HD11  ILE  58          HD13      ILE  58   7.652  11.285  18.082
  450   HD12  ILE  58          HD11      ILE  58   6.959   9.852  18.830
  451   HD13  ILE  58          HD12      ILE  58   7.136   9.930  17.064
  452    H    LEU  59           H        LEU  59   4.734   7.019  16.063
  453    HA   LEU  59           HA       LEU  59   1.852   6.424  15.444
  454    HB2  LEU  59           HB2      LEU  59   4.322   5.319  14.124
  455    HB3  LEU  59           HB3      LEU  59   2.675   4.727  13.913
  456    HG   LEU  59           HG       LEU  59   2.336   7.482  13.544
  457   HD11  LEU  59          HD11      LEU  59   4.921   6.754  12.127
  458   HD12  LEU  59          HD12      LEU  59   4.017   8.283  12.023
  459   HD13  LEU  59          HD13      LEU  59   4.809   7.818  13.522
  460   HD21  LEU  59          HD23      LEU  59   2.755   5.450  11.364
  461   HD22  LEU  59          HD21      LEU  59   1.277   5.721  12.324
  462   HD23  LEU  59          HD22      LEU  59   1.889   7.002  11.266
  463    H    ALA  60           H        ALA  60   4.710   5.584  17.271
  464    HA   ALA  60           HA       ALA  60   3.195   3.823  18.930
  465    HB1  ALA  60           HB3      ALA  60   5.545   2.704  17.317
  466    HB2  ALA  60           HB1      ALA  60   4.833   1.894  18.715
  467    HB3  ALA  60           HB2      ALA  60   3.863   2.147  17.258
  468    HA   PRO  61           HA       PRO  61   6.181   5.691  21.710
  469    HB2  PRO  61           HB2      PRO  61   6.920   3.616  23.423
  470    HB3  PRO  61           HB3      PRO  61   5.428   4.597  23.557
  471    HG2  PRO  61           HG2      PRO  61   5.776   1.877  22.282
  472    HG3  PRO  61           HG3      PRO  61   4.468   2.437  23.374
  473    HD2  PRO  61           HD2      PRO  61   4.106   2.346  20.703
  474    HD3  PRO  61           HD3      PRO  61   3.459   3.716  21.648
  475    H    GLY  62           H        GLY  62   8.182   6.255  21.062
  476    HA2  GLY  62           HA2      GLY  62  10.446   5.980  20.631
  477    HA3  GLY  62           HA3      GLY  62  10.244   4.236  20.500
  478    H    VAL  63           H        VAL  63   7.858   5.692  18.493
  479    HA   VAL  63           HA       VAL  63   9.663   5.405  16.130
  480    HB   VAL  63           HB       VAL  63   6.862   4.262  16.334
  481   HG11  VAL  63          HG11      VAL  63   7.390   3.051  14.339
  482   HG12  VAL  63          HG12      VAL  63   7.995   4.699  14.075
  483   HG13  VAL  63          HG13      VAL  63   9.126   3.413  14.497
  484   HG21  VAL  63          HG23      VAL  63   9.478   2.780  16.873
  485   HG22  VAL  63          HG21      VAL  63   8.131   3.014  18.012
  486   HG23  VAL  63          HG22      VAL  63   7.901   2.007  16.596
  487    H    ALA  64           H        ALA  64   9.601   7.158  14.909
  488    HA   ALA  64           HA       ALA  64   7.162   8.871  14.824
  489    HB1  ALA  64           HB3      ALA  64  10.084   9.674  14.453
  490    HB2  ALA  64           HB1      ALA  64   8.679  10.763  14.451
  491    HB3  ALA  64           HB2      ALA  64   9.151   9.934  15.940
  492    H    MET  65           H        MET  65   6.928  10.041  12.749
  493    HA   MET  65           HA       MET  65   8.331   8.830  10.488
  494    HB2  MET  65           HB2      MET  65   6.266   7.564  10.673
  495    HB3  MET  65           HB3      MET  65   5.348   9.071  10.449
  496    HG2  MET  65           HG2      MET  65   7.011   9.083   8.253
  497    HG3  MET  65           HG3      MET  65   6.806   7.355   8.515
  498    HE1  MET  65           HE3      MET  65   2.788   7.151   8.341
  499    HE2  MET  65           HE1      MET  65   4.270   6.248   8.733
  500    HE3  MET  65           HE2      MET  65   3.693   7.552   9.813
  501    HA   PRO  66           HA       PRO  66   8.102  13.466  11.385
  502    HB2  PRO  66           HB2      PRO  66  10.573  13.350   9.627
  503    HB3  PRO  66           HB3      PRO  66  10.194  14.406  11.039
  504    HG2  PRO  66           HG2      PRO  66  11.690  12.197  11.372
  505    HG3  PRO  66           HG3      PRO  66  10.427  12.636  12.568
  506    HD2  PRO  66           HD2      PRO  66  10.314  10.571  10.380
  507    HD3  PRO  66           HD3      PRO  66   9.689  10.495  12.046
  508    H    HIS  67           H        HIS  67   9.390  13.411   8.085
  509    HA   HIS  67           HA       HIS  67   8.770  14.423   6.173
  510    HB2  HIS  67           HB2      HIS  67   7.361  12.672   5.778
  511    HB3  HIS  67           HB3      HIS  67   6.277  13.057   7.085
  512    HD1  HIS  67           HD1      HIS  67   4.329  14.782   6.663
  513    HD2  HIS  67           HD2      HIS  67   6.709  13.835   3.301
  514    HE1  HIS  67           HE1      HIS  67   3.013  15.497   4.606
  515    H    ALA  68           H        ALA  68   7.501  16.172   5.041
  516    HA   ALA  68           HA       ALA  68   6.155  18.184   6.680
  517    HB1  ALA  68           HB3      ALA  68   8.376  19.122   6.824
  518    HB2  ALA  68           HB1      ALA  68   8.687  18.800   5.101
  519    HB3  ALA  68           HB2      ALA  68   7.491  20.012   5.594
  520    H    ARG  69           H        ARG  69   4.875  19.570   5.271
  521    HA   ARG  69           HA       ARG  69   3.537  18.180   3.241
  522    HB2  ARG  69           HB2      ARG  69   3.931  21.163   3.669
  523    HB3  ARG  69           HB3      ARG  69   2.857  20.495   2.431
  524    HG2  ARG  69           HG2      ARG  69   1.503  19.398   4.228
  525    HG3  ARG  69           HG3      ARG  69   2.524  20.221   5.444
  526    HD2  ARG  69           HD2      ARG  69   1.990  22.412   4.369
  527    HD3  ARG  69           HD3      ARG  69   0.967  21.567   3.190
  528    HE   ARG  69           HE       ARG  69   0.069  20.979   5.830
  529   HH11  ARG  69          HH11      ARG  69   0.183  23.609   3.419
  530   HH12  ARG  69          HH12      ARG  69  -1.243  24.396   4.017
  531   HH21  ARG  69          HH21      ARG  69  -1.839  22.038   6.611
  532   HH22  ARG  69          HH22      ARG  69  -2.415  23.479   5.864
  533    HA   PRO  70           HA       PRO  70   6.160  18.124  -0.345
  534    HB2  PRO  70           HB2      PRO  70   3.694  19.263  -1.742
  535    HB3  PRO  70           HB3      PRO  70   4.811  18.011  -2.337
  536    HG2  PRO  70           HG2      PRO  70   2.457  17.304  -1.201
  537    HG3  PRO  70           HG3      PRO  70   3.941  16.408  -0.749
  538    HD2  PRO  70           HD2      PRO  70   2.507  18.562   0.793
  539    HD3  PRO  70           HD3      PRO  70   3.317  17.079   1.382
  540    H    GLU  71           H        GLU  71   4.053  21.037   0.001
  541    HA   GLU  71           HA       GLU  71   5.512  22.820  -1.576
  542    HB2  GLU  71           HB2      GLU  71   4.184  24.547  -0.581
  543    HB3  GLU  71           HB3      GLU  71   3.174  23.120  -0.795
  544    HG2  GLU  71           HG2      GLU  71   3.464  22.571   1.621
  545    HG3  GLU  71           HG3      GLU  71   4.434  24.024   1.840
  546    H    CYS  72           H        CYS  72   6.577  21.512   1.409
  547    HA   CYS  72           HA       CYS  72   8.019  23.896   2.333
  548    HB2  CYS  72           HB2      CYS  72   8.087  20.992   3.275
  549    HB3  CYS  72           HB3      CYS  72   8.884  22.363   4.060
  550    HG   CYS  72           HG       CYS  72   5.683  21.901   3.436
  551    H    GLY  73           H        GLY  73   8.557  21.753  -0.200
  552    HA2  GLY  73           HA2      GLY  73  10.620  22.459  -1.418
  553    HA3  GLY  73           HA3      GLY  73  11.533  22.059   0.041
  554    H    ALA  74           H        ALA  74   8.825  19.931  -0.866
  555    HA   ALA  74           HA       ALA  74  10.704  17.743  -1.385
  556    HB1  ALA  74           HB3      ALA  74   8.743  16.423  -1.836
  557    HB2  ALA  74           HB1      ALA  74   8.480  17.334  -0.335
  558    HB3  ALA  74           HB2      ALA  74   7.725  17.874  -1.866
  559    H    LEU  75           H        LEU  75  11.076  16.812  -3.383
  560    HA   LEU  75           HA       LEU  75  10.371  18.402  -5.816
  561    HB2  LEU  75           HB2      LEU  75  13.043  17.138  -5.109
  562    HB3  LEU  75           HB3      LEU  75  12.678  17.980  -6.604
  563    HG   LEU  75           HG       LEU  75  12.714  19.276  -3.842
  564   HD11  LEU  75          HD11      LEU  75  14.950  18.526  -4.543
  565   HD12  LEU  75          HD12      LEU  75  14.772  19.387  -6.083
  566   HD13  LEU  75          HD13      LEU  75  14.835  20.290  -4.550
  567   HD21  LEU  75          HD23      LEU  75  12.538  20.528  -6.624
  568   HD22  LEU  75          HD21      LEU  75  11.238  20.491  -5.417
  569   HD23  LEU  75          HD22      LEU  75  12.705  21.415  -5.091
  570    H    LYS  76           H        LYS  76  11.112  15.232  -4.373
  571    HA   LYS  76           HA       LYS  76   9.761  13.899  -6.606
  572    HB2  LYS  76           HB2      LYS  76  12.363  12.895  -5.427
  573    HB3  LYS  76           HB3      LYS  76  11.482  12.187  -6.776
  574    HG2  LYS  76           HG2      LYS  76  12.111  14.117  -8.192
  575    HG3  LYS  76           HG3      LYS  76  12.883  14.904  -6.801
  576    HD2  LYS  76           HD2      LYS  76  14.436  12.936  -6.594
  577    HD3  LYS  76           HD3      LYS  76  13.796  12.336  -8.144
  578    HE2  LYS  76           HE2      LYS  76  14.483  14.431  -9.255
  579    HE3  LYS  76           HE3      LYS  76  14.963  15.124  -7.700
  580    HZ1  LYS  76           HZ3      LYS  76  16.875  14.395  -8.798
  581    HZ2  LYS  76           HZ1      LYS  76  16.674  13.398  -7.538
  582    HZ3  LYS  76           HZ2      LYS  76  16.304  12.869  -9.061
  583    H    THR  77           H        THR  77   9.044  11.627  -5.846
  584    HA   THR  77           HA       THR  77   8.410  11.740  -3.028
  585    HB   THR  77           HB       THR  77   7.378  10.184  -5.410
  586    HG1  THR  77           HG1      THR  77   5.995  11.705  -5.582
  587   HG21  THR  77          HG23      THR  77   7.040   8.896  -3.348
  588   HG22  THR  77          HG21      THR  77   6.305  10.321  -2.568
  589   HG23  THR  77          HG22      THR  77   5.511   9.527  -3.960
  590    H    GLY  78           H        GLY  78   9.437  10.487  -1.513
  591    HA2  GLY  78           HA2      GLY  78  10.498   7.868  -2.023
  592    HA3  GLY  78           HA3      GLY  78  11.783   9.083  -1.970
  593    H    MET  79           H        MET  79  12.134   7.384  -0.027
  594    HA   MET  79           HA       MET  79  11.116   8.552   2.500
  595    HB2  MET  79           HB2      MET  79  10.826   5.675   1.550
  596    HB3  MET  79           HB3      MET  79  10.668   6.142   3.241
  597    HG2  MET  79           HG2      MET  79   8.720   7.439   2.843
  598    HG3  MET  79           HG3      MET  79   8.889   7.296   1.089
  599    HE1  MET  79           HE3      MET  79   6.025   6.467   2.176
  600    HE2  MET  79           HE1      MET  79   6.709   6.486   0.539
  601    HE3  MET  79           HE2      MET  79   5.892   5.029   1.138
  602    H    SER  80           H        SER  80  12.177   7.467   4.390
  603    HA   SER  80           HA       SER  80  14.796   6.248   3.929
  604    HB2  SER  80           HB2      SER  80  15.762   8.058   5.538
  605    HB3  SER  80           HB3      SER  80  15.563   8.453   3.825
  606    HG   SER  80           HG       SER  80  14.770   9.995   5.488
  607    H    LEU  81           H        LEU  81  15.779   5.625   6.068
  608    HA   LEU  81           HA       LEU  81  13.792   4.973   8.148
  609    HB2  LEU  81           HB2      LEU  81  13.802   3.258   6.277
  610    HB3  LEU  81           HB3      LEU  81  15.500   2.968   6.569
  611    HG   LEU  81           HG       LEU  81  15.059   1.993   8.725
  612   HD11  LEU  81          HD11      LEU  81  12.705   1.673   9.521
  613   HD12  LEU  81          HD12      LEU  81  13.231   3.369   9.563
  614   HD13  LEU  81          HD13      LEU  81  12.204   2.790   8.234
  615   HD21  LEU  81          HD23      LEU  81  14.628   0.704   6.521
  616   HD22  LEU  81          HD21      LEU  81  13.800   0.042   7.954
  617   HD23  LEU  81          HD22      LEU  81  12.919   1.032   6.782
  618    H    THR  82           H        THR  82  14.993   6.277   9.643
  619    HA   THR  82           HA       THR  82  17.841   5.562  10.130
  620    HB   THR  82           HB       THR  82  16.138   7.706  11.466
  621    HG1  THR  82           HG1      THR  82  16.667   9.050   9.966
  622   HG21  THR  82          HG23      THR  82  18.368   8.796  11.840
  623   HG22  THR  82          HG21      THR  82  18.220   7.249  12.677
  624   HG23  THR  82          HG22      THR  82  19.163   7.347  11.176
  625    H    LEU  83           H        LEU  83  18.480   4.637  12.105
  626    HA   LEU  83           HA       LEU  83  16.434   4.342  14.216
  627    HB2  LEU  83           HB2      LEU  83  16.683   2.117  12.987
  628    HB3  LEU  83           HB3      LEU  83  18.402   2.170  13.364
  629    HG   LEU  83           HG       LEU  83  17.661   2.312  15.860
  630   HD11  LEU  83          HD11      LEU  83  15.500   1.304  16.400
  631   HD12  LEU  83          HD12      LEU  83  15.258   2.765  15.435
  632   HD13  LEU  83          HD13      LEU  83  15.091   1.150  14.682
  633   HD21  LEU  83          HD23      LEU  83  17.105  -0.195  14.249
  634   HD22  LEU  83          HD21      LEU  83  18.708   0.318  14.831
  635   HD23  LEU  83          HD22      LEU  83  17.450  -0.146  15.991
  636    H    LEU  84           H        LEU  84  17.296   4.816  16.177
  637    HA   LEU  84           HA       LEU  84  20.230   5.350  16.471
  638    HB2  LEU  84           HB2      LEU  84  17.858   6.686  17.858
  639    HB3  LEU  84           HB3      LEU  84  19.538   6.872  18.318
  640    HG   LEU  84           HG       LEU  84  19.166   8.819  17.231
  641   HD11  LEU  84          HD11      LEU  84  20.347   8.836  15.129
  642   HD12  LEU  84          HD12      LEU  84  21.061   7.558  16.137
  643   HD13  LEU  84          HD13      LEU  84  19.929   7.150  14.822
  644   HD21  LEU  84          HD23      LEU  84  16.884   8.365  16.507
  645   HD22  LEU  84          HD21      LEU  84  17.815   9.155  15.222
  646   HD23  LEU  84          HD22      LEU  84  17.477   7.413  15.132
  647    H    GLU  85           H        GLU  85  21.003   3.636  17.705
  648    HA   GLU  85           HA       GLU  85  19.215   1.867  18.991
  649    HB2  GLU  85           HB2      GLU  85  22.209   2.196  18.956
  650    HB3  GLU  85           HB3      GLU  85  21.502   1.074  20.116
  651    HG2  GLU  85           HG2      GLU  85  20.800   0.942  17.158
  652    HG3  GLU  85           HG3      GLU  85  22.213   0.138  17.835
  653    H    GLN  86           H        GLN  86  20.984   4.625  20.269
  654    HA   GLN  86           HA       GLN  86  20.084   4.144  23.038
  655    HB2  GLN  86           HB2      GLN  86  21.435   6.507  21.681
  656    HB3  GLN  86           HB3      GLN  86  21.111   6.426  23.399
  657    HG2  GLN  86           HG2      GLN  86  22.835   4.389  21.926
  658    HG3  GLN  86           HG3      GLN  86  23.469   5.789  22.786
  659   HE21  GLN  86          HE22      GLN  86  22.620   2.489  23.112
  660   HE22  GLN  86          HE21      GLN  86  22.620   2.406  24.855
  661    H    GLY  87           H        GLY  87  18.695   5.445  20.176
  662    HA2  GLY  87           HA2      GLY  87  16.907   6.787  19.741
  663    HA3  GLY  87           HA3      GLY  87  16.465   6.750  21.451
  664    H    VAL  88           H        VAL  88  16.055   9.135  20.310
  665    HA   VAL  88           HA       VAL  88  17.876  10.729  21.906
  666    HB   VAL  88           HB       VAL  88  18.509  10.682  19.251
  667   HG11  VAL  88          HG11      VAL  88  17.691  12.610  18.105
  668   HG12  VAL  88          HG12      VAL  88  16.343  11.525  18.518
  669   HG13  VAL  88          HG13      VAL  88  16.611  13.037  19.431
  670   HG21  VAL  88          HG23      VAL  88  18.733  13.086  21.066
  671   HG22  VAL  88          HG21      VAL  88  19.812  11.664  21.018
  672   HG23  VAL  88          HG22      VAL  88  19.709  12.738  19.618
  673    H    TYR  89           H        TYR  89  16.725  12.997  22.198
  674    HA   TYR  89           HA       TYR  89  13.879  12.195  22.561
  675    HB2  TYR  89           HB2      TYR  89  15.336  12.298  24.594
  676    HB3  TYR  89           HB3      TYR  89  15.378  14.042  24.393
  677    HD1  TYR  89           HD1      TYR  89  12.059  13.002  23.351
  678    HD2  TYR  89           HD2      TYR  89  14.557  13.493  26.867
  679    HE1  TYR  89           HE1      TYR  89  10.083  13.137  24.745
  680    HE2  TYR  89           HE2      TYR  89  12.524  13.648  28.268
  681    HH   TYR  89           HH       TYR  89   9.217  13.513  26.835
  682    H    PHE  90           H        PHE  90  12.760  13.078  21.001
  683    HA   PHE  90           HA       PHE  90  13.166  15.725  19.933
  684    HB2  PHE  90           HB2      PHE  90  11.091  13.530  19.808
  685    HB3  PHE  90           HB3      PHE  90  10.710  15.139  19.199
  686    HD1  PHE  90           HD2      PHE  90  13.610  12.680  18.857
  687    HD2  PHE  90           HD1      PHE  90  10.996  15.543  16.953
  688    HE1  PHE  90           HE2      PHE  90  14.830  12.396  16.732
  689    HE2  PHE  90           HE1      PHE  90  12.205  15.225  14.828
  690    HZ   PHE  90           HZ       PHE  90  14.162  13.702  14.717
  691    HA   PRO  91           HA       PRO  91  11.639  17.924  23.313
  692    HB2  PRO  91           HB2      PRO  91  10.497  20.195  22.210
  693    HB3  PRO  91           HB3      PRO  91  12.255  19.875  22.301
  694    HG2  PRO  91           HG2      PRO  91  10.387  19.371  19.973
  695    HG3  PRO  91           HG3      PRO  91  11.994  20.169  19.950
  696    HD2  PRO  91           HD2      PRO  91  11.722  17.555  19.279
  697    HD3  PRO  91           HD3      PRO  91  13.115  18.100  20.258
  698    H    GLY  92           H        GLY  92   9.951  17.894  24.675
  699    HA2  GLY  92           HA2      GLY  92   7.856  17.954  25.520
  700    HA3  GLY  92           HA3      GLY  92   7.284  18.506  23.942
  701    H    ASN  93           H        ASN  93   8.774  15.481  23.394
  702    HA   ASN  93           HA       ASN  93   6.175  14.221  23.085
  703    HB2  ASN  93           HB2      ASN  93   8.227  13.968  21.571
  704    HB3  ASN  93           HB3      ASN  93   8.925  12.950  22.820
  705   HD21  ASN  93          HD22      ASN  93   8.743  10.855  22.097
  706   HD22  ASN  93          HD21      ASN  93   7.296  10.175  21.364
  707    H    ASP  94           H        ASP  94   5.801  11.950  23.998
  708    HA   ASP  94           HA       ASP  94   5.998  12.015  26.832
  709    HB2  ASP  94           HB2      ASP  94   4.222  10.816  25.604
  710    HB3  ASP  94           HB3      ASP  94   5.416   9.655  25.012
  711    H    GLU  95           H        GLU  95   7.932  10.278  24.401
  712    HA   GLU  95           HA       GLU  95  10.115   9.974  26.320
  713    HB2  GLU  95           HB2      GLU  95  10.076   7.660  26.380
  714    HB3  GLU  95           HB3      GLU  95   8.363   8.075  26.362
  715    HG2  GLU  95           HG2      GLU  95   8.239   7.547  23.950
  716    HG3  GLU  95           HG3      GLU  95   9.955   7.110  23.985
  717    HA   PRO  96           HA       PRO  96  12.904  10.387  22.900
  718    HB2  PRO  96           HB2      PRO  96  14.076   7.679  23.534
  719    HB3  PRO  96           HB3      PRO  96  14.925   9.231  23.267
  720    HG2  PRO  96           HG2      PRO  96  14.578   8.291  25.776
  721    HG3  PRO  96           HG3      PRO  96  14.298  10.031  25.430
  722    HD2  PRO  96           HD2      PRO  96  12.249   7.809  25.659
  723    HD3  PRO  96           HD3      PRO  96  12.225   9.449  26.385
  724    H    ILE  97           H        ILE  97  13.552   9.579  20.788
  725    HA   ILE  97           HA       ILE  97  11.661   7.592  19.588
  726    HB   ILE  97           HB       ILE  97  13.219   9.869  18.289
  727   HG12  ILE  97          HG12      ILE  97  11.621  10.979  19.629
  728   HG13  ILE  97          HG13      ILE  97  10.999  10.985  17.991
  729   HG21  ILE  97          HG21      ILE  97  12.779   8.061  16.711
  730   HG22  ILE  97          HG22      ILE  97  11.069   8.011  17.185
  731   HG23  ILE  97          HG23      ILE  97  11.731   9.428  16.349
  732   HD11  ILE  97          HD13      ILE  97  10.051   9.199  20.287
  733   HD12  ILE  97          HD11      ILE  97   9.218  10.564  19.563
  734   HD13  ILE  97          HD12      ILE  97   9.460   9.081  18.610
  735    H    LYS  98           H        LYS  98  12.579   5.723  18.989
  736    HA   LYS  98           HA       LYS  98  15.540   5.601  18.650
  737    HB2  LYS  98           HB2      LYS  98  13.433   3.417  18.914
  738    HB3  LYS  98           HB3      LYS  98  15.057   3.146  18.269
  739    HG2  LYS  98           HG2      LYS  98  15.957   4.257  20.417
  740    HG3  LYS  98           HG3      LYS  98  14.323   4.106  21.060
  741    HD2  LYS  98           HD2      LYS  98  15.788   2.302  21.820
  742    HD3  LYS  98           HD3      LYS  98  14.465   1.640  20.846
  743    HE2  LYS  98           HE2      LYS  98  15.889   1.194  18.992
  744    HE3  LYS  98           HE3      LYS  98  17.115   2.333  19.553
  745    HZ1  LYS  98           HZ3      LYS  98  17.786   0.025  19.856
  746    HZ2  LYS  98           HZ1      LYS  98  17.747   0.851  21.263
  747    HZ3  LYS  98           HZ2      LYS  98  16.546  -0.232  20.911
  748    H    LEU  99           H        LEU  99  12.446   5.505  16.790
  749    HA   LEU  99           HA       LEU  99  14.199   5.228  14.384
  750    HB2  LEU  99           HB2      LEU  99  12.942   3.101  15.005
  751    HB3  LEU  99           HB3      LEU  99  11.455   3.995  14.743
  752    HG   LEU  99           HG       LEU  99  12.856   4.438  12.330
  753   HD11  LEU  99          HD11      LEU  99  13.419   1.587  13.074
  754   HD12  LEU  99          HD12      LEU  99  13.770   2.414  11.552
  755   HD13  LEU  99          HD13      LEU  99  14.583   2.922  13.019
  756   HD21  LEU  99          HD23      LEU  99  11.280   2.814  11.358
  757   HD22  LEU  99          HD21      LEU  99  10.724   2.453  13.011
  758   HD23  LEU  99          HD22      LEU  99  10.565   4.089  12.359
  759    H    LEU 100           H        LEU 100  13.677   6.177  12.571
  760    HA   LEU 100           HA       LEU 100  11.402   8.104  12.547
  761    HB2  LEU 100           HB2      LEU 100  14.185   8.849  11.564
  762    HB3  LEU 100           HB3      LEU 100  12.750   9.845  11.633
  763    HG   LEU 100           HG       LEU 100  12.938   9.302  14.263
  764   HD11  LEU 100          HD11      LEU 100  15.856   9.225  13.371
  765   HD12  LEU 100          HD12      LEU 100  15.238   9.235  15.037
  766   HD13  LEU 100          HD13      LEU 100  14.994   7.818  14.014
  767   HD21  LEU 100          HD23      LEU 100  14.265  11.375  14.522
  768   HD22  LEU 100          HD21      LEU 100  14.613  11.362  12.782
  769   HD23  LEU 100          HD22      LEU 100  12.940  11.547  13.363
  770    H    ILE 101           H        ILE 101  10.191   7.268  10.909
  771    HA   ILE 101           HA       ILE 101  11.593   6.339   8.445
  772    HB   ILE 101           HB       ILE 101   8.686   6.067   9.339
  773   HG12  ILE 101          HG12      ILE 101  11.032   4.375   9.313
  774   HG13  ILE 101          HG13      ILE 101   9.453   4.135  10.027
  775   HG21  ILE 101          HG21      ILE 101   8.693   6.974   7.036
  776   HG22  ILE 101          HG22      ILE 101   9.738   5.638   6.529
  777   HG23  ILE 101          HG23      ILE 101   8.090   5.356   7.177
  778   HD11  ILE 101          HD13      ILE 101   8.606   3.289   7.842
  779   HD12  ILE 101          HD11      ILE 101  10.255   3.461   7.177
  780   HD13  ILE 101          HD12      ILE 101   9.932   2.327   8.505
  781    H    GLY 102           H        GLY 102  12.130   7.893   7.037
  782    HA2  GLY 102           HA2      GLY 102  10.774  10.544   7.163
  783    HA3  GLY 102           HA3      GLY 102  12.202  10.148   6.213
  784    H    LEU 103           H        LEU 103   9.732  11.360   5.276
  785    HA   LEU 103           HA       LEU 103   9.304   9.694   2.928
  786    HB2  LEU 103           HB2      LEU 103   7.366   9.248   4.646
  787    HB3  LEU 103           HB3      LEU 103   6.927  10.912   4.379
  788    HG   LEU 103           HG       LEU 103   6.697   8.545   2.445
  789   HD11  LEU 103          HD11      LEU 103   4.344   9.197   2.609
  790   HD12  LEU 103          HD12      LEU 103   4.954   9.248   4.265
  791   HD13  LEU 103          HD13      LEU 103   4.743  10.742   3.369
  792   HD21  LEU 103          HD23      LEU 103   6.491  11.511   1.757
  793   HD22  LEU 103          HD21      LEU 103   7.400  10.199   0.918
  794   HD23  LEU 103          HD22      LEU 103   5.656  10.266   0.853
  795    H    SER 104           H        SER 104   9.109  11.140   1.178
  796    HA   SER 104           HA       SER 104   8.465  13.966   1.604
  797    HB2  SER 104           HB2      SER 104  10.891  13.099  -0.029
  798    HB3  SER 104           HB3      SER 104  10.354  14.752   0.347
  799    HG   SER 104           HG       SER 104  10.632  13.494   2.642
  800    H    ALA 105           H        ALA 105   7.318  14.736  -0.281
  801    HA   ALA 105           HA       ALA 105   6.793  12.728  -2.397
  802    HB1  ALA 105           HB3      ALA 105   4.730  13.895  -0.493
  803    HB2  ALA 105           HB1      ALA 105   4.361  12.987  -1.972
  804    HB3  ALA 105           HB2      ALA 105   5.198  12.180  -0.630
  805    H    ALA 106           H        ALA 106   6.301  13.675  -4.324
  806    HA   ALA 106           HA       ALA 106   6.842  16.500  -4.509
  807    HB1  ALA 106           HB3      ALA 106   6.647  16.104  -6.948
  808    HB2  ALA 106           HB1      ALA 106   7.669  14.873  -6.186
  809    HB3  ALA 106           HB2      ALA 106   5.994  14.481  -6.643
  810    H    ASP 107           H        ASP 107   3.922  14.539  -4.392
  811    HA   ASP 107           HA       ASP 107   2.249  16.988  -4.649
  812    HB2  ASP 107           HB2      ASP 107   2.305  15.986  -6.899
  813    HB3  ASP 107           HB3      ASP 107   1.839  14.422  -6.235
  814    H    ALA 108           H        ALA 108   0.080  16.684  -3.719
  815    HA   ALA 108           HA       ALA 108   0.160  15.402  -1.228
  816    HB1  ALA 108           HB3      ALA 108  -2.255  16.345  -2.826
  817    HB2  ALA 108           HB1      ALA 108  -2.227  15.997  -1.085
  818    HB3  ALA 108           HB2      ALA 108  -1.269  17.345  -1.728
  819    H    ASP 109           H        ASP 109  -1.095  14.155  -4.348
  820    HA   ASP 109           HA       ASP 109  -2.364  11.851  -3.034
  821    HB2  ASP 109           HB2      ASP 109  -3.293  12.622  -5.082
  822    HB3  ASP 109           HB3      ASP 109  -1.734  12.447  -5.924
  823    H    SER 110           H        SER 110   0.780  12.586  -4.515
  824    HA   SER 110           HA       SER 110   1.847   9.923  -4.362
  825    HB2  SER 110           HB2      SER 110   3.434  12.505  -4.042
  826    HB3  SER 110           HB3      SER 110   3.985  10.943  -4.635
  827    HG   SER 110           HG       SER 110   2.662  11.211  -6.460
  828    H    HIS 111           H        HIS 111   1.713  12.672  -2.042
  829    HA   HIS 111           HA       HIS 111   3.004  11.423   0.150
  830    HB2  HIS 111           HB2      HIS 111   2.622  13.733   0.353
  831    HB3  HIS 111           HB3      HIS 111   0.955  13.607  -0.140
  832    HD1  HIS 111           HD1      HIS 111   3.065  13.331   3.023
  833    HD2  HIS 111           HD2      HIS 111  -0.911  13.104   1.657
  834    HE1  HIS 111           HE1      HIS 111   1.588  13.302   5.097
  835    H    ILE 112           H        ILE 112  -0.508  11.414  -0.728
  836    HA   ILE 112           HA       ILE 112  -1.371   9.783   1.412
  837    HB   ILE 112           HB       ILE 112  -2.352  10.183  -1.444
  838   HG12  ILE 112          HG12      ILE 112  -2.493  12.090   0.229
  839   HG13  ILE 112          HG13      ILE 112  -3.967  11.648  -0.613
  840   HG21  ILE 112          HG21      ILE 112  -3.722   8.512   0.671
  841   HG22  ILE 112          HG22      ILE 112  -4.525   9.175  -0.778
  842   HG23  ILE 112          HG23      ILE 112  -3.203   8.022  -0.956
  843   HD11  ILE 112          HD13      ILE 112  -4.821  10.539   1.370
  844   HD12  ILE 112          HD11      ILE 112  -3.270  10.780   2.218
  845   HD13  ILE 112          HD12      ILE 112  -4.284  12.177   1.777
  846    H    GLY 113           H        GLY 113  -0.385   8.692  -1.923
  847    HA2  GLY 113           HA2      GLY 113  -0.732   5.940  -1.419
  848    HA3  GLY 113           HA3      GLY 113   0.363   6.640  -2.628
  849    H    ALA 114           H        ALA 114   2.073   8.050  -0.839
  850    HA   ALA 114           HA       ALA 114   3.951   5.997  -0.125
  851    HB1  ALA 114           HB3      ALA 114   5.211   8.023   0.694
  852    HB2  ALA 114           HB1      ALA 114   4.634   8.189  -0.964
  853    HB3  ALA 114           HB2      ALA 114   3.791   9.008   0.362
  854    H    ILE 115           H        ILE 115   1.917   8.256   1.885
  855    HA   ILE 115           HA       ILE 115   2.715   7.381   4.406
  856    HB   ILE 115           HB       ILE 115   0.336   8.568   3.159
  857   HG12  ILE 115          HG12      ILE 115   2.288  10.035   3.592
  858   HG13  ILE 115          HG13      ILE 115   0.810  10.567   4.371
  859   HG21  ILE 115          HG21      ILE 115   0.307   7.717   6.009
  860   HG22  ILE 115          HG22      ILE 115  -0.750   9.008   5.332
  861   HG23  ILE 115          HG23      ILE 115  -0.842   7.373   4.688
  862   HD11  ILE 115          HD13      ILE 115   1.596   9.722   6.543
  863   HD12  ILE 115          HD11      ILE 115   3.060   9.082   5.762
  864   HD13  ILE 115          HD12      ILE 115   2.781  10.831   5.828
  865    H    GLN 116           H        GLN 116   0.176   6.178   2.148
  866    HA   GLN 116           HA       GLN 116  -0.847   4.171   3.919
  867    HB2  GLN 116           HB2      GLN 116  -1.056   4.661   0.922
  868    HB3  GLN 116           HB3      GLN 116  -1.881   3.316   1.714
  869    HG2  GLN 116           HG2      GLN 116  -2.200   6.229   2.515
  870    HG3  GLN 116           HG3      GLN 116  -3.280   5.396   1.401
  871   HE21  GLN 116          HE22      GLN 116  -3.330   6.508   4.437
  872   HE22  GLN 116          HE21      GLN 116  -4.220   5.250   5.250
  873    H    ALA 117           H        ALA 117   2.165   4.228   2.205
  874    HA   ALA 117           HA       ALA 117   2.299   1.313   2.121
  875    HB1  ALA 117           HB3      ALA 117   3.299   2.725   0.233
  876    HB2  ALA 117           HB1      ALA 117   4.463   3.345   1.413
  877    HB3  ALA 117           HB2      ALA 117   4.434   1.622   1.008
  878    H    LEU 118           H        LEU 118   3.516   4.202   3.799
  879    HA   LEU 118           HA       LEU 118   5.213   2.716   5.553
  880    HB2  LEU 118           HB2      LEU 118   3.977   5.505   5.787
  881    HB3  LEU 118           HB3      LEU 118   5.249   4.871   6.853
  882    HG   LEU 118           HG       LEU 118   5.430   5.113   3.835
  883   HD11  LEU 118          HD11      LEU 118   5.343   7.273   4.914
  884   HD12  LEU 118          HD12      LEU 118   6.603   6.831   6.066
  885   HD13  LEU 118          HD13      LEU 118   7.000   6.982   4.342
  886   HD21  LEU 118          HD23      LEU 118   8.024   4.877   4.764
  887   HD22  LEU 118          HD21      LEU 118   7.179   3.834   5.920
  888   HD23  LEU 118          HD22      LEU 118   7.041   3.531   4.188
  889    H    SER 119           H        SER 119   1.808   3.640   5.754
  890    HA   SER 119           HA       SER 119   1.336   2.831   8.396
  891    HB2  SER 119           HB2      SER 119  -0.446   2.385   5.958
  892    HB3  SER 119           HB3      SER 119  -0.978   2.424   7.647
  893    HG   SER 119           HG       SER 119   0.239   4.589   6.216
  894    H    GLU 120           H        GLU 120   2.309   0.745   5.706
  895    HA   GLU 120           HA       GLU 120   1.331  -1.694   6.909
  896    HB2  GLU 120           HB2      GLU 120   3.408  -1.321   4.733
  897    HB3  GLU 120           HB3      GLU 120   2.668  -2.838   5.194
  898    HG2  GLU 120           HG2      GLU 120   1.062  -0.471   4.179
  899    HG3  GLU 120           HG3      GLU 120   1.693  -1.737   3.131
  900    H    LEU 121           H        LEU 121   4.049   0.393   7.369
  901    HA   LEU 121           HA       LEU 121   5.707  -1.759   8.621
  902    HB2  LEU 121           HB2      LEU 121   6.456   1.089   7.808
  903    HB3  LEU 121           HB3      LEU 121   7.530  -0.091   8.554
  904    HG   LEU 121           HG       LEU 121   6.297  -0.180   5.773
  905   HD11  LEU 121          HD11      LEU 121   9.174  -0.054   6.805
  906   HD12  LEU 121          HD12      LEU 121   8.714  -0.157   5.100
  907   HD13  LEU 121          HD13      LEU 121   8.262   1.267   6.045
  908   HD21  LEU 121          HD23      LEU 121   6.250  -2.491   6.532
  909   HD22  LEU 121          HD21      LEU 121   7.580  -2.293   5.396
  910   HD23  LEU 121          HD22      LEU 121   7.919  -2.371   7.135
  911    H    LEU 122           H        LEU 122   4.925   1.715   9.270
  912    HA   LEU 122           HA       LEU 122   5.705   1.639  11.976
  913    HB2  LEU 122           HB2      LEU 122   3.674   3.351  10.437
  914    HB3  LEU 122           HB3      LEU 122   4.116   3.691  12.091
  915    HG   LEU 122           HG       LEU 122   5.154   5.158  10.435
  916   HD11  LEU 122          HD11      LEU 122   6.150   4.775  12.692
  917   HD12  LEU 122          HD12      LEU 122   7.208   3.533  11.981
  918   HD13  LEU 122          HD13      LEU 122   7.353   5.230  11.477
  919   HD21  LEU 122          HD23      LEU 122   6.985   2.872   9.652
  920   HD22  LEU 122          HD21      LEU 122   5.684   3.541   8.639
  921   HD23  LEU 122          HD22      LEU 122   7.021   4.560   9.105
  922    H    CYS 123           H        CYS 123   2.625   0.614  10.602
  923    HA   CYS 123           HA       CYS 123   1.509   0.471  13.351
  924    HB2  CYS 123           HB2      CYS 123  -0.018   0.367  10.725
  925    HB3  CYS 123           HB3      CYS 123  -0.685   0.513  12.348
  926    HG   CYS 123           HG       CYS 123  -0.937   2.798  11.101
  927    H    GLU 124           H        GLU 124   3.453  -1.409  12.297
  928    HA   GLU 124           HA       GLU 124   1.856  -3.846  12.778
  929    HB2  GLU 124           HB2      GLU 124   3.902  -3.498  10.569
  930    HB3  GLU 124           HB3      GLU 124   3.498  -5.077  11.240
  931    HG2  GLU 124           HG2      GLU 124   1.524  -3.145   9.981
  932    HG3  GLU 124           HG3      GLU 124   2.216  -4.568   9.194
  933    H    GLU 125           H        GLU 125   2.350  -4.279  14.712
  934    HA   GLU 125           HA       GLU 125   4.692  -3.512  16.062
  935    HB2  GLU 125           HB2      GLU 125   3.938  -4.918  17.883
  936    HB3  GLU 125           HB3      GLU 125   2.591  -4.023  17.185
  937    HG2  GLU 125           HG2      GLU 125   1.917  -6.081  15.913
  938    HG3  GLU 125           HG3      GLU 125   3.233  -6.966  16.687
  939    H    GLU 126           H        GLU 126   4.139  -6.316  14.031
  940    HA   GLU 126           HA       GLU 126   6.331  -7.893  14.952
  941    HB2  GLU 126           HB2      GLU 126   5.122  -7.797  12.151
  942    HB3  GLU 126           HB3      GLU 126   6.146  -9.077  12.819
  943    HG2  GLU 126           HG2      GLU 126   4.372  -9.416  14.613
  944    HG3  GLU 126           HG3      GLU 126   3.348  -8.294  13.707
  945    H    ILE 127           H        ILE 127   5.958  -5.474  12.382
  946    HA   ILE 127           HA       ILE 127   8.690  -5.471  11.493
  947    HB   ILE 127           HB       ILE 127   6.313  -3.729  11.099
  948   HG12  ILE 127          HG12      ILE 127   6.691  -4.206   8.737
  949   HG13  ILE 127          HG13      ILE 127   8.176  -5.089   9.121
  950   HG21  ILE 127          HG21      ILE 127   9.158  -2.969  10.442
  951   HG22  ILE 127          HG22      ILE 127   7.773  -2.301   9.551
  952   HG23  ILE 127          HG23      ILE 127   7.921  -2.010  11.281
  953   HD11  ILE 127          HD13      ILE 127   6.898  -6.877  10.158
  954   HD12  ILE 127          HD11      ILE 127   5.388  -5.939   9.994
  955   HD13  ILE 127          HD12      ILE 127   6.234  -6.538   8.556
  956    H    LEU 128           H        LEU 128   6.833  -3.466  13.858
  957    HA   LEU 128           HA       LEU 128   8.996  -1.839  14.548
  958    HB2  LEU 128           HB2      LEU 128   6.830  -2.792  16.468
  959    HB3  LEU 128           HB3      LEU 128   7.901  -1.427  16.716
  960    HG   LEU 128           HG       LEU 128   5.663  -1.630  14.674
  961   HD11  LEU 128          HD11      LEU 128   5.003  -1.144  16.989
  962   HD12  LEU 128          HD12      LEU 128   6.134   0.224  17.029
  963   HD13  LEU 128          HD13      LEU 128   4.737   0.246  15.926
  964   HD21  LEU 128          HD23      LEU 128   7.367  -0.450  13.496
  965   HD22  LEU 128          HD21      LEU 128   6.254   0.763  14.125
  966   HD23  LEU 128          HD22      LEU 128   7.809   0.497  14.939
  967    H    GLU 129           H        GLU 129   8.325  -5.140  15.722
  968    HA   GLU 129           HA       GLU 129  10.451  -5.059  17.648
  969    HB2  GLU 129           HB2      GLU 129   8.714  -7.215  16.487
  970    HB3  GLU 129           HB3      GLU 129  10.297  -7.699  17.117
  971    HG2  GLU 129           HG2      GLU 129   9.844  -6.620  19.261
  972    HG3  GLU 129           HG3      GLU 129   8.253  -6.092  18.693
  973    H    GLN 130           H        GLN 130  10.216  -5.983  14.161
  974    HA   GLN 130           HA       GLN 130  12.821  -7.121  14.023
  975    HB2  GLN 130           HB2      GLN 130  10.967  -5.899  11.954
  976    HB3  GLN 130           HB3      GLN 130  12.481  -6.708  11.534
  977    HG2  GLN 130           HG2      GLN 130  11.713  -8.826  12.177
  978    HG3  GLN 130           HG3      GLN 130  10.431  -8.184  13.188
  979   HE21  GLN 130          HE22      GLN 130   8.800  -9.455  12.131
  980   HE22  GLN 130          HE21      GLN 130   8.268  -9.095  10.507
  981    H    LEU 131           H        LEU 131  11.606  -3.780  13.726
  982    HA   LEU 131           HA       LEU 131  14.217  -2.755  12.956
  983    HB2  LEU 131           HB2      LEU 131  13.267  -0.612  12.892
  984    HB3  LEU 131           HB3      LEU 131  12.110  -1.781  12.182
  985    HG   LEU 131           HG       LEU 131  10.988  -1.703  14.424
  986   HD11  LEU 131          HD11      LEU 131  12.679  -0.052  15.524
  987   HD12  LEU 131          HD12      LEU 131  11.896   1.164  14.522
  988   HD13  LEU 131          HD13      LEU 131  10.946   0.273  15.694
  989   HD21  LEU 131          HD23      LEU 131   9.877  -1.084  12.434
  990   HD22  LEU 131          HD21      LEU 131   9.637   0.303  13.509
  991   HD23  LEU 131          HD22      LEU 131  10.864   0.364  12.226
  992    H    LEU 132           H        LEU 132  12.279  -2.755  16.051
  993    HA   LEU 132           HA       LEU 132  14.287  -1.347  17.496
  994    HB2  LEU 132           HB2      LEU 132  12.196  -3.369  18.365
  995    HB3  LEU 132           HB3      LEU 132  13.233  -2.541  19.519
  996    HG   LEU 132           HG       LEU 132  11.494  -1.001  17.556
  997   HD11  LEU 132          HD11      LEU 132   9.850  -0.774  19.349
  998   HD12  LEU 132          HD12      LEU 132  10.089  -2.472  18.897
  999   HD13  LEU 132          HD13      LEU 132  10.818  -1.845  20.396
 1000   HD21  LEU 132          HD23      LEU 132  11.739   0.833  19.185
 1001   HD22  LEU 132          HD21      LEU 132  12.833  -0.179  20.154
 1002   HD23  LEU 132          HD22      LEU 132  13.290   0.330  18.509
 1003    H    THR 133           H        THR 133  14.259  -4.658  16.377
 1004    HA   THR 133           HA       THR 133  16.668  -5.262  17.987
 1005    HB   THR 133           HB       THR 133  16.173  -7.602  17.482
 1006    HG1  THR 133           HG1      THR 133  13.757  -6.684  16.334
 1007   HG21  THR 133          HG23      THR 133  14.178  -7.908  18.835
 1008   HG22  THR 133          HG21      THR 133  15.151  -6.589  19.511
 1009   HG23  THR 133          HG22      THR 133  13.673  -6.230  18.588
 1010    H    ALA 134           H        ALA 134  16.403  -3.609  15.298
 1011    HA   ALA 134           HA       ALA 134  17.635  -5.180  13.293
 1012    HB1  ALA 134           HB3      ALA 134  16.423  -3.215  12.675
 1013    HB2  ALA 134           HB1      ALA 134  17.567  -2.189  13.588
 1014    HB3  ALA 134           HB2      ALA 134  18.112  -3.073  12.157
 1015    H    SER 135           H        SER 135  19.477  -6.279  13.811
 1016    HA   SER 135           HA       SER 135  21.667  -5.122  15.237
 1017    HB2  SER 135           HB2      SER 135  21.593  -7.503  13.333
 1018    HB3  SER 135           HB3      SER 135  22.837  -7.168  14.550
 1019    HG   SER 135           HG       SER 135  21.275  -8.681  15.283
 1020    H    SER 136           H        SER 136  20.648  -4.726  11.905
 1021    HA   SER 136           HA       SER 136  23.186  -3.405  11.211
 1022    HB2  SER 136           HB2      SER 136  23.394  -4.852   9.191
 1023    HB3  SER 136           HB3      SER 136  23.563  -5.772  10.692
 1024    HG   SER 136           HG       SER 136  22.187  -6.909   9.404
 1025    H    GLU 137           H        GLU 137  23.067  -2.286   9.185
 1026    HA   GLU 137           HA       GLU 137  20.685  -0.879   8.518
 1027    HB2  GLU 137           HB2      GLU 137  23.131  -0.316   8.057
 1028    HB3  GLU 137           HB3      GLU 137  23.104  -1.529   6.773
 1029    HG2  GLU 137           HG2      GLU 137  21.231  -0.213   5.692
 1030    HG3  GLU 137           HG3      GLU 137  21.441   1.000   6.966
 1031    H    LYS 138           H        LYS 138  22.122  -3.931   7.328
 1032    HA   LYS 138           HA       LYS 138  20.372  -4.369   5.172
 1033    HB2  LYS 138           HB2      LYS 138  22.462  -5.638   5.513
 1034    HB3  LYS 138           HB3      LYS 138  21.792  -6.383   6.963
 1035    HG2  LYS 138           HG2      LYS 138  21.742  -7.932   5.095
 1036    HG3  LYS 138           HG3      LYS 138  20.102  -7.567   5.626
 1037    HD2  LYS 138           HD2      LYS 138  19.799  -6.024   3.712
 1038    HD3  LYS 138           HD3      LYS 138  21.486  -6.299   3.217
 1039    HE2  LYS 138           HE2      LYS 138  20.981  -8.721   2.920
 1040    HE3  LYS 138           HE3      LYS 138  19.305  -8.431   3.402
 1041    HZ1  LYS 138           HZ3      LYS 138  20.616  -7.273   1.007
 1042    HZ2  LYS 138           HZ1      LYS 138  19.543  -8.497   1.003
 1043    HZ3  LYS 138           HZ2      LYS 138  19.062  -7.006   1.448
 1044    H    GLN 139           H        GLN 139  19.978  -5.381   8.635
 1045    HA   GLN 139           HA       GLN 139  17.568  -6.656   8.278
 1046    HB2  GLN 139           HB2      GLN 139  19.235  -6.295  10.347
 1047    HB3  GLN 139           HB3      GLN 139  18.080  -5.019  10.776
 1048    HG2  GLN 139           HG2      GLN 139  16.252  -6.664  10.638
 1049    HG3  GLN 139           HG3      GLN 139  17.430  -7.894  10.110
 1050   HE21  GLN 139          HE22      GLN 139  15.645  -7.019  12.809
 1051   HE22  GLN 139          HE21      GLN 139  16.765  -7.506  14.054
 1052    H    LEU 140           H        LEU 140  18.155  -3.116   8.606
 1053    HA   LEU 140           HA       LEU 140  15.332  -2.500   8.877
 1054    HB2  LEU 140           HB2      LEU 140  17.792  -0.891   8.213
 1055    HB3  LEU 140           HB3      LEU 140  16.182  -0.185   8.115
 1056    HG   LEU 140           HG       LEU 140  17.399  -1.405  10.594
 1057   HD11  LEU 140          HD11      LEU 140  16.915   1.534   9.894
 1058   HD12  LEU 140          HD12      LEU 140  17.676   0.898  11.357
 1059   HD13  LEU 140          HD13      LEU 140  18.481   0.721   9.795
 1060   HD21  LEU 140          HD23      LEU 140  14.979  -1.564  10.784
 1061   HD22  LEU 140          HD21      LEU 140  15.560  -0.270  11.827
 1062   HD23  LEU 140          HD22      LEU 140  14.789   0.130  10.280
 1063    H    ALA 141           H        ALA 141  17.663  -2.485   6.095
 1064    HA   ALA 141           HA       ALA 141  15.688  -1.810   4.152
 1065    HB1  ALA 141           HB3      ALA 141  18.089  -1.636   3.780
 1066    HB2  ALA 141           HB1      ALA 141  18.204  -3.425   3.754
 1067    HB3  ALA 141           HB2      ALA 141  17.248  -2.552   2.516
 1068    H    ASP 142           H        ASP 142  16.510  -4.973   5.600
 1069    HA   ASP 142           HA       ASP 142  15.034  -6.569   3.781
 1070    HB2  ASP 142           HB2      ASP 142  16.608  -7.513   5.395
 1071    HB3  ASP 142           HB3      ASP 142  15.567  -7.017   6.733
 1072    H    ILE 143           H        ILE 143  13.950  -4.667   6.649
 1073    HA   ILE 143           HA       ILE 143  11.250  -5.576   6.625
 1074    HB   ILE 143           HB       ILE 143  12.701  -3.129   7.671
 1075   HG12  ILE 143          HG12      ILE 143  11.401  -5.448   9.141
 1076   HG13  ILE 143          HG13      ILE 143  13.113  -5.367   8.738
 1077   HG21  ILE 143          HG21      ILE 143  10.478  -2.369   7.170
 1078   HG22  ILE 143          HG22      ILE 143   9.785  -3.740   8.075
 1079   HG23  ILE 143          HG23      ILE 143  10.735  -2.467   8.900
 1080   HD11  ILE 143          HD13      ILE 143  11.591  -3.748  10.764
 1081   HD12  ILE 143          HD11      ILE 143  13.130  -4.610  10.904
 1082   HD13  ILE 143          HD12      ILE 143  13.081  -3.080  10.029
 1083    H    ILE 144           H        ILE 144  12.985  -2.980   4.877
 1084    HA   ILE 144           HA       ILE 144  10.701  -1.888   3.531
 1085    HB   ILE 144           HB       ILE 144  13.541  -2.180   2.413
 1086   HG12  ILE 144          HG12      ILE 144  13.761  -0.951   4.455
 1087   HG13  ILE 144          HG13      ILE 144  13.869   0.177   3.106
 1088   HG21  ILE 144          HG21      ILE 144  12.967  -0.256   0.994
 1089   HG22  ILE 144          HG22      ILE 144  12.063  -1.723   0.627
 1090   HG23  ILE 144          HG23      ILE 144  11.271  -0.405   1.508
 1091   HD11  ILE 144          HD13      ILE 144  11.349   0.563   3.474
 1092   HD12  ILE 144          HD11      ILE 144  11.575  -0.301   5.012
 1093   HD13  ILE 144          HD12      ILE 144  12.490   1.192   4.688
 1094    H    SER 145           H        SER 145  12.956  -4.476   2.661
 1095    HA   SER 145           HA       SER 145  11.845  -4.892   0.150
 1096    HB2  SER 145           HB2      SER 145  13.430  -6.876   1.862
 1097    HB3  SER 145           HB3      SER 145  13.251  -6.934   0.100
 1098    HG   SER 145           HG       SER 145  14.561  -4.926   1.658
 1099    H    ARG 146           H        ARG 146  10.840  -6.220   3.311
 1100    HA   ARG 146           HA       ARG 146   9.250  -8.332   2.527
 1101    HB2  ARG 146           HB2      ARG 146  10.009  -7.057   4.846
 1102    HB3  ARG 146           HB3      ARG 146   8.347  -6.475   4.732
 1103    HG2  ARG 146           HG2      ARG 146   7.571  -8.806   4.507
 1104    HG3  ARG 146           HG3      ARG 146   9.240  -9.373   4.563
 1105    HD2  ARG 146           HD2      ARG 146   7.678  -7.948   6.734
 1106    HD3  ARG 146           HD3      ARG 146   8.129  -9.660   6.750
 1107    HE   ARG 146           HE       ARG 146   9.471  -7.777   8.081
 1108   HH11  ARG 146          HH11      ARG 146  10.742  -9.802   5.373
 1109   HH12  ARG 146          HH12      ARG 146  12.382  -9.537   5.938
 1110   HH21  ARG 146          HH22      ARG 146  11.561  -7.719   8.752
 1111   HH22  ARG 146          HH21      ARG 146  12.840  -8.402   7.728
 1112    H    GLY 147           H        GLY 147   8.690  -4.913   2.014
 1113    HA2  GLY 147           HA2      GLY 147   5.916  -4.725   2.255
 1114    HA3  GLY 147           HA3      GLY 147   6.933  -3.714   1.212
  Start of MODEL   20
    1    H    MET   1           H1       MET   1   2.282  -2.757  -0.421
    2    HA   MET   1           HA       MET   1   2.618  -2.321  -2.758
    3    HB2  MET   1           HB2      MET   1   1.912   0.219  -2.330
    4    HB3  MET   1           HB3      MET   1   3.644   0.406  -1.970
    5    HG2  MET   1           HG2      MET   1   3.029   0.970  -4.301
    6    HG3  MET   1           HG3      MET   1   4.248  -0.290  -4.183
    7    HE1  MET   1           HE3      MET   1   2.365  -1.195  -7.494
    8    HE2  MET   1           HE1      MET   1   2.710   0.429  -6.860
    9    HE3  MET   1           HE2      MET   1   3.938  -0.852  -6.739
   10    H    ARG   2           H        ARG   2   4.895  -2.192  -3.685
   11    HA   ARG   2           HA       ARG   2   6.867  -3.147  -1.879
   12    HB2  ARG   2           HB2      ARG   2   6.866  -2.095  -4.720
   13    HB3  ARG   2           HB3      ARG   2   8.393  -2.210  -3.869
   14    HG2  ARG   2           HG2      ARG   2   8.107  -4.178  -5.154
   15    HG3  ARG   2           HG3      ARG   2   8.051  -4.613  -3.447
   16    HD2  ARG   2           HD2      ARG   2   5.538  -4.145  -5.069
   17    HD3  ARG   2           HD3      ARG   2   6.391  -5.700  -5.114
   18    HE   ARG   2           HE       ARG   2   6.042  -5.154  -2.396
   19   HH11  ARG   2          HH21      ARG   2   3.984  -5.875  -5.213
   20   HH12  ARG   2          HH22      ARG   2   2.691  -6.514  -4.273
   21   HH21  ARG   2          HH11      ARG   2   4.308  -5.895  -1.148
   22   HH22  ARG   2          HH12      ARG   2   2.896  -6.577  -1.905
   23    H    LEU   3           H        LEU   3   7.553  -2.035  -0.205
   24    HA   LEU   3           HA       LEU   3   7.860   0.804  -0.044
   25    HB2  LEU   3           HB2      LEU   3   9.197  -1.552   1.361
   26    HB3  LEU   3           HB3      LEU   3   9.774   0.077   1.626
   27    HG   LEU   3           HG       LEU   3   8.117  -0.796   3.358
   28   HD11  LEU   3          HD11      LEU   3   8.569   1.609   3.046
   29   HD12  LEU   3          HD12      LEU   3   7.236   1.718   1.875
   30   HD13  LEU   3          HD13      LEU   3   6.905   1.293   3.569
   31   HD21  LEU   3          HD23      LEU   3   5.757  -0.809   2.957
   32   HD22  LEU   3          HD21      LEU   3   5.977  -0.376   1.253
   33   HD23  LEU   3          HD22      LEU   3   6.519  -1.951   1.855
   34    H    SER   4           H        SER   4   9.924  -1.763  -1.386
   35    HA   SER   4           HA       SER   4  12.234  -0.253  -1.962
   36    HB2  SER   4           HB2      SER   4  12.387  -2.193  -3.728
   37    HB3  SER   4           HB3      SER   4  12.452  -2.563  -1.996
   38    HG   SER   4           HG       SER   4  11.014  -3.931  -3.139
   39    H    ASP   5           H        ASP   5   9.063   0.263  -3.239
   40    HA   ASP   5           HA       ASP   5  10.220   1.588  -5.578
   41    HB2  ASP   5           HB2      ASP   5   8.469  -0.197  -5.956
   42    HB3  ASP   5           HB3      ASP   5   7.317   0.820  -5.090
   43    H    TYR   6           H        TYR   6   9.814   2.467  -2.608
   44    HA   TYR   6           HA       TYR   6   9.220   5.286  -3.412
   45    HB2  TYR   6           HB2      TYR   6   8.381   3.908  -0.836
   46    HB3  TYR   6           HB3      TYR   6   8.408   5.656  -1.087
   47    HD1  TYR   6           HD1      TYR   6   6.681   2.493  -2.002
   48    HD2  TYR   6           HD2      TYR   6   6.609   6.814  -2.069
   49    HE1  TYR   6           HE1      TYR   6   4.362   2.447  -2.879
   50    HE2  TYR   6           HE2      TYR   6   4.308   6.768  -3.002
   51    HH   TYR   6           HH       TYR   6   2.537   5.426  -3.713
   52    H    PHE   7           H        PHE   7  10.760   3.025  -1.151
   53    HA   PHE   7           HA       PHE   7  12.748   5.033  -0.272
   54    HB2  PHE   7           HB2      PHE   7  12.454   3.730   1.548
   55    HB3  PHE   7           HB3      PHE   7  11.863   2.360   0.638
   56    HD1  PHE   7           HD1      PHE   7  14.945   4.073   1.830
   57    HD2  PHE   7           HD2      PHE   7  13.212   0.609  -0.031
   58    HE1  PHE   7           HE1      PHE   7  17.160   2.925   1.919
   59    HE2  PHE   7           HE2      PHE   7  15.468  -0.520  -0.022
   60    HZ   PHE   7           HZ       PHE   7  17.427   0.655   0.950
   61    HA   PRO   8           HA       PRO   8  14.438   3.959  -4.238
   62    HB2  PRO   8           HB2      PRO   8  16.456   5.773  -4.461
   63    HB3  PRO   8           HB3      PRO   8  14.729   6.216  -4.471
   64    HG2  PRO   8           HG2      PRO   8  16.669   6.415  -2.160
   65    HG3  PRO   8           HG3      PRO   8  15.430   7.589  -2.671
   66    HD2  PRO   8           HD2      PRO   8  15.080   5.726  -0.653
   67    HD3  PRO   8           HD3      PRO   8  13.746   6.442  -1.609
   68    H    GLU   9           H        GLU   9  17.364   4.801  -2.412
   69    HA   GLU   9           HA       GLU   9  18.372   2.186  -1.922
   70    HB2  GLU   9           HB2      GLU   9  18.719   2.608  -4.504
   71    HB3  GLU   9           HB3      GLU   9  19.844   3.873  -3.982
   72    HG2  GLU   9           HG2      GLU   9  21.264   2.233  -2.878
   73    HG3  GLU   9           HG3      GLU   9  20.069   0.961  -3.130
   74    H    SER  10           H        SER  10  20.622   2.593  -0.964
   75    HA   SER  10           HA       SER  10  21.981   3.616   0.425
   76    HB2  SER  10           HB2      SER  10  21.746   6.195  -1.110
   77    HB3  SER  10           HB3      SER  10  23.202   5.386  -0.533
   78    HG   SER  10           HG       SER  10  22.979   3.896  -2.221
   79    H    SER  11           H        SER  11  19.017   4.133   0.900
   80    HA   SER  11           HA       SER  11  19.171   6.576   2.559
   81    HB2  SER  11           HB2      SER  11  16.816   5.393   1.057
   82    HB3  SER  11           HB3      SER  11  16.795   6.868   2.040
   83    HG   SER  11           HG       SER  11  18.341   6.380  -0.305
   84    H    ILE  12           H        ILE  12  19.981   3.912   3.420
   85    HA   ILE  12           HA       ILE  12  18.182   3.733   5.758
   86    HB   ILE  12           HB       ILE  12  19.018   1.555   3.947
   87   HG12  ILE  12          HG12      ILE  12  16.925   1.733   6.154
   88   HG13  ILE  12          HG13      ILE  12  16.695   2.496   4.555
   89   HG21  ILE  12          HG21      ILE  12  19.155  -0.154   5.711
   90   HG22  ILE  12          HG22      ILE  12  20.449   1.033   5.893
   91   HG23  ILE  12          HG23      ILE  12  19.026   1.095   6.963
   92   HD11  ILE  12          HD13      ILE  12  15.571   0.407   4.533
   93   HD12  ILE  12          HD11      ILE  12  17.002   0.281   3.483
   94   HD13  ILE  12          HD12      ILE  12  17.016  -0.446   5.106
   95    H    SER  13           H        SER  13  19.282   3.705   7.730
   96    HA   SER  13           HA       SER  13  22.094   3.050   7.831
   97    HB2  SER  13           HB2      SER  13  21.137   5.890   8.489
   98    HB3  SER  13           HB3      SER  13  22.702   5.235   8.998
   99    HG   SER  13           HG       SER  13  22.136   4.931   6.319
  100    H    VAL  14           H        VAL  14  22.825   2.858  10.016
  101    HA   VAL  14           HA       VAL  14  20.770   2.892  12.146
  102    HB   VAL  14           HB       VAL  14  22.927   0.813  11.654
  103   HG11  VAL  14          HG11      VAL  14  20.964   1.042  13.985
  104   HG12  VAL  14          HG12      VAL  14  22.051  -0.329  13.680
  105   HG13  VAL  14          HG13      VAL  14  22.729   1.249  14.073
  106   HG21  VAL  14          HG23      VAL  14  20.909   0.419  10.263
  107   HG22  VAL  14          HG21      VAL  14  21.027  -0.803  11.534
  108   HG23  VAL  14          HG22      VAL  14  19.879   0.542  11.701
  109    H    ILE  15           H        ILE  15  21.567   3.868  13.980
  110    HA   ILE  15           HA       ILE  15  24.260   5.144  13.880
  111    HB   ILE  15           HB       ILE  15  21.439   6.232  13.986
  112   HG12  ILE  15          HG12      ILE  15  23.908   6.785  12.326
  113   HG13  ILE  15          HG13      ILE  15  22.347   6.140  11.811
  114   HG21  ILE  15          HG21      ILE  15  23.807   7.785  15.008
  115   HG22  ILE  15          HG22      ILE  15  22.161   8.414  14.715
  116   HG23  ILE  15          HG23      ILE  15  22.375   7.194  15.923
  117   HD11  ILE  15          HD13      ILE  15  21.318   8.389  12.388
  118   HD12  ILE  15          HD11      ILE  15  22.961   8.999  12.690
  119   HD13  ILE  15          HD12      ILE  15  22.511   8.429  11.070
  120    H    HIS  16           H        HIS  16  25.215   5.436  15.901
  121    HA   HIS  16           HA       HIS  16  24.235   3.813  18.066
  122    HB2  HIS  16           HB2      HIS  16  26.368   5.982  18.040
  123    HB3  HIS  16           HB3      HIS  16  26.136   4.777  19.309
  124    HD1  HIS  16           HD1      HIS  16  25.856   2.182  17.314
  125    HD2  HIS  16           HD2      HIS  16  28.764   5.247  17.233
  126    HE1  HIS  16           HE1      HIS  16  27.893   1.216  16.140
  127    H    SER  17           H        SER  17  24.021   7.297  17.294
  128    HA   SER  17           HA       SER  17  21.798   7.810  18.952
  129    HB2  SER  17           HB2      SER  17  23.106   9.543  20.410
  130    HB3  SER  17           HB3      SER  17  23.054   7.859  20.923
  131    HG   SER  17           HG       SER  17  25.167   8.841  21.017
  132    H    ALA  18           H        ALA  18  21.081  10.033  18.420
  133    HA   ALA  18           HA       ALA  18  22.574  11.250  16.147
  134    HB1  ALA  18           HB3      ALA  18  20.592  12.763  16.021
  135    HB2  ALA  18           HB1      ALA  18  20.205  11.064  15.741
  136    HB3  ALA  18           HB2      ALA  18  19.827  11.822  17.315
  137    H    LYS  19           H        LYS  19  23.123  13.497  16.330
  138    HA   LYS  19           HA       LYS  19  24.389  14.172  18.765
  139    HB2  LYS  19           HB2      LYS  19  24.755  14.933  16.249
  140    HB3  LYS  19           HB3      LYS  19  23.595  16.173  16.637
  141    HG2  LYS  19           HG2      LYS  19  25.754  17.137  16.924
  142    HG3  LYS  19           HG3      LYS  19  25.019  16.983  18.514
  143    HD2  LYS  19           HD2      LYS  19  27.403  16.408  18.551
  144    HD3  LYS  19           HD3      LYS  19  26.424  15.011  19.006
  145    HE2  LYS  19           HE2      LYS  19  26.640  14.096  16.709
  146    HE3  LYS  19           HE3      LYS  19  27.554  15.524  16.214
  147    HZ1  LYS  19           HZ3      LYS  19  29.017  13.675  16.733
  148    HZ2  LYS  19           HZ1      LYS  19  29.288  14.883  17.790
  149    HZ3  LYS  19           HZ2      LYS  19  28.444  13.562  18.254
  150    H    ASP  20           H        ASP  20  21.220  15.048  17.457
  151    HA   ASP  20           HA       ASP  20  20.081  15.490  20.013
  152    HB2  ASP  20           HB2      ASP  20  21.178  17.824  19.468
  153    HB3  ASP  20           HB3      ASP  20  20.014  17.864  18.121
  154    H    TRP  21           H        TRP  21  17.661  16.410  19.408
  155    HA   TRP  21           HA       TRP  21  16.568  14.700  17.384
  156    HB2  TRP  21           HB2      TRP  21  14.462  15.868  17.747
  157    HB3  TRP  21           HB3      TRP  21  15.211  15.372  19.254
  158    HD1  TRP  21           HD1      TRP  21  16.005  17.271  20.912
  159    HE1  TRP  21           HE1      TRP  21  15.651  19.786  21.062
  160    HE3  TRP  21           HE3      TRP  21  14.084  18.066  16.236
  161    HZ2  TRP  21           HZ2      TRP  21  14.844  21.937  19.283
  162    HZ3  TRP  21           HZ3      TRP  21  13.648  20.377  15.455
  163    HH2  TRP  21           HH2      TRP  21  14.083  22.309  16.943
  164    H    GLN  22           H        GLN  22  17.579  18.118  17.318
  165    HA   GLN  22           HA       GLN  22  16.803  18.945  14.704
  166    HB2  GLN  22           HB2      GLN  22  19.392  19.419  16.244
  167    HB3  GLN  22           HB3      GLN  22  18.861  20.311  14.814
  168    HG2  GLN  22           HG2      GLN  22  16.901  21.160  16.000
  169    HG3  GLN  22           HG3      GLN  22  17.262  20.167  17.412
  170   HE21  GLN  22          HE22      GLN  22  18.919  20.784  18.884
  171   HE22  GLN  22          HE21      GLN  22  19.692  22.360  18.778
  172    H    GLU  23           H        GLU  23  19.792  17.142  15.744
  173    HA   GLU  23           HA       GLU  23  20.702  16.710  13.071
  174    HB2  GLU  23           HB2      GLU  23  22.013  16.620  15.293
  175    HB3  GLU  23           HB3      GLU  23  21.317  15.002  15.501
  176    HG2  GLU  23           HG2      GLU  23  23.328  14.466  14.522
  177    HG3  GLU  23           HG3      GLU  23  22.324  14.545  13.103
  178    H    ALA  24           H        ALA  24  18.638  14.831  15.270
  179    HA   ALA  24           HA       ALA  24  18.664  12.422  13.748
  180    HB1  ALA  24           HB3      ALA  24  16.514  13.477  15.609
  181    HB2  ALA  24           HB1      ALA  24  16.801  11.780  15.160
  182    HB3  ALA  24           HB2      ALA  24  17.997  12.677  16.127
  183    H    ILE  25           H        ILE  25  16.704  15.417  13.455
  184    HA   ILE  25           HA       ILE  25  14.950  14.370  11.411
  185    HB   ILE  25           HB       ILE  25  15.891  17.243  11.734
  186   HG12  ILE  25          HG12      ILE  25  14.412  15.796  13.672
  187   HG13  ILE  25          HG13      ILE  25  14.795  17.508  13.612
  188   HG21  ILE  25          HG21      ILE  25  14.820  16.697   9.567
  189   HG22  ILE  25          HG22      ILE  25  13.403  16.075  10.411
  190   HG23  ILE  25          HG23      ILE  25  13.845  17.798  10.500
  191   HD11  ILE  25          HD13      ILE  25  12.319  16.160  12.511
  192   HD12  ILE  25          HD11      ILE  25  12.436  17.137  13.988
  193   HD13  ILE  25          HD12      ILE  25  12.662  17.911  12.413
  194    H    ASP  26           H        ASP  26  18.101  16.164  11.359
  195    HA   ASP  26           HA       ASP  26  18.369  16.227   8.543
  196    HB2  ASP  26           HB2      ASP  26  19.827  17.536   9.981
  197    HB3  ASP  26           HB3      ASP  26  20.546  16.075  10.657
  198    H    PHE  27           H        PHE  27  19.487  13.715  10.874
  199    HA   PHE  27           HA       PHE  27  20.418  11.935   8.873
  200    HB2  PHE  27           HB2      PHE  27  19.662  11.642  11.790
  201    HB3  PHE  27           HB3      PHE  27  20.022  10.228  10.822
  202    HD1  PHE  27           HD2      PHE  27  22.203  10.606   9.201
  203    HD2  PHE  27           HD1      PHE  27  21.634  12.358  13.138
  204    HE1  PHE  27           HE2      PHE  27  24.649  10.775   9.499
  205    HE2  PHE  27           HE1      PHE  27  24.067  12.454  13.414
  206    HZ   PHE  27           HZ       PHE  27  25.589  11.690  11.613
  207    H    SER  28           H        SER  28  17.078  12.514  10.037
  208    HA   SER  28           HA       SER  28  15.976  10.125   8.845
  209    HB2  SER  28           HB2      SER  28  14.576  12.809   9.366
  210    HB3  SER  28           HB3      SER  28  13.795  11.290   9.018
  211    HG   SER  28           HG       SER  28  15.500  11.807  11.254
  212    H    MET  29           H        MET  29  17.063  13.223   7.523
  213    HA   MET  29           HA       MET  29  15.615  12.618   4.977
  214    HB2  MET  29           HB2      MET  29  16.624  15.245   6.028
  215    HB3  MET  29           HB3      MET  29  15.450  14.952   4.731
  216    HG2  MET  29           HG2      MET  29  14.679  14.187   7.525
  217    HG3  MET  29           HG3      MET  29  14.749  15.877   7.072
  218    HE1  MET  29           HE3      MET  29  12.815  12.696   7.070
  219    HE2  MET  29           HE1      MET  29  11.741  12.778   5.651
  220    HE3  MET  29           HE2      MET  29  13.501  12.517   5.426
  221    H    VAL  30           H        VAL  30  18.893  13.172   6.186
  222    HA   VAL  30           HA       VAL  30  19.968  14.582   4.106
  223    HB   VAL  30           HB       VAL  30  21.095  14.131   6.225
  224   HG11  VAL  30          HG11      VAL  30  20.578  11.697   6.479
  225   HG12  VAL  30          HG12      VAL  30  21.728  11.335   5.173
  226   HG13  VAL  30          HG13      VAL  30  22.295  12.058   6.692
  227   HG21  VAL  30          HG23      VAL  30  23.374  13.943   5.432
  228   HG22  VAL  30          HG21      VAL  30  22.831  13.231   3.897
  229   HG23  VAL  30          HG22      VAL  30  22.423  14.914   4.295
  230    H    SER  31           H        SER  31  19.428  11.012   4.082
  231    HA   SER  31           HA       SER  31  20.922  10.562   1.736
  232    HB2  SER  31           HB2      SER  31  18.372   9.083   2.468
  233    HB3  SER  31           HB3      SER  31  19.818   8.458   1.659
  234    HG   SER  31           HG       SER  31  20.932   8.644   3.622
  235    H    LEU  32           H        LEU  32  17.499  11.544   2.238
  236    HA   LEU  32           HA       LEU  32  16.767  11.459  -0.559
  237    HB2  LEU  32           HB2      LEU  32  15.555  12.854   1.872
  238    HB3  LEU  32           HB3      LEU  32  14.817  12.875   0.287
  239    HG   LEU  32           HG       LEU  32  15.417  10.309   1.824
  240   HD11  LEU  32          HD11      LEU  32  12.987  10.277   2.323
  241   HD12  LEU  32          HD12      LEU  32  13.821  11.635   3.082
  242   HD13  LEU  32          HD13      LEU  32  12.839  11.911   1.634
  243   HD21  LEU  32          HD23      LEU  32  13.864   9.269   0.242
  244   HD22  LEU  32          HD21      LEU  32  13.640  10.806  -0.606
  245   HD23  LEU  32          HD22      LEU  32  15.210   9.964  -0.629
  246    H    LEU  33           H        LEU  33  18.103  13.923   1.664
  247    HA   LEU  33           HA       LEU  33  17.888  16.124  -0.064
  248    HB2  LEU  33           HB2      LEU  33  18.445  16.224   2.341
  249    HB3  LEU  33           HB3      LEU  33  20.021  15.518   2.005
  250    HG   LEU  33           HG       LEU  33  20.649  17.500   0.661
  251   HD11  LEU  33          HD11      LEU  33  19.263  19.525   0.742
  252   HD12  LEU  33          HD12      LEU  33  18.440  18.240  -0.118
  253   HD13  LEU  33          HD13      LEU  33  17.961  18.621   1.550
  254   HD21  LEU  33          HD23      LEU  33  19.701  18.169   3.460
  255   HD22  LEU  33          HD21      LEU  33  21.177  17.275   3.059
  256   HD23  LEU  33          HD22      LEU  33  21.013  18.947   2.542
  257    H    ASP  34           H        ASP  34  20.585  13.770   0.395
  258    HA   ASP  34           HA       ASP  34  22.329  14.853  -1.554
  259    HB2  ASP  34           HB2      ASP  34  23.036  13.284   0.230
  260    HB3  ASP  34           HB3      ASP  34  22.073  11.996  -0.504
  261    H    LYS  35           H        LYS  35  19.776  12.425  -1.797
  262    HA   LYS  35           HA       LYS  35  20.270  11.751  -4.598
  263    HB2  LYS  35           HB2      LYS  35  17.976  11.344  -2.665
  264    HB3  LYS  35           HB3      LYS  35  17.987  10.657  -4.299
  265    HG2  LYS  35           HG2      LYS  35  20.044   9.963  -2.176
  266    HG3  LYS  35           HG3      LYS  35  18.520   9.106  -2.417
  267    HD2  LYS  35           HD2      LYS  35  19.295   8.653  -4.816
  268    HD3  LYS  35           HD3      LYS  35  20.882   9.318  -4.319
  269    HE2  LYS  35           HE2      LYS  35  20.783   7.743  -2.327
  270    HE3  LYS  35           HE3      LYS  35  19.331   7.028  -3.027
  271    HZ1  LYS  35           HZ3      LYS  35  21.995   7.065  -4.358
  272    HZ2  LYS  35           HZ1      LYS  35  21.422   5.791  -3.524
  273    HZ3  LYS  35           HZ2      LYS  35  20.667   6.281  -4.905
  274    H    ASN  36           H        ASN  36  19.258  14.606  -3.293
  275    HA   ASN  36           HA       ASN  36  17.868  16.167  -3.606
  276    HB2  ASN  36           HB2      ASN  36  18.142  17.448  -5.364
  277    HB3  ASN  36           HB3      ASN  36  19.440  16.303  -5.656
  278   HD21  ASN  36          HD22      ASN  36  17.863  14.163  -6.759
  279   HD22  ASN  36          HD21      ASN  36  17.298  14.699  -8.334
  280    H    TYR  37           H        TYR  37  16.447  13.830  -3.054
  281    HA   TYR  37           HA       TYR  37  13.867  13.972  -4.455
  282    HB2  TYR  37           HB2      TYR  37  14.928  12.634  -1.950
  283    HB3  TYR  37           HB3      TYR  37  13.202  12.859  -2.134
  284    HD1  TYR  37           HD1      TYR  37  11.930  11.753  -3.898
  285    HD2  TYR  37           HD2      TYR  37  16.048  10.764  -3.154
  286    HE1  TYR  37           HE1      TYR  37  11.782   9.863  -5.512
  287    HE2  TYR  37           HE2      TYR  37  15.909   8.891  -4.739
  288    HH   TYR  37           HH       TYR  37  12.898   8.104  -6.536
  289    H    ILE  38           H        ILE  38  15.545  15.825  -2.015
  290    HA   ILE  38           HA       ILE  38  13.206  17.599  -1.672
  291    HB   ILE  38           HB       ILE  38  13.640  17.705   0.760
  292   HG12  ILE  38          HG12      ILE  38  15.552  15.377   0.308
  293   HG13  ILE  38          HG13      ILE  38  16.044  17.039   0.655
  294   HG21  ILE  38          HG21      ILE  38  12.595  15.624   1.416
  295   HG22  ILE  38          HG22      ILE  38  11.911  16.148  -0.117
  296   HG23  ILE  38          HG23      ILE  38  13.107  14.830  -0.080
  297   HD11  ILE  38          HD13      ILE  38  16.247  15.721   2.599
  298   HD12  ILE  38          HD11      ILE  38  14.953  16.916   2.852
  299   HD13  ILE  38          HD12      ILE  38  14.555  15.200   2.535
  300    H    SER  39           H        SER  39  14.043  19.541  -0.281
  301    HA   SER  39           HA       SER  39  16.740  20.460  -1.160
  302    HB2  SER  39           HB2      SER  39  14.341  22.231  -0.578
  303    HB3  SER  39           HB3      SER  39  15.819  22.636  -1.464
  304    HG   SER  39           HG       SER  39  13.695  20.913  -2.254
  305    H    GLU  40           H        GLU  40  17.711  22.031   0.464
  306    HA   GLU  40           HA       GLU  40  17.808  20.816   2.989
  307    HB2  GLU  40           HB2      GLU  40  18.680  23.615   2.170
  308    HB3  GLU  40           HB3      GLU  40  19.159  22.788   3.659
  309    HG2  GLU  40           HG2      GLU  40  20.199  20.966   2.297
  310    HG3  GLU  40           HG3      GLU  40  19.787  21.836   0.828
  311    H    ASN  41           H        ASN  41  15.800  23.586   2.002
  312    HA   ASN  41           HA       ASN  41  14.976  24.419   4.597
  313    HB2  ASN  41           HB2      ASN  41  14.489  25.693   2.525
  314    HB3  ASN  41           HB3      ASN  41  13.393  24.416   1.982
  315   HD21  ASN  41          HD22      ASN  41  11.284  24.249   2.951
  316   HD22  ASN  41          HD21      ASN  41  10.684  25.478   4.050
  317    H    TYR  42           H        TYR  42  13.995  21.586   2.690
  318    HA   TYR  42           HA       TYR  42  11.492  21.092   3.938
  319    HB2  TYR  42           HB2      TYR  42  12.382  20.087   1.810
  320    HB3  TYR  42           HB3      TYR  42  13.494  19.120   2.775
  321    HD1  TYR  42           HD1      TYR  42   9.902  19.740   2.048
  322    HD2  TYR  42           HD2      TYR  42  12.799  17.104   3.854
  323    HE1  TYR  42           HE1      TYR  42   8.191  17.934   2.175
  324    HE2  TYR  42           HE2      TYR  42  11.107  15.307   3.978
  325    HH   TYR  42           HH       TYR  42   8.975  14.647   3.451
  326    H    ILE  43           H        ILE  43  14.829  20.046   4.740
  327    HA   ILE  43           HA       ILE  43  14.174  18.434   7.002
  328    HB   ILE  43           HB       ILE  43  16.696  20.046   6.329
  329   HG12  ILE  43          HG12      ILE  43  17.353  17.403   6.006
  330   HG13  ILE  43          HG13      ILE  43  15.657  17.366   5.506
  331   HG21  ILE  43          HG21      ILE  43  16.372  17.768   8.333
  332   HG22  ILE  43          HG22      ILE  43  17.876  18.619   7.922
  333   HG23  ILE  43          HG23      ILE  43  16.582  19.481   8.758
  334   HD11  ILE  43          HD13      ILE  43  17.223  17.691   3.638
  335   HD12  ILE  43          HD11      ILE  43  16.141  19.086   3.800
  336   HD13  ILE  43          HD12      ILE  43  17.822  19.177   4.392
  337    H    GLN  44           H        GLN  44  15.021  21.951   6.724
  338    HA   GLN  44           HA       GLN  44  14.760  22.290   9.539
  339    HB2  GLN  44           HB2      GLN  44  16.098  23.728   7.835
  340    HB3  GLN  44           HB3      GLN  44  14.585  24.590   7.581
  341    HG2  GLN  44           HG2      GLN  44  15.957  25.743   9.269
  342    HG3  GLN  44           HG3      GLN  44  14.506  25.118  10.037
  343   HE21  GLN  44          HE22      GLN  44  15.007  24.323  12.115
  344   HE22  GLN  44          HE21      GLN  44  16.399  23.337  12.488
  345    H    ALA  45           H        ALA  45  12.336  22.434   6.980
  346    HA   ALA  45           HA       ALA  45  10.306  23.759   8.429
  347    HB1  ALA  45           HB3      ALA  45   8.736  22.601   6.939
  348    HB2  ALA  45           HB1      ALA  45  10.135  23.197   6.019
  349    HB3  ALA  45           HB2      ALA  45   9.989  21.468   6.431
  350    H    ILE  46           H        ILE  46  11.262  20.261   8.427
  351    HA   ILE  46           HA       ILE  46   9.123  19.501  10.210
  352    HB   ILE  46           HB       ILE  46  11.803  18.127   9.805
  353   HG12  ILE  46          HG12      ILE  46   9.206  17.593   8.324
  354   HG13  ILE  46          HG13      ILE  46  10.586  18.431   7.632
  355   HG21  ILE  46          HG21      ILE  46   9.113  16.987  10.713
  356   HG22  ILE  46          HG22      ILE  46  10.678  16.141  10.682
  357   HG23  ILE  46          HG23      ILE  46  10.410  17.449  11.824
  358   HD11  ILE  46          HD13      ILE  46  12.001  16.418   7.973
  359   HD12  ILE  46          HD11      ILE  46  10.570  15.522   8.507
  360   HD13  ILE  46          HD12      ILE  46  10.639  16.153   6.863
  361    H    LYS  47           H        LYS  47  12.594  20.464  10.688
  362    HA   LYS  47           HA       LYS  47  12.571  20.022  13.477
  363    HB2  LYS  47           HB2      LYS  47  14.078  22.041  11.771
  364    HB3  LYS  47           HB3      LYS  47  14.427  21.816  13.483
  365    HG2  LYS  47           HG2      LYS  47  15.279  19.607  13.135
  366    HG3  LYS  47           HG3      LYS  47  14.682  19.557  11.461
  367    HD2  LYS  47           HD2      LYS  47  16.157  21.344  10.813
  368    HD3  LYS  47           HD3      LYS  47  16.740  21.535  12.489
  369    HE2  LYS  47           HE2      LYS  47  17.862  19.430  12.392
  370    HE3  LYS  47           HE3      LYS  47  17.207  19.065  10.791
  371    HZ1  LYS  47           HZ3      LYS  47  18.463  21.032   9.970
  372    HZ2  LYS  47           HZ1      LYS  47  19.071  21.292  11.456
  373    HZ3  LYS  47           HZ2      LYS  47  19.470  19.938  10.650
  374    H    ASP  48           H        ASP  48  11.746  22.999  11.605
  375    HA   ASP  48           HA       ASP  48  11.149  24.665  13.813
  376    HB2  ASP  48           HB2      ASP  48  11.516  25.530  11.570
  377    HB3  ASP  48           HB3      ASP  48  10.109  24.654  10.959
  378    H    SER  49           H        SER  49   9.093  22.353  11.994
  379    HA   SER  49           HA       SER  49   6.652  22.950  13.367
  380    HB2  SER  49           HB2      SER  49   7.577  20.319  12.133
  381    HB3  SER  49           HB3      SER  49   5.916  20.800  12.498
  382    HG   SER  49           HG       SER  49   7.677  21.950  10.594
  383    H    THR  50           H        THR  50   9.404  20.795  14.125
  384    HA   THR  50           HA       THR  50   8.223  19.629  16.446
  385    HB   THR  50           HB       THR  50  11.179  19.897  15.809
  386    HG1  THR  50           HG1      THR  50  10.057  18.979  14.048
  387   HG21  THR  50          HG23      THR  50  10.678  19.005  18.077
  388   HG22  THR  50          HG21      THR  50   9.622  17.771  17.345
  389   HG23  THR  50          HG22      THR  50  11.369  17.768  17.018
  390    H    ILE  51           H        ILE  51  10.175  22.614  15.973
  391    HA   ILE  51           HA       ILE  51  10.298  23.310  18.759
  392    HB   ILE  51           HB       ILE  51  10.358  25.011  16.228
  393   HG12  ILE  51          HG12      ILE  51  12.585  24.128  18.116
  394   HG13  ILE  51          HG13      ILE  51  12.211  23.381  16.568
  395   HG21  ILE  51          HG21      ILE  51  10.963  25.900  19.078
  396   HG22  ILE  51          HG22      ILE  51  11.237  26.862  17.607
  397   HG23  ILE  51          HG23      ILE  51   9.602  26.449  18.070
  398   HD11  ILE  51          HD13      ILE  51  12.692  25.560  15.419
  399   HD12  ILE  51          HD11      ILE  51  13.281  26.188  16.980
  400   HD13  ILE  51          HD12      ILE  51  14.083  24.808  16.221
  401    H    ASN  52           H        ASN  52   7.871  23.940  16.192
  402    HA   ASN  52           HA       ASN  52   6.379  25.881  17.601
  403    HB2  ASN  52           HB2      ASN  52   5.909  24.107  15.210
  404    HB3  ASN  52           HB3      ASN  52   4.489  24.781  15.961
  405   HD21  ASN  52          HD22      ASN  52   7.640  25.734  14.523
  406   HD22  ASN  52          HD21      ASN  52   7.124  27.339  14.069
  407    H    ASN  53           H        ASN  53   6.130  22.357  17.630
  408    HA   ASN  53           HA       ASN  53   3.995  22.460  19.714
  409    HB2  ASN  53           HB2      ASN  53   2.552  22.404  17.916
  410    HB3  ASN  53           HB3      ASN  53   3.733  21.696  16.833
  411   HD21  ASN  53          HD22      ASN  53   3.540  19.571  16.322
  412   HD22  ASN  53          HD21      ASN  53   2.536  18.426  17.179
  413    H    GLY  54           H        GLY  54   5.969  20.290  17.585
  414    HA2  GLY  54           HA2      GLY  54   7.460  18.825  19.252
  415    HA3  GLY  54           HA3      GLY  54   5.848  18.151  19.579
  416    HA   PRO  55           HA       PRO  55   7.805  16.260  15.712
  417    HB2  PRO  55           HB2      PRO  55   7.435  13.609  16.376
  418    HB3  PRO  55           HB3      PRO  55   8.887  14.554  16.782
  419    HG2  PRO  55           HG2      PRO  55   6.498  13.991  18.559
  420    HG3  PRO  55           HG3      PRO  55   8.234  13.865  18.972
  421    HD2  PRO  55           HD2      PRO  55   6.753  16.039  19.636
  422    HD3  PRO  55           HD3      PRO  55   8.451  16.227  19.101
  423    H    TYR  56           H        TYR  56   6.433  16.291  14.052
  424    HA   TYR  56           HA       TYR  56   3.565  16.283  14.551
  425    HB2  TYR  56           HB2      TYR  56   5.391  17.077  12.327
  426    HB3  TYR  56           HB3      TYR  56   3.819  16.501  11.825
  427    HD1  TYR  56           HD1      TYR  56   5.403  18.921  14.201
  428    HD2  TYR  56           HD2      TYR  56   1.938  17.894  11.859
  429    HE1  TYR  56           HE1      TYR  56   4.406  21.143  14.709
  430    HE2  TYR  56           HE2      TYR  56   0.910  20.088  12.394
  431    HH   TYR  56           HH       TYR  56   2.566  22.559  14.413
  432    H    TYR  57           H        TYR  57   5.788  13.831  13.598
  433    HA   TYR  57           HA       TYR  57   3.607  12.138  12.476
  434    HB2  TYR  57           HB2      TYR  57   6.395  12.609  11.423
  435    HB3  TYR  57           HB3      TYR  57   5.420  11.189  11.045
  436    HD1  TYR  57           HD1      TYR  57   5.653  14.877  10.585
  437    HD2  TYR  57           HD2      TYR  57   3.475  11.273   9.632
  438    HE1  TYR  57           HE1      TYR  57   4.361  16.114   8.876
  439    HE2  TYR  57           HE2      TYR  57   2.152  12.509   7.944
  440    HH   TYR  57           HH       TYR  57   1.714  14.592   6.979
  441    H    ILE  58           H        ILE  58   3.251  10.908  14.257
  442    HA   ILE  58           HA       ILE  58   5.456   9.357  15.469
  443    HB   ILE  58           HB       ILE  58   3.402  11.103  16.896
  444   HG12  ILE  58          HG12      ILE  58   5.431  12.309  16.459
  445   HG13  ILE  58          HG13      ILE  58   5.321  11.956  18.173
  446   HG21  ILE  58          HG21      ILE  58   4.997   8.810  18.103
  447   HG22  ILE  58          HG22      ILE  58   4.185  10.091  19.049
  448   HG23  ILE  58          HG23      ILE  58   3.238   9.009  18.049
  449   HD11  ILE  58          HD13      ILE  58   7.177  10.715  16.124
  450   HD12  ILE  58          HD11      ILE  58   7.602  11.590  17.595
  451   HD13  ILE  58          HD12      ILE  58   6.930   9.957  17.698
  452    H    LEU  59           H        LEU  59   4.789   7.315  15.993
  453    HA   LEU  59           HA       LEU  59   1.992   6.550  15.224
  454    HB2  LEU  59           HB2      LEU  59   4.580   5.260  14.347
  455    HB3  LEU  59           HB3      LEU  59   2.973   4.560  14.180
  456    HG   LEU  59           HG       LEU  59   2.551   7.131  13.176
  457   HD11  LEU  59          HD11      LEU  59   5.058   7.520  13.275
  458   HD12  LEU  59          HD12      LEU  59   5.223   6.275  12.031
  459   HD13  LEU  59          HD13      LEU  59   4.297   7.760  11.712
  460   HD21  LEU  59          HD23      LEU  59   3.203   4.614  11.658
  461   HD22  LEU  59          HD21      LEU  59   1.641   5.138  12.317
  462   HD23  LEU  59          HD22      LEU  59   2.388   6.065  11.009
  463    H    ALA  60           H        ALA  60   4.815   5.963  17.285
  464    HA   ALA  60           HA       ALA  60   3.153   4.698  19.253
  465    HB1  ALA  60           HB3      ALA  60   5.482   3.121  18.029
  466    HB2  ALA  60           HB1      ALA  60   4.549   2.637  19.450
  467    HB3  ALA  60           HB2      ALA  60   3.764   2.702  17.868
  468    HA   PRO  61           HA       PRO  61   6.324   6.643  21.848
  469    HB2  PRO  61           HB2      PRO  61   6.637   3.915  23.131
  470    HB3  PRO  61           HB3      PRO  61   6.563   5.522  23.917
  471    HG2  PRO  61           HG2      PRO  61   4.370   3.943  23.875
  472    HG3  PRO  61           HG3      PRO  61   4.201   5.687  23.481
  473    HD2  PRO  61           HD2      PRO  61   4.373   3.334  21.584
  474    HD3  PRO  61           HD3      PRO  61   3.267   4.742  21.535
  475    H    GLY  62           H        GLY  62   8.368   7.063  21.110
  476    HA2  GLY  62           HA2      GLY  62  10.516   6.689  20.482
  477    HA3  GLY  62           HA3      GLY  62  10.294   4.949  20.624
  478    H    VAL  63           H        VAL  63   7.877   6.144  18.476
  479    HA   VAL  63           HA       VAL  63   9.586   5.474  16.113
  480    HB   VAL  63           HB       VAL  63   6.738   4.574  16.710
  481   HG11  VAL  63          HG11      VAL  63   6.951   3.186  14.652
  482   HG12  VAL  63          HG12      VAL  63   7.069   4.904  14.306
  483   HG13  VAL  63          HG13      VAL  63   8.543   3.919  14.341
  484   HG21  VAL  63          HG23      VAL  63   7.718   2.276  16.767
  485   HG22  VAL  63          HG21      VAL  63   9.345   2.994  16.700
  486   HG23  VAL  63          HG22      VAL  63   8.283   3.290  18.090
  487    H    ALA  64           H        ALA  64   9.592   7.028  14.624
  488    HA   ALA  64           HA       ALA  64   7.302   8.910  14.431
  489    HB1  ALA  64           HB3      ALA  64   9.302   9.965  15.557
  490    HB2  ALA  64           HB1      ALA  64  10.256   9.608  14.100
  491    HB3  ALA  64           HB2      ALA  64   8.887  10.736  14.022
  492    H    MET  65           H        MET  65   7.196   9.976  12.285
  493    HA   MET  65           HA       MET  65   8.462   8.410  10.129
  494    HB2  MET  65           HB2      MET  65   6.215   7.547  10.476
  495    HB3  MET  65           HB3      MET  65   5.546   9.117  10.010
  496    HG2  MET  65           HG2      MET  65   7.068   8.741   7.860
  497    HG3  MET  65           HG3      MET  65   7.073   7.067   8.393
  498    HE1  MET  65           HE3      MET  65   4.665   5.837   8.993
  499    HE2  MET  65           HE1      MET  65   3.799   7.276   9.609
  500    HE3  MET  65           HE2      MET  65   3.122   6.345   8.258
  501    HA   PRO  66           HA       PRO  66   8.658  13.122  10.140
  502    HB2  PRO  66           HB2      PRO  66  11.436  12.540   9.038
  503    HB3  PRO  66           HB3      PRO  66  10.927  13.868  10.129
  504    HG2  PRO  66           HG2      PRO  66  12.128  11.702  11.171
  505    HG3  PRO  66           HG3      PRO  66  10.667  12.360  11.970
  506    HD2  PRO  66           HD2      PRO  66  10.868  10.014  10.066
  507    HD3  PRO  66           HD3      PRO  66  10.011  10.131  11.625
  508    H    HIS  67           H        HIS  67   8.515  14.605   8.532
  509    HA   HIS  67           HA       HIS  67   8.632  14.376   5.732
  510    HB2  HIS  67           HB2      HIS  67   7.053  12.544   5.805
  511    HB3  HIS  67           HB3      HIS  67   6.091  13.313   7.043
  512    HD1  HIS  67           HD1      HIS  67   4.061  14.740   6.246
  513    HD2  HIS  67           HD2      HIS  67   6.758  13.751   3.159
  514    HE1  HIS  67           HE1      HIS  67   2.938  15.361   4.065
  515    H    ALA  68           H        ALA  68   7.522  16.266   4.787
  516    HA   ALA  68           HA       ALA  68   6.064  18.095   6.552
  517    HB1  ALA  68           HB3      ALA  68   7.354  20.051   5.683
  518    HB2  ALA  68           HB1      ALA  68   8.333  19.018   6.728
  519    HB3  ALA  68           HB2      ALA  68   8.534  18.941   4.964
  520    H    ARG  69           H        ARG  69   4.879  19.667   5.201
  521    HA   ARG  69           HA       ARG  69   3.542  18.502   3.047
  522    HB2  ARG  69           HB2      ARG  69   2.750  20.821   2.528
  523    HB3  ARG  69           HB3      ARG  69   2.564  20.304   4.213
  524    HG2  ARG  69           HG2      ARG  69   4.605  21.596   4.816
  525    HG3  ARG  69           HG3      ARG  69   4.701  22.200   3.155
  526    HD2  ARG  69           HD2      ARG  69   2.713  23.492   3.413
  527    HD3  ARG  69           HD3      ARG  69   2.200  22.573   4.827
  528    HE   ARG  69           HE       ARG  69   3.893  23.565   6.159
  529   HH11  ARG  69          HH11      ARG  69   3.336  25.380   3.096
  530   HH12  ARG  69          HH12      ARG  69   4.265  26.726   3.639
  531   HH21  ARG  69          HH21      ARG  69   5.040  25.397   6.818
  532   HH22  ARG  69          HH22      ARG  69   5.187  26.767   5.788
  533    HA   PRO  70           HA       PRO  70   6.382  18.239  -0.284
  534    HB2  PRO  70           HB2      PRO  70   4.121  19.522  -1.900
  535    HB3  PRO  70           HB3      PRO  70   5.188  18.187  -2.385
  536    HG2  PRO  70           HG2      PRO  70   2.711  17.677  -1.421
  537    HG3  PRO  70           HG3      PRO  70   4.084  16.686  -0.833
  538    HD2  PRO  70           HD2      PRO  70   2.676  18.961   0.545
  539    HD3  PRO  70           HD3      PRO  70   3.364  17.453   1.223
  540    H    GLU  71           H        GLU  71   4.477  21.291  -0.273
  541    HA   GLU  71           HA       GLU  71   6.216  22.888  -1.781
  542    HB2  GLU  71           HB2      GLU  71   4.863  24.759  -0.859
  543    HB3  GLU  71           HB3      GLU  71   3.916  23.416  -1.505
  544    HG2  GLU  71           HG2      GLU  71   3.517  22.585   0.817
  545    HG3  GLU  71           HG3      GLU  71   4.471  23.929   1.445
  546    H    CYS  72           H        CYS  72   6.890  21.710   1.337
  547    HA   CYS  72           HA       CYS  72   8.505  24.016   2.202
  548    HB2  CYS  72           HB2      CYS  72   8.165  21.183   3.273
  549    HB3  CYS  72           HB3      CYS  72   9.362  22.320   3.908
  550    HG   CYS  72           HG       CYS  72   7.727  24.258   4.467
  551    H    GLY  73           H        GLY  73   8.914  21.726  -0.255
  552    HA2  GLY  73           HA2      GLY  73  10.978  22.445  -1.484
  553    HA3  GLY  73           HA3      GLY  73  11.901  21.991  -0.050
  554    H    ALA  74           H        ALA  74   9.191  19.885  -0.794
  555    HA   ALA  74           HA       ALA  74  10.949  17.662  -1.476
  556    HB1  ALA  74           HB3      ALA  74   8.917  16.458  -1.932
  557    HB2  ALA  74           HB1      ALA  74   8.728  17.336  -0.399
  558    HB3  ALA  74           HB2      ALA  74   7.971  17.955  -1.894
  559    H    LEU  75           H        LEU  75  11.337  16.816  -3.482
  560    HA   LEU  75           HA       LEU  75  10.676  18.519  -5.856
  561    HB2  LEU  75           HB2      LEU  75  13.251  17.030  -5.230
  562    HB3  LEU  75           HB3      LEU  75  12.929  17.950  -6.694
  563    HG   LEU  75           HG       LEU  75  13.131  19.108  -3.877
  564   HD11  LEU  75          HD11      LEU  75  15.069  19.211  -6.230
  565   HD12  LEU  75          HD12      LEU  75  15.250  20.099  -4.700
  566   HD13  LEU  75          HD13      LEU  75  15.294  18.335  -4.702
  567   HD21  LEU  75          HD23      LEU  75  11.637  20.494  -5.272
  568   HD22  LEU  75          HD21      LEU  75  13.176  21.317  -5.036
  569   HD23  LEU  75          HD22      LEU  75  12.837  20.509  -6.583
  570    H    LYS  76           H        LYS  76  11.254  15.263  -4.549
  571    HA   LYS  76           HA       LYS  76   9.707  14.095  -6.759
  572    HB2  LYS  76           HB2      LYS  76  12.379  13.160  -5.666
  573    HB3  LYS  76           HB3      LYS  76  11.346  12.159  -6.697
  574    HG2  LYS  76           HG2      LYS  76  11.690  13.674  -8.573
  575    HG3  LYS  76           HG3      LYS  76  12.537  14.835  -7.541
  576    HD2  LYS  76           HD2      LYS  76  14.139  13.604  -8.876
  577    HD3  LYS  76           HD3      LYS  76  14.368  13.281  -7.152
  578    HE2  LYS  76           HE2      LYS  76  13.155  11.119  -7.399
  579    HE3  LYS  76           HE3      LYS  76  12.915  11.450  -9.120
  580    HZ1  LYS  76           HZ3      LYS  76  15.321  11.384  -9.401
  581    HZ2  LYS  76           HZ1      LYS  76  15.552  11.102  -7.803
  582    HZ3  LYS  76           HZ2      LYS  76  14.803   9.993  -8.735
  583    H    THR  77           H        THR  77   8.918  11.790  -5.985
  584    HA   THR  77           HA       THR  77   8.335  11.914  -3.140
  585    HB   THR  77           HB       THR  77   7.193  10.363  -5.486
  586    HG1  THR  77           HG1      THR  77   5.818  11.896  -5.629
  587   HG21  THR  77          HG23      THR  77   6.223  10.520  -2.609
  588   HG22  THR  77          HG21      THR  77   5.384   9.716  -3.969
  589   HG23  THR  77          HG22      THR  77   6.934   9.094  -3.406
  590    H    GLY  78           H        GLY  78   9.549  10.667  -1.722
  591    HA2  GLY  78           HA2      GLY  78  10.324   8.004  -2.376
  592    HA3  GLY  78           HA3      GLY  78  11.730   9.080  -2.425
  593    H    MET  79           H        MET  79  12.086   7.251  -0.549
  594    HA   MET  79           HA       MET  79  11.291   8.458   2.068
  595    HB2  MET  79           HB2      MET  79  11.002   5.565   1.189
  596    HB3  MET  79           HB3      MET  79  10.812   6.102   2.849
  597    HG2  MET  79           HG2      MET  79   8.844   7.362   2.319
  598    HG3  MET  79           HG3      MET  79   9.074   7.110   0.580
  599    HE1  MET  79           HE3      MET  79   6.747   6.267   0.270
  600    HE2  MET  79           HE1      MET  79   6.034   4.827   1.019
  601    HE3  MET  79           HE2      MET  79   6.274   6.307   1.974
  602    H    SER  80           H        SER  80  12.427   7.460   3.917
  603    HA   SER  80           HA       SER  80  15.007   6.143   3.403
  604    HB2  SER  80           HB2      SER  80  15.944   7.917   5.113
  605    HB3  SER  80           HB3      SER  80  15.830   8.341   3.399
  606    HG   SER  80           HG       SER  80  14.853   9.767   5.261
  607    H    LEU  81           H        LEU  81  15.880   5.242   5.480
  608    HA   LEU  81           HA       LEU  81  13.862   4.927   7.665
  609    HB2  LEU  81           HB2      LEU  81  14.942   2.857   5.827
  610    HB3  LEU  81           HB3      LEU  81  15.215   2.488   7.521
  611    HG   LEU  81           HG       LEU  81  12.757   2.765   7.921
  612   HD11  LEU  81          HD11      LEU  81  11.316   2.480   5.795
  613   HD12  LEU  81          HD12      LEU  81  12.012   4.074   6.027
  614   HD13  LEU  81          HD13      LEU  81  12.754   2.971   4.863
  615   HD21  LEU  81          HD23      LEU  81  13.703   0.549   7.722
  616   HD22  LEU  81          HD21      LEU  81  12.165   0.567   6.868
  617   HD23  LEU  81          HD22      LEU  81  13.689   0.640   5.953
  618    H    THR  82           H        THR  82  14.817   5.240   9.644
  619    HA   THR  82           HA       THR  82  17.788   5.067   9.852
  620    HB   THR  82           HB       THR  82  15.925   7.220  10.944
  621    HG1  THR  82           HG1      THR  82  16.021   7.457   8.749
  622   HG21  THR  82          HG23      THR  82  18.958   7.052  10.825
  623   HG22  THR  82          HG21      THR  82  18.013   8.467  11.366
  624   HG23  THR  82          HG22      THR  82  17.920   6.947  12.268
  625    H    LEU  83           H        LEU  83  18.453   4.048  11.712
  626    HA   LEU  83           HA       LEU  83  16.509   3.940  13.963
  627    HB2  LEU  83           HB2      LEU  83  16.925   1.615  12.855
  628    HB3  LEU  83           HB3      LEU  83  18.566   1.761  13.498
  629    HG   LEU  83           HG       LEU  83  17.338   2.271  15.793
  630   HD11  LEU  83          HD11      LEU  83  15.078   0.769  14.394
  631   HD12  LEU  83          HD12      LEU  83  15.153   1.418  16.067
  632   HD13  LEU  83          HD13      LEU  83  15.108   2.510  14.697
  633   HD21  LEU  83          HD23      LEU  83  17.138  -0.559  14.843
  634   HD22  LEU  83          HD21      LEU  83  18.654   0.216  15.357
  635   HD23  LEU  83          HD22      LEU  83  17.304   0.043  16.493
  636    H    LEU  84           H        LEU  84  17.347   4.345  15.949
  637    HA   LEU  84           HA       LEU  84  20.197   5.230  16.207
  638    HB2  LEU  84           HB2      LEU  84  17.614   6.445  17.212
  639    HB3  LEU  84           HB3      LEU  84  19.129   6.670  18.088
  640    HG   LEU  84           HG       LEU  84  20.115   7.959  16.387
  641   HD11  LEU  84          HD11      LEU  84  18.899   8.599  14.299
  642   HD12  LEU  84          HD12      LEU  84  19.400   6.913  14.336
  643   HD13  LEU  84          HD13      LEU  84  17.701   7.327  14.657
  644   HD21  LEU  84          HD23      LEU  84  17.199   8.719  16.886
  645   HD22  LEU  84          HD21      LEU  84  18.605   9.109  17.901
  646   HD23  LEU  84          HD22      LEU  84  18.432   9.834  16.294
  647    H    GLU  85           H        GLU  85  21.125   3.687  17.521
  648    HA   GLU  85           HA       GLU  85  19.677   1.698  18.877
  649    HB2  GLU  85           HB2      GLU  85  22.558   2.636  19.180
  650    HB3  GLU  85           HB3      GLU  85  21.913   1.171  19.930
  651    HG2  GLU  85           HG2      GLU  85  21.317   0.263  17.708
  652    HG3  GLU  85           HG3      GLU  85  21.975   1.697  16.925
  653    H    GLN  86           H        GLN  86  20.703   4.850  20.034
  654    HA   GLN  86           HA       GLN  86  19.699   4.224  22.784
  655    HB2  GLN  86           HB2      GLN  86  21.428   6.507  21.724
  656    HB3  GLN  86           HB3      GLN  86  20.910   6.332  23.394
  657    HG2  GLN  86           HG2      GLN  86  22.076   4.158  23.591
  658    HG3  GLN  86           HG3      GLN  86  22.582   4.250  21.906
  659   HE21  GLN  86          HE22      GLN  86  24.165   5.786  21.266
  660   HE22  GLN  86          HE21      GLN  86  25.273   6.492  22.435
  661    H    GLY  87           H        GLY  87  18.619   5.562  19.889
  662    HA2  GLY  87           HA2      GLY  87  17.082   7.105  19.262
  663    HA3  GLY  87           HA3      GLY  87  16.355   6.952  20.867
  664    H    VAL  88           H        VAL  88  16.039   9.376  20.016
  665    HA   VAL  88           HA       VAL  88  17.635  10.818  21.939
  666    HB   VAL  88           HB       VAL  88  18.626  10.933  19.398
  667   HG11  VAL  88          HG11      VAL  88  18.014  12.952  18.296
  668   HG12  VAL  88          HG12      VAL  88  16.599  11.884  18.461
  669   HG13  VAL  88          HG13      VAL  88  16.778  13.322  19.508
  670   HG21  VAL  88          HG23      VAL  88  18.687  13.175  21.418
  671   HG22  VAL  88          HG21      VAL  88  19.725  11.720  21.368
  672   HG23  VAL  88          HG22      VAL  88  19.820  12.918  20.068
  673    H    TYR  89           H        TYR  89  16.448  13.021  22.346
  674    HA   TYR  89           HA       TYR  89  13.609  12.172  22.306
  675    HB2  TYR  89           HB2      TYR  89  14.531  12.324  24.506
  676    HB3  TYR  89           HB3      TYR  89  15.006  14.000  24.232
  677    HD1  TYR  89           HD1      TYR  89  11.654  12.652  23.029
  678    HD2  TYR  89           HD2      TYR  89  13.774  14.903  26.084
  679    HE1  TYR  89           HE1      TYR  89   9.544  13.446  23.927
  680    HE2  TYR  89           HE2      TYR  89  11.616  15.752  26.933
  681    HH   TYR  89           HH       TYR  89   9.283  15.761  26.650
  682    H    PHE  90           H        PHE  90  12.465  12.974  20.826
  683    HA   PHE  90           HA       PHE  90  12.630  15.714  19.777
  684    HB2  PHE  90           HB2      PHE  90  10.913  13.242  19.387
  685    HB3  PHE  90           HB3      PHE  90  10.464  14.798  18.692
  686    HD1  PHE  90           HD1      PHE  90  13.524  12.530  18.758
  687    HD2  PHE  90           HD2      PHE  90  11.043  15.251  16.492
  688    HE1  PHE  90           HE1      PHE  90  14.857  12.079  16.743
  689    HE2  PHE  90           HE2      PHE  90  12.362  14.748  14.471
  690    HZ   PHE  90           HZ       PHE  90  14.295  13.200  14.586
  691    HA   PRO  91           HA       PRO  91  10.345  16.557  23.560
  692    HB2  PRO  91           HB2      PRO  91   9.654  19.214  23.176
  693    HB3  PRO  91           HB3      PRO  91  11.259  18.626  23.699
  694    HG2  PRO  91           HG2      PRO  91  10.364  19.353  20.899
  695    HG3  PRO  91           HG3      PRO  91  11.882  19.816  21.736
  696    HD2  PRO  91           HD2      PRO  91  11.808  17.758  19.976
  697    HD3  PRO  91           HD3      PRO  91  12.791  17.642  21.468
  698    H    GLY  92           H        GLY  92   8.473  15.434  23.682
  699    HA2  GLY  92           HA2      GLY  92   6.009  16.182  23.651
  700    HA3  GLY  92           HA3      GLY  92   6.190  16.115  21.895
  701    H    ASN  93           H        ASN  93   8.020  13.682  22.027
  702    HA   ASN  93           HA       ASN  93   5.900  11.676  22.051
  703    HB2  ASN  93           HB2      ASN  93   7.984  11.631  20.573
  704    HB3  ASN  93           HB3      ASN  93   8.890  11.133  22.000
  705   HD21  ASN  93          HD22      ASN  93   6.364  10.168  19.674
  706   HD22  ASN  93          HD21      ASN  93   6.357   8.476  20.099
  707    H    ASP  94           H        ASP  94   6.059   9.646  23.431
  708    HA   ASP  94           HA       ASP  94   6.231  10.297  26.223
  709    HB2  ASP  94           HB2      ASP  94   4.698   8.584  25.349
  710    HB3  ASP  94           HB3      ASP  94   6.073   7.621  24.800
  711    H    GLU  95           H        GLU  95   8.477   8.815  23.904
  712    HA   GLU  95           HA       GLU  95  10.638   8.962  25.885
  713    HB2  GLU  95           HB2      GLU  95  11.087   6.673  25.842
  714    HB3  GLU  95           HB3      GLU  95   9.328   6.747  25.861
  715    HG2  GLU  95           HG2      GLU  95   9.220   6.290  23.468
  716    HG3  GLU  95           HG3      GLU  95  10.986   6.282  23.366
  717    HA   PRO  96           HA       PRO  96  13.399  10.072  22.626
  718    HB2  PRO  96           HB2      PRO  96  14.967   7.520  23.030
  719    HB3  PRO  96           HB3      PRO  96  15.569   9.200  22.918
  720    HG2  PRO  96           HG2      PRO  96  15.364   8.003  25.328
  721    HG3  PRO  96           HG3      PRO  96  14.826   9.703  25.127
  722    HD2  PRO  96           HD2      PRO  96  13.141   7.187  25.131
  723    HD3  PRO  96           HD3      PRO  96  12.857   8.733  25.995
  724    H    ILE  97           H        ILE  97  13.252   9.907  20.393
  725    HA   ILE  97           HA       ILE  97  11.802   7.656  19.228
  726    HB   ILE  97           HB       ILE  97  13.219   9.936  17.813
  727   HG12  ILE  97          HG12      ILE  97  11.541  10.964  19.159
  728   HG13  ILE  97          HG13      ILE  97  10.918  10.886  17.519
  729   HG21  ILE  97          HG21      ILE  97  12.841   7.958  16.364
  730   HG22  ILE  97          HG22      ILE  97  11.142   7.906  16.841
  731   HG23  ILE  97          HG23      ILE  97  11.761   9.285  15.920
  732   HD11  ILE  97          HD13      ILE  97   9.145  10.363  19.038
  733   HD12  ILE  97          HD11      ILE  97   9.552   8.850  18.222
  734   HD13  ILE  97          HD12      ILE  97  10.101   9.151  19.897
  735    H    LYS  98           H        LYS  98  12.737   5.811  18.762
  736    HA   LYS  98           HA       LYS  98  15.692   5.692  18.378
  737    HB2  LYS  98           HB2      LYS  98  13.687   3.440  18.744
  738    HB3  LYS  98           HB3      LYS  98  15.443   3.299  18.648
  739    HG2  LYS  98           HG2      LYS  98  15.446   4.889  20.746
  740    HG3  LYS  98           HG3      LYS  98  13.732   4.483  20.863
  741    HD2  LYS  98           HD2      LYS  98  14.880   3.001  22.319
  742    HD3  LYS  98           HD3      LYS  98  14.425   2.022  20.909
  743    HE2  LYS  98           HE2      LYS  98  16.722   2.301  19.978
  744    HE3  LYS  98           HE3      LYS  98  17.139   3.368  21.316
  745    HZ1  LYS  98           HZ3      LYS  98  16.566   0.475  21.525
  746    HZ2  LYS  98           HZ1      LYS  98  17.998   1.249  21.768
  747    HZ3  LYS  98           HZ2      LYS  98  16.771   1.456  22.823
  748    H    LEU  99           H        LEU  99  12.673   5.678  16.585
  749    HA   LEU  99           HA       LEU  99  14.120   4.647  14.205
  750    HB2  LEU  99           HB2      LEU  99  12.922   2.796  15.356
  751    HB3  LEU  99           HB3      LEU  99  11.480   3.792  15.466
  752    HG   LEU  99           HG       LEU  99  11.168   3.664  13.027
  753   HD11  LEU  99          HD11      LEU  99  12.435   1.908  11.727
  754   HD12  LEU  99          HD12      LEU  99  13.451   3.270  12.179
  755   HD13  LEU  99          HD13      LEU  99  13.564   1.742  13.057
  756   HD21  LEU  99          HD23      LEU  99  11.494   0.955  14.375
  757   HD22  LEU  99          HD21      LEU  99  10.163   2.081  14.694
  758   HD23  LEU  99          HD22      LEU  99  10.339   1.403  13.095
  759    H    LEU 100           H        LEU 100  13.773   5.766  12.420
  760    HA   LEU 100           HA       LEU 100  11.506   7.695  12.317
  761    HB2  LEU 100           HB2      LEU 100  14.321   8.521  11.514
  762    HB3  LEU 100           HB3      LEU 100  12.883   9.487  11.686
  763    HG   LEU 100           HG       LEU 100  13.050   8.556  14.202
  764   HD11  LEU 100          HD11      LEU 100  15.360   8.495  15.013
  765   HD12  LEU 100          HD12      LEU 100  15.162   7.259  13.762
  766   HD13  LEU 100          HD13      LEU 100  15.968   8.783  13.368
  767   HD21  LEU 100          HD23      LEU 100  12.952  10.939  13.562
  768   HD22  LEU 100          HD21      LEU 100  14.017  10.599  14.936
  769   HD23  LEU 100          HD22      LEU 100  14.717  10.917  13.339
  770    H    ILE 101           H        ILE 101  10.409   7.097  10.545
  771    HA   ILE 101           HA       ILE 101  11.871   6.171   8.121
  772    HB   ILE 101           HB       ILE 101   9.015   5.955   9.146
  773   HG12  ILE 101          HG12      ILE 101   9.253   3.633   8.884
  774   HG13  ILE 101          HG13      ILE 101  10.694   3.778   7.904
  775   HG21  ILE 101          HG21      ILE 101   8.880   6.665   6.778
  776   HG22  ILE 101          HG22      ILE 101   9.865   5.268   6.326
  777   HG23  ILE 101          HG23      ILE 101   8.270   5.054   7.117
  778   HD11  ILE 101          HD13      ILE 101  12.073   4.262   9.808
  779   HD12  ILE 101          HD11      ILE 101  10.645   4.376  10.869
  780   HD13  ILE 101          HD12      ILE 101  11.100   2.825  10.129
  781    H    GLY 102           H        GLY 102  12.420   7.812   6.758
  782    HA2  GLY 102           HA2      GLY 102  11.069  10.422   6.910
  783    HA3  GLY 102           HA3      GLY 102  12.462  10.012   5.920
  784    H    LEU 103           H        LEU 103   9.771  11.220   5.213
  785    HA   LEU 103           HA       LEU 103   9.411   9.642   2.734
  786    HB2  LEU 103           HB2      LEU 103   7.529   9.205   4.501
  787    HB3  LEU 103           HB3      LEU 103   7.098  10.876   4.251
  788    HG   LEU 103           HG       LEU 103   6.746   8.515   2.321
  789   HD11  LEU 103          HD11      LEU 103   5.077   9.171   4.167
  790   HD12  LEU 103          HD12      LEU 103   4.895  10.735   3.370
  791   HD13  LEU 103          HD13      LEU 103   4.419   9.254   2.530
  792   HD21  LEU 103          HD23      LEU 103   7.490  10.103   0.813
  793   HD22  LEU 103          HD21      LEU 103   5.745  10.218   0.742
  794   HD23  LEU 103          HD22      LEU 103   6.619  11.462   1.622
  795    H    SER 104           H        SER 104   9.230  11.021   1.006
  796    HA   SER 104           HA       SER 104   8.890  13.930   1.326
  797    HB2  SER 104           HB2      SER 104  10.614  14.218  -0.464
  798    HB3  SER 104           HB3      SER 104  11.262  13.660   1.093
  799    HG   SER 104           HG       SER 104  11.018  11.465   0.097
  800    H    ALA 105           H        ALA 105   7.571  14.755  -0.406
  801    HA   ALA 105           HA       ALA 105   6.664  12.815  -2.442
  802    HB1  ALA 105           HB3      ALA 105   5.173  12.435  -0.528
  803    HB2  ALA 105           HB1      ALA 105   4.851  14.187  -0.422
  804    HB3  ALA 105           HB2      ALA 105   4.319  13.269  -1.844
  805    H    ALA 106           H        ALA 106   6.253  13.846  -4.338
  806    HA   ALA 106           HA       ALA 106   6.840  16.669  -4.495
  807    HB1  ALA 106           HB3      ALA 106   6.490  16.328  -6.929
  808    HB2  ALA 106           HB1      ALA 106   7.554  15.080  -6.256
  809    HB3  ALA 106           HB2      ALA 106   5.851  14.700  -6.616
  810    H    ASP 107           H        ASP 107   3.919  14.744  -4.171
  811    HA   ASP 107           HA       ASP 107   2.282  17.213  -4.185
  812    HB2  ASP 107           HB2      ASP 107   2.092  16.334  -6.484
  813    HB3  ASP 107           HB3      ASP 107   1.648  14.747  -5.857
  814    H    ALA 108           H        ALA 108   0.259  16.927  -3.004
  815    HA   ALA 108           HA       ALA 108   0.599  15.471  -0.637
  816    HB1  ALA 108           HB3      ALA 108  -0.813  17.476  -0.785
  817    HB2  ALA 108           HB1      ALA 108  -1.969  16.599  -1.822
  818    HB3  ALA 108           HB2      ALA 108  -1.732  16.100  -0.135
  819    H    ASP 109           H        ASP 109  -1.003  14.455  -3.665
  820    HA   ASP 109           HA       ASP 109  -2.292  12.169  -2.366
  821    HB2  ASP 109           HB2      ASP 109  -3.363  13.107  -4.253
  822    HB3  ASP 109           HB3      ASP 109  -1.911  12.896  -5.263
  823    H    SER 110           H        SER 110   0.731  12.789  -4.122
  824    HA   SER 110           HA       SER 110   1.641  10.071  -4.256
  825    HB2  SER 110           HB2      SER 110   3.412  12.525  -3.896
  826    HB3  SER 110           HB3      SER 110   3.787  11.002  -4.699
  827    HG   SER 110           HG       SER 110   2.300  11.534  -6.324
  828    H    HIS 111           H        HIS 111   1.904  12.655  -1.789
  829    HA   HIS 111           HA       HIS 111   3.256  11.214   0.243
  830    HB2  HIS 111           HB2      HIS 111   3.103  13.383   0.869
  831    HB3  HIS 111           HB3      HIS 111   1.608  13.634  -0.012
  832    HD1  HIS 111           HD1      HIS 111  -0.598  13.648   1.312
  833    HD2  HIS 111           HD2      HIS 111   2.793  12.462   3.497
  834    HE1  HIS 111           HE1      HIS 111  -1.285  13.677   3.781
  835    H    ILE 112           H        ILE 112  -0.287  11.480  -0.392
  836    HA   ILE 112           HA       ILE 112  -1.102   9.905   1.786
  837    HB   ILE 112           HB       ILE 112  -2.235  10.628  -0.922
  838   HG12  ILE 112          HG12      ILE 112  -2.162  12.269   1.000
  839   HG13  ILE 112          HG13      ILE 112  -3.723  12.037   0.233
  840   HG21  ILE 112          HG21      ILE 112  -4.438   9.698  -0.315
  841   HG22  ILE 112          HG22      ILE 112  -3.210   8.510  -0.746
  842   HG23  ILE 112          HG23      ILE 112  -3.635   8.761   0.972
  843   HD11  ILE 112          HD13      ILE 112  -4.505  10.692   2.079
  844   HD12  ILE 112          HD11      ILE 112  -2.886  10.649   2.812
  845   HD13  ILE 112          HD12      ILE 112  -3.789  12.188   2.716
  846    H    GLY 113           H        GLY 113  -0.256   8.738  -1.563
  847    HA2  GLY 113           HA2      GLY 113  -0.871   6.011  -0.790
  848    HA3  GLY 113           HA3      GLY 113   0.022   6.528  -2.249
  849    H    ALA 114           H        ALA 114   2.076   7.992  -0.745
  850    HA   ALA 114           HA       ALA 114   3.965   5.904  -0.170
  851    HB1  ALA 114           HB3      ALA 114   3.899   8.905   0.356
  852    HB2  ALA 114           HB1      ALA 114   5.321   7.890   0.596
  853    HB3  ALA 114           HB2      ALA 114   4.641   8.090  -1.022
  854    H    ILE 115           H        ILE 115   2.071   8.119   1.988
  855    HA   ILE 115           HA       ILE 115   2.976   7.230   4.466
  856    HB   ILE 115           HB       ILE 115   0.521   8.372   3.315
  857   HG12  ILE 115          HG12      ILE 115   2.412   9.908   3.698
  858   HG13  ILE 115          HG13      ILE 115   0.953  10.359   4.561
  859   HG21  ILE 115          HG21      ILE 115  -0.559   7.104   4.877
  860   HG22  ILE 115          HG22      ILE 115   0.632   7.470   6.153
  861   HG23  ILE 115          HG23      ILE 115  -0.498   8.733   5.539
  862   HD11  ILE 115          HD13      ILE 115   1.911   9.458   6.670
  863   HD12  ILE 115          HD11      ILE 115   3.371   8.995   5.766
  864   HD13  ILE 115          HD12      ILE 115   2.944  10.702   5.938
  865    H    GLN 116           H        GLN 116   0.348   6.026   2.312
  866    HA   GLN 116           HA       GLN 116  -0.508   3.944   4.066
  867    HB2  GLN 116           HB2      GLN 116  -0.941   4.567   1.124
  868    HB3  GLN 116           HB3      GLN 116  -1.652   3.133   1.892
  869    HG2  GLN 116           HG2      GLN 116  -2.776   4.566   3.545
  870    HG3  GLN 116           HG3      GLN 116  -2.028   5.991   2.809
  871   HE21  GLN 116          HE22      GLN 116  -2.615   6.605   0.668
  872   HE22  GLN 116          HE21      GLN 116  -4.146   6.107  -0.052
  873    H    ALA 117           H        ALA 117   2.438   4.065   2.285
  874    HA   ALA 117           HA       ALA 117   2.579   1.147   2.130
  875    HB1  ALA 117           HB3      ALA 117   4.742   1.546   0.998
  876    HB2  ALA 117           HB1      ALA 117   3.425   2.389   0.159
  877    HB3  ALA 117           HB2      ALA 117   4.532   3.292   1.204
  878    H    LEU 118           H        LEU 118   3.835   4.023   3.797
  879    HA   LEU 118           HA       LEU 118   5.726   2.538   5.362
  880    HB2  LEU 118           HB2      LEU 118   4.449   5.282   5.773
  881    HB3  LEU 118           HB3      LEU 118   5.829   4.669   6.701
  882    HG   LEU 118           HG       LEU 118   5.756   4.943   3.674
  883   HD11  LEU 118          HD11      LEU 118   6.952   6.792   5.758
  884   HD12  LEU 118          HD12      LEU 118   7.294   6.878   4.021
  885   HD13  LEU 118          HD13      LEU 118   5.640   7.120   4.621
  886   HD21  LEU 118          HD23      LEU 118   7.481   3.526   3.815
  887   HD22  LEU 118          HD21      LEU 118   8.432   4.864   4.443
  888   HD23  LEU 118          HD22      LEU 118   7.691   3.689   5.550
  889    H    SER 119           H        SER 119   2.365   3.526   5.822
  890    HA   SER 119           HA       SER 119   2.053   2.714   8.494
  891    HB2  SER 119           HB2      SER 119   0.023   2.543   6.223
  892    HB3  SER 119           HB3      SER 119  -0.340   2.588   7.957
  893    HG   SER 119           HG       SER 119   0.874   4.635   6.379
  894    H    GLU 120           H        GLU 120   2.613   0.657   5.671
  895    HA   GLU 120           HA       GLU 120   1.389  -1.705   6.750
  896    HB2  GLU 120           HB2      GLU 120   3.684  -1.461   4.776
  897    HB3  GLU 120           HB3      GLU 120   2.810  -2.937   5.141
  898    HG2  GLU 120           HG2      GLU 120   1.472  -0.445   4.052
  899    HG3  GLU 120           HG3      GLU 120   2.090  -1.741   3.029
  900    H    LEU 121           H        LEU 121   4.336   0.052   7.308
  901    HA   LEU 121           HA       LEU 121   5.552  -2.187   8.842
  902    HB2  LEU 121           HB2      LEU 121   6.741   0.435   7.850
  903    HB3  LEU 121           HB3      LEU 121   7.606  -0.797   8.755
  904    HG   LEU 121           HG       LEU 121   6.510  -0.978   5.921
  905   HD11  LEU 121          HD11      LEU 121   8.639   0.175   6.142
  906   HD12  LEU 121          HD12      LEU 121   9.311  -1.145   7.120
  907   HD13  LEU 121          HD13      LEU 121   8.928  -1.414   5.411
  908   HD21  LEU 121          HD23      LEU 121   7.403  -3.265   5.764
  909   HD22  LEU 121          HD21      LEU 121   7.777  -3.264   7.492
  910   HD23  LEU 121          HD22      LEU 121   6.091  -3.193   6.937
  911    H    LEU 122           H        LEU 122   5.226   1.408   9.269
  912    HA   LEU 122           HA       LEU 122   5.814   1.139  12.077
  913    HB2  LEU 122           HB2      LEU 122   4.814   3.500  10.478
  914    HB3  LEU 122           HB3      LEU 122   5.333   3.542  12.168
  915    HG   LEU 122           HG       LEU 122   7.012   3.045   9.702
  916   HD11  LEU 122          HD11      LEU 122   6.772   5.341  10.324
  917   HD12  LEU 122          HD12      LEU 122   7.095   4.995  12.042
  918   HD13  LEU 122          HD13      LEU 122   8.384   4.852  10.878
  919   HD21  LEU 122          HD23      LEU 122   7.823   1.304  11.174
  920   HD22  LEU 122          HD21      LEU 122   8.969   2.629  11.236
  921   HD23  LEU 122          HD22      LEU 122   7.828   2.407  12.568
  922    H    CYS 123           H        CYS 123   2.882   0.322  10.672
  923    HA   CYS 123           HA       CYS 123   1.507   0.867  13.260
  924    HB2  CYS 123           HB2      CYS 123   0.169   0.332  10.585
  925    HB3  CYS 123           HB3      CYS 123  -0.613   0.802  12.088
  926    HG   CYS 123           HG       CYS 123  -0.720   2.821  10.450
  927    H    GLU 124           H        GLU 124   3.334  -1.335  12.590
  928    HA   GLU 124           HA       GLU 124   1.544  -3.612  13.087
  929    HB2  GLU 124           HB2      GLU 124   2.097  -3.314  10.606
  930    HB3  GLU 124           HB3      GLU 124   3.781  -3.636  11.015
  931    HG2  GLU 124           HG2      GLU 124   2.749  -5.614  10.189
  932    HG3  GLU 124           HG3      GLU 124   3.141  -5.838  11.902
  933    H    GLU 125           H        GLU 125   2.088  -3.832  15.168
  934    HA   GLU 125           HA       GLU 125   4.550  -3.165  16.275
  935    HB2  GLU 125           HB2      GLU 125   3.781  -4.246  18.296
  936    HB3  GLU 125           HB3      GLU 125   2.477  -3.334  17.540
  937    HG2  GLU 125           HG2      GLU 125   1.569  -5.472  16.586
  938    HG3  GLU 125           HG3      GLU 125   2.848  -6.362  17.412
  939    H    GLU 126           H        GLU 126   3.693  -6.099  14.608
  940    HA   GLU 126           HA       GLU 126   5.738  -7.811  15.614
  941    HB2  GLU 126           HB2      GLU 126   4.404  -7.696  12.878
  942    HB3  GLU 126           HB3      GLU 126   5.471  -8.999  13.403
  943    HG2  GLU 126           HG2      GLU 126   2.893  -8.209  14.803
  944    HG3  GLU 126           HG3      GLU 126   3.021  -9.479  13.588
  945    H    ILE 127           H        ILE 127   5.564  -5.575  12.863
  946    HA   ILE 127           HA       ILE 127   8.278  -5.916  11.959
  947    HB   ILE 127           HB       ILE 127   6.001  -4.096  11.372
  948   HG12  ILE 127          HG12      ILE 127   6.302  -4.852   9.088
  949   HG13  ILE 127          HG13      ILE 127   7.762  -5.750   9.534
  950   HG21  ILE 127          HG21      ILE 127   8.854  -3.556  10.550
  951   HG22  ILE 127          HG22      ILE 127   7.458  -2.918   9.670
  952   HG23  ILE 127          HG23      ILE 127   7.696  -2.451  11.343
  953   HD11  ILE 127          HD13      ILE 127   6.430  -7.344  10.812
  954   HD12  ILE 127          HD11      ILE 127   4.972  -6.340  10.579
  955   HD13  ILE 127          HD12      ILE 127   5.724  -7.162   9.198
  956    H    LEU 128           H        LEU 128   6.576  -3.581  14.092
  957    HA   LEU 128           HA       LEU 128   8.589  -1.691  14.241
  958    HB2  LEU 128           HB2      LEU 128   6.674  -2.550  16.450
  959    HB3  LEU 128           HB3      LEU 128   7.771  -1.193  16.612
  960    HG   LEU 128           HG       LEU 128   5.519  -1.379  14.577
  961   HD11  LEU 128          HD11      LEU 128   4.804  -0.950  16.920
  962   HD12  LEU 128          HD12      LEU 128   5.921   0.426  17.002
  963   HD13  LEU 128          HD13      LEU 128   4.544   0.455  15.880
  964   HD21  LEU 128          HD23      LEU 128   7.686   0.714  15.004
  965   HD22  LEU 128          HD21      LEU 128   7.233  -0.117  13.499
  966   HD23  LEU 128          HD22      LEU 128   6.137   1.070  14.216
  967    H    GLU 129           H        GLU 129   8.431  -4.658  16.207
  968    HA   GLU 129           HA       GLU 129  10.721  -3.955  17.768
  969    HB2  GLU 129           HB2      GLU 129   9.049  -6.413  17.387
  970    HB3  GLU 129           HB3      GLU 129  10.708  -6.655  17.956
  971    HG2  GLU 129           HG2      GLU 129  10.385  -5.063  19.783
  972    HG3  GLU 129           HG3      GLU 129   8.721  -4.760  19.262
  973    H    GLN 130           H        GLN 130  10.281  -5.591  14.627
  974    HA   GLN 130           HA       GLN 130  12.932  -6.708  14.595
  975    HB2  GLN 130           HB2      GLN 130  10.768  -6.342  12.488
  976    HB3  GLN 130           HB3      GLN 130  12.304  -7.198  12.201
  977    HG2  GLN 130           HG2      GLN 130  11.812  -8.843  13.873
  978    HG3  GLN 130           HG3      GLN 130  10.349  -7.995  14.376
  979   HE21  GLN 130          HE22      GLN 130   8.442  -8.441  13.342
  980   HE22  GLN 130          HE21      GLN 130   8.284  -9.546  11.988
  981    H    LEU 131           H        LEU 131  11.411  -3.680  13.484
  982    HA   LEU 131           HA       LEU 131  13.817  -2.627  12.189
  983    HB2  LEU 131           HB2      LEU 131  11.441  -1.219  13.460
  984    HB3  LEU 131           HB3      LEU 131  12.712  -0.418  12.554
  985    HG   LEU 131           HG       LEU 131  10.946  -2.604  11.323
  986   HD11  LEU 131          HD11      LEU 131  10.392   0.363  11.229
  987   HD12  LEU 131          HD12      LEU 131   9.407  -0.942  10.562
  988   HD13  LEU 131          HD13      LEU 131   9.582  -0.790  12.331
  989   HD21  LEU 131          HD23      LEU 131  12.480  -0.278  10.085
  990   HD22  LEU 131          HD21      LEU 131  12.945  -1.991  10.011
  991   HD23  LEU 131          HD22      LEU 131  11.477  -1.438   9.196
  992    H    LEU 132           H        LEU 132  12.132  -2.059  15.302
  993    HA   LEU 132           HA       LEU 132  14.014  -0.333  16.432
  994    HB2  LEU 132           HB2      LEU 132  12.040  -2.207  17.733
  995    HB3  LEU 132           HB3      LEU 132  13.056  -1.172  18.703
  996    HG   LEU 132           HG       LEU 132  11.251  -0.023  16.545
  997   HD11  LEU 132          HD11      LEU 132   9.871  -1.229  18.210
  998   HD12  LEU 132          HD12      LEU 132  10.677  -0.348  19.524
  999   HD13  LEU 132          HD13      LEU 132   9.666   0.523  18.348
 1000   HD21  LEU 132          HD23      LEU 132  13.088   1.458  17.302
 1001   HD22  LEU 132          HD21      LEU 132  11.514   2.063  17.833
 1002   HD23  LEU 132          HD22      LEU 132  12.577   1.232  18.986
 1003    H    THR 133           H        THR 133  14.616  -3.647  15.880
 1004    HA   THR 133           HA       THR 133  16.871  -3.622  17.809
 1005    HB   THR 133           HB       THR 133  16.686  -6.103  17.727
 1006    HG1  THR 133           HG1      THR 133  14.145  -5.677  16.572
 1007   HG21  THR 133          HG23      THR 133  14.120  -4.737  18.677
 1008   HG22  THR 133          HG21      THR 133  14.720  -6.329  19.168
 1009   HG23  THR 133          HG22      THR 133  15.636  -4.872  19.588
 1010    H    ALA 134           H        ALA 134  16.515  -2.672  14.826
 1011    HA   ALA 134           HA       ALA 134  18.004  -4.326  13.153
 1012    HB1  ALA 134           HB3      ALA 134  18.352  -2.427  11.722
 1013    HB2  ALA 134           HB1      ALA 134  16.666  -2.562  12.264
 1014    HB3  ALA 134           HB2      ALA 134  17.757  -1.332  12.964
 1015    H    SER 135           H        SER 135  19.782  -5.233  13.988
 1016    HA   SER 135           HA       SER 135  21.787  -3.665  15.400
 1017    HB2  SER 135           HB2      SER 135  21.725  -6.569  14.479
 1018    HB3  SER 135           HB3      SER 135  22.894  -5.868  15.615
 1019    HG   SER 135           HG       SER 135  20.072  -5.763  16.028
 1020    H    SER 136           H        SER 136  21.151  -4.350  12.093
 1021    HA   SER 136           HA       SER 136  23.644  -3.080  11.253
 1022    HB2  SER 136           HB2      SER 136  22.688  -5.737  10.077
 1023    HB3  SER 136           HB3      SER 136  24.073  -4.779   9.530
 1024    HG   SER 136           HG       SER 136  24.691  -6.539  10.860
 1025    H    GLU 137           H        GLU 137  23.311  -2.089   9.196
 1026    HA   GLU 137           HA       GLU 137  20.795  -1.033   8.598
 1027    HB2  GLU 137           HB2      GLU 137  23.160  -1.497   6.714
 1028    HB3  GLU 137           HB3      GLU 137  21.842  -0.374   6.473
 1029    HG2  GLU 137           HG2      GLU 137  23.291   1.115   7.245
 1030    HG3  GLU 137           HG3      GLU 137  22.648   0.626   8.800
 1031    H    LYS 138           H        LYS 138  22.237  -4.031   7.353
 1032    HA   LYS 138           HA       LYS 138  20.421  -4.624   5.318
 1033    HB2  LYS 138           HB2      LYS 138  22.470  -5.854   5.792
 1034    HB3  LYS 138           HB3      LYS 138  21.720  -6.598   7.216
 1035    HG2  LYS 138           HG2      LYS 138  20.200  -7.862   5.908
 1036    HG3  LYS 138           HG3      LYS 138  20.356  -6.787   4.503
 1037    HD2  LYS 138           HD2      LYS 138  22.622  -7.508   4.110
 1038    HD3  LYS 138           HD3      LYS 138  22.583  -8.572   5.539
 1039    HE2  LYS 138           HE2      LYS 138  20.717  -9.865   4.511
 1040    HE3  LYS 138           HE3      LYS 138  20.766  -8.810   3.091
 1041    HZ1  LYS 138           HZ3      LYS 138  23.017  -9.609   2.658
 1042    HZ2  LYS 138           HZ1      LYS 138  22.972 -10.584   3.971
 1043    HZ3  LYS 138           HZ2      LYS 138  21.976 -10.860   2.713
 1044    H    GLN 139           H        GLN 139  19.924  -5.002   8.860
 1045    HA   GLN 139           HA       GLN 139  17.586  -6.512   8.685
 1046    HB2  GLN 139           HB2      GLN 139  19.298  -5.787  10.645
 1047    HB3  GLN 139           HB3      GLN 139  18.062  -4.550  10.923
 1048    HG2  GLN 139           HG2      GLN 139  16.361  -6.335  11.052
 1049    HG3  GLN 139           HG3      GLN 139  17.644  -7.527  10.710
 1050   HE21  GLN 139          HE22      GLN 139  15.801  -6.282  13.261
 1051   HE22  GLN 139          HE21      GLN 139  16.938  -6.565  14.554
 1052    H    LEU 140           H        LEU 140  18.064  -2.929   8.412
 1053    HA   LEU 140           HA       LEU 140  15.213  -2.366   8.721
 1054    HB2  LEU 140           HB2      LEU 140  17.552  -0.776   7.632
 1055    HB3  LEU 140           HB3      LEU 140  15.904  -0.180   7.549
 1056    HG   LEU 140           HG       LEU 140  17.245  -0.932  10.159
 1057   HD11  LEU 140          HD11      LEU 140  18.517   0.885   9.178
 1058   HD12  LEU 140          HD12      LEU 140  17.029   1.814   8.877
 1059   HD13  LEU 140          HD13      LEU 140  17.576   1.493  10.533
 1060   HD21  LEU 140          HD23      LEU 140  14.753   0.708   9.710
 1061   HD22  LEU 140          HD21      LEU 140  14.873  -0.933  10.416
 1062   HD23  LEU 140          HD22      LEU 140  15.566   0.438  11.259
 1063    H    ALA 141           H        ALA 141  17.522  -2.898   6.003
 1064    HA   ALA 141           HA       ALA 141  15.512  -2.473   3.990
 1065    HB1  ALA 141           HB3      ALA 141  17.187  -3.208   2.421
 1066    HB2  ALA 141           HB1      ALA 141  17.913  -2.110   3.605
 1067    HB3  ALA 141           HB2      ALA 141  18.182  -3.877   3.749
 1068    H    ASP 142           H        ASP 142  16.562  -5.423   5.680
 1069    HA   ASP 142           HA       ASP 142  15.314  -7.317   3.999
 1070    HB2  ASP 142           HB2      ASP 142  16.671  -8.028   5.887
 1071    HB3  ASP 142           HB3      ASP 142  15.560  -7.269   7.032
 1072    H    ILE 143           H        ILE 143  13.927  -5.299   6.637
 1073    HA   ILE 143           HA       ILE 143  11.303  -6.350   6.450
 1074    HB   ILE 143           HB       ILE 143  12.570  -3.888   7.684
 1075   HG12  ILE 143          HG12      ILE 143  11.503  -6.474   8.937
 1076   HG13  ILE 143          HG13      ILE 143  13.194  -6.222   8.529
 1077   HG21  ILE 143          HG21      ILE 143   9.734  -4.912   8.047
 1078   HG22  ILE 143          HG22      ILE 143  10.516  -3.630   9.008
 1079   HG23  ILE 143          HG23      ILE 143  10.231  -3.376   7.289
 1080   HD11  ILE 143          HD13      ILE 143  13.172  -4.197  10.069
 1081   HD12  ILE 143          HD11      ILE 143  11.614  -4.829  10.690
 1082   HD13  ILE 143          HD12      ILE 143  13.096  -5.794  10.793
 1083    H    ILE 144           H        ILE 144  12.947  -3.602   4.887
 1084    HA   ILE 144           HA       ILE 144  10.745  -2.521   3.438
 1085    HB   ILE 144           HB       ILE 144  13.669  -2.875   2.716
 1086   HG12  ILE 144          HG12      ILE 144  13.184  -1.298   4.556
 1087   HG13  ILE 144          HG13      ILE 144  14.044  -0.629   3.172
 1088   HG21  ILE 144          HG21      ILE 144  13.483  -1.381   0.863
 1089   HG22  ILE 144          HG22      ILE 144  12.590  -2.832   0.567
 1090   HG23  ILE 144          HG23      ILE 144  11.705  -1.361   1.004
 1091   HD11  ILE 144          HD13      ILE 144  11.075  -0.282   3.699
 1092   HD12  ILE 144          HD11      ILE 144  12.359   0.906   4.015
 1093   HD13  ILE 144          HD12      ILE 144  12.015   0.434   2.355
 1094    H    SER 145           H        SER 145  12.923  -5.231   2.649
 1095    HA   SER 145           HA       SER 145  11.976  -5.533   0.029
 1096    HB2  SER 145           HB2      SER 145  13.374  -7.589   1.805
 1097    HB3  SER 145           HB3      SER 145  13.259  -7.649   0.039
 1098    HG   SER 145           HG       SER 145  14.599  -5.700   1.639
 1099    H    ARG 146           H        ARG 146  10.676  -6.909   3.028
 1100    HA   ARG 146           HA       ARG 146   9.060  -8.922   1.800
 1101    HB2  ARG 146           HB2      ARG 146   8.096  -7.557   4.294
 1102    HB3  ARG 146           HB3      ARG 146   8.129  -9.275   3.886
 1103    HG2  ARG 146           HG2      ARG 146  10.672  -9.135   4.228
 1104    HG3  ARG 146           HG3      ARG 146  10.355  -7.473   4.809
 1105    HD2  ARG 146           HD2      ARG 146   8.898  -8.340   6.577
 1106    HD3  ARG 146           HD3      ARG 146   9.186 -10.003   6.023
 1107    HE   ARG 146           HE       ARG 146  11.733  -8.999   6.496
 1108   HH11  ARG 146          HH11      ARG 146   8.802  -9.442   8.510
 1109   HH12  ARG 146          HH12      ARG 146   9.756  -9.608   9.968
 1110   HH21  ARG 146          HH21      ARG 146  12.851  -9.261   8.369
 1111   HH22  ARG 146          HH22      ARG 146  12.027  -9.508   9.920
 1112    H    GLY 147           H        GLY 147   8.826  -5.482   2.065
 1113    HA2  GLY 147           HA2      GLY 147   6.195  -4.955   2.513
 1114    HA3  GLY 147           HA3      GLY 147   7.321  -3.922   1.619
  Start of MODEL   21
    1    H    MET   1           H1       MET   1   2.007  -1.000  -0.749
    2    HA   MET   1           HA       MET   1   2.360  -1.129  -3.670
    3    HB2  MET   1           HB2      MET   1   2.129   1.261  -2.494
    4    HB3  MET   1           HB3      MET   1   3.782   0.906  -1.938
    5    HG2  MET   1           HG2      MET   1   3.632   2.268  -4.025
    6    HG3  MET   1           HG3      MET   1   4.611   0.820  -4.170
    7    HE1  MET   1           HE3      MET   1   4.656   1.116  -6.782
    8    HE2  MET   1           HE1      MET   1   3.203   1.325  -7.783
    9    HE3  MET   1           HE2      MET   1   3.668   2.586  -6.621
   10    H    ARG   2           H        ARG   2   4.668  -1.336  -4.309
   11    HA   ARG   2           HA       ARG   2   6.140  -3.169  -2.590
   12    HB2  ARG   2           HB2      ARG   2   6.820  -1.635  -5.149
   13    HB3  ARG   2           HB3      ARG   2   8.034  -2.531  -4.238
   14    HG2  ARG   2           HG2      ARG   2   7.364  -3.955  -5.978
   15    HG3  ARG   2           HG3      ARG   2   6.663  -4.617  -4.496
   16    HD2  ARG   2           HD2      ARG   2   4.464  -3.704  -5.104
   17    HD3  ARG   2           HD3      ARG   2   5.175  -2.903  -6.527
   18    HE   ARG   2           HE       ARG   2   5.712  -5.714  -6.574
   19   HH11  ARG   2          HH11      ARG   2   3.044  -3.433  -7.127
   20   HH12  ARG   2          HH12      ARG   2   2.197  -4.469  -8.211
   21   HH21  ARG   2          HH21      ARG   2   4.584  -7.092  -8.025
   22   HH22  ARG   2          HH22      ARG   2   3.095  -6.594  -8.732
   23    H    LEU   3           H        LEU   3   6.908  -2.408  -0.715
   24    HA   LEU   3           HA       LEU   3   7.166   0.332   0.013
   25    HB2  LEU   3           HB2      LEU   3   8.230  -2.281   1.091
   26    HB3  LEU   3           HB3      LEU   3   8.971  -0.805   1.665
   27    HG   LEU   3           HG       LEU   3   7.188  -1.703   3.137
   28   HD11  LEU   3          HD11      LEU   3   6.662   1.105   2.077
   29   HD12  LEU   3          HD12      LEU   3   6.235   0.444   3.669
   30   HD13  LEU   3          HD13      LEU   3   7.927   0.637   3.240
   31   HD21  LEU   3          HD23      LEU   3   4.843  -1.391   2.610
   32   HD22  LEU   3          HD21      LEU   3   5.230  -0.747   1.010
   33   HD23  LEU   3          HD22      LEU   3   5.572  -2.439   1.386
   34    H    SER   4           H        SER   4   9.602  -2.009  -1.175
   35    HA   SER   4           HA       SER   4  11.865  -0.520  -1.066
   36    HB2  SER   4           HB2      SER   4  11.311  -2.313  -3.429
   37    HB3  SER   4           HB3      SER   4  12.773  -2.196  -2.432
   38    HG   SER   4           HG       SER   4  11.465  -4.096  -2.095
   39    H    ASP   5           H        ASP   5   9.175   0.212  -3.241
   40    HA   ASP   5           HA       ASP   5  10.745   1.440  -5.305
   41    HB2  ASP   5           HB2      ASP   5   8.395   0.727  -5.634
   42    HB3  ASP   5           HB3      ASP   5   7.868   1.931  -4.450
   43    H    TYR   6           H        TYR   6   9.591   2.474  -2.135
   44    HA   TYR   6           HA       TYR   6   9.992   5.308  -2.747
   45    HB2  TYR   6           HB2      TYR   6   9.127   3.876  -0.206
   46    HB3  TYR   6           HB3      TYR   6   9.253   5.619  -0.384
   47    HD1  TYR   6           HD2      TYR   6   7.748   6.926  -1.752
   48    HD2  TYR   6           HD1      TYR   6   7.174   2.656  -1.265
   49    HE1  TYR   6           HE2      TYR   6   5.518   7.097  -2.810
   50    HE2  TYR   6           HE1      TYR   6   4.934   2.862  -2.228
   51    HH   TYR   6           HH       TYR   6   3.610   5.949  -3.497
   52    H    PHE   7           H        PHE   7  11.821   2.765  -1.084
   53    HA   PHE   7           HA       PHE   7  13.577   4.752   0.254
   54    HB2  PHE   7           HB2      PHE   7  13.530   1.718   0.403
   55    HB3  PHE   7           HB3      PHE   7  14.574   2.762   1.341
   56    HD1  PHE   7           HD2      PHE   7  11.012   1.976   0.677
   57    HD2  PHE   7           HD1      PHE   7  13.809   3.514   3.562
   58    HE1  PHE   7           HE2      PHE   7   9.167   2.283   2.279
   59    HE2  PHE   7           HE1      PHE   7  11.932   3.873   5.143
   60    HZ   PHE   7           HZ       PHE   7   9.627   3.253   4.527
   61    HA   PRO   8           HA       PRO   8  15.551   4.454  -3.775
   62    HB2  PRO   8           HB2      PRO   8  17.640   6.299  -2.641
   63    HB3  PRO   8           HB3      PRO   8  16.733   6.407  -4.176
   64    HG2  PRO   8           HG2      PRO   8  16.031   7.952  -2.061
   65    HG3  PRO   8           HG3      PRO   8  14.754   7.140  -3.030
   66    HD2  PRO   8           HD2      PRO   8  16.002   6.204  -0.451
   67    HD3  PRO   8           HD3      PRO   8  14.275   6.385  -0.841
   68    H    GLU   9           H        GLU   9  18.104   4.675  -1.294
   69    HA   GLU   9           HA       GLU   9  18.997   1.984  -1.504
   70    HB2  GLU   9           HB2      GLU   9  19.870   2.719  -3.696
   71    HB3  GLU   9           HB3      GLU   9  20.566   4.158  -2.956
   72    HG2  GLU   9           HG2      GLU   9  22.219   2.799  -1.768
   73    HG3  GLU   9           HG3      GLU   9  21.413   1.307  -2.266
   74    H    SER  10           H        SER  10  20.660   5.107  -1.107
   75    HA   SER  10           HA       SER  10  21.876   4.440   1.354
   76    HB2  SER  10           HB2      SER  10  21.267   7.279   0.473
   77    HB3  SER  10           HB3      SER  10  22.730   6.663   1.255
   78    HG   SER  10           HG       SER  10  23.272   5.644  -0.704
   79    H    SER  11           H        SER  11  18.731   4.452   1.087
   80    HA   SER  11           HA       SER  11  17.675   6.558   2.745
   81    HB2  SER  11           HB2      SER  11  15.836   4.476   2.703
   82    HB3  SER  11           HB3      SER  11  15.961   5.796   1.553
   83    HG   SER  11           HG       SER  11  16.773   3.121   1.260
   84    H    ILE  12           H        ILE  12  19.076   3.401   3.301
   85    HA   ILE  12           HA       ILE  12  17.770   2.995   5.863
   86    HB   ILE  12           HB       ILE  12  19.896   1.396   4.364
   87   HG12  ILE  12          HG12      ILE  12  18.181   1.707   2.675
   88   HG13  ILE  12          HG13      ILE  12  18.297   0.061   3.199
   89   HG21  ILE  12          HG21      ILE  12  19.389   0.719   6.678
   90   HG22  ILE  12          HG22      ILE  12  17.666   0.616   6.287
   91   HG23  ILE  12          HG23      ILE  12  18.822  -0.515   5.539
   92   HD11  ILE  12          HD13      ILE  12  16.235   0.250   4.504
   93   HD12  ILE  12          HD11      ILE  12  16.128   1.993   4.101
   94   HD13  ILE  12          HD12      ILE  12  15.974   0.761   2.833
   95    H    SER  13           H        SER  13  18.893   3.410   7.848
   96    HA   SER  13           HA       SER  13  21.795   3.158   7.892
   97    HB2  SER  13           HB2      SER  13  20.428   5.829   8.512
   98    HB3  SER  13           HB3      SER  13  22.086   5.436   8.996
   99    HG   SER  13           HG       SER  13  21.518   4.971   6.344
  100    H    VAL  14           H        VAL  14  22.635   2.865   9.963
  101    HA   VAL  14           HA       VAL  14  20.748   2.931  12.260
  102    HB   VAL  14           HB       VAL  14  23.010   0.986  11.704
  103   HG11  VAL  14          HG11      VAL  14  22.870   1.435  14.119
  104   HG12  VAL  14          HG12      VAL  14  21.112   1.165  14.096
  105   HG13  VAL  14          HG13      VAL  14  22.238  -0.176  13.790
  106   HG21  VAL  14          HG23      VAL  14  21.006   0.359  10.405
  107   HG22  VAL  14          HG21      VAL  14  21.228  -0.772  11.738
  108   HG23  VAL  14          HG22      VAL  14  20.002   0.500  11.864
  109    H    ILE  15           H        ILE  15  21.636   3.899  14.062
  110    HA   ILE  15           HA       ILE  15  24.281   5.245  13.883
  111    HB   ILE  15           HB       ILE  15  21.457   6.357  14.091
  112   HG12  ILE  15          HG12      ILE  15  23.832   6.806  12.271
  113   HG13  ILE  15          HG13      ILE  15  22.196   6.281  11.866
  114   HG21  ILE  15          HG21      ILE  15  22.315   8.552  14.764
  115   HG22  ILE  15          HG22      ILE  15  22.530   7.325  15.958
  116   HG23  ILE  15          HG23      ILE  15  23.940   7.846  14.975
  117   HD11  ILE  15          HD13      ILE  15  23.081   9.077  12.721
  118   HD12  ILE  15          HD11      ILE  15  22.492   8.564  11.127
  119   HD13  ILE  15          HD12      ILE  15  21.381   8.598  12.516
  120    H    HIS  16           H        HIS  16  25.174   5.633  16.013
  121    HA   HIS  16           HA       HIS  16  24.000   4.018  18.137
  122    HB2  HIS  16           HB2      HIS  16  26.477   4.417  17.852
  123    HB3  HIS  16           HB3      HIS  16  26.220   6.082  18.391
  124    HD1  HIS  16           HD1      HIS  16  25.393   2.504  19.718
  125    HD2  HIS  16           HD2      HIS  16  26.397   6.396  21.006
  126    HE1  HIS  16           HE1      HIS  16  25.660   2.382  22.255
  127    H    SER  17           H        SER  17  24.248   7.554  17.393
  128    HA   SER  17           HA       SER  17  21.870   8.166  18.883
  129    HB2  SER  17           HB2      SER  17  23.189   9.872  20.331
  130    HB3  SER  17           HB3      SER  17  23.142   8.190  20.863
  131    HG   SER  17           HG       SER  17  25.244   9.123  20.979
  132    H    ALA  18           H        ALA  18  21.189  10.322  18.290
  133    HA   ALA  18           HA       ALA  18  22.611  11.475  15.967
  134    HB1  ALA  18           HB3      ALA  18  20.197  11.474  15.795
  135    HB2  ALA  18           HB1      ALA  18  20.031  12.270  17.389
  136    HB3  ALA  18           HB2      ALA  18  20.737  13.135  16.012
  137    H    LYS  19           H        LYS  19  23.289  13.698  16.050
  138    HA   LYS  19           HA       LYS  19  24.837  14.467  18.286
  139    HB2  LYS  19           HB2      LYS  19  24.712  15.205  15.707
  140    HB3  LYS  19           HB3      LYS  19  23.671  16.459  16.334
  141    HG2  LYS  19           HG2      LYS  19  25.785  17.439  16.214
  142    HG3  LYS  19           HG3      LYS  19  25.525  17.131  17.929
  143    HD2  LYS  19           HD2      LYS  19  27.832  16.617  17.225
  144    HD3  LYS  19           HD3      LYS  19  27.013  15.178  17.819
  145    HE2  LYS  19           HE2      LYS  19  28.331  14.669  15.827
  146    HE3  LYS  19           HE3      LYS  19  26.605  14.401  15.540
  147    HZ1  LYS  19           HZ3      LYS  19  26.482  16.317  14.202
  148    HZ2  LYS  19           HZ1      LYS  19  27.975  16.869  14.670
  149    HZ3  LYS  19           HZ2      LYS  19  27.832  15.549  13.725
  150    H    ASP  20           H        ASP  20  21.593  15.421  17.223
  151    HA   ASP  20           HA       ASP  20  20.457  15.770  19.807
  152    HB2  ASP  20           HB2      ASP  20  19.996  17.987  19.912
  153    HB3  ASP  20           HB3      ASP  20  21.711  18.034  19.490
  154    H    TRP  21           H        TRP  21  18.231  16.792  19.390
  155    HA   TRP  21           HA       TRP  21  16.795  15.223  17.618
  156    HB2  TRP  21           HB2      TRP  21  15.069  17.222  18.247
  157    HB3  TRP  21           HB3      TRP  21  15.475  15.879  19.307
  158    HD1  TRP  21           HD1      TRP  21  16.330  19.538  18.749
  159    HE1  TRP  21           HE1      TRP  21  17.237  20.609  20.882
  160    HE3  TRP  21           HE3      TRP  21  16.872  15.317  21.504
  161    HZ2  TRP  21           HZ2      TRP  21  18.230  19.687  23.459
  162    HZ3  TRP  21           HZ3      TRP  21  17.934  15.399  23.750
  163    HH2  TRP  21           HH2      TRP  21  18.600  17.580  24.740
  164    H    GLN  22           H        GLN  22  18.128  18.541  17.030
  165    HA   GLN  22           HA       GLN  22  16.717  18.994  14.525
  166    HB2  GLN  22           HB2      GLN  22  19.402  20.004  15.486
  167    HB3  GLN  22           HB3      GLN  22  18.569  20.537  14.040
  168    HG2  GLN  22           HG2      GLN  22  16.769  21.513  15.254
  169    HG3  GLN  22           HG3      GLN  22  17.218  20.712  16.759
  170   HE21  GLN  22          HE22      GLN  22  19.431  21.213  17.632
  171   HE22  GLN  22          HE21      GLN  22  19.963  22.898  17.552
  172    H    GLU  23           H        GLU  23  19.999  17.619  15.351
  173    HA   GLU  23           HA       GLU  23  20.681  16.864  12.725
  174    HB2  GLU  23           HB2      GLU  23  22.107  16.889  14.890
  175    HB3  GLU  23           HB3      GLU  23  21.418  15.285  15.203
  176    HG2  GLU  23           HG2      GLU  23  23.308  14.629  14.113
  177    HG3  GLU  23           HG3      GLU  23  22.296  14.800  12.711
  178    H    ALA  24           H        ALA  24  18.736  15.147  15.153
  179    HA   ALA  24           HA       ALA  24  18.661  12.639  13.827
  180    HB1  ALA  24           HB3      ALA  24  16.855  12.133  15.348
  181    HB2  ALA  24           HB1      ALA  24  18.069  13.138  16.181
  182    HB3  ALA  24           HB2      ALA  24  16.542  13.860  15.637
  183    H    ILE  25           H        ILE  25  16.744  15.612  13.326
  184    HA   ILE  25           HA       ILE  25  14.889  14.401  11.450
  185    HB   ILE  25           HB       ILE  25  15.781  17.297  11.590
  186   HG12  ILE  25          HG12      ILE  25  14.382  15.887  13.641
  187   HG13  ILE  25          HG13      ILE  25  14.805  17.585  13.538
  188   HG21  ILE  25          HG21      ILE  25  14.618  16.598   9.513
  189   HG22  ILE  25          HG22      ILE  25  13.230  16.075  10.467
  190   HG23  ILE  25          HG23      ILE  25  13.734  17.790  10.425
  191   HD11  ILE  25          HD13      ILE  25  12.623  18.000  12.383
  192   HD12  ILE  25          HD11      ILE  25  12.229  16.278  12.627
  193   HD13  ILE  25          HD12      ILE  25  12.467  17.342  14.021
  194    H    ASP  26           H        ASP  26  18.022  16.201  11.183
  195    HA   ASP  26           HA       ASP  26  18.214  16.074   8.359
  196    HB2  ASP  26           HB2      ASP  26  19.718  17.466   9.666
  197    HB3  ASP  26           HB3      ASP  26  20.459  16.046  10.402
  198    H    PHE  27           H        PHE  27  19.285  13.673  10.829
  199    HA   PHE  27           HA       PHE  27  20.106  11.759   8.861
  200    HB2  PHE  27           HB2      PHE  27  19.566  11.631  11.841
  201    HB3  PHE  27           HB3      PHE  27  19.928  10.187  10.912
  202    HD1  PHE  27           HD1      PHE  27  21.990  10.602   9.126
  203    HD2  PHE  27           HD2      PHE  27  21.562  12.446  13.031
  204    HE1  PHE  27           HE1      PHE  27  24.440  10.876   9.279
  205    HE2  PHE  27           HE2      PHE  27  24.012  12.635  13.178
  206    HZ   PHE  27           HZ       PHE  27  25.460  11.882  11.313
  207    H    SER  28           H        SER  28  16.897  12.653   9.878
  208    HA   SER  28           HA       SER  28  15.679  10.149   8.923
  209    HB2  SER  28           HB2      SER  28  14.329  12.860   9.442
  210    HB3  SER  28           HB3      SER  28  13.536  11.324   9.223
  211    HG   SER  28           HG       SER  28  15.407  11.916  11.307
  212    H    MET  29           H        MET  29  16.901  13.152   7.518
  213    HA   MET  29           HA       MET  29  15.352  12.627   5.016
  214    HB2  MET  29           HB2      MET  29  16.523  15.187   6.091
  215    HB3  MET  29           HB3      MET  29  15.380  14.983   4.752
  216    HG2  MET  29           HG2      MET  29  14.469  14.256   7.510
  217    HG3  MET  29           HG3      MET  29  14.628  15.939   7.048
  218    HE1  MET  29           HE3      MET  29  12.667  12.882   7.054
  219    HE2  MET  29           HE1      MET  29  11.544  12.954   5.671
  220    HE3  MET  29           HE2      MET  29  13.283  12.609   5.397
  221    H    VAL  30           H        VAL  30  18.710  13.007   6.126
  222    HA   VAL  30           HA       VAL  30  19.681  14.366   3.954
  223    HB   VAL  30           HB       VAL  30  20.953  13.985   5.991
  224   HG11  VAL  30          HG11      VAL  30  22.176  11.920   6.445
  225   HG12  VAL  30          HG12      VAL  30  20.443  11.575   6.390
  226   HG13  VAL  30          HG13      VAL  30  21.479  11.141   5.011
  227   HG21  VAL  30          HG23      VAL  30  22.480  12.977   3.553
  228   HG22  VAL  30          HG21      VAL  30  22.112  14.672   3.907
  229   HG23  VAL  30          HG22      VAL  30  23.164  13.752   5.000
  230    H    SER  31           H        SER  31  19.144  10.803   4.088
  231    HA   SER  31           HA       SER  31  20.465  10.161   1.724
  232    HB2  SER  31           HB2      SER  31  17.857   8.945   2.733
  233    HB3  SER  31           HB3      SER  31  19.145   8.143   1.815
  234    HG   SER  31           HG       SER  31  19.965   7.672   3.667
  235    H    LEU  32           H        LEU  32  17.423  11.813   2.191
  236    HA   LEU  32           HA       LEU  32  16.518  11.479  -0.598
  237    HB2  LEU  32           HB2      LEU  32  15.366  12.887   1.863
  238    HB3  LEU  32           HB3      LEU  32  14.583  12.914   0.314
  239    HG   LEU  32           HG       LEU  32  15.240  10.346   1.819
  240   HD11  LEU  32          HD11      LEU  32  13.677  11.641   3.128
  241   HD12  LEU  32          HD12      LEU  32  12.657  11.943   1.719
  242   HD13  LEU  32          HD13      LEU  32  12.819  10.296   2.372
  243   HD21  LEU  32          HD23      LEU  32  13.461  10.837  -0.604
  244   HD22  LEU  32          HD21      LEU  32  15.011   9.973  -0.598
  245   HD23  LEU  32          HD22      LEU  32  13.653   9.304   0.272
  246    H    LEU  33           H        LEU  33  17.727  13.996   1.673
  247    HA   LEU  33           HA       LEU  33  17.678  16.187  -0.035
  248    HB2  LEU  33           HB2      LEU  33  18.221  16.201   2.394
  249    HB3  LEU  33           HB3      LEU  33  19.780  15.467   2.034
  250    HG   LEU  33           HG       LEU  33  20.459  17.479   0.749
  251   HD11  LEU  33          HD11      LEU  33  18.291  18.284  -0.043
  252   HD12  LEU  33          HD12      LEU  33  17.783  18.633   1.622
  253   HD13  LEU  33          HD13      LEU  33  19.118  19.530   0.866
  254   HD21  LEU  33          HD23      LEU  33  19.505  18.086   3.560
  255   HD22  LEU  33          HD21      LEU  33  20.979  17.201   3.134
  256   HD23  LEU  33          HD22      LEU  33  20.818  18.890   2.666
  257    H    ASP  34           H        ASP  34  20.150  13.668   0.385
  258    HA   ASP  34           HA       ASP  34  22.214  14.686  -1.157
  259    HB2  ASP  34           HB2      ASP  34  22.447  12.754   0.403
  260    HB3  ASP  34           HB3      ASP  34  21.310  11.813  -0.574
  261    H    LYS  35           H        LYS  35  19.393  13.033  -2.231
  262    HA   LYS  35           HA       LYS  35  20.498  12.913  -5.025
  263    HB2  LYS  35           HB2      LYS  35  18.241  11.283  -4.001
  264    HB3  LYS  35           HB3      LYS  35  19.163  11.126  -5.505
  265    HG2  LYS  35           HG2      LYS  35  21.242  10.895  -3.916
  266    HG3  LYS  35           HG3      LYS  35  20.038  10.620  -2.634
  267    HD2  LYS  35           HD2      LYS  35  19.093   8.873  -4.347
  268    HD3  LYS  35           HD3      LYS  35  20.722   9.013  -5.053
  269    HE2  LYS  35           HE2      LYS  35  20.042   8.433  -2.125
  270    HE3  LYS  35           HE3      LYS  35  20.431   7.152  -3.289
  271    HZ1  LYS  35           HZ3      LYS  35  22.641   8.131  -3.541
  272    HZ2  LYS  35           HZ1      LYS  35  22.317   9.304  -2.436
  273    HZ3  LYS  35           HZ2      LYS  35  22.365   7.719  -1.986
  274    H    ASN  36           H        ASN  36  19.245  15.160  -3.387
  275    HA   ASN  36           HA       ASN  36  17.646  16.706  -3.409
  276    HB2  ASN  36           HB2      ASN  36  17.493  18.048  -5.294
  277    HB3  ASN  36           HB3      ASN  36  19.124  17.425  -5.159
  278   HD21  ASN  36          HD22      ASN  36  16.034  16.810  -6.776
  279   HD22  ASN  36          HD21      ASN  36  16.718  16.451  -8.373
  280    H    TYR  37           H        TYR  37  16.404  14.218  -3.027
  281    HA   TYR  37           HA       TYR  37  13.824  14.237  -4.400
  282    HB2  TYR  37           HB2      TYR  37  14.830  13.121  -1.762
  283    HB3  TYR  37           HB3      TYR  37  13.138  13.063  -2.173
  284    HD1  TYR  37           HD1      TYR  37  16.487  11.614  -2.940
  285    HD2  TYR  37           HD2      TYR  37  12.233  11.429  -3.612
  286    HE1  TYR  37           HE1      TYR  37  16.785   9.555  -4.289
  287    HE2  TYR  37           HE2      TYR  37  12.543   9.391  -5.003
  288    HH   TYR  37           HH       TYR  37  14.063   7.895  -5.925
  289    H    ILE  38           H        ILE  38  15.347  16.197  -1.993
  290    HA   ILE  38           HA       ILE  38  12.956  17.830  -1.580
  291    HB   ILE  38           HB       ILE  38  13.414  17.863   0.868
  292   HG12  ILE  38          HG12      ILE  38  15.316  15.550   0.284
  293   HG13  ILE  38          HG13      ILE  38  15.790  17.177   0.782
  294   HG21  ILE  38          HG21      ILE  38  12.803  15.035  -0.079
  295   HG22  ILE  38          HG22      ILE  38  12.335  15.751   1.466
  296   HG23  ILE  38          HG23      ILE  38  11.631  16.369  -0.011
  297   HD11  ILE  38          HD13      ILE  38  15.998  15.690   2.598
  298   HD12  ILE  38          HD11      ILE  38  14.684  16.837   2.954
  299   HD13  ILE  38          HD12      ILE  38  14.314  15.154   2.480
  300    H    SER  39           H        SER  39  13.685  19.960  -0.565
  301    HA   SER  39           HA       SER  39  16.512  20.646  -1.203
  302    HB2  SER  39           HB2      SER  39  15.702  22.977  -0.983
  303    HB3  SER  39           HB3      SER  39  14.823  22.074  -2.226
  304    HG   SER  39           HG       SER  39  13.420  23.273  -0.901
  305    H    GLU  40           H        GLU  40  17.570  22.119   0.504
  306    HA   GLU  40           HA       GLU  40  17.651  20.821   3.021
  307    HB2  GLU  40           HB2      GLU  40  18.578  23.609   2.224
  308    HB3  GLU  40           HB3      GLU  40  19.002  22.786   3.731
  309    HG2  GLU  40           HG2      GLU  40  20.068  20.947   2.415
  310    HG3  GLU  40           HG3      GLU  40  19.705  21.806   0.926
  311    H    ASN  41           H        ASN  41  15.666  23.543   1.925
  312    HA   ASN  41           HA       ASN  41  14.792  24.500   4.460
  313    HB2  ASN  41           HB2      ASN  41  14.361  25.658   2.290
  314    HB3  ASN  41           HB3      ASN  41  13.245  24.366   1.826
  315   HD21  ASN  41          HD22      ASN  41  11.099  24.322   2.797
  316   HD22  ASN  41          HD21      ASN  41  10.556  25.633   3.817
  317    H    TYR  42           H        TYR  42  13.808  21.638   2.576
  318    HA   TYR  42           HA       TYR  42  11.322  21.144   3.838
  319    HB2  TYR  42           HB2      TYR  42  12.296  20.070   1.752
  320    HB3  TYR  42           HB3      TYR  42  13.329  19.109   2.803
  321    HD1  TYR  42           HD2      TYR  42   9.805  19.838   1.899
  322    HD2  TYR  42           HD1      TYR  42  12.484  17.130   3.908
  323    HE1  TYR  42           HE2      TYR  42   8.010  18.130   1.979
  324    HE2  TYR  42           HE1      TYR  42  10.690  15.415   3.998
  325    HH   TYR  42           HH       TYR  42   7.380  16.089   2.831
  326    H    ILE  43           H        ILE  43  14.658  20.063   4.665
  327    HA   ILE  43           HA       ILE  43  13.943  18.542   6.968
  328    HB   ILE  43           HB       ILE  43  16.543  20.024   6.314
  329   HG12  ILE  43          HG12      ILE  43  17.105  17.370   5.983
  330   HG13  ILE  43          HG13      ILE  43  15.409  17.376   5.480
  331   HG21  ILE  43          HG21      ILE  43  16.089  17.725   8.267
  332   HG22  ILE  43          HG22      ILE  43  17.622  18.551   7.921
  333   HG23  ILE  43          HG23      ILE  43  16.317  19.420   8.737
  334   HD11  ILE  43          HD13      ILE  43  15.938  19.052   3.766
  335   HD12  ILE  43          HD11      ILE  43  17.617  19.128   4.362
  336   HD13  ILE  43          HD12      ILE  43  16.999  17.639   3.625
  337    H    GLN  44           H        GLN  44  14.931  22.016   6.603
  338    HA   GLN  44           HA       GLN  44  14.774  22.396   9.413
  339    HB2  GLN  44           HB2      GLN  44  16.103  23.769   7.661
  340    HB3  GLN  44           HB3      GLN  44  14.616  24.685   7.442
  341    HG2  GLN  44           HG2      GLN  44  16.080  25.800   9.078
  342    HG3  GLN  44           HG3      GLN  44  14.628  25.241   9.892
  343   HE21  GLN  44          HE22      GLN  44  15.110  24.360  11.938
  344   HE22  GLN  44          HE21      GLN  44  16.504  23.372  12.292
  345    H    ALA  45           H        ALA  45  12.257  22.653   6.947
  346    HA   ALA  45           HA       ALA  45  10.310  24.019   8.470
  347    HB1  ALA  45           HB3      ALA  45   9.853  21.678   6.549
  348    HB2  ALA  45           HB1      ALA  45   8.657  22.867   7.065
  349    HB3  ALA  45           HB2      ALA  45  10.032  23.385   6.065
  350    H    ILE  46           H        ILE  46  11.249  20.533   8.463
  351    HA   ILE  46           HA       ILE  46   9.151  19.738  10.271
  352    HB   ILE  46           HB       ILE  46  11.822  18.399   9.737
  353   HG12  ILE  46          HG12      ILE  46   9.282  17.694   8.271
  354   HG13  ILE  46          HG13      ILE  46  10.422  18.841   7.616
  355   HG21  ILE  46          HG21      ILE  46  10.692  16.352  10.448
  356   HG22  ILE  46          HG22      ILE  46  10.484  17.576  11.709
  357   HG23  ILE  46          HG23      ILE  46   9.145  17.211  10.610
  358   HD11  ILE  46          HD13      ILE  46  12.240  17.154   7.703
  359   HD12  ILE  46          HD11      ILE  46  11.067  15.924   8.200
  360   HD13  ILE  46          HD12      ILE  46  10.905  16.726   6.628
  361    H    LYS  47           H        LYS  47  12.674  20.544  10.614
  362    HA   LYS  47           HA       LYS  47  12.823  20.001  13.376
  363    HB2  LYS  47           HB2      LYS  47  14.260  22.045  11.639
  364    HB3  LYS  47           HB3      LYS  47  14.728  21.741  13.311
  365    HG2  LYS  47           HG2      LYS  47  15.507  19.537  12.800
  366    HG3  LYS  47           HG3      LYS  47  14.811  19.586  11.165
  367    HD2  LYS  47           HD2      LYS  47  16.285  21.332  10.493
  368    HD3  LYS  47           HD3      LYS  47  16.916  21.540  12.143
  369    HE2  LYS  47           HE2      LYS  47  18.090  19.461  12.037
  370    HE3  LYS  47           HE3      LYS  47  17.369  19.038  10.488
  371    HZ1  LYS  47           HZ3      LYS  47  19.196  21.343  10.979
  372    HZ2  LYS  47           HZ1      LYS  47  19.614  19.961  10.229
  373    HZ3  LYS  47           HZ2      LYS  47  18.548  20.982   9.532
  374    H    ASP  48           H        ASP  48  12.057  23.098  11.683
  375    HA   ASP  48           HA       ASP  48  11.839  24.709  13.989
  376    HB2  ASP  48           HB2      ASP  48  12.061  25.632  11.745
  377    HB3  ASP  48           HB3      ASP  48  10.513  24.929  11.260
  378    H    SER  49           H        SER  49   9.329  22.855  12.200
  379    HA   SER  49           HA       SER  49   7.095  23.570  13.828
  380    HB2  SER  49           HB2      SER  49   7.635  20.963  12.335
  381    HB3  SER  49           HB3      SER  49   6.063  21.596  12.845
  382    HG   SER  49           HG       SER  49   7.813  22.564  10.852
  383    H    THR  50           H        THR  50   9.374  20.779  14.064
  384    HA   THR  50           HA       THR  50   8.300  19.623  16.362
  385    HB   THR  50           HB       THR  50  11.173  19.635  15.368
  386    HG1  THR  50           HG1      THR  50   9.876  18.894  13.784
  387   HG21  THR  50          HG23      THR  50   9.714  17.678  17.191
  388   HG22  THR  50          HG21      THR  50  11.296  17.396  16.435
  389   HG23  THR  50          HG22      THR  50  11.102  18.700  17.617
  390    H    ILE  51           H        ILE  51  10.824  22.206  16.142
  391    HA   ILE  51           HA       ILE  51  11.230  22.381  18.973
  392    HB   ILE  51           HB       ILE  51  11.721  24.271  16.642
  393   HG12  ILE  51          HG12      ILE  51  13.716  22.760  18.398
  394   HG13  ILE  51          HG13      ILE  51  13.037  22.057  16.942
  395   HG21  ILE  51          HG21      ILE  51  13.147  25.641  18.152
  396   HG22  ILE  51          HG22      ILE  51  11.461  25.703  18.628
  397   HG23  ILE  51          HG23      ILE  51  12.594  24.680  19.539
  398   HD11  ILE  51          HD13      ILE  51  13.949  23.946  15.590
  399   HD12  ILE  51          HD11      ILE  51  14.763  24.557  17.052
  400   HD13  ILE  51          HD12      ILE  51  15.185  22.968  16.403
  401    H    ASN  52           H        ASN  52   8.935  24.016  16.748
  402    HA   ASN  52           HA       ASN  52   8.061  25.966  18.654
  403    HB2  ASN  52           HB2      ASN  52   7.099  24.983  15.960
  404    HB3  ASN  52           HB3      ASN  52   5.952  25.852  16.939
  405   HD21  ASN  52          HD22      ASN  52   9.153  26.141  15.408
  406   HD22  ASN  52          HD21      ASN  52   9.191  27.890  15.394
  407    H    ASN  53           H        ASN  53   6.731  22.767  17.753
  408    HA   ASN  53           HA       ASN  53   4.644  23.097  19.890
  409    HB2  ASN  53           HB2      ASN  53   4.073  23.752  17.447
  410    HB3  ASN  53           HB3      ASN  53   4.237  22.035  17.084
  411   HD21  ASN  53          HD22      ASN  53   2.053  22.609  16.290
  412   HD22  ASN  53          HD21      ASN  53   0.689  22.431  17.386
  413    H    GLY  54           H        GLY  54   7.196  21.231  19.167
  414    HA2  GLY  54           HA2      GLY  54   7.764  19.099  19.866
  415    HA3  GLY  54           HA3      GLY  54   6.077  18.727  20.252
  416    HA   PRO  55           HA       PRO  55   7.578  17.059  16.044
  417    HB2  PRO  55           HB2      PRO  55   7.295  14.337  16.534
  418    HB3  PRO  55           HB3      PRO  55   8.788  15.272  16.845
  419    HG2  PRO  55           HG2      PRO  55   6.601  14.533  18.791
  420    HG3  PRO  55           HG3      PRO  55   8.376  14.396  18.998
  421    HD2  PRO  55           HD2      PRO  55   6.954  16.488  20.025
  422    HD3  PRO  55           HD3      PRO  55   8.587  16.752  19.347
  423    H    TYR  56           H        TYR  56   6.271  16.178  14.389
  424    HA   TYR  56           HA       TYR  56   3.337  16.330  14.989
  425    HB2  TYR  56           HB2      TYR  56   5.030  17.106  12.598
  426    HB3  TYR  56           HB3      TYR  56   3.318  16.803  12.422
  427    HD1  TYR  56           HD2      TYR  56   5.711  18.898  14.422
  428    HD2  TYR  56           HD1      TYR  56   1.735  18.484  12.801
  429    HE1  TYR  56           HE2      TYR  56   5.200  21.219  15.081
  430    HE2  TYR  56           HE1      TYR  56   1.236  20.836  13.411
  431    HH   TYR  56           HH       TYR  56   3.726  23.017  14.811
  432    H    TYR  57           H        TYR  57   5.709  14.038  14.233
  433    HA   TYR  57           HA       TYR  57   3.783  12.236  12.860
  434    HB2  TYR  57           HB2      TYR  57   6.576  12.987  11.979
  435    HB3  TYR  57           HB3      TYR  57   5.716  11.543  11.451
  436    HD1  TYR  57           HD2      TYR  57   3.755  11.622  10.032
  437    HD2  TYR  57           HD1      TYR  57   5.836  15.230  11.160
  438    HE1  TYR  57           HE2      TYR  57   2.437  12.899   8.362
  439    HE2  TYR  57           HE1      TYR  57   4.585  16.498   9.447
  440    HH   TYR  57           HH       TYR  57   2.929  16.416   7.805
  441    H    ILE  58           H        ILE  58   3.554  11.356  15.018
  442    HA   ILE  58           HA       ILE  58   5.760   9.510  15.769
  443    HB   ILE  58           HB       ILE  58   3.831  10.855  17.698
  444   HG12  ILE  58          HG12      ILE  58   5.435  12.543  17.110
  445   HG13  ILE  58          HG13      ILE  58   5.762  11.950  18.725
  446   HG21  ILE  58          HG21      ILE  58   6.094   8.861  18.175
  447   HG22  ILE  58          HG22      ILE  58   5.232   9.748  19.453
  448   HG23  ILE  58          HG23      ILE  58   4.366   8.604  18.431
  449   HD11  ILE  58          HD13      ILE  58   7.894  12.169  17.787
  450   HD12  ILE  58          HD11      ILE  58   7.576  10.441  17.576
  451   HD13  ILE  58          HD12      ILE  58   7.386  11.553  16.215
  452    H    LEU  59           H        LEU  59   5.020   7.409  15.875
  453    HA   LEU  59           HA       LEU  59   2.149   7.008  15.112
  454    HB2  LEU  59           HB2      LEU  59   4.616   5.443  14.242
  455    HB3  LEU  59           HB3      LEU  59   2.959   5.060  13.836
  456    HG   LEU  59           HG       LEU  59   3.831   6.012  11.933
  457   HD11  LEU  59          HD11      LEU  59   1.586   6.873  12.514
  458   HD12  LEU  59          HD12      LEU  59   2.341   8.337  13.182
  459   HD13  LEU  59          HD13      LEU  59   2.507   7.955  11.462
  460   HD21  LEU  59          HD23      LEU  59   5.872   7.059  12.864
  461   HD22  LEU  59          HD21      LEU  59   5.013   8.088  11.719
  462   HD23  LEU  59          HD22      LEU  59   4.901   8.441  13.424
  463    H    ALA  60           H        ALA  60   4.815   5.885  17.144
  464    HA   ALA  60           HA       ALA  60   3.064   4.325  18.819
  465    HB1  ALA  60           HB3      ALA  60   5.201   2.918  17.130
  466    HB2  ALA  60           HB1      ALA  60   4.286   2.164  18.442
  467    HB3  ALA  60           HB2      ALA  60   3.448   2.679  16.974
  468    HA   PRO  61           HA       PRO  61   6.326   5.293  21.758
  469    HB2  PRO  61           HB2      PRO  61   6.482   2.286  22.211
  470    HB3  PRO  61           HB3      PRO  61   6.532   3.594  23.427
  471    HG2  PRO  61           HG2      PRO  61   4.227   2.271  22.993
  472    HG3  PRO  61           HG3      PRO  61   4.193   4.063  23.110
  473    HD2  PRO  61           HD2      PRO  61   4.154   2.334  20.636
  474    HD3  PRO  61           HD3      PRO  61   3.192   3.798  21.004
  475    H    GLY  62           H        GLY  62   8.215   5.977  20.924
  476    HA2  GLY  62           HA2      GLY  62  10.446   5.790  20.424
  477    HA3  GLY  62           HA3      GLY  62  10.283   4.052  20.208
  478    H    VAL  63           H        VAL  63   7.875   5.503  18.263
  479    HA   VAL  63           HA       VAL  63   9.647   5.273  15.867
  480    HB   VAL  63           HB       VAL  63   6.800   4.281  16.269
  481   HG11  VAL  63          HG11      VAL  63   7.150   4.990  13.928
  482   HG12  VAL  63          HG12      VAL  63   8.609   3.995  13.828
  483   HG13  VAL  63          HG13      VAL  63   7.006   3.242  14.015
  484   HG21  VAL  63          HG23      VAL  63   8.374   2.831  17.445
  485   HG22  VAL  63          HG21      VAL  63   7.820   2.020  15.993
  486   HG23  VAL  63          HG22      VAL  63   9.434   2.759  16.023
  487    H    ALA  64           H        ALA  64   9.702   7.025  14.675
  488    HA   ALA  64           HA       ALA  64   7.384   8.878  14.591
  489    HB1  ALA  64           HB3      ALA  64   9.278   9.849  15.908
  490    HB2  ALA  64           HB1      ALA  64  10.330   9.649  14.482
  491    HB3  ALA  64           HB2      ALA  64   8.952  10.763  14.430
  492    H    MET  65           H        MET  65   7.525  10.258  12.588
  493    HA   MET  65           HA       MET  65   8.925   8.982  10.354
  494    HB2  MET  65           HB2      MET  65   6.730   7.973  10.381
  495    HB3  MET  65           HB3      MET  65   5.989   9.583  10.354
  496    HG2  MET  65           HG2      MET  65   7.549   9.636   8.074
  497    HG3  MET  65           HG3      MET  65   7.120   7.931   8.173
  498    HE1  MET  65           HE3      MET  65   4.083   8.581   9.779
  499    HE2  MET  65           HE1      MET  65   3.182   8.170   8.305
  500    HE3  MET  65           HE2      MET  65   4.632   7.242   8.751
  501    HA   PRO  66           HA       PRO  66   8.842  13.653  10.832
  502    HB2  PRO  66           HB2      PRO  66  11.794  13.484  10.236
  503    HB3  PRO  66           HB3      PRO  66  10.950  14.426  11.502
  504    HG2  PRO  66           HG2      PRO  66  12.335  12.193  12.133
  505    HG3  PRO  66           HG3      PRO  66  10.777  12.571  12.930
  506    HD2  PRO  66           HD2      PRO  66  11.266  10.698  10.592
  507    HD3  PRO  66           HD3      PRO  66  10.343  10.409  12.091
  508    H    HIS  67           H        HIS  67   8.253  14.709   9.090
  509    HA   HIS  67           HA       HIS  67   9.566  15.003   6.661
  510    HB2  HIS  67           HB2      HIS  67   8.565  13.861   5.107
  511    HB3  HIS  67           HB3      HIS  67   8.453  12.624   6.354
  512    HD1  HIS  67           HD1      HIS  67   5.766  12.854   7.602
  513    HD2  HIS  67           HD2      HIS  67   6.568  13.875   3.572
  514    HE1  HIS  67           HE1      HIS  67   3.561  12.658   6.341
  515    H    ALA  68           H        ALA  68   7.880  16.275   5.070
  516    HA   ALA  68           HA       ALA  68   6.203  18.093   6.742
  517    HB1  ALA  68           HB3      ALA  68   7.245  20.015   5.606
  518    HB2  ALA  68           HB1      ALA  68   8.385  19.139   6.617
  519    HB3  ALA  68           HB2      ALA  68   8.432  18.931   4.854
  520    H    ARG  69           H        ARG  69   5.001  19.649   5.189
  521    HA   ARG  69           HA       ARG  69   3.434  18.185   3.270
  522    HB2  ARG  69           HB2      ARG  69   3.749  21.085   4.100
  523    HB3  ARG  69           HB3      ARG  69   3.011  20.776   2.545
  524    HG2  ARG  69           HG2      ARG  69   1.269  20.999   4.175
  525    HG3  ARG  69           HG3      ARG  69   1.299  19.325   3.598
  526    HD2  ARG  69           HD2      ARG  69   2.525  18.646   5.638
  527    HD3  ARG  69           HD3      ARG  69   2.531  20.336   6.192
  528    HE   ARG  69           HE       ARG  69  -0.135  19.377   5.624
  529   HH11  ARG  69          HH11      ARG  69   2.388  19.321   8.124
  530   HH12  ARG  69          HH12      ARG  69   1.301  18.966   9.413
  531   HH21  ARG  69          HH21      ARG  69  -1.586  18.926   7.347
  532   HH22  ARG  69          HH22      ARG  69  -1.010  18.748   8.958
  533    HA   PRO  70           HA       PRO  70   5.981  18.081  -0.247
  534    HB2  PRO  70           HB2      PRO  70   4.361  18.872  -2.378
  535    HB3  PRO  70           HB3      PRO  70   4.303  17.277  -1.603
  536    HG2  PRO  70           HG2      PRO  70   2.478  19.615  -1.156
  537    HG3  PRO  70           HG3      PRO  70   2.073  17.875  -1.247
  538    HD2  PRO  70           HD2      PRO  70   2.304  19.236   1.116
  539    HD3  PRO  70           HD3      PRO  70   2.723  17.517   0.984
  540    H    GLU  71           H        GLU  71   3.986  21.027   0.149
  541    HA   GLU  71           HA       GLU  71   5.425  22.765  -1.579
  542    HB2  GLU  71           HB2      GLU  71   3.648  23.399   0.821
  543    HB3  GLU  71           HB3      GLU  71   4.136  24.540  -0.438
  544    HG2  GLU  71           HG2      GLU  71   2.993  23.073  -2.140
  545    HG3  GLU  71           HG3      GLU  71   2.392  22.071  -0.814
  546    H    CYS  72           H        CYS  72   6.415  21.484   1.459
  547    HA   CYS  72           HA       CYS  72   7.847  23.887   2.355
  548    HB2  CYS  72           HB2      CYS  72   7.848  21.015   3.385
  549    HB3  CYS  72           HB3      CYS  72   8.690  22.383   4.133
  550    HG   CYS  72           HG       CYS  72   6.602  22.020   5.568
  551    H    GLY  73           H        GLY  73   8.397  21.683  -0.123
  552    HA2  GLY  73           HA2      GLY  73  10.481  22.391  -1.319
  553    HA3  GLY  73           HA3      GLY  73  11.367  21.967   0.149
  554    H    ALA  74           H        ALA  74   8.653  19.870  -0.844
  555    HA   ALA  74           HA       ALA  74  10.529  17.665  -1.334
  556    HB1  ALA  74           HB3      ALA  74   7.558  17.839  -1.888
  557    HB2  ALA  74           HB1      ALA  74   8.571  16.381  -1.890
  558    HB3  ALA  74           HB2      ALA  74   8.282  17.245  -0.367
  559    H    LEU  75           H        LEU  75  11.025  16.811  -3.338
  560    HA   LEU  75           HA       LEU  75  10.383  18.438  -5.767
  561    HB2  LEU  75           HB2      LEU  75  13.063  17.301  -4.912
  562    HB3  LEU  75           HB3      LEU  75  12.758  18.130  -6.430
  563    HG   LEU  75           HG       LEU  75  12.548  19.406  -3.667
  564   HD11  LEU  75          HD11      LEU  75  14.655  20.537  -4.238
  565   HD12  LEU  75          HD12      LEU  75  14.861  18.782  -4.218
  566   HD13  LEU  75          HD13      LEU  75  14.741  19.635  -5.769
  567   HD21  LEU  75          HD23      LEU  75  11.117  20.559  -5.329
  568   HD22  LEU  75          HD21      LEU  75  12.512  21.553  -4.907
  569   HD23  LEU  75          HD22      LEU  75  12.490  20.670  -6.449
  570    H    LYS  76           H        LYS  76  11.128  15.276  -4.345
  571    HA   LYS  76           HA       LYS  76   9.925  13.965  -6.673
  572    HB2  LYS  76           HB2      LYS  76  12.398  12.979  -5.240
  573    HB3  LYS  76           HB3      LYS  76  11.605  12.160  -6.575
  574    HG2  LYS  76           HG2      LYS  76  12.362  13.907  -8.126
  575    HG3  LYS  76           HG3      LYS  76  13.081  14.823  -6.780
  576    HD2  LYS  76           HD2      LYS  76  14.579  12.924  -6.255
  577    HD3  LYS  76           HD3      LYS  76  13.898  12.001  -7.608
  578    HE2  LYS  76           HE2      LYS  76  14.719  13.638  -9.213
  579    HE3  LYS  76           HE3      LYS  76  15.225  14.723  -7.911
  580    HZ1  LYS  76           HZ3      LYS  76  17.075  13.435  -8.850
  581    HZ2  LYS  76           HZ1      LYS  76  16.898  13.143  -7.253
  582    HZ3  LYS  76           HZ2      LYS  76  16.391  12.038  -8.364
  583    H    THR  77           H        THR  77   9.302  11.619  -5.916
  584    HA   THR  77           HA       THR  77   8.542  11.632  -3.116
  585    HB   THR  77           HB       THR  77   7.589  10.159  -5.593
  586    HG1  THR  77           HG1      THR  77   6.109  11.583  -5.722
  587   HG21  THR  77          HG23      THR  77   6.487  10.089  -2.770
  588   HG22  THR  77          HG21      THR  77   5.710   9.387  -4.222
  589   HG23  THR  77          HG22      THR  77   7.255   8.746  -3.653
  590    H    GLY  78           H        GLY  78   9.469  10.291  -1.624
  591    HA2  GLY  78           HA2      GLY  78  10.563   7.713  -2.175
  592    HA3  GLY  78           HA3      GLY  78  11.857   8.915  -2.052
  593    H    MET  79           H        MET  79  12.210   7.232  -0.092
  594    HA   MET  79           HA       MET  79  11.172   8.468   2.390
  595    HB2  MET  79           HB2      MET  79  10.890   5.555   1.552
  596    HB3  MET  79           HB3      MET  79  10.863   6.035   3.241
  597    HG2  MET  79           HG2      MET  79   8.890   7.416   2.916
  598    HG3  MET  79           HG3      MET  79   8.885   7.064   1.191
  599    HE1  MET  79           HE3      MET  79   6.816   5.991   0.729
  600    HE2  MET  79           HE1      MET  79   6.046   4.666   1.621
  601    HE3  MET  79           HE2      MET  79   6.103   6.300   2.325
  602    H    SER  80           H        SER  80  12.265   7.387   4.334
  603    HA   SER  80           HA       SER  80  15.022   6.415   3.860
  604    HB2  SER  80           HB2      SER  80  14.462   8.417   6.048
  605    HB3  SER  80           HB3      SER  80  16.017   7.926   5.380
  606    HG   SER  80           HG       SER  80  15.019  10.065   4.881
  607    H    LEU  81           H        LEU  81  15.822   5.289   5.893
  608    HA   LEU  81           HA       LEU  81  13.775   4.662   7.915
  609    HB2  LEU  81           HB2      LEU  81  13.602   2.927   6.171
  610    HB3  LEU  81           HB3      LEU  81  15.343   2.668   6.203
  611    HG   LEU  81           HG       LEU  81  15.241   1.714   8.407
  612   HD11  LEU  81          HD11      LEU  81  13.116   1.335   9.598
  613   HD12  LEU  81          HD12      LEU  81  13.456   3.050   9.445
  614   HD13  LEU  81          HD13      LEU  81  12.263   2.261   8.365
  615   HD21  LEU  81          HD23      LEU  81  13.956  -0.299   7.834
  616   HD22  LEU  81          HD21      LEU  81  12.948   0.639   6.731
  617   HD23  LEU  81          HD22      LEU  81  14.649   0.371   6.333
  618    H    THR  82           H        THR  82  14.876   5.623   9.602
  619    HA   THR  82           HA       THR  82  17.781   5.053   9.914
  620    HB   THR  82           HB       THR  82  16.087   7.465  10.720
  621    HG1  THR  82           HG1      THR  82  17.526   8.416   9.032
  622   HG21  THR  82          HG23      THR  82  18.255   8.550  11.201
  623   HG22  THR  82          HG21      THR  82  17.950   7.173  12.257
  624   HG23  THR  82          HG22      THR  82  19.099   7.005  10.907
  625    H    LEU  83           H        LEU  83  18.468   4.279  11.939
  626    HA   LEU  83           HA       LEU  83  16.485   4.166  14.154
  627    HB2  LEU  83           HB2      LEU  83  16.696   2.022  12.756
  628    HB3  LEU  83           HB3      LEU  83  18.314   1.855  13.417
  629    HG   LEU  83           HG       LEU  83  15.747   2.044  15.086
  630   HD11  LEU  83          HD11      LEU  83  15.559   0.075  13.775
  631   HD12  LEU  83          HD12      LEU  83  17.284  -0.331  14.003
  632   HD13  LEU  83          HD13      LEU  83  16.149  -0.451  15.347
  633   HD21  LEU  83          HD23      LEU  83  18.624   1.411  15.843
  634   HD22  LEU  83          HD21      LEU  83  17.463   2.539  16.603
  635   HD23  LEU  83          HD22      LEU  83  17.251   0.825  16.808
  636    H    LEU  84           H        LEU  84  17.369   4.680  16.110
  637    HA   LEU  84           HA       LEU  84  20.291   5.304  16.293
  638    HB2  LEU  84           HB2      LEU  84  17.820   6.611  17.453
  639    HB3  LEU  84           HB3      LEU  84  19.396   6.766  18.230
  640    HG   LEU  84           HG       LEU  84  20.324   8.002  16.437
  641   HD11  LEU  84          HD11      LEU  84  19.346   7.016  14.453
  642   HD12  LEU  84          HD12      LEU  84  17.719   7.531  14.940
  643   HD13  LEU  84          HD13      LEU  84  18.949   8.734  14.474
  644   HD21  LEU  84          HD23      LEU  84  18.784   9.974  16.559
  645   HD22  LEU  84          HD21      LEU  84  17.517   8.928  17.203
  646   HD23  LEU  84          HD22      LEU  84  19.016   9.177  18.127
  647    H    GLU  85           H        GLU  85  21.261   3.819  17.705
  648    HA   GLU  85           HA       GLU  85  19.805   1.902  19.165
  649    HB2  GLU  85           HB2      GLU  85  22.645   2.904  19.617
  650    HB3  GLU  85           HB3      GLU  85  21.954   1.462  20.360
  651    HG2  GLU  85           HG2      GLU  85  21.552   0.502  18.086
  652    HG3  GLU  85           HG3      GLU  85  22.390   1.883  17.376
  653    H    GLN  86           H        GLN  86  21.146   4.998  20.229
  654    HA   GLN  86           HA       GLN  86  20.232   4.646  23.006
  655    HB2  GLN  86           HB2      GLN  86  21.464   6.997  21.518
  656    HB3  GLN  86           HB3      GLN  86  21.140   7.001  23.235
  657    HG2  GLN  86           HG2      GLN  86  22.961   4.938  21.915
  658    HG3  GLN  86           HG3      GLN  86  23.537   6.474  22.547
  659   HE21  GLN  86          HE22      GLN  86  24.853   4.579  23.648
  660   HE22  GLN  86          HE21      GLN  86  24.276   4.135  25.247
  661    H    GLY  87           H        GLY  87  18.997   5.941  20.029
  662    HA2  GLY  87           HA2      GLY  87  17.144   7.186  19.482
  663    HA3  GLY  87           HA3      GLY  87  16.558   7.009  21.143
  664    H    VAL  88           H        VAL  88  15.994   9.385  20.289
  665    HA   VAL  88           HA       VAL  88  17.629  10.998  22.034
  666    HB   VAL  88           HB       VAL  88  18.430  11.182  19.451
  667   HG11  VAL  88          HG11      VAL  88  17.517  13.049  18.301
  668   HG12  VAL  88          HG12      VAL  88  16.239  11.845  18.596
  669   HG13  VAL  88          HG13      VAL  88  16.313  13.344  19.561
  670   HG21  VAL  88          HG23      VAL  88  19.374  13.344  19.965
  671   HG22  VAL  88          HG21      VAL  88  18.314  13.489  21.389
  672   HG23  VAL  88          HG22      VAL  88  19.531  12.194  21.302
  673    H    TYR  89           H        TYR  89  16.340  13.207  22.323
  674    HA   TYR  89           HA       TYR  89  13.483  12.380  22.451
  675    HB2  TYR  89           HB2      TYR  89  14.774  12.179  24.579
  676    HB3  TYR  89           HB3      TYR  89  15.030  13.909  24.549
  677    HD1  TYR  89           HD1      TYR  89  11.657  13.139  23.303
  678    HD2  TYR  89           HD2      TYR  89  14.053  13.523  26.901
  679    HE1  TYR  89           HE1      TYR  89   9.645  13.410  24.627
  680    HE2  TYR  89           HE2      TYR  89  11.986  13.856  28.224
  681    HH   TYR  89           HH       TYR  89   8.738  13.955  26.657
  682    H    PHE  90           H        PHE  90  12.708  13.498  20.733
  683    HA   PHE  90           HA       PHE  90  13.133  16.166  20.016
  684    HB2  PHE  90           HB2      PHE  90  10.630  14.437  20.037
  685    HB3  PHE  90           HB3      PHE  90  10.691  16.024  19.264
  686    HD1  PHE  90           HD1      PHE  90  13.157  16.161  17.798
  687    HD2  PHE  90           HD2      PHE  90  10.471  12.826  18.298
  688    HE1  PHE  90           HE1      PHE  90  13.987  15.185  15.694
  689    HE2  PHE  90           HE2      PHE  90  11.264  11.883  16.138
  690    HZ   PHE  90           HZ       PHE  90  13.024  13.065  14.834
  691    HA   PRO  91           HA       PRO  91  11.920  18.387  23.577
  692    HB2  PRO  91           HB2      PRO  91  11.045  20.803  22.513
  693    HB3  PRO  91           HB3      PRO  91  12.758  20.314  22.685
  694    HG2  PRO  91           HG2      PRO  91  10.983  20.056  20.240
  695    HG3  PRO  91           HG3      PRO  91  12.658  20.707  20.334
  696    HD2  PRO  91           HD2      PRO  91  12.200  18.174  19.543
  697    HD3  PRO  91           HD3      PRO  91  13.562  18.526  20.650
  698    H    GLY  92           H        GLY  92  10.184  18.220  24.852
  699    HA2  GLY  92           HA2      GLY  92   8.061  18.254  25.629
  700    HA3  GLY  92           HA3      GLY  92   7.611  19.188  24.196
  701    H    ASN  93           H        ASN  93   8.924  16.063  23.294
  702    HA   ASN  93           HA       ASN  93   6.267  15.103  22.572
  703    HB2  ASN  93           HB2      ASN  93   8.422  14.675  21.269
  704    HB3  ASN  93           HB3      ASN  93   8.911  13.588  22.555
  705   HD21  ASN  93          HD22      ASN  93   8.742  11.579  21.542
  706   HD22  ASN  93          HD21      ASN  93   7.298  11.015  20.719
  707    H    ASP  94           H        ASP  94   5.633  12.784  23.328
  708    HA   ASP  94           HA       ASP  94   5.510  12.748  26.186
  709    HB2  ASP  94           HB2      ASP  94   3.788  11.738  24.723
  710    HB3  ASP  94           HB3      ASP  94   4.946  10.498  24.227
  711    H    GLU  95           H        GLU  95   7.561  10.991  23.872
  712    HA   GLU  95           HA       GLU  95   9.473  10.272  25.974
  713    HB2  GLU  95           HB2      GLU  95   9.045   7.996  25.894
  714    HB3  GLU  95           HB3      GLU  95   7.442   8.668  25.707
  715    HG2  GLU  95           HG2      GLU  95   7.568   8.331  23.247
  716    HG3  GLU  95           HG3      GLU  95   9.152   7.575  23.462
  717    HA   PRO  96           HA       PRO  96  12.381  10.598  22.657
  718    HB2  PRO  96           HB2      PRO  96  14.291   8.681  23.080
  719    HB3  PRO  96           HB3      PRO  96  14.059  10.072  24.177
  720    HG2  PRO  96           HG2      PRO  96  12.982   7.262  24.490
  721    HG3  PRO  96           HG3      PRO  96  13.815   8.272  25.714
  722    HD2  PRO  96           HD2      PRO  96  11.105   8.054  25.566
  723    HD3  PRO  96           HD3      PRO  96  11.889   9.582  26.073
  724    H    ILE  97           H        ILE  97  13.289   9.629  20.707
  725    HA   ILE  97           HA       ILE  97  11.624   7.382  19.625
  726    HB   ILE  97           HB       ILE  97  12.778   9.824  18.234
  727   HG12  ILE  97          HG12      ILE  97  10.907  10.564  19.495
  728   HG13  ILE  97          HG13      ILE  97  10.384  10.433  17.833
  729   HG21  ILE  97          HG21      ILE  97  11.654   9.069  16.217
  730   HG22  ILE  97          HG22      ILE  97  12.794   7.842  16.710
  731   HG23  ILE  97          HG23      ILE  97  11.064   7.609  17.023
  732   HD11  ILE  97          HD13      ILE  97   8.650   9.660  19.384
  733   HD12  ILE  97          HD11      ILE  97   9.190   8.309  18.367
  734   HD13  ILE  97          HD12      ILE  97   9.714   8.455  20.066
  735    H    LYS  98           H        LYS  98  12.655   5.761  18.654
  736    HA   LYS  98           HA       LYS  98  15.636   5.892  18.459
  737    HB2  LYS  98           HB2      LYS  98  13.946   3.428  19.027
  738    HB3  LYS  98           HB3      LYS  98  15.698   3.514  18.900
  739    HG2  LYS  98           HG2      LYS  98  15.039   5.421  20.896
  740    HG3  LYS  98           HG3      LYS  98  13.938   4.085  21.190
  741    HD2  LYS  98           HD2      LYS  98  16.976   3.940  21.024
  742    HD3  LYS  98           HD3      LYS  98  16.009   3.914  22.503
  743    HE2  LYS  98           HE2      LYS  98  14.933   1.778  21.708
  744    HE3  LYS  98           HE3      LYS  98  16.011   1.800  20.303
  745    HZ1  LYS  98           HZ3      LYS  98  17.895   1.760  21.889
  746    HZ2  LYS  98           HZ1      LYS  98  16.847   1.578  23.133
  747    HZ3  LYS  98           HZ2      LYS  98  16.954   0.416  21.995
  748    H    LEU  99           H        LEU  99  12.700   5.716  16.662
  749    HA   LEU  99           HA       LEU  99  14.272   4.838  14.334
  750    HB2  LEU  99           HB2      LEU  99  13.074   2.851  15.387
  751    HB3  LEU  99           HB3      LEU  99  11.566   3.749  15.218
  752    HG   LEU  99           HG       LEU  99  12.031   3.727  12.669
  753   HD11  LEU  99          HD11      LEU  99  13.862   1.429  13.507
  754   HD12  LEU  99          HD12      LEU  99  13.435   1.863  11.850
  755   HD13  LEU  99          HD13      LEU  99  14.421   2.959  12.815
  756   HD21  LEU  99          HD23      LEU  99  11.008   1.548  12.459
  757   HD22  LEU  99          HD21      LEU  99  11.489   1.096  14.110
  758   HD23  LEU  99          HD22      LEU  99  10.298   2.383  13.825
  759    H    LEU 100           H        LEU 100  13.785   5.845  12.472
  760    HA   LEU 100           HA       LEU 100  11.521   7.785  12.463
  761    HB2  LEU 100           HB2      LEU 100  14.314   8.571  11.585
  762    HB3  LEU 100           HB3      LEU 100  12.920   9.579  11.799
  763    HG   LEU 100           HG       LEU 100  13.383   8.409  14.343
  764   HD11  LEU 100          HD11      LEU 100  16.011   9.361  13.182
  765   HD12  LEU 100          HD12      LEU 100  15.701   8.879  14.867
  766   HD13  LEU 100          HD13      LEU 100  15.593   7.674  13.571
  767   HD21  LEU 100          HD23      LEU 100  13.935  10.602  15.138
  768   HD22  LEU 100          HD21      LEU 100  14.211  11.174  13.481
  769   HD23  LEU 100          HD22      LEU 100  12.581  10.681  14.002
  770    H    ILE 101           H        ILE 101  10.362   7.074  10.678
  771    HA   ILE 101           HA       ILE 101  11.872   6.278   8.271
  772    HB   ILE 101           HB       ILE 101   8.970   5.915   9.119
  773   HG12  ILE 101          HG12      ILE 101   9.582   3.598   8.401
  774   HG13  ILE 101          HG13      ILE 101  11.208   4.159   8.026
  775   HG21  ILE 101          HG21      ILE 101   8.478   5.043   6.884
  776   HG22  ILE 101          HG22      ILE 101   8.804   6.773   6.826
  777   HG23  ILE 101          HG23      ILE 101  10.048   5.627   6.284
  778   HD11  ILE 101          HD13      ILE 101  10.817   2.917  10.259
  779   HD12  ILE 101          HD11      ILE 101  11.795   4.387  10.287
  780   HD13  ILE 101          HD12      ILE 101  10.107   4.435  10.841
  781    H    GLY 102           H        GLY 102  12.450   7.755   6.869
  782    HA2  GLY 102           HA2      GLY 102  11.280  10.477   6.904
  783    HA3  GLY 102           HA3      GLY 102  12.581   9.896   5.852
  784    H    LEU 103           H        LEU 103  10.138  11.282   5.030
  785    HA   LEU 103           HA       LEU 103   9.439   9.513   2.830
  786    HB2  LEU 103           HB2      LEU 103   7.572   9.251   4.639
  787    HB3  LEU 103           HB3      LEU 103   7.218  10.940   4.345
  788    HG   LEU 103           HG       LEU 103   6.833   8.528   2.511
  789   HD11  LEU 103          HD11      LEU 103   4.855  10.705   3.355
  790   HD12  LEU 103          HD12      LEU 103   4.529   9.036   2.847
  791   HD13  LEU 103          HD13      LEU 103   5.213   9.380   4.439
  792   HD21  LEU 103          HD23      LEU 103   5.661  10.277   0.982
  793   HD22  LEU 103          HD21      LEU 103   6.689  11.457   1.753
  794   HD23  LEU 103          HD22      LEU 103   7.389  10.031   0.881
  795    H    SER 104           H        SER 104   9.034  10.883   0.991
  796    HA   SER 104           HA       SER 104   8.828  13.776   1.267
  797    HB2  SER 104           HB2      SER 104  10.547  14.131  -0.512
  798    HB3  SER 104           HB3      SER 104  11.206  13.611   1.052
  799    HG   SER 104           HG       SER 104  11.094  11.416   0.127
  800    H    ALA 105           H        ALA 105   7.459  14.495  -0.531
  801    HA   ALA 105           HA       ALA 105   6.907  12.579  -2.655
  802    HB1  ALA 105           HB3      ALA 105   5.312  11.588  -1.352
  803    HB2  ALA 105           HB1      ALA 105   5.003  13.049  -0.423
  804    HB3  ALA 105           HB2      ALA 105   4.366  12.909  -2.075
  805    H    ALA 106           H        ALA 106   6.466  13.607  -4.489
  806    HA   ALA 106           HA       ALA 106   6.838  16.443  -4.418
  807    HB1  ALA 106           HB3      ALA 106   6.182  14.588  -6.762
  808    HB2  ALA 106           HB1      ALA 106   6.763  16.260  -6.899
  809    HB3  ALA 106           HB2      ALA 106   7.813  15.021  -6.194
  810    H    ASP 107           H        ASP 107   4.010  14.417  -4.424
  811    HA   ASP 107           HA       ASP 107   2.254  16.812  -4.732
  812    HB2  ASP 107           HB2      ASP 107   2.330  15.696  -6.937
  813    HB3  ASP 107           HB3      ASP 107   1.874  14.165  -6.188
  814    H    ALA 108           H        ALA 108   0.142  16.538  -3.707
  815    HA   ALA 108           HA       ALA 108   0.298  15.297  -1.191
  816    HB1  ALA 108           HB3      ALA 108  -2.166  16.210  -2.734
  817    HB2  ALA 108           HB1      ALA 108  -2.083  15.894  -0.989
  818    HB3  ALA 108           HB2      ALA 108  -1.148  17.231  -1.684
  819    H    ASP 109           H        ASP 109  -1.100  14.013  -4.237
  820    HA   ASP 109           HA       ASP 109  -2.306  11.705  -2.874
  821    HB2  ASP 109           HB2      ASP 109  -3.222  12.466  -4.973
  822    HB3  ASP 109           HB3      ASP 109  -1.655  12.234  -5.783
  823    H    SER 110           H        SER 110   0.832  12.493  -4.325
  824    HA   SER 110           HA       SER 110   1.897   9.819  -4.128
  825    HB2  SER 110           HB2      SER 110   3.442  12.438  -4.070
  826    HB3  SER 110           HB3      SER 110   4.054  10.827  -4.430
  827    HG   SER 110           HG       SER 110   3.623  11.964  -6.348
  828    H    HIS 111           H        HIS 111   1.660  12.600  -1.805
  829    HA   HIS 111           HA       HIS 111   3.070  11.293   0.321
  830    HB2  HIS 111           HB2      HIS 111   0.858  13.381   0.390
  831    HB3  HIS 111           HB3      HIS 111   1.452  12.612   1.841
  832    HD1  HIS 111           HD1      HIS 111   3.823  13.393   2.781
  833    HD2  HIS 111           HD2      HIS 111   2.601  15.102  -0.878
  834    HE1  HIS 111           HE1      HIS 111   5.452  15.245   2.260
  835    H    ILE 112           H        ILE 112  -0.435  11.239  -0.559
  836    HA   ILE 112           HA       ILE 112  -1.260   9.481   1.486
  837    HB   ILE 112           HB       ILE 112  -2.263   9.853  -1.374
  838   HG12  ILE 112          HG12      ILE 112  -2.440  11.853   0.105
  839   HG13  ILE 112          HG13      ILE 112  -3.961  11.269  -0.538
  840   HG21  ILE 112          HG21      ILE 112  -3.083   7.698  -0.773
  841   HG22  ILE 112          HG22      ILE 112  -3.611   8.265   0.826
  842   HG23  ILE 112          HG23      ILE 112  -4.413   8.848  -0.657
  843   HD11  ILE 112          HD13      ILE 112  -4.115  11.996   1.798
  844   HD12  ILE 112          HD11      ILE 112  -4.531  10.281   1.631
  845   HD13  ILE 112          HD12      ILE 112  -2.940  10.753   2.283
  846    H    GLY 113           H        GLY 113  -0.201   8.564  -1.880
  847    HA2  GLY 113           HA2      GLY 113  -0.454   5.790  -1.457
  848    HA3  GLY 113           HA3      GLY 113   0.611   6.560  -2.654
  849    H    ALA 114           H        ALA 114   2.315   7.966  -0.812
  850    HA   ALA 114           HA       ALA 114   4.235   5.929  -0.175
  851    HB1  ALA 114           HB3      ALA 114   4.839   8.239  -0.829
  852    HB2  ALA 114           HB1      ALA 114   4.016   8.872   0.603
  853    HB3  ALA 114           HB2      ALA 114   5.467   7.870   0.776
  854    H    ILE 115           H        ILE 115   2.247   8.075   1.960
  855    HA   ILE 115           HA       ILE 115   2.931   7.103   4.402
  856    HB   ILE 115           HB       ILE 115   0.537   8.275   3.159
  857   HG12  ILE 115          HG12      ILE 115   2.472   9.753   3.664
  858   HG13  ILE 115          HG13      ILE 115   0.968  10.269   4.403
  859   HG21  ILE 115          HG21      ILE 115  -0.556   8.634   5.360
  860   HG22  ILE 115          HG22      ILE 115  -0.626   7.020   4.659
  861   HG23  ILE 115          HG23      ILE 115   0.525   7.339   5.984
  862   HD11  ILE 115          HD13      ILE 115   1.683   9.401   6.584
  863   HD12  ILE 115          HD11      ILE 115   3.168   8.756   5.847
  864   HD13  ILE 115          HD12      ILE 115   2.899  10.504   5.918
  865    H    GLN 116           H        GLN 116   0.340   6.001   2.107
  866    HA   GLN 116           HA       GLN 116  -0.701   3.954   3.808
  867    HB2  GLN 116           HB2      GLN 116  -0.896   4.514   0.823
  868    HB3  GLN 116           HB3      GLN 116  -1.726   3.151   1.568
  869    HG2  GLN 116           HG2      GLN 116  -2.087   6.043   2.439
  870    HG3  GLN 116           HG3      GLN 116  -3.131   5.220   1.290
  871   HE21  GLN 116          HE22      GLN 116  -3.192   6.236   4.378
  872   HE22  GLN 116          HE21      GLN 116  -4.104   4.957   5.133
  873    H    ALA 117           H        ALA 117   2.227   3.994   1.953
  874    HA   ALA 117           HA       ALA 117   2.368   1.079   1.849
  875    HB1  ALA 117           HB3      ALA 117   4.501   1.444   0.644
  876    HB2  ALA 117           HB1      ALA 117   3.211   2.389  -0.125
  877    HB3  ALA 117           HB2      ALA 117   4.388   3.186   0.925
  878    H    LEU 118           H        LEU 118   3.930   3.898   3.439
  879    HA   LEU 118           HA       LEU 118   5.642   2.156   4.933
  880    HB2  LEU 118           HB2      LEU 118   6.264   4.091   6.191
  881    HB3  LEU 118           HB3      LEU 118   6.267   4.355   4.429
  882    HG   LEU 118           HG       LEU 118   4.199   5.555   4.578
  883   HD11  LEU 118          HD11      LEU 118   4.641   5.433   7.596
  884   HD12  LEU 118          HD12      LEU 118   3.606   6.643   6.770
  885   HD13  LEU 118          HD13      LEU 118   3.162   4.993   6.744
  886   HD21  LEU 118          HD23      LEU 118   6.522   6.595   6.265
  887   HD22  LEU 118          HD21      LEU 118   6.395   6.693   4.501
  888   HD23  LEU 118          HD22      LEU 118   5.281   7.603   5.529
  889    H    SER 119           H        SER 119   2.438   3.344   5.442
  890    HA   SER 119           HA       SER 119   2.075   2.601   8.130
  891    HB2  SER 119           HB2      SER 119   0.044   2.398   5.867
  892    HB3  SER 119           HB3      SER 119  -0.330   2.368   7.599
  893    HG   SER 119           HG       SER 119   0.833   4.489   6.102
  894    H    GLU 120           H        GLU 120   2.552   0.443   5.384
  895    HA   GLU 120           HA       GLU 120   1.393  -1.899   6.577
  896    HB2  GLU 120           HB2      GLU 120   3.607  -1.643   4.518
  897    HB3  GLU 120           HB3      GLU 120   2.776  -3.133   4.925
  898    HG2  GLU 120           HG2      GLU 120   1.314  -0.692   3.863
  899    HG3  GLU 120           HG3      GLU 120   1.984  -1.931   2.810
  900    H    LEU 121           H        LEU 121   4.174   0.012   7.126
  901    HA   LEU 121           HA       LEU 121   5.536  -2.109   8.725
  902    HB2  LEU 121           HB2      LEU 121   6.652   0.542   7.745
  903    HB3  LEU 121           HB3      LEU 121   7.544  -0.754   8.531
  904    HG   LEU 121           HG       LEU 121   6.329  -0.703   5.739
  905   HD11  LEU 121          HD11      LEU 121   8.686  -0.975   5.035
  906   HD12  LEU 121          HD12      LEU 121   8.449   0.489   6.002
  907   HD13  LEU 121          HD13      LEU 121   9.201  -0.946   6.733
  908   HD21  LEU 121          HD23      LEU 121   7.827  -3.064   7.006
  909   HD22  LEU 121          HD21      LEU 121   6.087  -3.042   6.654
  910   HD23  LEU 121          HD22      LEU 121   7.258  -2.953   5.339
  911    H    LEU 122           H        LEU 122   5.074   1.488   8.909
  912    HA   LEU 122           HA       LEU 122   5.553   1.691  11.641
  913    HB2  LEU 122           HB2      LEU 122   3.847   3.542   9.988
  914    HB3  LEU 122           HB3      LEU 122   4.592   3.863  11.555
  915    HG   LEU 122           HG       LEU 122   5.925   3.583   8.861
  916   HD11  LEU 122          HD11      LEU 122   5.087   5.748  10.021
  917   HD12  LEU 122          HD12      LEU 122   6.497   5.579  11.069
  918   HD13  LEU 122          HD13      LEU 122   6.712   5.743   9.307
  919   HD21  LEU 122          HD23      LEU 122   8.121   3.728  10.059
  920   HD22  LEU 122          HD21      LEU 122   7.316   3.297  11.567
  921   HD23  LEU 122          HD22      LEU 122   7.366   2.149  10.205
  922    H    CYS 123           H        CYS 123   2.548   0.571  10.221
  923    HA   CYS 123           HA       CYS 123   1.251   0.911  12.877
  924    HB2  CYS 123           HB2      CYS 123  -0.116   0.550  10.180
  925    HB3  CYS 123           HB3      CYS 123  -0.884   0.909  11.727
  926    HG   CYS 123           HG       CYS 123   0.288   3.218  12.119
  927    H    GLU 124           H        GLU 124   3.141  -1.173  12.083
  928    HA   GLU 124           HA       GLU 124   1.464  -3.505  12.773
  929    HB2  GLU 124           HB2      GLU 124   3.480  -3.324  10.522
  930    HB3  GLU 124           HB3      GLU 124   3.153  -4.858  11.329
  931    HG2  GLU 124           HG2      GLU 124   0.917  -3.184  10.148
  932    HG3  GLU 124           HG3      GLU 124   1.844  -4.332   9.187
  933    H    GLU 125           H        GLU 125   1.989  -3.492  14.839
  934    HA   GLU 125           HA       GLU 125   4.443  -2.754  15.950
  935    HB2  GLU 125           HB2      GLU 125   3.679  -3.776  18.007
  936    HB3  GLU 125           HB3      GLU 125   2.368  -2.905  17.214
  937    HG2  GLU 125           HG2      GLU 125   1.496  -5.092  16.326
  938    HG3  GLU 125           HG3      GLU 125   2.774  -5.932  17.205
  939    H    GLU 126           H        GLU 126   3.571  -5.824  14.500
  940    HA   GLU 126           HA       GLU 126   5.693  -7.386  15.578
  941    HB2  GLU 126           HB2      GLU 126   4.308  -7.685  12.875
  942    HB3  GLU 126           HB3      GLU 126   5.276  -8.912  13.708
  943    HG2  GLU 126           HG2      GLU 126   3.619  -8.771  15.631
  944    HG3  GLU 126           HG3      GLU 126   2.623  -7.731  14.603
  945    H    ILE 127           H        ILE 127   5.390  -5.347  12.680
  946    HA   ILE 127           HA       ILE 127   8.068  -5.803  11.696
  947    HB   ILE 127           HB       ILE 127   5.882  -3.862  11.073
  948   HG12  ILE 127          HG12      ILE 127   5.959  -4.813   8.878
  949   HG13  ILE 127          HG13      ILE 127   7.461  -5.678   9.222
  950   HG21  ILE 127          HG21      ILE 127   7.462  -2.999   9.241
  951   HG22  ILE 127          HG22      ILE 127   7.690  -2.391  10.883
  952   HG23  ILE 127          HG23      ILE 127   8.765  -3.653  10.239
  953   HD11  ILE 127          HD13      ILE 127   4.776  -6.329  10.486
  954   HD12  ILE 127          HD11      ILE 127   5.475  -7.146   9.076
  955   HD13  ILE 127          HD12      ILE 127   6.292  -7.262  10.639
  956    H    LEU 128           H        LEU 128   6.474  -3.311  13.752
  957    HA   LEU 128           HA       LEU 128   8.629  -1.559  13.887
  958    HB2  LEU 128           HB2      LEU 128   6.659  -2.204  16.126
  959    HB3  LEU 128           HB3      LEU 128   7.773  -0.850  16.132
  960    HG   LEU 128           HG       LEU 128   5.454  -1.233  14.206
  961   HD11  LEU 128          HD11      LEU 128   5.977   0.780  16.419
  962   HD12  LEU 128          HD12      LEU 128   4.583   0.783  15.313
  963   HD13  LEU 128          HD13      LEU 128   4.803  -0.541  16.461
  964   HD21  LEU 128          HD23      LEU 128   7.028  -0.169  12.846
  965   HD22  LEU 128          HD21      LEU 128   6.127   1.173  13.568
  966   HD23  LEU 128          HD22      LEU 128   7.736   0.754  14.184
  967    H    GLU 129           H        GLU 129   8.115  -4.426  15.937
  968    HA   GLU 129           HA       GLU 129  10.411  -3.926  17.557
  969    HB2  GLU 129           HB2      GLU 129   8.505  -6.208  17.167
  970    HB3  GLU 129           HB3      GLU 129  10.111  -6.612  17.792
  971    HG2  GLU 129           HG2      GLU 129   9.905  -4.957  19.579
  972    HG3  GLU 129           HG3      GLU 129   8.295  -4.496  19.004
  973    H    GLN 130           H        GLN 130   9.930  -5.634  14.428
  974    HA   GLN 130           HA       GLN 130  12.488  -6.951  14.564
  975    HB2  GLN 130           HB2      GLN 130  10.385  -6.534  12.416
  976    HB3  GLN 130           HB3      GLN 130  11.917  -7.382  12.102
  977    HG2  GLN 130           HG2      GLN 130  11.473  -9.042  13.769
  978    HG3  GLN 130           HG3      GLN 130  10.012  -8.210  14.309
  979   HE21  GLN 130          HE22      GLN 130   8.121  -8.309  13.039
  980   HE22  GLN 130          HE21      GLN 130   7.920  -9.486  11.746
  981    H    LEU 131           H        LEU 131  11.243  -3.856  13.281
  982    HA   LEU 131           HA       LEU 131  13.761  -3.057  12.057
  983    HB2  LEU 131           HB2      LEU 131  11.553  -1.353  13.276
  984    HB3  LEU 131           HB3      LEU 131  12.913  -0.743  12.340
  985    HG   LEU 131           HG       LEU 131  10.897  -2.769  11.210
  986   HD11  LEU 131          HD11      LEU 131  10.713   0.219  10.843
  987   HD12  LEU 131          HD12      LEU 131   9.555  -1.021  10.358
  988   HD13  LEU 131          HD13      LEU 131   9.803  -0.685  12.091
  989   HD21  LEU 131          HD23      LEU 131  12.782  -0.788   9.896
  990   HD22  LEU 131          HD21      LEU 131  12.961  -2.545   9.908
  991   HD23  LEU 131          HD22      LEU 131  11.617  -1.791   9.028
  992    H    LEU 132           H        LEU 132  12.113  -2.239  15.131
  993    HA   LEU 132           HA       LEU 132  14.186  -0.751  16.254
  994    HB2  LEU 132           HB2      LEU 132  11.963  -2.333  17.543
  995    HB3  LEU 132           HB3      LEU 132  13.085  -1.419  18.523
  996    HG   LEU 132           HG       LEU 132  11.510  -0.096  16.284
  997   HD11  LEU 132          HD11      LEU 132  10.807  -0.276  19.248
  998   HD12  LEU 132          HD12      LEU 132   9.952   0.687  18.023
  999   HD13  LEU 132          HD13      LEU 132   9.940  -1.079  17.922
 1000   HD21  LEU 132          HD23      LEU 132  12.008   1.969  17.545
 1001   HD22  LEU 132          HD21      LEU 132  12.936   1.032  18.735
 1002   HD23  LEU 132          HD22      LEU 132  13.503   1.161  17.059
 1003    H    THR 133           H        THR 133  14.380  -4.150  15.810
 1004    HA   THR 133           HA       THR 133  16.564  -4.340  17.809
 1005    HB   THR 133           HB       THR 133  16.088  -6.787  17.768
 1006    HG1  THR 133           HG1      THR 133  13.651  -6.054  16.541
 1007   HG21  THR 133          HG23      THR 133  13.694  -5.074  18.611
 1008   HG22  THR 133          HG21      THR 133  14.077  -6.711  19.170
 1009   HG23  THR 133          HG22      THR 133  15.159  -5.366  19.569
 1010    H    ALA 134           H        ALA 134  16.274  -3.609  14.679
 1011    HA   ALA 134           HA       ALA 134  17.925  -5.379  13.240
 1012    HB1  ALA 134           HB3      ALA 134  16.528  -3.670  12.181
 1013    HB2  ALA 134           HB1      ALA 134  17.514  -2.382  12.913
 1014    HB3  ALA 134           HB2      ALA 134  18.236  -3.475  11.718
 1015    H    SER 135           H        SER 135  19.924  -6.000  13.975
 1016    HA   SER 135           HA       SER 135  21.664  -4.370  15.499
 1017    HB2  SER 135           HB2      SER 135  22.422  -6.703  13.697
 1018    HB3  SER 135           HB3      SER 135  23.257  -6.164  15.164
 1019    HG   SER 135           HG       SER 135  21.438  -6.821  16.366
 1020    H    SER 136           H        SER 136  21.131  -4.592  12.028
 1021    HA   SER 136           HA       SER 136  23.239  -2.617  11.435
 1022    HB2  SER 136           HB2      SER 136  23.039  -5.330  10.044
 1023    HB3  SER 136           HB3      SER 136  24.209  -4.046   9.703
 1024    HG   SER 136           HG       SER 136  25.093  -5.714  10.997
 1025    H    GLU 137           H        GLU 137  22.985  -1.769   9.251
 1026    HA   GLU 137           HA       GLU 137  20.393  -1.036   8.544
 1027    HB2  GLU 137           HB2      GLU 137  22.910  -1.194   6.803
 1028    HB3  GLU 137           HB3      GLU 137  21.422  -0.342   6.390
 1029    HG2  GLU 137           HG2      GLU 137  22.749   1.320   7.054
 1030    HG3  GLU 137           HG3      GLU 137  21.666   1.032   8.411
 1031    H    LYS 138           H        LYS 138  22.276  -3.820   7.419
 1032    HA   LYS 138           HA       LYS 138  20.742  -4.574   5.244
 1033    HB2  LYS 138           HB2      LYS 138  22.888  -5.628   5.914
 1034    HB3  LYS 138           HB3      LYS 138  22.087  -6.404   7.279
 1035    HG2  LYS 138           HG2      LYS 138  22.446  -7.979   5.460
 1036    HG3  LYS 138           HG3      LYS 138  20.721  -7.762   5.750
 1037    HD2  LYS 138           HD2      LYS 138  20.555  -6.283   3.758
 1038    HD3  LYS 138           HD3      LYS 138  22.307  -6.362   3.549
 1039    HE2  LYS 138           HE2      LYS 138  21.315  -7.845   1.955
 1040    HE3  LYS 138           HE3      LYS 138  22.144  -8.821   3.168
 1041    HZ1  LYS 138           HZ3      LYS 138  19.219  -8.329   3.083
 1042    HZ2  LYS 138           HZ1      LYS 138  19.960  -9.701   2.615
 1043    HZ3  LYS 138           HZ2      LYS 138  19.985  -9.272   4.184
 1044    H    GLN 139           H        GLN 139  19.856  -5.156   8.713
 1045    HA   GLN 139           HA       GLN 139  17.695  -6.861   7.959
 1046    HB2  GLN 139           HB2      GLN 139  19.039  -7.247   9.925
 1047    HB3  GLN 139           HB3      GLN 139  18.794  -5.591  10.491
 1048    HG2  GLN 139           HG2      GLN 139  17.488  -7.075  11.763
 1049    HG3  GLN 139           HG3      GLN 139  16.467  -5.991  10.814
 1050   HE21  GLN 139          HE22      GLN 139  15.237  -6.932   8.993
 1051   HE22  GLN 139          HE21      GLN 139  15.043  -8.646   8.760
 1052    H    LEU 140           H        LEU 140  18.203  -3.361   8.471
 1053    HA   LEU 140           HA       LEU 140  15.383  -2.718   8.804
 1054    HB2  LEU 140           HB2      LEU 140  17.848  -1.144   8.014
 1055    HB3  LEU 140           HB3      LEU 140  16.258  -0.435   7.927
 1056    HG   LEU 140           HG       LEU 140  17.493  -1.568  10.445
 1057   HD11  LEU 140          HD11      LEU 140  17.816   0.755  11.127
 1058   HD12  LEU 140          HD12      LEU 140  18.658   0.465   9.602
 1059   HD13  LEU 140          HD13      LEU 140  17.120   1.341   9.611
 1060   HD21  LEU 140          HD23      LEU 140  14.938  -0.003  10.126
 1061   HD22  LEU 140          HD21      LEU 140  15.121  -1.695  10.680
 1062   HD23  LEU 140          HD22      LEU 140  15.739  -0.381  11.656
 1063    H    ALA 141           H        ALA 141  17.717  -2.677   6.070
 1064    HA   ALA 141           HA       ALA 141  15.884  -2.185   3.994
 1065    HB1  ALA 141           HB3      ALA 141  17.633  -3.019   2.518
 1066    HB2  ALA 141           HB1      ALA 141  18.363  -2.053   3.814
 1067    HB3  ALA 141           HB2      ALA 141  18.451  -3.825   3.877
 1068    H    ASP 142           H        ASP 142  16.789  -5.344   5.488
 1069    HA   ASP 142           HA       ASP 142  15.433  -7.023   3.680
 1070    HB2  ASP 142           HB2      ASP 142  16.821  -8.016   5.353
 1071    HB3  ASP 142           HB3      ASP 142  15.939  -7.222   6.653
 1072    H    ILE 143           H        ILE 143  14.119  -5.220   6.540
 1073    HA   ILE 143           HA       ILE 143  11.509  -6.351   6.273
 1074    HB   ILE 143           HB       ILE 143  12.738  -4.038   7.787
 1075   HG12  ILE 143          HG12      ILE 143  11.558  -6.693   8.764
 1076   HG13  ILE 143          HG13      ILE 143  13.255  -6.511   8.342
 1077   HG21  ILE 143          HG21      ILE 143   9.871  -5.049   7.907
 1078   HG22  ILE 143          HG22      ILE 143  10.625  -3.971   9.103
 1079   HG23  ILE 143          HG23      ILE 143  10.429  -3.422   7.438
 1080   HD11  ILE 143          HD13      ILE 143  13.146  -6.337  10.675
 1081   HD12  ILE 143          HD11      ILE 143  13.456  -4.709  10.087
 1082   HD13  ILE 143          HD12      ILE 143  11.815  -5.167  10.643
 1083    H    ILE 144           H        ILE 144  13.083  -3.409   5.010
 1084    HA   ILE 144           HA       ILE 144  10.763  -2.323   3.705
 1085    HB   ILE 144           HB       ILE 144  13.703  -2.286   2.865
 1086   HG12  ILE 144          HG12      ILE 144  13.452  -1.055   4.874
 1087   HG13  ILE 144          HG13      ILE 144  13.598   0.109   3.564
 1088   HG21  ILE 144          HG21      ILE 144  11.411  -0.757   1.591
 1089   HG22  ILE 144          HG22      ILE 144  13.138  -0.416   1.347
 1090   HG23  ILE 144          HG23      ILE 144  12.469  -1.958   0.830
 1091   HD11  ILE 144          HD13      ILE 144  11.856   0.955   4.900
 1092   HD12  ILE 144          HD11      ILE 144  10.986   0.146   3.580
 1093   HD13  ILE 144          HD12      ILE 144  11.148  -0.649   5.160
 1094    H    SER 145           H        SER 145  13.178  -4.682   2.595
 1095    HA   SER 145           HA       SER 145  12.065  -4.929   0.039
 1096    HB2  SER 145           HB2      SER 145  13.754  -6.980   1.551
 1097    HB3  SER 145           HB3      SER 145  13.543  -6.892  -0.205
 1098    HG   SER 145           HG       SER 145  14.808  -5.006   1.516
 1099    H    ARG 146           H        ARG 146  11.278  -6.615   3.056
 1100    HA   ARG 146           HA       ARG 146   9.730  -8.725   2.182
 1101    HB2  ARG 146           HB2      ARG 146  10.559  -7.616   4.564
 1102    HB3  ARG 146           HB3      ARG 146   8.865  -7.128   4.587
 1103    HG2  ARG 146           HG2      ARG 146   8.235  -9.509   4.216
 1104    HG3  ARG 146           HG3      ARG 146   9.967  -9.932   4.214
 1105    HD2  ARG 146           HD2      ARG 146   8.596  -8.498   6.530
 1106    HD3  ARG 146           HD3      ARG 146   8.684 -10.270   6.417
 1107    HE   ARG 146           HE       ARG 146  11.306  -9.155   6.113
 1108   HH11  ARG 146          HH21      ARG 146   8.843  -9.831   8.578
 1109   HH12  ARG 146          HH22      ARG 146   9.988  -9.968   9.878
 1110   HH21  ARG 146          HH11      ARG 146  12.823  -9.349   7.832
 1111   HH22  ARG 146          HH12      ARG 146  12.268  -9.724   9.440
 1112    H    GLY 147           H        GLY 147   8.976  -5.306   2.013
 1113    HA2  GLY 147           HA2      GLY 147   6.052  -5.690   1.998
 1114    HA3  GLY 147           HA3      GLY 147   6.955  -4.172   1.870