*HEADER    OXIDOREDUCTASE                          26-JUL-10   2L17              
*TITLE     AN ARSENATE REDUCTASE IN THE REDUCED STATE                            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ARSENATE REDUCTASE;                                        
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: SYNARSC;                                                    
*COMPND   5 EC: 1.20.4.1;                                                        
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: SYNECHOCYSTIS;                                  
*SOURCE   3 ORGANISM_TAXID: 1148;                                                
*SOURCE   4 STRAIN: PCC 6803;                                                    
*SOURCE   5 GENE: ARSC, SLR0946;                                                 
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: VECTOR;                               
*SOURCE  10 EXPRESSION_SYSTEM_VECTOR: PET28A(+)                                  
*KEYWDS    ALPHA/BETA SANDWICH, OXIDOREDUCTASE                                   
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    C.YU, B.XIA, C.JIN                                                    
*REVDAT   1   13-APR-11 2L17    0                                                


# 2001 atoms read from pdb file prm1.pdb.
# 3 LYS PHI:  (2 LYS C)-(3 LYS N)-(3 LYS CA)-(3 LYS C) -121.0 -73.8
 &rst     iat =    40,    42,    44,    62,
   r1 = -122.0, r2 = -121.0, r3 = -73.8, r4 = -72.8,
   rk2 =   50.0, rk3 =   50.0,    &end

# 3 LYS PSI:  (3 LYS N)-(3 LYS CA)-(3 LYS C)-(4 VAL N) 120.0 145.8
 &rst     iat =    42,    44,    62,    64,
   r1 = 119.0, r2 = 120.0, r3 = 145.8, r4 = 146.8,
 &end

# 4 VAL PHI:  (3 LYS C)-(4 VAL N)-(4 VAL CA)-(4 VAL C) -145.0 -112.5
 &rst     iat =    62,    64,    66,    78,
   r1 = -146.0, r2 = -145.0, r3 = -112.5, r4 = -111.5,
 &end

# 4 VAL PSI:  (4 VAL N)-(4 VAL CA)-(4 VAL C)-(5 MET N) 125.3 153.3
 &rst     iat =    64,    66,    78,    80,
   r1 = 124.3, r2 = 125.3, r3 = 153.3, r4 = 154.3,
 &end

# 6 PHE PHI:  (5 MET C)-(6 PHE N)-(6 PHE CA)-(6 PHE C) -146.5 -86.5
 &rst     iat =    95,    97,    99,   115,
   r1 = -147.5, r2 = -146.5, r3 = -86.5, r4 = -85.5,
 &end

# 6 PHE PSI:  (6 PHE N)-(6 PHE CA)-(6 PHE C)-(7 VAL N) 107.1 167.1
 &rst     iat =    97,    99,   115,   117,
   r1 = 106.1, r2 = 107.1, r3 = 167.1, r4 = 168.1,
 &end

# 16 GLN PHI:  (15 SER C)-(16 GLN N)-(16 GLN CA)-(16 GLN C) -95.0 -35.0
 &rst     iat =   259,   261,   263,   276,
   r1 = -96.0, r2 = -95.0, r3 = -35.0, r4 = -34.0,
 &end

# 16 GLN PSI:  (16 GLN N)-(16 GLN CA)-(16 GLN C)-(17 MET N) -66.2  -6.2
 &rst     iat =   261,   263,   276,   278,
   r1 = -67.2, r2 = -66.2, r3 =  -6.2, r4 =  -5.2,
 &end

# 17 MET PHI:  (16 GLN C)-(17 MET N)-(17 MET CA)-(17 MET C) -72.8 -63.6
 &rst     iat =   276,   278,   280,   293,
   r1 = -73.8, r2 = -72.8, r3 = -63.6, r4 = -62.6,
 &end

# 17 MET PSI:  (17 MET N)-(17 MET CA)-(17 MET C)-(18 ALA N) -45.6 -29.6
 &rst     iat =   278,   280,   293,   295,
   r1 = -46.6, r2 = -45.6, r3 = -29.6, r4 = -28.6,
 &end

# 18 ALA PHI:  (17 MET C)-(18 ALA N)-(18 ALA CA)-(18 ALA C) -77.5 -62.0
 &rst     iat =   293,   295,   297,   303,
   r1 = -78.5, r2 = -77.5, r3 = -62.0, r4 = -61.0,
 &end

# 18 ALA PSI:  (18 ALA N)-(18 ALA CA)-(18 ALA C)-(19 GLU N) -51.1 -33.3
 &rst     iat =   295,   297,   303,   305,
   r1 = -52.1, r2 = -51.1, r3 = -33.3, r4 = -32.3,
 &end

# 19 GLU PHI:  (18 ALA C)-(19 GLU N)-(19 GLU CA)-(19 GLU C) -68.4 -58.8
 &rst     iat =   303,   305,   307,   318,
   r1 = -69.4, r2 = -68.4, r3 = -58.8, r4 = -57.8,
 &end

# 19 GLU PSI:  (19 GLU N)-(19 GLU CA)-(19 GLU C)-(20 GLY N) -47.9 -33.7
 &rst     iat =   305,   307,   318,   320,
   r1 = -48.9, r2 = -47.9, r3 = -33.7, r4 = -32.7,
 &end

# 20 GLY PHI:  (19 GLU C)-(20 GLY N)-(20 GLY CA)-(20 GLY C) -71.4 -60.8
 &rst     iat =   318,   320,   322,   325,
   r1 = -72.4, r2 = -71.4, r3 = -60.8, r4 = -59.8,
 &end

# 20 GLY PSI:  (20 GLY N)-(20 GLY CA)-(20 GLY C)-(21 PHE N) -45.0 -32.2
 &rst     iat =   320,   322,   325,   327,
   r1 = -46.0, r2 = -45.0, r3 = -32.2, r4 = -31.2,
 &end

# 21 PHE PHI:  (20 GLY C)-(21 PHE N)-(21 PHE CA)-(21 PHE C) -71.3 -57.7
 &rst     iat =   325,   327,   329,   345,
   r1 = -72.3, r2 = -71.3, r3 = -57.7, r4 = -56.7,
 &end

# 21 PHE PSI:  (21 PHE N)-(21 PHE CA)-(21 PHE C)-(22 ALA N) -48.4 -36.2
 &rst     iat =   327,   329,   345,   347,
   r1 = -49.4, r2 = -48.4, r3 = -36.2, r4 = -35.2,
 &end

# 22 ALA PHI:  (21 PHE C)-(22 ALA N)-(22 ALA CA)-(22 ALA C) -72.4 -61.7
 &rst     iat =   345,   347,   349,   355,
   r1 = -73.4, r2 = -72.4, r3 = -61.7, r4 = -60.7,
 &end

# 22 ALA PSI:  (22 ALA N)-(22 ALA CA)-(22 ALA C)-(23 LYS N) -48.4 -26.1
 &rst     iat =   347,   349,   355,   357,
   r1 = -49.4, r2 = -48.4, r3 = -26.1, r4 = -25.1,
 &end

# 23 LYS PHI:  (22 ALA C)-(23 LYS N)-(23 LYS CA)-(23 LYS C) -92.9 -32.9
 &rst     iat =   355,   357,   359,   377,
   r1 = -93.9, r2 = -92.9, r3 = -32.9, r4 = -31.9,
 &end

# 23 LYS PSI:  (23 LYS N)-(23 LYS CA)-(23 LYS C)-(24 THR N) -74.7 -14.6
 &rst     iat =   357,   359,   377,   379,
   r1 = -75.7, r2 = -74.7, r3 = -14.6, r4 = -13.6,
 &end

# 24 THR PHI:  (23 LYS C)-(24 THR N)-(24 THR CA)-(24 THR C) -84.7 -55.1
 &rst     iat =   377,   379,   381,   391,
   r1 = -85.7, r2 = -84.7, r3 = -55.1, r4 = -54.1,
 &end

# 24 THR PSI:  (24 THR N)-(24 THR CA)-(24 THR C)-(25 LEU N) -50.3 -30.7
 &rst     iat =   379,   381,   391,   393,
   r1 = -51.3, r2 = -50.3, r3 = -30.7, r4 = -29.7,
 &end

# 25 LEU PHI:  (24 THR C)-(25 LEU N)-(25 LEU CA)-(25 LEU C) -92.8 -68.7
 &rst     iat =   391,   393,   395,   410,
   r1 = -93.8, r2 = -92.8, r3 = -68.7, r4 = -67.7,
 &end

# 25 LEU PSI:  (25 LEU N)-(25 LEU CA)-(25 LEU C)-(26 GLY N) -23.7  13.7
 &rst     iat =   393,   395,   410,   412,
   r1 = -24.7, r2 = -23.7, r3 =  13.7, r4 =  14.7,
 &end

# 31 ALA PHI:  (30 ILE C)-(31 ALA N)-(31 ALA CA)-(31 ALA C) -141.9 -82.0
 &rst     iat =   475,   477,   479,   485,
   r1 = -142.9, r2 = -141.9, r3 = -82.0, r4 = -81.0,
 &end

# 31 ALA PSI:  (31 ALA N)-(31 ALA CA)-(31 ALA C)-(32 VAL N)  94.9 154.9
 &rst     iat =   477,   479,   485,   487,
   r1 =  93.9, r2 =  94.9, r3 = 154.9, r4 = 155.9,
 &end

# 32 VAL PHI:  (31 ALA C)-(32 VAL N)-(32 VAL CA)-(32 VAL C) -143.8 -83.8
 &rst     iat =   485,   487,   489,   501,
   r1 = -144.8, r2 = -143.8, r3 = -83.8, r4 = -82.8,
 &end

# 32 VAL PSI:  (32 VAL N)-(32 VAL CA)-(32 VAL C)-(33 THR N) 105.5 165.5
 &rst     iat =   487,   489,   501,   503,
   r1 = 104.5, r2 = 105.5, r3 = 165.5, r4 = 166.5,
 &end

# 45 THR PHI:  (44 PRO C)-(45 THR N)-(45 THR CA)-(45 THR C) -77.3 -59.7
 &rst     iat =   671,   673,   675,   685,
   r1 = -78.3, r2 = -77.3, r3 = -59.7, r4 = -58.7,
 &end

# 45 THR PSI:  (45 THR N)-(45 THR CA)-(45 THR C)-(46 ALA N) -46.8 -34.8
 &rst     iat =   673,   675,   685,   687,
   r1 = -47.8, r2 = -46.8, r3 = -34.8, r4 = -33.8,
 &end

# 46 ALA PHI:  (45 THR C)-(46 ALA N)-(46 ALA CA)-(46 ALA C) -71.5 -62.1
 &rst     iat =   685,   687,   689,   695,
   r1 = -72.5, r2 = -71.5, r3 = -62.1, r4 = -61.1,
 &end

# 46 ALA PSI:  (46 ALA N)-(46 ALA CA)-(46 ALA C)-(47 ILE N) -44.0 -35.9
 &rst     iat =   687,   689,   695,   697,
   r1 = -45.0, r2 = -44.0, r3 = -35.9, r4 = -34.9,
 &end

# 47 ILE PHI:  (46 ALA C)-(47 ILE N)-(47 ILE CA)-(47 ILE C) -72.7 -60.2
 &rst     iat =   695,   697,   699,   714,
   r1 = -73.7, r2 = -72.7, r3 = -60.2, r4 = -59.2,
 &end

# 47 ILE PSI:  (47 ILE N)-(47 ILE CA)-(47 ILE C)-(48 ALA N) -43.6 -29.5
 &rst     iat =   697,   699,   714,   716,
   r1 = -44.6, r2 = -43.6, r3 = -29.5, r4 = -28.5,
 &end

# 48 ALA PHI:  (47 ILE C)-(48 ALA N)-(48 ALA CA)-(48 ALA C) -71.4 -56.7
 &rst     iat =   714,   716,   718,   724,
   r1 = -72.4, r2 = -71.4, r3 = -56.7, r4 = -55.7,
 &end

# 48 ALA PSI:  (48 ALA N)-(48 ALA CA)-(48 ALA C)-(49 MET N) -49.8 -22.3
 &rst     iat =   716,   718,   724,   726,
   r1 = -50.8, r2 = -49.8, r3 = -22.3, r4 = -21.3,
 &end

# 49 MET PHI:  (48 ALA C)-(49 MET N)-(49 MET CA)-(49 MET C) -104.4 -44.4
 &rst     iat =   724,   726,   728,   741,
   r1 = -105.4, r2 = -104.4, r3 = -44.4, r4 = -43.4,
 &end

# 49 MET PSI:  (49 MET N)-(49 MET CA)-(49 MET C)-(50 MET N) -66.9  -6.9
 &rst     iat =   726,   728,   741,   743,
   r1 = -67.9, r2 = -66.9, r3 =  -6.9, r4 =  -5.9,
 &end

# 65 ILE PHI:  (64 PRO C)-(65 ILE N)-(65 ILE CA)-(65 ILE C) -95.0 -35.0
 &rst     iat =   947,   949,   951,   966,
   r1 = -96.0, r2 = -95.0, r3 = -35.0, r4 = -34.0,
 &end

# 65 ILE PSI:  (65 ILE N)-(65 ILE CA)-(65 ILE C)-(66 GLU N) -57.0   3.0
 &rst     iat =   949,   951,   966,   968,
   r1 = -58.0, r2 = -57.0, r3 =   3.0, r4 =   4.0,
 &end

# 66 GLU PHI:  (65 ILE C)-(66 GLU N)-(66 GLU CA)-(66 GLU C) -98.2 -69.0
 &rst     iat =   966,   968,   970,   981,
   r1 = -99.2, r2 = -98.2, r3 = -69.0, r4 = -68.0,
 &end

# 66 GLU PSI:  (66 GLU N)-(66 GLU CA)-(66 GLU C)-(67 ASN N) -27.0  11.8
 &rst     iat =   968,   970,   981,   983,
   r1 = -28.0, r2 = -27.0, r3 =  11.8, r4 =  12.8,
 &end

# 75 VAL PHI:  (74 ASP C)-(75 VAL N)-(75 VAL CA)-(75 VAL C) -139.2 -104.1
 &rst     iat =  1096,  1098,  1100,  1112,
   r1 = -140.2, r2 = -139.2, r3 = -104.1, r4 = -103.1,
 &end

# 75 VAL PSI:  (75 VAL N)-(75 VAL CA)-(75 VAL C)-(76 VAL N) 115.7 137.0
 &rst     iat =  1098,  1100,  1112,  1114,
   r1 = 114.7, r2 = 115.7, r3 = 137.0, r4 = 138.0,
 &end

# 76 VAL PHI:  (75 VAL C)-(76 VAL N)-(76 VAL CA)-(76 VAL C) -142.4 -82.4
 &rst     iat =  1112,  1114,  1116,  1128,
   r1 = -143.4, r2 = -142.4, r3 = -82.4, r4 = -81.4,
 &end

# 76 VAL PSI:  (76 VAL N)-(76 VAL CA)-(76 VAL C)-(77 ILE N)  93.5 153.5
 &rst     iat =  1114,  1116,  1128,  1130,
   r1 =  92.5, r2 =  93.5, r3 = 153.5, r4 = 154.5,
 &end

# 95 ILE PHI:  (94 GLU C)-(95 ILE N)-(95 ILE CA)-(95 ILE C) -153.9 -94.1
 &rst     iat =  1391,  1393,  1395,  1410,
   r1 = -154.9, r2 = -153.9, r3 = -94.1, r4 = -93.1,
 &end

# 95 ILE PSI:  (95 ILE N)-(95 ILE CA)-(95 ILE C)-(96 PHE N) 127.2 169.9
 &rst     iat =  1393,  1395,  1410,  1412,
   r1 = 126.2, r2 = 127.2, r3 = 169.9, r4 = 170.9,
 &end

# 96 PHE PHI:  (95 ILE C)-(96 PHE N)-(96 PHE CA)-(96 PHE C) -149.3 -89.3
 &rst     iat =  1410,  1412,  1414,  1430,
   r1 = -150.3, r2 = -149.3, r3 = -89.3, r4 = -88.3,
 &end

# 96 PHE PSI:  (96 PHE N)-(96 PHE CA)-(96 PHE C)-(97 GLU N) 100.4 160.4
 &rst     iat =  1412,  1414,  1430,  1432,
   r1 =  99.4, r2 = 100.4, r3 = 160.4, r4 = 161.4,
 &end

# 97 GLU PHI:  (96 PHE C)-(97 GLU N)-(97 GLU CA)-(97 GLU C) -174.8 -114.8
 &rst     iat =  1430,  1432,  1434,  1445,
   r1 = -175.8, r2 = -174.8, r3 = -114.8, r4 = -113.8,
 &end

# 97 GLU PSI:  (97 GLU N)-(97 GLU CA)-(97 GLU C)-(98 ASP N) 122.3 182.3
 &rst     iat =  1432,  1434,  1445,  1447,
   r1 = 121.3, r2 = 122.3, r3 = 182.3, r4 = 183.3,
 &end

# 109 LEU PHI:  (108 SER C)-(109 LEU N)-(109 LEU CA)-(109 LEU C) -67.5 -55.4
 &rst     iat =  1605,  1607,  1609,  1624,
   r1 = -68.5, r2 = -67.5, r3 = -55.4, r4 = -54.4,
 &end

# 109 LEU PSI:  (109 LEU N)-(109 LEU CA)-(109 LEU C)-(110 GLU N) -43.5 -28.4
 &rst     iat =  1607,  1609,  1624,  1626,
   r1 = -44.5, r2 = -43.5, r3 = -28.4, r4 = -27.4,
 &end

# 110 GLU PHI:  (109 LEU C)-(110 GLU N)-(110 GLU CA)-(110 GLU C) -69.9 -57.2
 &rst     iat =  1624,  1626,  1628,  1639,
   r1 = -70.9, r2 = -69.9, r3 = -57.2, r4 = -56.2,
 &end

# 110 GLU PSI:  (110 GLU N)-(110 GLU CA)-(110 GLU C)-(111 VAL N) -44.1 -35.1
 &rst     iat =  1626,  1628,  1639,  1641,
   r1 = -45.1, r2 = -44.1, r3 = -35.1, r4 = -34.1,
 &end

# 111 VAL PHI:  (110 GLU C)-(111 VAL N)-(111 VAL CA)-(111 VAL C) -76.2 -61.9
 &rst     iat =  1639,  1641,  1643,  1655,
   r1 = -77.2, r2 = -76.2, r3 = -61.9, r4 = -60.9,
 &end

# 111 VAL PSI:  (111 VAL N)-(111 VAL CA)-(111 VAL C)-(112 PHE N) -45.5 -35.4
 &rst     iat =  1641,  1643,  1655,  1657,
   r1 = -46.5, r2 = -45.5, r3 = -35.4, r4 = -34.4,
 &end

# 112 PHE PHI:  (111 VAL C)-(112 PHE N)-(112 PHE CA)-(112 PHE C) -92.8 -32.8
 &rst     iat =  1655,  1657,  1659,  1675,
   r1 = -93.8, r2 = -92.8, r3 = -32.8, r4 = -31.8,
 &end

# 112 PHE PSI:  (112 PHE N)-(112 PHE CA)-(112 PHE C)-(113 ARG N) -74.0 -14.0
 &rst     iat =  1657,  1659,  1675,  1677,
   r1 = -75.0, r2 = -74.0, r3 = -14.0, r4 = -13.0,
 &end

# 113 ARG PHI:  (112 PHE C)-(113 ARG N)-(113 ARG CA)-(113 ARG C) -73.3 -59.3
 &rst     iat =  1675,  1677,  1679,  1699,
   r1 = -74.3, r2 = -73.3, r3 = -59.3, r4 = -58.3,
 &end

# 113 ARG PSI:  (113 ARG N)-(113 ARG CA)-(113 ARG C)-(114 THR N) -45.8 -29.8
 &rst     iat =  1677,  1679,  1699,  1701,
   r1 = -46.8, r2 = -45.8, r3 = -29.8, r4 = -28.8,
 &end

# 114 THR PHI:  (113 ARG C)-(114 THR N)-(114 THR CA)-(114 THR C) -74.0 -57.9
 &rst     iat =  1699,  1701,  1703,  1713,
   r1 = -75.0, r2 = -74.0, r3 = -57.9, r4 = -56.9,
 &end

# 114 THR PSI:  (114 THR N)-(114 THR CA)-(114 THR C)-(115 VAL N) -48.5 -24.6
 &rst     iat =  1701,  1703,  1713,  1715,
   r1 = -49.5, r2 = -48.5, r3 = -24.6, r4 = -23.6,
 &end

# 115 VAL PHI:  (114 THR C)-(115 VAL N)-(115 VAL CA)-(115 VAL C) -76.7 -59.5
 &rst     iat =  1713,  1715,  1717,  1729,
   r1 = -77.7, r2 = -76.7, r3 = -59.5, r4 = -58.5,
 &end

# 115 VAL PSI:  (115 VAL N)-(115 VAL CA)-(115 VAL C)-(116 ARG N) -48.2 -36.1
 &rst     iat =  1715,  1717,  1729,  1731,
   r1 = -49.2, r2 = -48.2, r3 = -36.1, r4 = -35.1,
 &end

# 116 ARG PHI:  (115 VAL C)-(116 ARG N)-(116 ARG CA)-(116 ARG C) -92.0 -32.0
 &rst     iat =  1729,  1731,  1733,  1753,
   r1 = -93.0, r2 = -92.0, r3 = -32.0, r4 = -31.0,
 &end

# 116 ARG PSI:  (116 ARG N)-(116 ARG CA)-(116 ARG C)-(117 GLY N) -70.3 -10.3
 &rst     iat =  1731,  1733,  1753,  1755,
   r1 = -71.3, r2 = -70.3, r3 = -10.3, r4 =  -9.3,
 &end

# 117 GLY PHI:  (116 ARG C)-(117 GLY N)-(117 GLY CA)-(117 GLY C) -69.4 -59.5
 &rst     iat =  1753,  1755,  1757,  1760,
   r1 = -70.4, r2 = -69.4, r3 = -59.5, r4 = -58.5,
 &end

# 117 GLY PSI:  (117 GLY N)-(117 GLY CA)-(117 GLY C)-(118 GLN N) -49.7 -32.7
 &rst     iat =  1755,  1757,  1760,  1762,
   r1 = -50.7, r2 = -49.7, r3 = -32.7, r4 = -31.7,
 &end

# 118 GLN PHI:  (117 GLY C)-(118 GLN N)-(118 GLN CA)-(118 GLN C) -70.0 -61.1
 &rst     iat =  1760,  1762,  1764,  1777,
   r1 = -71.0, r2 = -70.0, r3 = -61.1, r4 = -60.1,
 &end

# 118 GLN PSI:  (118 GLN N)-(118 GLN CA)-(118 GLN C)-(119 VAL N) -47.3 -31.8
 &rst     iat =  1762,  1764,  1777,  1779,
   r1 = -48.3, r2 = -47.3, r3 = -31.8, r4 = -30.8,
 &end

# 119 VAL PHI:  (118 GLN C)-(119 VAL N)-(119 VAL CA)-(119 VAL C) -74.4 -63.6
 &rst     iat =  1777,  1779,  1781,  1793,
   r1 = -75.4, r2 = -74.4, r3 = -63.6, r4 = -62.6,
 &end

# 119 VAL PSI:  (119 VAL N)-(119 VAL CA)-(119 VAL C)-(120 LYS N) -48.0 -30.8
 &rst     iat =  1779,  1781,  1793,  1795,
   r1 = -49.0, r2 = -48.0, r3 = -30.8, r4 = -29.8,
 &end

# 120 LYS PHI:  (119 VAL C)-(120 LYS N)-(120 LYS CA)-(120 LYS C) -72.3 -58.1
 &rst     iat =  1793,  1795,  1797,  1815,
   r1 = -73.3, r2 = -72.3, r3 = -58.1, r4 = -57.1,
 &end

# 120 LYS PSI:  (120 LYS N)-(120 LYS CA)-(120 LYS C)-(121 GLU N) -54.8 -25.6
 &rst     iat =  1795,  1797,  1815,  1817,
   r1 = -55.8, r2 = -54.8, r3 = -25.6, r4 = -24.6,
 &end

# 121 GLU PHI:  (120 LYS C)-(121 GLU N)-(121 GLU CA)-(121 GLU C) -74.3 -59.1
 &rst     iat =  1815,  1817,  1819,  1830,
   r1 = -75.3, r2 = -74.3, r3 = -59.1, r4 = -58.1,
 &end

# 121 GLU PSI:  (121 GLU N)-(121 GLU CA)-(121 GLU C)-(122 ARG N) -43.8 -24.1
 &rst     iat =  1817,  1819,  1830,  1832,
   r1 = -44.8, r2 = -43.8, r3 = -24.1, r4 = -23.1,
 &end

# 122 ARG PHI:  (121 GLU C)-(122 ARG N)-(122 ARG CA)-(122 ARG C) -73.9 -55.3
 &rst     iat =  1830,  1832,  1834,  1854,
   r1 = -74.9, r2 = -73.9, r3 = -55.3, r4 = -54.3,
 &end

# 122 ARG PSI:  (122 ARG N)-(122 ARG CA)-(122 ARG C)-(123 VAL N) -47.1 -30.9
 &rst     iat =  1832,  1834,  1854,  1856,
   r1 = -48.1, r2 = -47.1, r3 = -30.9, r4 = -29.9,
 &end

# 123 VAL PHI:  (122 ARG C)-(123 VAL N)-(123 VAL CA)-(123 VAL C) -76.6 -59.6
 &rst     iat =  1854,  1856,  1858,  1870,
   r1 = -77.6, r2 = -76.6, r3 = -59.6, r4 = -58.6,
 &end

# 123 VAL PSI:  (123 VAL N)-(123 VAL CA)-(123 VAL C)-(124 GLU N) -46.3 -37.4
 &rst     iat =  1856,  1858,  1870,  1872,
   r1 = -47.3, r2 = -46.3, r3 = -37.4, r4 = -36.4,
 &end

# 124 GLU PHI:  (123 VAL C)-(124 GLU N)-(124 GLU CA)-(124 GLU C) -68.5 -59.3
 &rst     iat =  1870,  1872,  1874,  1885,
   r1 = -69.5, r2 = -68.5, r3 = -59.3, r4 = -58.3,
 &end

# 124 GLU PSI:  (124 GLU N)-(124 GLU CA)-(124 GLU C)-(125 ASN N) -43.8 -33.2
 &rst     iat =  1872,  1874,  1885,  1887,
   r1 = -44.8, r2 = -43.8, r3 = -33.2, r4 = -32.2,
 &end

# 125 ASN PHI:  (124 GLU C)-(125 ASN N)-(125 ASN CA)-(125 ASN C) -71.7 -58.4
 &rst     iat =  1885,  1887,  1889,  1899,
   r1 = -72.7, r2 = -71.7, r3 = -58.4, r4 = -57.4,
 &end

# 125 ASN PSI:  (125 ASN N)-(125 ASN CA)-(125 ASN C)-(126 LEU N) -49.9 -24.1
 &rst     iat =  1887,  1889,  1899,  1901,
   r1 = -50.9, r2 = -49.9, r3 = -24.1, r4 = -23.1,
 &end

# 126 LEU PHI:  (125 ASN C)-(126 LEU N)-(126 LEU CA)-(126 LEU C) -73.1 -58.6
 &rst     iat =  1899,  1901,  1903,  1918,
   r1 = -74.1, r2 = -73.1, r3 = -58.6, r4 = -57.6,
 &end

# 126 LEU PSI:  (126 LEU N)-(126 LEU CA)-(126 LEU C)-(127 ILE N) -49.1 -34.5
 &rst     iat =  1901,  1903,  1918,  1920,
   r1 = -50.1, r2 = -49.1, r3 = -34.5, r4 = -33.5,
 &end

# 127 ILE PHI:  (126 LEU C)-(127 ILE N)-(127 ILE CA)-(127 ILE C) -69.9 -58.7
 &rst     iat =  1918,  1920,  1922,  1937,
   r1 = -70.9, r2 = -69.9, r3 = -58.7, r4 = -57.7,
 &end

# 127 ILE PSI:  (127 ILE N)-(127 ILE CA)-(127 ILE C)-(128 ALA N) -48.6 -34.7
 &rst     iat =  1920,  1922,  1937,  1939,
   r1 = -49.6, r2 = -48.6, r3 = -34.7, r4 = -33.7,
 &end

# 128 ALA PHI:  (127 ILE C)-(128 ALA N)-(128 ALA CA)-(128 ALA C) -76.4 -58.4
 &rst     iat =  1937,  1939,  1941,  1947,
   r1 = -77.4, r2 = -76.4, r3 = -58.4, r4 = -57.4,
 &end

# 128 ALA PSI:  (128 ALA N)-(128 ALA CA)-(128 ALA C)-(129 LYS N) -43.4 -17.9
 &rst     iat =  1939,  1941,  1947,  1949,
   r1 = -44.4, r2 = -43.4, r3 = -17.9, r4 = -16.9,
 &end

#
#    0 AMB  26-2:1       99 TRP  HZ3         3.50    (#      1:26  Single Ambig)
 &rst
  ixpk= 1, nxpk= 26, iat=  -1,1477, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,

      rk2=20.0, rk3=20.0, ir6=1, ialtd=1,
 igr1=1786,1787,1788,1790,1791,1792,1911,1912,1913,1915,
      1916,1917,
 &end
#
#   87 PRO  HG-          90 TRP  HD1         3.50    (#      2:26  Unique         2.21, 3.12 A)
 &rst
  ixpk= 2, nxpk= 26, iat=  -1,1316, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1269,1270,
 &end
#
#    0 AMB  26-2:3       99 TRP  HD1         3.50    (#      3:26  Single Ambig)
 &rst
  ixpk= 3, nxpk= 26, iat=  -1,1468, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1437,1438,1440,1441,
 &end
#
#    5 MET  ME            0 AMB  26-1:4      3.50    (#      4:26  Single Ambig)
 &rst
  ixpk= 4, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=  92,  93,  94,
 igr2=1008,1012,1323,
 &end
#
#  123 VAL  MGY          99 TRP  HH2         3.50    (#      6:26  Unique         3.30, 4.65 A)
 &rst
  ixpk= 6, nxpk= 26, iat=  -1,1475, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1863,1864,1865,1867,1868,1869,
 &end
#
#  126 LEU  MDX          99 TRP  HH2         3.50    (#      7:26  Unique         2.26, 3.60 A)
 &rst
  ixpk= 7, nxpk= 26, iat=  -1,1475, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1911,1912,1913,1915,1916,1917,
 &end
#
#  126 LEU  HB-          99 TRP  HZ2         3.50    (#      8:26  Unique         2.06, 2.36 A)
 &rst
  ixpk= 8, nxpk= 26, iat=  -1,1473, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1906,1907,
 &end
#
#  126 LEU  MDX          99 TRP  HZ2         2.80    (#      9:26  Unique         2.84, 4.28 A)
 &rst
  ixpk= 9, nxpk= 26, iat=  -1,1473, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1911,1912,1913,1915,1916,1917,
 &end
#
#    6 PHE  HA            6 PHE  HD          5.50    (#     10:26  Unique         2.13, 3.45 A)
 &rst
  ixpk= 10, nxpk= 26, iat= 100,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 106, 114,
 &end
#
#   15 SER  HA            6 PHE  HD          4.50    (#     11:26  Unique         2.91, 5.09 A)
 &rst
  ixpk= 11, nxpk= 26, iat= 253,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 106, 114,
 &end
#
#    0 AMB  26-2:13       6 PHE  HD          4.50    (#     13:26  Single Ambig)
 &rst
  ixpk= 13, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 352, 353, 354,  85,  86,
 igr2= 106, 114,
 &end
#
#   77 ILE  HB            6 PHE  HD          4.50    (#     14:26  Unique         2.10, 3.91 A)
 &rst
  ixpk= 14, nxpk= 26, iat=1135,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 106, 114,
 &end
#
#   32 VAL  MGX           6 PHE  HD          4.50    (#     15:26  Unique         2.40, 6.55 A)
 &rst
  ixpk= 15, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 494, 495, 496, 498, 499, 500,
 igr2= 106, 114,
 &end
#
#   32 VAL  MGY           6 PHE  HD          5.50    (#     16:26  Unique         2.40, 6.55 A)
 &rst
  ixpk= 16, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 494, 495, 496, 498, 499, 500,
 igr2= 106, 114,
 &end
#
#    0 AMB  26-2:17       6 PHE  HD          4.50    (#     17:26  Single Ambig)
 &rst
  ixpk= 17, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 300, 301, 302,1141,1142,
 igr2= 106, 114,
 &end
#
#   77 ILE  QG2           6 PHE  HD          4.50    (#     18:26  Unique         2.42, 5.19 A)
 &rst
  ixpk= 18, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1137,1138,1139,
 igr2= 106, 114,
 &end
#
#   21 PHE  HN           21 PHE  HD          5.50    (#     19:26  Unique         3.42, 3.80 A)
 &rst
  ixpk= 19, nxpk= 26, iat= 328,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 336, 344,
 &end
#
#   21 PHE  HA           21 PHE  HD          4.50    (#     20:26  Unique         2.02, 3.38 A)
 &rst
  ixpk= 20, nxpk= 26, iat= 330,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 336, 344,
 &end
#
#   76 VAL  HB           96 PHE  HD          4.50    (#     23:26  Unique         2.29, 4.54 A)
 &rst
  ixpk= 23, nxpk= 26, iat=1119,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1421,1429,
 &end
#
#   55 ILE  QD1          21 PHE  HD          4.50    (#     25:26  Unique         2.32, 4.48 A)
 &rst
  ixpk= 25, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 827, 828, 829,
 igr2= 336, 344,
 &end
#
#   43 HIS  HB+          43 HIS  HD2         4.50    (#     28:26  Unique         2.34, 3.13 A)
 &rst
  ixpk= 28, nxpk= 26, iat=  -1, 656, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 647, 648,
 &end
#
#   43 HIS  HB-          43 HIS  HD2         4.50    (#     29:26  Unique         2.34, 3.13 A)
 &rst
  ixpk= 29, nxpk= 26, iat=  -1, 656, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 647, 648,
 &end
#
#   68 PHE  HB+          68 PHE  HD          4.50    (#     30:26  Unique         2.36, 3.09 A)
 &rst
  ixpk= 30, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1002,1003,
 igr2=1006,1014,
 &end
#
#   68 PHE  HB-          68 PHE  HD          4.50    (#     31:26  Unique         2.36, 3.09 A)
 &rst
  ixpk= 31, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1002,1003,
 igr2=1006,1014,
 &end
#
#   65 ILE  HA           68 PHE  HD          3.50    (#     32:26  Unique         2.40, 4.54 A)
 &rst
  ixpk= 32, nxpk= 26, iat= 952,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1006,1014,
 &end
#
#    0 AMB  26-2:33      68 PHE  HD          5.50    (#     33:26  Single Ambig)
 &rst
  ixpk= 33, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 533, 534, 988, 989,
 igr2=1006,1014,
 &end
#
#    5 MET  ME           68 PHE  HD          4.50    (#     35:26  Unique         2.55, 4.32 A)
 &rst
  ixpk= 35, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=  92,  93,  94,
 igr2=1006,1014,
 &end
#
#   68 PHE  HA           68 PHE  HD          4.50    (#     36:26  Unique         2.43, 3.40 A)
 &rst
  ixpk= 36, nxpk= 26, iat=1000,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1006,1014,
 &end
#
#   68 PHE  HN           68 PHE  HD          5.50    (#     37:26  Unique         2.48, 3.98 A)
 &rst
  ixpk= 37, nxpk= 26, iat= 998,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1006,1014,
 &end
#
#   90 TRP  HE1          90 TRP  HD1         3.50    (#     38:26  Unique         2.56, 2.57 A)
 &rst
  ixpk= 38, nxpk= 26, iat=1318,1316, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   90 TRP  HN           90 TRP  HD1         5.50    (#     39:26  Unique         2.06, 2.27 A)
 &rst
  ixpk= 39, nxpk= 26, iat=1308,1316, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   87 PRO  HD+          90 TRP  HD1         5.50    (#     40:26  Unique         2.55, 3.46 A)
 &rst
  ixpk= 40, nxpk= 26, iat=  -1,1316, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1266,1267,
 &end
#
#    0 AMB  26-2:41      90 TRP  HD1         4.50    (#     41:26  Single Ambig)
 &rst
  ixpk= 41, nxpk= 26, iat=  -1,1316, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1266,1267,1312,1313,
 &end
#
#   90 TRP  HB-          90 TRP  HD1         4.50    (#     42:26  Unique         2.70, 3.31 A)
 &rst
  ixpk= 42, nxpk= 26, iat=  -1,1316, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1312,1313,
 &end
#
#   87 PRO  HB+          90 TRP  HD1         4.50    (#     43:26  Unique         2.29, 4.05 A)
 &rst
  ixpk= 43, nxpk= 26, iat=  -1,1316, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1272,1273,
 &end
#
#    0 AMB  26-2:44     112 PHE  HD          5.50    (#     44:26  Single Ambig)
 &rst
  ixpk= 44, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 727,1678,
 igr2=1666,1674,
 &end
#
#  112 PHE  HN          112 PHE  HD          4.50    (#     45:26  Unique         2.03, 3.70 A)
 &rst
  ixpk= 45, nxpk= 26, iat=1658,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1666,1674,
 &end
#
#  109 LEU  HA          112 PHE  HD          3.50    (#     46:26  Unique         2.74, 4.27 A)
 &rst
  ixpk= 46, nxpk= 26, iat=1610,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1666,1674,
 &end
#
#  112 PHE  HB+         112 PHE  HD          3.50    (#     47:26  Unique         2.28, 3.08 A)
 &rst
  ixpk= 47, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1662,1663,
 igr2=1666,1674,
 &end
#
#  112 PHE  HB-         112 PHE  HD          3.50    (#     48:26  Unique         2.28, 3.08 A)
 &rst
  ixpk= 48, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1662,1663,
 igr2=1666,1674,
 &end
#
#   49 MET  HG+         112 PHE  HD          4.50    (#     49:26  Unique         2.16, 4.34 A)
 &rst
  ixpk= 49, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 734, 735,
 igr2=1666,1674,
 &end
#
#    0 AMB  26-2:50     112 PHE  HD          4.50    (#     50:26  Single Ambig)
 &rst
  ixpk= 50, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1587,1588, 731, 732,
 igr2=1666,1674,
 &end
#
#    0 AMB  26-2:51     112 PHE  HD          3.50    (#     51:26  Single Ambig)
 &rst
  ixpk= 51, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.14, r4= 5.89,
 igr1= 680, 681, 682,1554,1555,
 igr2=1666,1674,
 &end
#
#   86 LEU  HA           90 TRP  HD1         5.50    (#     52:26  Unique         4.31, 4.65 A)
 &rst
  ixpk= 52, nxpk= 26, iat=1248,1316, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   91 VAL  HA           96 PHE  HD          4.50    (#     53:26  Unique         2.62, 4.18 A)
 &rst
  ixpk= 53, nxpk= 26, iat=1334,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1421,1429,
 &end
#
#   78 SER  HB+          96 PHE  HD          5.50    (#     54:26  Unique         3.72, 6.46 A)
 &rst
  ixpk= 54, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1154,1155,
 igr2=1421,1429,
 &end
#
#   98 ASP  HA           96 PHE  HD          5.50    (#     57:26  Unique         5.14, 6.94 A)
 &rst
  ixpk= 57, nxpk= 26, iat=1450,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1421,1429,
 &end
#
#    0 AMB  26-2:59      96 PHE  HD          5.50    (#     59:26  Single Ambig)
 &rst
  ixpk= 59, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1115,1448,
 igr2=1421,1429,
 &end
#
#    0 AMB  26-2:63      96 PHE  HE          5.50    (#     63:26  Single Ambig)
 &rst
  ixpk= 63, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1198,1115,
 igr2=1423,1427,
 &end
#
#   97 GLU  HN           96 PHE  HE          4.50    (#     64:26  Unique         3.77, 5.18 A)
 &rst
  ixpk= 64, nxpk= 26, iat=1433,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1423,1427,
 &end
#
#   96 PHE  HD           96 PHE  HE          3.50    (#     65:26  Unique         2.39, 3.72 A)
 &rst
  ixpk= 65, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1421,1429,
 igr2=1423,1427,
 &end
#
#   96 PHE  HB+          96 PHE  HE          5.50    (#     66:26  Unique         4.66, 5.12 A)
 &rst
  ixpk= 66, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1417,1418,
 igr2=1423,1427,
 &end
#
#   96 PHE  HB-          96 PHE  HE          5.50    (#     67:26  Unique         4.66, 5.12 A)
 &rst
  ixpk= 67, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1417,1418,
 igr2=1423,1427,
 &end
#
#  116 ARG  HD+          21 PHE  HD          5.50    (#     70:26  Unique         6.06, 7.21 A)
 &rst
  ixpk= 70, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1742,1743,
 igr2= 336, 344,
 &end
#
#  112 PHE  HA          112 PHE  HD          3.50    (#     71:26  Unique         2.77, 3.51 A)
 &rst
  ixpk= 71, nxpk= 26, iat=1660,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1666,1674,
 &end
#
#    0 AMB  26-2:72      73 TYR  HE          3.50    (#     72:26  Single Ambig)
 &rst
  ixpk= 72, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.14, r4= 5.89,
 igr1= 510, 511, 512,  85,  86,
 igr2=1076,1081,
 &end
#
#   70 ALA  HA           73 TYR  HE          4.50    (#     74:26  Unique         3.31, 4.80 A)
 &rst
  ixpk= 74, nxpk= 26, iat=1034,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1076,1081,
 &end
#
#   72 ASP  HB-          73 TYR  HE          4.50    (#     75:26  Unique         2.57, 5.21 A)
 &rst
  ixpk= 75, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1058,1059,
 igr2=1076,1081,
 &end
#
#    3 LYS  HE+          73 TYR  HE          4.50    (#     76:26  Unique         2.73, 4.28 A)
 &rst
  ixpk= 76, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=  56,  57,
 igr2=1076,1081,
 &end
#
#   71 ASP  HN           73 TYR  HE          5.50    (#     78:26  Unique         5.54, 7.37 A)
 &rst
  ixpk= 78, nxpk= 26, iat=1042,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1076,1081,
 &end
#
#   22 ALA  MB           99 TRP  HZ3         4.50    (#     79:26  Unique         4.70, 5.75 A)
 &rst
  ixpk= 79, nxpk= 26, iat=  -1,1477, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 352, 353, 354,
 &end
#
#  123 VAL  MGY          99 TRP  HZ3         4.50    (#     80:26  Unique         2.15, 3.94 A)
 &rst
  ixpk= 80, nxpk= 26, iat=  -1,1477, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1863,1864,1865,1867,1868,1869,
 &end
#
#  127 ILE  QD1          99 TRP  HZ3         5.50    (#     81:26  Unique         6.14, 7.22 A)
 &rst
  ixpk= 81, nxpk= 26, iat=  -1,1477, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1934,1935,1936,
 &end
#
#   97 GLU  HB+          99 TRP  HD1         5.50    (#     82:26  Unique         2.91, 3.93 A)
 &rst
  ixpk= 82, nxpk= 26, iat=  -1,1468, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1437,1438,
 &end
#
#   99 TRP  HA           99 TRP  HD1         3.50    (#     83:26  Unique         2.31, 2.40 A)
 &rst
  ixpk= 83, nxpk= 26, iat=1462,1468, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   99 TRP  HE1          99 TRP  HD1         3.50    (#     84:26  Unique         2.52, 2.54 A)
 &rst
  ixpk= 84, nxpk= 26, iat=1470,1468, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   68 PHE  HB-          90 TRP  HH2         4.50    (#     85:26  Unique         2.82, 3.54 A)
 &rst
  ixpk= 85, nxpk= 26, iat=  -1,1323, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1002,1003,
 &end
#
#   68 PHE  HB+          90 TRP  HH2         4.50    (#     86:26  Unique         2.82, 3.54 A)
 &rst
  ixpk= 86, nxpk= 26, iat=  -1,1323, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1002,1003,
 &end
#
#   90 TRP  HZ3          90 TRP  HH2         2.80    (#     87:26  Unique         2.50, 2.53 A)
 &rst
  ixpk= 87, nxpk= 26, iat=1325,1323, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  26-2:90       0 AMB  26-1:90     2.80    (#     90:26  Double Ambig)
 &rst
  ixpk= 90, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1=1006,1014,1321,
 igr2=1008,1012,1323,
 &end
#
#  123 VAL  HA           99 TRP  HH2         3.50    (#     94:26  Unique         2.06, 2.13 A)
 &rst
  ixpk= 94, nxpk= 26, iat=1859,1475, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   99 TRP  HZ2          99 TRP  HH2         3.50    (#     95:26  Unique         2.46, 2.48 A)
 &rst
  ixpk= 95, nxpk= 26, iat=1473,1475, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   70 ALA  HN           90 TRP  HZ2         4.50    (#     96:26  Unique         3.33, 3.63 A)
 &rst
  ixpk= 96, nxpk= 26, iat=1032,1321, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   90 TRP  HE1          90 TRP  HZ2         4.50    (#     97:26  Unique         2.85, 2.87 A)
 &rst
  ixpk= 97, nxpk= 26, iat=1318,1321, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   99 TRP  HE1          99 TRP  HZ2         4.50    (#     98:26  Unique         2.87, 2.91 A)
 &rst
  ixpk= 98, nxpk= 26, iat=1470,1473, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   99 TRP  HH2          99 TRP  HZ2         2.80    (#    100:26  Unique         2.46, 2.48 A)
 &rst
  ixpk= 100, nxpk= 26, iat=1475,1473, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  26-2:101     99 TRP  HZ2         5.50    (#    101:26  Single Ambig)
 &rst
  ixpk= 101, nxpk= 26, iat=  -1,1473, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1464,1465,1923,
 &end
#
#  126 LEU  HB+          99 TRP  HZ2         4.50    (#    102:26  Unique         2.06, 2.36 A)
 &rst
  ixpk= 102, nxpk= 26, iat=  -1,1473, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1906,1907,
 &end
#
#   68 PHE  HB-          90 TRP  HZ2         4.50    (#    103:26  Unique         2.28, 3.04 A)
 &rst
  ixpk= 103, nxpk= 26, iat=  -1,1321, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1002,1003,
 &end
#
#  126 LEU  MDY          99 TRP  HZ2         4.50    (#    104:26  Unique         2.84, 4.28 A)
 &rst
  ixpk= 104, nxpk= 26, iat=  -1,1473, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1911,1912,1913,1915,1916,1917,
 &end
#
#   77 ILE  QD1          99 TRP  HZ2         5.50    (#    106:26  Unique         2.37, 3.21 A)
 &rst
  ixpk= 106, nxpk= 26, iat=  -1,1473, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1144,1145,1146,
 &end
#
#   18 ALA  MB           99 TRP  HZ3         5.50    (#    107:26  Unique         2.36, 3.54 A)
 &rst
  ixpk= 107, nxpk= 26, iat=  -1,1477, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 300, 301, 302,
 &end
#
#   97 GLU  HG+          99 TRP  HD1         4.50    (#    109:26  Unique         3.02, 4.99 A)
 &rst
  ixpk= 109, nxpk= 26, iat=  -1,1468, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1440,1441,
 &end
#
#   99 TRP  HB+          99 TRP  HD1         5.50    (#    110:26  Unique         3.31, 3.63 A)
 &rst
  ixpk= 110, nxpk= 26, iat=  -1,1468, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1464,1465,
 &end
#
#   79 LEU  MDX           6 PHE  HD          4.50    (#    111:26  Unique         2.31, 6.17 A)
 &rst
  ixpk= 111, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1170,1171,1172,1174,1175,1176,
 igr2= 106, 114,
 &end
#
#   87 PRO  HB-          90 TRP  HD1         3.50    (#    113:26  Unique         2.29, 4.05 A)
 &rst
  ixpk= 113, nxpk= 26, iat=  -1,1316, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1272,1273,
 &end
#
#   55 ILE  QD1          21 PHE  HE          5.50    (#    115:26  Unique         2.36, 4.73 A)
 &rst
  ixpk= 115, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 827, 828, 829,
 igr2= 338, 342,
 &end
#
#   53 VAL  MGX          21 PHE  HE          4.50    (#    116:26  Unique         2.34, 5.43 A)
 &rst
  ixpk= 116, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 797, 798, 799, 801, 802, 803,
 igr2= 338, 342,
 &end
#
#  120 LYS  HD-          21 PHE  HE          5.50    (#    117:26  Unique         3.04, 4.43 A)
 &rst
  ixpk= 117, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1806,1807,
 igr2= 338, 342,
 &end
#
#   21 PHE  HD           21 PHE  HE          4.50    (#    118:26  Unique         2.41, 3.71 A)
 &rst
  ixpk= 118, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 336, 344,
 igr2= 338, 342,
 &end
#
#   24 THR  HB           21 PHE  HD          4.50    (#    126:26  Unique         3.44, 5.25 A)
 &rst
  ixpk= 126, nxpk= 26, iat= 384,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 336, 344,
 &end
#
#   21 PHE  HB+          21 PHE  HD          5.50    (#    127:26  Unique         2.36, 3.12 A)
 &rst
  ixpk= 127, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 332, 333,
 igr2= 336, 344,
 &end
#
#   21 PHE  HE           21 PHE  HD          2.80    (#    128:26  Unique         2.41, 3.71 A)
 &rst
  ixpk= 128, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 338, 342,
 igr2= 336, 344,
 &end
#
#   70 ALA  HA           90 TRP  HH2         5.50    (#    129:26  Unique         4.53, 4.68 A)
 &rst
  ixpk= 129, nxpk= 26, iat=1034,1323, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   90 TRP  HE3          90 TRP  HZ3         5.50    (#    130:26  Unique         2.44, 2.47 A)
 &rst
  ixpk= 130, nxpk= 26, iat=1327,1325, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   17 MET  ME           21 PHE  HD          3.50    (#    136:26  Unique         3.24, 4.60 A)
 &rst
  ixpk= 136, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 290, 291, 292,
 igr2= 336, 344,
 &end
#
#   91 VAL  MGX          96 PHE  HD          4.50    (#    137:26  Unique         2.32, 6.16 A)
 &rst
  ixpk= 137, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1338,1339,1340,1342,1343,1344,
 igr2=1421,1429,
 &end
#
#   76 VAL  MGY          96 PHE  HD          3.50    (#    138:26  Unique         2.12, 5.66 A)
 &rst
  ixpk= 138, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1121,1122,1123,1125,1126,1127,
 igr2=1421,1429,
 &end
#
#   99 TRP  HN           99 TRP  HD1         5.50    (#    139:26  Unique         3.30, 3.73 A)
 &rst
  ixpk= 139, nxpk= 26, iat=1460,1468, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &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:  CD NZ HE2 HE3
 &rst iat=30,36,34,35, &end
#
#  chirality for residue 2 atoms:  CG CE HD2 HD3
 &rst iat=27,33,31,32, &end
#
#  chirality for residue 2 atoms:  N C HA CB
 &rst iat=20,40,23,24, &end
#
#  chirality for residue 3 atoms:  CA CG HB2 HB3
 &rst iat=44,49,47,48, &end
#
#  chirality for residue 3 atoms:  CB CD HG2 HG3
 &rst iat=46,52,50,51, &end
#
#  chirality for residue 3 atoms:  CD NZ HE2 HE3
 &rst iat=52,58,56,57, &end
#
#  chirality for residue 3 atoms:  CG CE HD2 HD3
 &rst iat=49,55,53,54, &end
#
#  chirality for residue 3 atoms:  N C HA CB
 &rst iat=42,62,45,46, &end
#
#  chirality for residue 4 atoms:  CA CG1 CG2 HB
 &rst iat=66,70,74,69, &end
#
#  chirality for residue 4 atoms:  N C HA CB
 &rst iat=64,78,67,68, &end
#
#  chirality for residue 5 atoms:  CA CG HB2 HB3
 &rst iat=82,87,85,86, &end
#
#  chirality for residue 5 atoms:  CB SD HG2 HG3
 &rst iat=84,90,88,89, &end
#
#  chirality for residue 5 atoms:  N C HA CB
 &rst iat=80,95,83,84, &end
#
#  chirality for residue 6 atoms:  CA CG HB2 HB3
 &rst iat=99,104,102,103, &end
#
#  chirality for residue 6 atoms:  N C HA CB
 &rst iat=97,115,100,101, &end
#
#  chirality for residue 7 atoms:  CA CG1 CG2 HB
 &rst iat=119,123,127,122, &end
#
#  chirality for residue 7 atoms:  N C HA CB
 &rst iat=117,131,120,121, &end
#
#  chirality for residue 8 atoms:  CA SG HB2 HB3
 &rst iat=135,140,138,139, &end
#
#  chirality for residue 8 atoms:  N C HA CB
 &rst iat=133,142,136,137, &end
#
#  chirality for residue 9 atoms:  CA CG HB2 HB3
 &rst iat=146,151,149,150, &end
#
#  chirality for residue 9 atoms:  CB CD HG2 HG3
 &rst iat=148,154,152,153, &end
#
#  chirality for residue 9 atoms:  CD NZ HE2 HE3
 &rst iat=154,160,158,159, &end
#
#  chirality for residue 9 atoms:  CG CE HD2 HD3
 &rst iat=151,157,155,156, &end
#
#  chirality for residue 9 atoms:  N C HA CB
 &rst iat=144,164,147,148, &end
#
#  chirality for residue 10 atoms:  CA CG HB2 HB3
 &rst iat=168,173,171,172, &end
#
#  chirality for residue 10 atoms:  CB CD HG2 HG3
 &rst iat=170,176,174,175, &end
#
#  chirality for residue 10 atoms:  CG NE HD2 HD3
 &rst iat=173,179,177,178, &end
#
#  chirality for residue 10 atoms:  N C HA CB
 &rst iat=166,188,169,170, &end
#
#  chirality for residue 11 atoms:  CA CG HB2 HB3
 &rst iat=192,197,195,196, &end
#
#  chirality for residue 11 atoms:  N C HA CB
 &rst iat=190,202,193,194, &end
#
#  chirality for residue 12 atoms:  CA OG HB2 HB3
 &rst iat=206,211,209,210, &end
#
#  chirality for residue 12 atoms:  N C HA CB
 &rst iat=204,213,207,208, &end
#
#  chirality for residue 13 atoms:  CA SG HB2 HB3
 &rst iat=217,222,220,221, &end
#
#  chirality for residue 13 atoms:  N C HA CB
 &rst iat=215,224,218,219, &end
#
#  chirality for residue 14 atoms:  CA CG HB2 HB3
 &rst iat=228,233,231,232, &end
#
#  chirality for residue 14 atoms:  CB CD HG2 HG3
 &rst iat=230,236,234,235, &end
#
#  chirality for residue 14 atoms:  CG NE HD2 HD3
 &rst iat=233,239,237,238, &end
#
#  chirality for residue 14 atoms:  N C HA CB
 &rst iat=226,248,229,230, &end
#
#  chirality for residue 15 atoms:  CA OG HB2 HB3
 &rst iat=252,257,255,256, &end
#
#  chirality for residue 15 atoms:  N C HA CB
 &rst iat=250,259,253,254, &end
#
#  chirality for residue 16 atoms:  CA CG HB2 HB3
 &rst iat=263,268,266,267, &end
#
#  chirality for residue 16 atoms:  CB CD HG2 HG3
 &rst iat=265,271,269,270, &end
#
#  chirality for residue 16 atoms:  N C HA CB
 &rst iat=261,276,264,265, &end
#
#  chirality for residue 17 atoms:  CA CG HB2 HB3
 &rst iat=280,285,283,284, &end
#
#  chirality for residue 17 atoms:  CB SD HG2 HG3
 &rst iat=282,288,286,287, &end
#
#  chirality for residue 17 atoms:  N C HA CB
 &rst iat=278,293,281,282, &end
#
#  chirality for residue 18 atoms:  N C HA CB
 &rst iat=295,303,298,299, &end
#
#  chirality for residue 19 atoms:  CA CG HB2 HB3
 &rst iat=307,312,310,311, &end
#
#  chirality for residue 19 atoms:  CB CD HG2 HG3
 &rst iat=309,315,313,314, &end
#
#  chirality for residue 19 atoms:  N C HA CB
 &rst iat=305,318,308,309, &end
#
#  chirality for residue 20 atoms:  N C HA2 HA3
 &rst iat=320,325,323,324, &end
#
#  chirality for residue 21 atoms:  CA CG HB2 HB3
 &rst iat=329,334,332,333, &end
#
#  chirality for residue 21 atoms:  N C HA CB
 &rst iat=327,345,330,331, &end
#
#  chirality for residue 22 atoms:  N C HA CB
 &rst iat=347,355,350,351, &end
#
#  chirality for residue 23 atoms:  CA CG HB2 HB3
 &rst iat=359,364,362,363, &end
#
#  chirality for residue 23 atoms:  CB CD HG2 HG3
 &rst iat=361,367,365,366, &end
#
#  chirality for residue 23 atoms:  CD NZ HE2 HE3
 &rst iat=367,373,371,372, &end
#
#  chirality for residue 23 atoms:  CG CE HD2 HD3
 &rst iat=364,370,368,369, &end
#
#  chirality for residue 23 atoms:  N C HA CB
 &rst iat=357,377,360,361, &end
#
#  chirality for residue 24 atoms:  CA CG2 OG1 HB
 &rst iat=381,385,389,384, &end
#
#  chirality for residue 24 atoms:  N C HA CB
 &rst iat=379,391,382,383, &end
#
#  chirality for residue 25 atoms:  CA CG HB2 HB3
 &rst iat=395,400,398,399, &end
#
#  chirality for residue 25 atoms:  CB CD1 CD2 HG
 &rst iat=397,402,406,401, &end
#
#  chirality for residue 25 atoms:  N C HA CB
 &rst iat=393,410,396,397, &end
#
#  chirality for residue 26 atoms:  N C HA2 HA3
 &rst iat=412,417,415,416, &end
#
#  chirality for residue 27 atoms:  N C HA CB
 &rst iat=419,427,422,423, &end
#
#  chirality for residue 28 atoms:  N C HA2 HA3
 &rst iat=429,434,432,433, &end
#
#  chirality for residue 29 atoms:  CA CG HB2 HB3
 &rst iat=438,443,441,442, &end
#
#  chirality for residue 29 atoms:  CB CD HG2 HG3
 &rst iat=440,446,444,445, &end
#
#  chirality for residue 29 atoms:  CD NZ HE2 HE3
 &rst iat=446,452,450,451, &end
#
#  chirality for residue 29 atoms:  CG CE HD2 HD3
 &rst iat=443,449,447,448, &end
#
#  chirality for residue 29 atoms:  N C HA CB
 &rst iat=436,456,439,440, &end
#
#  chirality for residue 30 atoms:  CA CG2 CG1 HB
 &rst iat=460,464,468,463, &end
#
#  chirality for residue 30 atoms:  CB CD1 HG12 HG13
 &rst iat=462,471,469,470, &end
#
#  chirality for residue 30 atoms:  N C HA CB
 &rst iat=458,475,461,462, &end
#
#  chirality for residue 31 atoms:  N C HA CB
 &rst iat=477,485,480,481, &end
#
#  chirality for residue 32 atoms:  CA CG1 CG2 HB
 &rst iat=489,493,497,492, &end
#
#  chirality for residue 32 atoms:  N C HA CB
 &rst iat=487,501,490,491, &end
#
#  chirality for residue 33 atoms:  CA CG2 OG1 HB
 &rst iat=505,509,513,508, &end
#
#  chirality for residue 33 atoms:  N C HA CB
 &rst iat=503,515,506,507, &end
#
#  chirality for residue 34 atoms:  CA OG HB2 HB3
 &rst iat=519,524,522,523, &end
#
#  chirality for residue 34 atoms:  N C HA CB
 &rst iat=517,526,520,521, &end
#
#  chirality for residue 35 atoms:  CA SG HB2 HB3
 &rst iat=530,535,533,534, &end
#
#  chirality for residue 35 atoms:  N C HA CB
 &rst iat=528,537,531,532, &end
#
#  chirality for residue 36 atoms:  N C HA2 HA3
 &rst iat=539,544,542,543, &end
#
#  chirality for residue 37 atoms:  CA CG HB2 HB3
 &rst iat=548,553,551,552, &end
#
#  chirality for residue 37 atoms:  CB CD1 CD2 HG
 &rst iat=550,555,559,554, &end
#
#  chirality for residue 37 atoms:  N C HA CB
 &rst iat=546,563,549,550, &end
#
#  chirality for residue 38 atoms:  CA CG HB2 HB3
 &rst iat=567,572,570,571, &end
#
#  chirality for residue 38 atoms:  CB CD HG2 HG3
 &rst iat=569,575,573,574, &end
#
#  chirality for residue 38 atoms:  N C HA CB
 &rst iat=565,578,568,569, &end
#
#  chirality for residue 39 atoms:  CA OG HB2 HB3
 &rst iat=582,587,585,586, &end
#
#  chirality for residue 39 atoms:  N C HA CB
 &rst iat=580,589,583,584, &end
#
#  chirality for residue 40 atoms:  CA OG HB2 HB3
 &rst iat=593,598,596,597, &end
#
#  chirality for residue 40 atoms:  N C HA CB
 &rst iat=591,600,594,595, &end
#
#  chirality for residue 41 atoms:  CA CG HB2 HB3
 &rst iat=604,609,607,608, &end
#
#  chirality for residue 41 atoms:  CB CD HG2 HG3
 &rst iat=606,612,610,611, &end
#
#  chirality for residue 41 atoms:  CG NE HD2 HD3
 &rst iat=609,615,613,614, &end
#
#  chirality for residue 41 atoms:  N C HA CB
 &rst iat=602,624,605,606, &end
#
#  chirality for residue 42 atoms:  CA CG1 CG2 HB
 &rst iat=628,632,636,631, &end
#
#  chirality for residue 42 atoms:  N C HA CB
 &rst iat=626,640,629,630, &end
#
#  chirality for residue 43 atoms:  CA CG HB2 HB3
 &rst iat=644,649,647,648, &end
#
#  chirality for residue 43 atoms:  N C HA CB
 &rst iat=642,657,645,646, &end
#
#  chirality for residue 44 atoms:  CA CG HB2 HB3
 &rst iat=669,663,667,668, &end
#
#  chirality for residue 44 atoms:  CB CD HG2 HG3
 &rst iat=666,660,664,665, &end
#
#  chirality for residue 44 atoms:  CG N HD2 HD3
 &rst iat=663,659,661,662, &end
#
#  chirality for residue 44 atoms:  N C HA CB
 &rst iat=659,671,670,666, &end
#
#  chirality for residue 45 atoms:  CA CG2 OG1 HB
 &rst iat=675,679,683,678, &end
#
#  chirality for residue 45 atoms:  N C HA CB
 &rst iat=673,685,676,677, &end
#
#  chirality for residue 46 atoms:  N C HA CB
 &rst iat=687,695,690,691, &end
#
#  chirality for residue 47 atoms:  CA CG2 CG1 HB
 &rst iat=699,703,707,702, &end
#
#  chirality for residue 47 atoms:  CB CD1 HG12 HG13
 &rst iat=701,710,708,709, &end
#
#  chirality for residue 47 atoms:  N C HA CB
 &rst iat=697,714,700,701, &end
#
#  chirality for residue 48 atoms:  N C HA CB
 &rst iat=716,724,719,720, &end
#
#  chirality for residue 49 atoms:  CA CG HB2 HB3
 &rst iat=728,733,731,732, &end
#
#  chirality for residue 49 atoms:  CB SD HG2 HG3
 &rst iat=730,736,734,735, &end
#
#  chirality for residue 49 atoms:  N C HA CB
 &rst iat=726,741,729,730, &end
#
#  chirality for residue 50 atoms:  CA CG HB2 HB3
 &rst iat=745,750,748,749, &end
#
#  chirality for residue 50 atoms:  CB SD HG2 HG3
 &rst iat=747,753,751,752, &end
#
#  chirality for residue 50 atoms:  N C HA CB
 &rst iat=743,758,746,747, &end
#
#  chirality for residue 51 atoms:  CA CG HB2 HB3
 &rst iat=762,767,765,766, &end
#
#  chirality for residue 51 atoms:  CB CD HG2 HG3
 &rst iat=764,770,768,769, &end
#
#  chirality for residue 51 atoms:  N C HA CB
 &rst iat=760,773,763,764, &end
#
#  chirality for residue 52 atoms:  CA CG HB2 HB3
 &rst iat=777,782,780,781, &end
#
#  chirality for residue 52 atoms:  CB CD HG2 HG3
 &rst iat=779,785,783,784, &end
#
#  chirality for residue 52 atoms:  N C HA CB
 &rst iat=775,788,778,779, &end
#
#  chirality for residue 53 atoms:  CA CG1 CG2 HB
 &rst iat=792,796,800,795, &end
#
#  chirality for residue 53 atoms:  N C HA CB
 &rst iat=790,804,793,794, &end
#
#  chirality for residue 54 atoms:  N C HA2 HA3
 &rst iat=806,811,809,810, &end
#
#  chirality for residue 55 atoms:  CA CG2 CG1 HB
 &rst iat=815,819,823,818, &end
#
#  chirality for residue 55 atoms:  CB CD1 HG12 HG13
 &rst iat=817,826,824,825, &end
#
#  chirality for residue 55 atoms:  N C HA CB
 &rst iat=813,830,816,817, &end
#
#  chirality for residue 56 atoms:  CA CG HB2 HB3
 &rst iat=834,839,837,838, &end
#
#  chirality for residue 56 atoms:  N C HA CB
 &rst iat=832,842,835,836, &end
#
#  chirality for residue 57 atoms:  CA CG2 CG1 HB
 &rst iat=846,850,854,849, &end
#
#  chirality for residue 57 atoms:  CB CD1 HG12 HG13
 &rst iat=848,857,855,856, &end
#
#  chirality for residue 57 atoms:  N C HA CB
 &rst iat=844,861,847,848, &end
#
#  chirality for residue 58 atoms:  CA OG HB2 HB3
 &rst iat=865,870,868,869, &end
#
#  chirality for residue 58 atoms:  N C HA CB
 &rst iat=863,872,866,867, &end
#
#  chirality for residue 59 atoms:  N C HA2 HA3
 &rst iat=874,879,877,878, &end
#
#  chirality for residue 60 atoms:  CA CG HB2 HB3
 &rst iat=883,888,886,887, &end
#
#  chirality for residue 60 atoms:  CB CD HG2 HG3
 &rst iat=885,891,889,890, &end
#
#  chirality for residue 60 atoms:  N C HA CB
 &rst iat=881,896,884,885, &end
#
#  chirality for residue 61 atoms:  CA CG2 OG1 HB
 &rst iat=900,904,908,903, &end
#
#  chirality for residue 61 atoms:  N C HA CB
 &rst iat=898,910,901,902, &end
#
#  chirality for residue 62 atoms:  CA OG HB2 HB3
 &rst iat=914,919,917,918, &end
#
#  chirality for residue 62 atoms:  N C HA CB
 &rst iat=912,921,915,916, &end
#
#  chirality for residue 63 atoms:  CA CG HB2 HB3
 &rst iat=925,930,928,929, &end
#
#  chirality for residue 63 atoms:  N C HA CB
 &rst iat=923,933,926,927, &end
#
#  chirality for residue 64 atoms:  CA CG HB2 HB3
 &rst iat=945,939,943,944, &end
#
#  chirality for residue 64 atoms:  CB CD HG2 HG3
 &rst iat=942,936,940,941, &end
#
#  chirality for residue 64 atoms:  CG N HD2 HD3
 &rst iat=939,935,937,938, &end
#
#  chirality for residue 64 atoms:  N C HA CB
 &rst iat=935,947,946,942, &end
#
#  chirality for residue 65 atoms:  CA CG2 CG1 HB
 &rst iat=951,955,959,954, &end
#
#  chirality for residue 65 atoms:  CB CD1 HG12 HG13
 &rst iat=953,962,960,961, &end
#
#  chirality for residue 65 atoms:  N C HA CB
 &rst iat=949,966,952,953, &end
#
#  chirality for residue 66 atoms:  CA CG HB2 HB3
 &rst iat=970,975,973,974, &end
#
#  chirality for residue 66 atoms:  CB CD HG2 HG3
 &rst iat=972,978,976,977, &end
#
#  chirality for residue 66 atoms:  N C HA CB
 &rst iat=968,981,971,972, &end
#
#  chirality for residue 67 atoms:  CA CG HB2 HB3
 &rst iat=985,990,988,989, &end
#
#  chirality for residue 67 atoms:  N C HA CB
 &rst iat=983,995,986,987, &end
#
#  chirality for residue 68 atoms:  CA CG HB2 HB3
 &rst iat=999,1004,1002,1003, &end
#
#  chirality for residue 68 atoms:  N C HA CB
 &rst iat=997,1015,1000,1001, &end
#
#  chirality for residue 69 atoms:  CA CG HB2 HB3
 &rst iat=1019,1024,1022,1023, &end
#
#  chirality for residue 69 atoms:  N C HA CB
 &rst iat=1017,1029,1020,1021, &end
#
#  chirality for residue 70 atoms:  N C HA CB
 &rst iat=1031,1039,1034,1035, &end
#
#  chirality for residue 71 atoms:  CA CG HB2 HB3
 &rst iat=1043,1048,1046,1047, &end
#
#  chirality for residue 71 atoms:  N C HA CB
 &rst iat=1041,1051,1044,1045, &end
#
#  chirality for residue 72 atoms:  CA CG HB2 HB3
 &rst iat=1055,1060,1058,1059, &end
#
#  chirality for residue 72 atoms:  N C HA CB
 &rst iat=1053,1063,1056,1057, &end
#
#  chirality for residue 73 atoms:  CA CG HB2 HB3
 &rst iat=1067,1072,1070,1071, &end
#
#  chirality for residue 73 atoms:  N C HA CB
 &rst iat=1065,1084,1068,1069, &end
#
#  chirality for residue 74 atoms:  CA CG HB2 HB3
 &rst iat=1088,1093,1091,1092, &end
#
#  chirality for residue 74 atoms:  N C HA CB
 &rst iat=1086,1096,1089,1090, &end
#
#  chirality for residue 75 atoms:  CA CG1 CG2 HB
 &rst iat=1100,1104,1108,1103, &end
#
#  chirality for residue 75 atoms:  N C HA CB
 &rst iat=1098,1112,1101,1102, &end
#
#  chirality for residue 76 atoms:  CA CG1 CG2 HB
 &rst iat=1116,1120,1124,1119, &end
#
#  chirality for residue 76 atoms:  N C HA CB
 &rst iat=1114,1128,1117,1118, &end
#
#  chirality for residue 77 atoms:  CA CG2 CG1 HB
 &rst iat=1132,1136,1140,1135, &end
#
#  chirality for residue 77 atoms:  CB CD1 HG12 HG13
 &rst iat=1134,1143,1141,1142, &end
#
#  chirality for residue 77 atoms:  N C HA CB
 &rst iat=1130,1147,1133,1134, &end
#
#  chirality for residue 78 atoms:  CA OG HB2 HB3
 &rst iat=1151,1156,1154,1155, &end
#
#  chirality for residue 78 atoms:  N C HA CB
 &rst iat=1149,1158,1152,1153, &end
#
#  chirality for residue 79 atoms:  CA CG HB2 HB3
 &rst iat=1162,1167,1165,1166, &end
#
#  chirality for residue 79 atoms:  CB CD1 CD2 HG
 &rst iat=1164,1169,1173,1168, &end
#
#  chirality for residue 79 atoms:  N C HA CB
 &rst iat=1160,1177,1163,1164, &end
#
#  chirality for residue 80 atoms:  CA SG HB2 HB3
 &rst iat=1181,1186,1184,1185, &end
#
#  chirality for residue 80 atoms:  N C HA CB
 &rst iat=1179,1188,1182,1183, &end
#
#  chirality for residue 81 atoms:  N C HA2 HA3
 &rst iat=1190,1195,1193,1194, &end
#
#  chirality for residue 82 atoms:  CA SG HB2 HB3
 &rst iat=1199,1204,1202,1203, &end
#
#  chirality for residue 82 atoms:  N C HA CB
 &rst iat=1197,1206,1200,1201, &end
#
#  chirality for residue 83 atoms:  N C HA2 HA3
 &rst iat=1208,1213,1211,1212, &end
#
#  chirality for residue 84 atoms:  CA CG1 CG2 HB
 &rst iat=1217,1221,1225,1220, &end
#
#  chirality for residue 84 atoms:  N C HA CB
 &rst iat=1215,1229,1218,1219, &end
#
#  chirality for residue 85 atoms:  CA CG HB2 HB3
 &rst iat=1233,1238,1236,1237, &end
#
#  chirality for residue 85 atoms:  N C HA CB
 &rst iat=1231,1243,1234,1235, &end
#
#  chirality for residue 86 atoms:  CA CG HB2 HB3
 &rst iat=1247,1252,1250,1251, &end
#
#  chirality for residue 86 atoms:  CB CD1 CD2 HG
 &rst iat=1249,1254,1258,1253, &end
#
#  chirality for residue 86 atoms:  N C HA CB
 &rst iat=1245,1262,1248,1249, &end
#
#  chirality for residue 87 atoms:  CA CG HB2 HB3
 &rst iat=1274,1268,1272,1273, &end
#
#  chirality for residue 87 atoms:  CB CD HG2 HG3
 &rst iat=1271,1265,1269,1270, &end
#
#  chirality for residue 87 atoms:  CG N HD2 HD3
 &rst iat=1268,1264,1266,1267, &end
#
#  chirality for residue 87 atoms:  N C HA CB
 &rst iat=1264,1276,1275,1271, &end
#
#  chirality for residue 88 atoms:  CA CG HB2 HB3
 &rst iat=1288,1282,1286,1287, &end
#
#  chirality for residue 88 atoms:  CB CD HG2 HG3
 &rst iat=1285,1279,1283,1284, &end
#
#  chirality for residue 88 atoms:  CG N HD2 HD3
 &rst iat=1282,1278,1280,1281, &end
#
#  chirality for residue 88 atoms:  N C HA CB
 &rst iat=1278,1290,1289,1285, &end
#
#  chirality for residue 89 atoms:  CA CG HB2 HB3
 &rst iat=1294,1299,1297,1298, &end
#
#  chirality for residue 89 atoms:  CB CD HG2 HG3
 &rst iat=1296,1302,1300,1301, &end
#
#  chirality for residue 89 atoms:  N C HA CB
 &rst iat=1292,1305,1295,1296, &end
#
#  chirality for residue 90 atoms:  CA CG HB2 HB3
 &rst iat=1309,1314,1312,1313, &end
#
#  chirality for residue 90 atoms:  N C HA CB
 &rst iat=1307,1329,1310,1311, &end
#
#  chirality for residue 91 atoms:  CA CG1 CG2 HB
 &rst iat=1333,1337,1341,1336, &end
#
#  chirality for residue 91 atoms:  N C HA CB
 &rst iat=1331,1345,1334,1335, &end
#
#  chirality for residue 92 atoms:  CA CG2 OG1 HB
 &rst iat=1349,1353,1357,1352, &end
#
#  chirality for residue 92 atoms:  N C HA CB
 &rst iat=1347,1359,1350,1351, &end
#
#  chirality for residue 93 atoms:  CA CG HB2 HB3
 &rst iat=1363,1368,1366,1367, &end
#
#  chirality for residue 93 atoms:  CB CD HG2 HG3
 &rst iat=1365,1371,1369,1370, &end
#
#  chirality for residue 93 atoms:  N C HA CB
 &rst iat=1361,1376,1364,1365, &end
#
#  chirality for residue 94 atoms:  CA CG HB2 HB3
 &rst iat=1380,1385,1383,1384, &end
#
#  chirality for residue 94 atoms:  CB CD HG2 HG3
 &rst iat=1382,1388,1386,1387, &end
#
#  chirality for residue 94 atoms:  N C HA CB
 &rst iat=1378,1391,1381,1382, &end
#
#  chirality for residue 95 atoms:  CA CG2 CG1 HB
 &rst iat=1395,1399,1403,1398, &end
#
#  chirality for residue 95 atoms:  CB CD1 HG12 HG13
 &rst iat=1397,1406,1404,1405, &end
#
#  chirality for residue 95 atoms:  N C HA CB
 &rst iat=1393,1410,1396,1397, &end
#
#  chirality for residue 96 atoms:  CA CG HB2 HB3
 &rst iat=1414,1419,1417,1418, &end
#
#  chirality for residue 96 atoms:  N C HA CB
 &rst iat=1412,1430,1415,1416, &end
#
#  chirality for residue 97 atoms:  CA CG HB2 HB3
 &rst iat=1434,1439,1437,1438, &end
#
#  chirality for residue 97 atoms:  CB CD HG2 HG3
 &rst iat=1436,1442,1440,1441, &end
#
#  chirality for residue 97 atoms:  N C HA CB
 &rst iat=1432,1445,1435,1436, &end
#
#  chirality for residue 98 atoms:  CA CG HB2 HB3
 &rst iat=1449,1454,1452,1453, &end
#
#  chirality for residue 98 atoms:  N C HA CB
 &rst iat=1447,1457,1450,1451, &end
#
#  chirality for residue 99 atoms:  CA CG HB2 HB3
 &rst iat=1461,1466,1464,1465, &end
#
#  chirality for residue 99 atoms:  N C HA CB
 &rst iat=1459,1481,1462,1463, &end
#
#  chirality for residue 100 atoms:  CA CG HB2 HB3
 &rst iat=1485,1490,1488,1489, &end
#
#  chirality for residue 100 atoms:  CB CD HG2 HG3
 &rst iat=1487,1493,1491,1492, &end
#
#  chirality for residue 100 atoms:  N C HA CB
 &rst iat=1483,1498,1486,1487, &end
#
#  chirality for residue 101 atoms:  CA CG HB2 HB3
 &rst iat=1502,1507,1505,1506, &end
#
#  chirality for residue 101 atoms:  CB CD1 CD2 HG
 &rst iat=1504,1509,1513,1508, &end
#
#  chirality for residue 101 atoms:  N C HA CB
 &rst iat=1500,1517,1503,1504, &end
#
#  chirality for residue 102 atoms:  CA CG HB2 HB3
 &rst iat=1521,1526,1524,1525, &end
#
#  chirality for residue 102 atoms:  CB CD HG2 HG3
 &rst iat=1523,1529,1527,1528, &end
#
#  chirality for residue 102 atoms:  N C HA CB
 &rst iat=1519,1532,1522,1523, &end
#
#  chirality for residue 103 atoms:  CA CG HB2 HB3
 &rst iat=1536,1541,1539,1540, &end
#
#  chirality for residue 103 atoms:  N C HA CB
 &rst iat=1534,1544,1537,1538, &end
#
#  chirality for residue 104 atoms:  CA CG HB2 HB3
 &rst iat=1556,1550,1554,1555, &end
#
#  chirality for residue 104 atoms:  CB CD HG2 HG3
 &rst iat=1553,1547,1551,1552, &end
#
#  chirality for residue 104 atoms:  CG N HD2 HD3
 &rst iat=1550,1546,1548,1549, &end
#
#  chirality for residue 104 atoms:  N C HA CB
 &rst iat=1546,1558,1557,1553, &end
#
#  chirality for residue 105 atoms:  CA CG HB2 HB3
 &rst iat=1562,1567,1565,1566, &end
#
#  chirality for residue 105 atoms:  N C HA CB
 &rst iat=1560,1570,1563,1564, &end
#
#  chirality for residue 106 atoms:  N C HA2 HA3
 &rst iat=1572,1577,1575,1576, &end
#
#  chirality for residue 107 atoms:  CA CG HB2 HB3
 &rst iat=1581,1586,1584,1585, &end
#
#  chirality for residue 107 atoms:  CB CD HG2 HG3
 &rst iat=1583,1589,1587,1588, &end
#
#  chirality for residue 107 atoms:  N C HA CB
 &rst iat=1579,1594,1582,1583, &end
#
#  chirality for residue 108 atoms:  CA OG HB2 HB3
 &rst iat=1598,1603,1601,1602, &end
#
#  chirality for residue 108 atoms:  N C HA CB
 &rst iat=1596,1605,1599,1600, &end
#
#  chirality for residue 109 atoms:  CA CG HB2 HB3
 &rst iat=1609,1614,1612,1613, &end
#
#  chirality for residue 109 atoms:  CB CD1 CD2 HG
 &rst iat=1611,1616,1620,1615, &end
#
#  chirality for residue 109 atoms:  N C HA CB
 &rst iat=1607,1624,1610,1611, &end
#
#  chirality for residue 110 atoms:  CA CG HB2 HB3
 &rst iat=1628,1633,1631,1632, &end
#
#  chirality for residue 110 atoms:  CB CD HG2 HG3
 &rst iat=1630,1636,1634,1635, &end
#
#  chirality for residue 110 atoms:  N C HA CB
 &rst iat=1626,1639,1629,1630, &end
#
#  chirality for residue 111 atoms:  CA CG1 CG2 HB
 &rst iat=1643,1647,1651,1646, &end
#
#  chirality for residue 111 atoms:  N C HA CB
 &rst iat=1641,1655,1644,1645, &end
#
#  chirality for residue 112 atoms:  CA CG HB2 HB3
 &rst iat=1659,1664,1662,1663, &end
#
#  chirality for residue 112 atoms:  N C HA CB
 &rst iat=1657,1675,1660,1661, &end
#
#  chirality for residue 113 atoms:  CA CG HB2 HB3
 &rst iat=1679,1684,1682,1683, &end
#
#  chirality for residue 113 atoms:  CB CD HG2 HG3
 &rst iat=1681,1687,1685,1686, &end
#
#  chirality for residue 113 atoms:  CG NE HD2 HD3
 &rst iat=1684,1690,1688,1689, &end
#
#  chirality for residue 113 atoms:  N C HA CB
 &rst iat=1677,1699,1680,1681, &end
#
#  chirality for residue 114 atoms:  CA CG2 OG1 HB
 &rst iat=1703,1707,1711,1706, &end
#
#  chirality for residue 114 atoms:  N C HA CB
 &rst iat=1701,1713,1704,1705, &end
#
#  chirality for residue 115 atoms:  CA CG1 CG2 HB
 &rst iat=1717,1721,1725,1720, &end
#
#  chirality for residue 115 atoms:  N C HA CB
 &rst iat=1715,1729,1718,1719, &end
#
#  chirality for residue 116 atoms:  CA CG HB2 HB3
 &rst iat=1733,1738,1736,1737, &end
#
#  chirality for residue 116 atoms:  CB CD HG2 HG3
 &rst iat=1735,1741,1739,1740, &end
#
#  chirality for residue 116 atoms:  CG NE HD2 HD3
 &rst iat=1738,1744,1742,1743, &end
#
#  chirality for residue 116 atoms:  N C HA CB
 &rst iat=1731,1753,1734,1735, &end
#
#  chirality for residue 117 atoms:  N C HA2 HA3
 &rst iat=1755,1760,1758,1759, &end
#
#  chirality for residue 118 atoms:  CA CG HB2 HB3
 &rst iat=1764,1769,1767,1768, &end
#
#  chirality for residue 118 atoms:  CB CD HG2 HG3
 &rst iat=1766,1772,1770,1771, &end
#
#  chirality for residue 118 atoms:  N C HA CB
 &rst iat=1762,1777,1765,1766, &end
#
#  chirality for residue 119 atoms:  CA CG1 CG2 HB
 &rst iat=1781,1785,1789,1784, &end
#
#  chirality for residue 119 atoms:  N C HA CB
 &rst iat=1779,1793,1782,1783, &end
#
#  chirality for residue 120 atoms:  CA CG HB2 HB3
 &rst iat=1797,1802,1800,1801, &end
#
#  chirality for residue 120 atoms:  CB CD HG2 HG3
 &rst iat=1799,1805,1803,1804, &end
#
#  chirality for residue 120 atoms:  CD NZ HE2 HE3
 &rst iat=1805,1811,1809,1810, &end
#
#  chirality for residue 120 atoms:  CG CE HD2 HD3
 &rst iat=1802,1808,1806,1807, &end
#
#  chirality for residue 120 atoms:  N C HA CB
 &rst iat=1795,1815,1798,1799, &end
#
#  chirality for residue 121 atoms:  CA CG HB2 HB3
 &rst iat=1819,1824,1822,1823, &end
#
#  chirality for residue 121 atoms:  CB CD HG2 HG3
 &rst iat=1821,1827,1825,1826, &end
#
#  chirality for residue 121 atoms:  N C HA CB
 &rst iat=1817,1830,1820,1821, &end
#
#  chirality for residue 122 atoms:  CA CG HB2 HB3
 &rst iat=1834,1839,1837,1838, &end
#
#  chirality for residue 122 atoms:  CB CD HG2 HG3
 &rst iat=1836,1842,1840,1841, &end
#
#  chirality for residue 122 atoms:  CG NE HD2 HD3
 &rst iat=1839,1845,1843,1844, &end
#
#  chirality for residue 122 atoms:  N C HA CB
 &rst iat=1832,1854,1835,1836, &end
#
#  chirality for residue 123 atoms:  CA CG1 CG2 HB
 &rst iat=1858,1862,1866,1861, &end
#
#  chirality for residue 123 atoms:  N C HA CB
 &rst iat=1856,1870,1859,1860, &end
#
#  chirality for residue 124 atoms:  CA CG HB2 HB3
 &rst iat=1874,1879,1877,1878, &end
#
#  chirality for residue 124 atoms:  CB CD HG2 HG3
 &rst iat=1876,1882,1880,1881, &end
#
#  chirality for residue 124 atoms:  N C HA CB
 &rst iat=1872,1885,1875,1876, &end
#
#  chirality for residue 125 atoms:  CA CG HB2 HB3
 &rst iat=1889,1894,1892,1893, &end
#
#  chirality for residue 125 atoms:  N C HA CB
 &rst iat=1887,1899,1890,1891, &end
#
#  chirality for residue 126 atoms:  CA CG HB2 HB3
 &rst iat=1903,1908,1906,1907, &end
#
#  chirality for residue 126 atoms:  CB CD1 CD2 HG
 &rst iat=1905,1910,1914,1909, &end
#
#  chirality for residue 126 atoms:  N C HA CB
 &rst iat=1901,1918,1904,1905, &end
#
#  chirality for residue 127 atoms:  CA CG2 CG1 HB
 &rst iat=1922,1926,1930,1925, &end
#
#  chirality for residue 127 atoms:  CB CD1 HG12 HG13
 &rst iat=1924,1933,1931,1932, &end
#
#  chirality for residue 127 atoms:  N C HA CB
 &rst iat=1920,1937,1923,1924, &end
#
#  chirality for residue 128 atoms:  N C HA CB
 &rst iat=1939,1947,1942,1943, &end
#
#  chirality for residue 129 atoms:  CA CG HB2 HB3
 &rst iat=1951,1956,1954,1955, &end
#
#  chirality for residue 129 atoms:  CB CD HG2 HG3
 &rst iat=1953,1959,1957,1958, &end
#
#  chirality for residue 129 atoms:  CD NZ HE2 HE3
 &rst iat=1959,1965,1963,1964, &end
#
#  chirality for residue 129 atoms:  CG CE HD2 HD3
 &rst iat=1956,1962,1960,1961, &end
#
#  chirality for residue 129 atoms:  N C HA CB
 &rst iat=1949,1969,1952,1953, &end
#
#  chirality for residue 130 atoms:  CA CG2 CG1 HB
 &rst iat=1973,1977,1981,1976, &end
#
#  chirality for residue 130 atoms:  CB CD1 HG12 HG13
 &rst iat=1975,1984,1982,1983, &end
#
#  chirality for residue 130 atoms:  N C HA CB
 &rst iat=1971,1988,1974,1975, &end
#
#  chirality for residue 131 atoms:  CA OG HB2 HB3
 &rst iat=1992,1997,1995,1996, &end
#
#  chirality for residue 131 atoms:  N C HA CB
 &rst iat=1990,1999,1993,1994, &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=44,42,40,22, &end
#
#  trans-omega constraint for residue 4
 &rst iat=66,64,62,44, &end
#
#  trans-omega constraint for residue 5
 &rst iat=82,80,78,66, &end
#
#  trans-omega constraint for residue 6
 &rst iat=99,97,95,82, &end
#
#  trans-omega constraint for residue 7
 &rst iat=119,117,115,99, &end
#
#  trans-omega constraint for residue 8
 &rst iat=135,133,131,119, &end
#
#  trans-omega constraint for residue 9
 &rst iat=146,144,142,135, &end
#
#  trans-omega constraint for residue 10
 &rst iat=168,166,164,146, &end
#
#  trans-omega constraint for residue 11
 &rst iat=192,190,188,168, &end
#
#  trans-omega constraint for residue 12
 &rst iat=206,204,202,192, &end
#
#  trans-omega constraint for residue 13
 &rst iat=217,215,213,206, &end
#
#  trans-omega constraint for residue 14
 &rst iat=228,226,224,217, &end
#
#  trans-omega constraint for residue 15
 &rst iat=252,250,248,228, &end
#
#  trans-omega constraint for residue 16
 &rst iat=263,261,259,252, &end
#
#  trans-omega constraint for residue 17
 &rst iat=280,278,276,263, &end
#
#  trans-omega constraint for residue 18
 &rst iat=297,295,293,280, &end
#
#  trans-omega constraint for residue 19
 &rst iat=307,305,303,297, &end
#
#  trans-omega constraint for residue 20
 &rst iat=322,320,318,307, &end
#
#  trans-omega constraint for residue 21
 &rst iat=329,327,325,322, &end
#
#  trans-omega constraint for residue 22
 &rst iat=349,347,345,329, &end
#
#  trans-omega constraint for residue 23
 &rst iat=359,357,355,349, &end
#
#  trans-omega constraint for residue 24
 &rst iat=381,379,377,359, &end
#
#  trans-omega constraint for residue 25
 &rst iat=395,393,391,381, &end
#
#  trans-omega constraint for residue 26
 &rst iat=414,412,410,395, &end
#
#  trans-omega constraint for residue 27
 &rst iat=421,419,417,414, &end
#
#  trans-omega constraint for residue 28
 &rst iat=431,429,427,421, &end
#
#  trans-omega constraint for residue 29
 &rst iat=438,436,434,431, &end
#
#  trans-omega constraint for residue 30
 &rst iat=460,458,456,438, &end
#
#  trans-omega constraint for residue 31
 &rst iat=479,477,475,460, &end
#
#  trans-omega constraint for residue 32
 &rst iat=489,487,485,479, &end
#
#  trans-omega constraint for residue 33
 &rst iat=505,503,501,489, &end
#
#  trans-omega constraint for residue 34
 &rst iat=519,517,515,505, &end
#
#  trans-omega constraint for residue 35
 &rst iat=530,528,526,519, &end
#
#  trans-omega constraint for residue 36
 &rst iat=541,539,537,530, &end
#
#  trans-omega constraint for residue 37
 &rst iat=548,546,544,541, &end
#
#  trans-omega constraint for residue 38
 &rst iat=567,565,563,548, &end
#
#  trans-omega constraint for residue 39
 &rst iat=582,580,578,567, &end
#
#  trans-omega constraint for residue 40
 &rst iat=593,591,589,582, &end
#
#  trans-omega constraint for residue 41
 &rst iat=604,602,600,593, &end
#
#  trans-omega constraint for residue 42
 &rst iat=628,626,624,604, &end
#
#  trans-omega constraint for residue 43
 &rst iat=644,642,640,628, &end
#
#  trans-omega constraint for residue 44
 &rst iat=669,659,657,644, &end
#
#  trans-omega constraint for residue 45
 &rst iat=675,673,671,669, &end
#
#  trans-omega constraint for residue 46
 &rst iat=689,687,685,675, &end
#
#  trans-omega constraint for residue 47
 &rst iat=699,697,695,689, &end
#
#  trans-omega constraint for residue 48
 &rst iat=718,716,714,699, &end
#
#  trans-omega constraint for residue 49
 &rst iat=728,726,724,718, &end
#
#  trans-omega constraint for residue 50
 &rst iat=745,743,741,728, &end
#
#  trans-omega constraint for residue 51
 &rst iat=762,760,758,745, &end
#
#  trans-omega constraint for residue 52
 &rst iat=777,775,773,762, &end
#
#  trans-omega constraint for residue 53
 &rst iat=792,790,788,777, &end
#
#  trans-omega constraint for residue 54
 &rst iat=808,806,804,792, &end
#
#  trans-omega constraint for residue 55
 &rst iat=815,813,811,808, &end
#
#  trans-omega constraint for residue 56
 &rst iat=834,832,830,815, &end
#
#  trans-omega constraint for residue 57
 &rst iat=846,844,842,834, &end
#
#  trans-omega constraint for residue 58
 &rst iat=865,863,861,846, &end
#
#  trans-omega constraint for residue 59
 &rst iat=876,874,872,865, &end
#
#  trans-omega constraint for residue 60
 &rst iat=883,881,879,876, &end
#
#  trans-omega constraint for residue 61
 &rst iat=900,898,896,883, &end
#
#  trans-omega constraint for residue 62
 &rst iat=914,912,910,900, &end
#
#  trans-omega constraint for residue 63
 &rst iat=925,923,921,914, &end
#
#  trans-omega constraint for residue 64
 &rst iat=945,935,933,925, &end
#
#  trans-omega constraint for residue 65
 &rst iat=951,949,947,945, &end
#
#  trans-omega constraint for residue 66
 &rst iat=970,968,966,951, &end
#
#  trans-omega constraint for residue 67
 &rst iat=985,983,981,970, &end
#
#  trans-omega constraint for residue 68
 &rst iat=999,997,995,985, &end
#
#  trans-omega constraint for residue 69
 &rst iat=1019,1017,1015,999, &end
#
#  trans-omega constraint for residue 70
 &rst iat=1033,1031,1029,1019, &end
#
#  trans-omega constraint for residue 71
 &rst iat=1043,1041,1039,1033, &end
#
#  trans-omega constraint for residue 72
 &rst iat=1055,1053,1051,1043, &end
#
#  trans-omega constraint for residue 73
 &rst iat=1067,1065,1063,1055, &end
#
#  trans-omega constraint for residue 74
 &rst iat=1088,1086,1084,1067, &end
#
#  trans-omega constraint for residue 75
 &rst iat=1100,1098,1096,1088, &end
#
#  trans-omega constraint for residue 76
 &rst iat=1116,1114,1112,1100, &end
#
#  trans-omega constraint for residue 77
 &rst iat=1132,1130,1128,1116, &end
#
#  trans-omega constraint for residue 78
 &rst iat=1151,1149,1147,1132, &end
#
#  trans-omega constraint for residue 79
 &rst iat=1162,1160,1158,1151, &end
#
#  trans-omega constraint for residue 80
 &rst iat=1181,1179,1177,1162, &end
#
#  trans-omega constraint for residue 81
 &rst iat=1192,1190,1188,1181, &end
#
#  trans-omega constraint for residue 82
 &rst iat=1199,1197,1195,1192, &end
#
#  trans-omega constraint for residue 83
 &rst iat=1210,1208,1206,1199, &end
#
#  trans-omega constraint for residue 84
 &rst iat=1217,1215,1213,1210, &end
#
#  trans-omega constraint for residue 85
 &rst iat=1233,1231,1229,1217, &end
#
#  trans-omega constraint for residue 86
 &rst iat=1247,1245,1243,1233, &end
#
#  trans-omega constraint for residue 87
 &rst iat=1274,1264,1262,1247, &end
#
#  trans-omega constraint for residue 88
 &rst iat=1288,1278,1276,1274, &end
#
#  trans-omega constraint for residue 89
 &rst iat=1294,1292,1290,1288, &end
#
#  trans-omega constraint for residue 90
 &rst iat=1309,1307,1305,1294, &end
#
#  trans-omega constraint for residue 91
 &rst iat=1333,1331,1329,1309, &end
#
#  trans-omega constraint for residue 92
 &rst iat=1349,1347,1345,1333, &end
#
#  trans-omega constraint for residue 93
 &rst iat=1363,1361,1359,1349, &end
#
#  trans-omega constraint for residue 94
 &rst iat=1380,1378,1376,1363, &end
#
#  trans-omega constraint for residue 95
 &rst iat=1395,1393,1391,1380, &end
#
#  trans-omega constraint for residue 96
 &rst iat=1414,1412,1410,1395, &end
#
#  trans-omega constraint for residue 97
 &rst iat=1434,1432,1430,1414, &end
#
#  trans-omega constraint for residue 98
 &rst iat=1449,1447,1445,1434, &end
#
#  trans-omega constraint for residue 99
 &rst iat=1461,1459,1457,1449, &end
#
#  trans-omega constraint for residue 100
 &rst iat=1485,1483,1481,1461, &end
#
#  trans-omega constraint for residue 101
 &rst iat=1502,1500,1498,1485, &end
#
#  trans-omega constraint for residue 102
 &rst iat=1521,1519,1517,1502, &end
#
#  trans-omega constraint for residue 103
 &rst iat=1536,1534,1532,1521, &end
#
#  trans-omega constraint for residue 104
 &rst iat=1556,1546,1544,1536, &end
#
#  trans-omega constraint for residue 105
 &rst iat=1562,1560,1558,1556, &end
#
#  trans-omega constraint for residue 106
 &rst iat=1574,1572,1570,1562, &end
#
#  trans-omega constraint for residue 107
 &rst iat=1581,1579,1577,1574, &end
#
#  trans-omega constraint for residue 108
 &rst iat=1598,1596,1594,1581, &end
#
#  trans-omega constraint for residue 109
 &rst iat=1609,1607,1605,1598, &end
#
#  trans-omega constraint for residue 110
 &rst iat=1628,1626,1624,1609, &end
#
#  trans-omega constraint for residue 111
 &rst iat=1643,1641,1639,1628, &end
#
#  trans-omega constraint for residue 112
 &rst iat=1659,1657,1655,1643, &end
#
#  trans-omega constraint for residue 113
 &rst iat=1679,1677,1675,1659, &end
#
#  trans-omega constraint for residue 114
 &rst iat=1703,1701,1699,1679, &end
#
#  trans-omega constraint for residue 115
 &rst iat=1717,1715,1713,1703, &end
#
#  trans-omega constraint for residue 116
 &rst iat=1733,1731,1729,1717, &end
#
#  trans-omega constraint for residue 117
 &rst iat=1757,1755,1753,1733, &end
#
#  trans-omega constraint for residue 118
 &rst iat=1764,1762,1760,1757, &end
#
#  trans-omega constraint for residue 119
 &rst iat=1781,1779,1777,1764, &end
#
#  trans-omega constraint for residue 120
 &rst iat=1797,1795,1793,1781, &end
#
#  trans-omega constraint for residue 121
 &rst iat=1819,1817,1815,1797, &end
#
#  trans-omega constraint for residue 122
 &rst iat=1834,1832,1830,1819, &end
#
#  trans-omega constraint for residue 123
 &rst iat=1858,1856,1854,1834, &end
#
#  trans-omega constraint for residue 124
 &rst iat=1874,1872,1870,1858, &end
#
#  trans-omega constraint for residue 125
 &rst iat=1889,1887,1885,1874, &end
#
#  trans-omega constraint for residue 126
 &rst iat=1903,1901,1899,1889, &end
#
#  trans-omega constraint for residue 127
 &rst iat=1922,1920,1918,1903, &end
#
#  trans-omega constraint for residue 128
 &rst iat=1941,1939,1937,1922, &end
#
#  trans-omega constraint for residue 129
 &rst iat=1951,1949,1947,1941, &end
#
#  trans-omega constraint for residue 130
 &rst iat=1973,1971,1969,1951, &end
#
#  trans-omega constraint for residue 131
 &rst iat=1992,1990,1988,1973, &end
#
#   33 THR  MG2          33 THR  HB          2.80    (#      0:25  Unique         2.41, 2.66 A)
 &rst
  ixpk= 0, nxpk= 25, iat=  -1, 508, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,

      rk2=20.0, rk3=20.0, ir6=1, ialtd=1,
 igr1= 510, 511, 512,
 &end
#
#   61 THR  MG2          61 THR  HB          2.80    (#      1:25  Unique         2.32, 2.66 A)
 &rst
  ixpk= 1, nxpk= 25, iat=  -1, 903, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 905, 906, 907,
 &end
#
#   62 SER  HN           61 THR  HB          3.50    (#      3:25  Unique         1.68, 2.44 A)
 &rst
  ixpk= 3, nxpk= 25, iat= 913, 903, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:4        0 AMB  25-1:4      2.80    (#      4:25  Double Ambig)
 &rst
  ixpk= 4, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.11, r4= 4.86,
 igr1= 386, 387, 388, 610, 611,
 igr2= 384, 903,
 &end
#
#   92 THR  MG2          92 THR  HB          2.80    (#      6:25  Unique         2.31, 2.68 A)
 &rst
  ixpk= 6, nxpk= 25, iat=  -1,1352, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1354,1355,1356,
 &end
#
#  114 THR  MG2         114 THR  HB          2.80    (#      7:25  Unique         2.37, 2.66 A)
 &rst
  ixpk= 7, nxpk= 25, iat=  -1,1706, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1708,1709,1710,
 &end
#
#  123 VAL  MGY         123 VAL  HA          2.80    (#      8:25  Unique         2.39, 3.17 A)
 &rst
  ixpk= 8, nxpk= 25, iat=  -1,1859, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1863,1864,1865,1867,1868,1869,
 &end
#
#  123 VAL  MGX         123 VAL  HA          2.80    (#      9:25  Unique         2.39, 3.17 A)
 &rst
  ixpk= 9, nxpk= 25, iat=  -1,1859, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1863,1864,1865,1867,1868,1869,
 &end
#
#  101 LEU  HG          119 VAL  HA          3.50    (#     10:25  Unique         2.73, 3.05 A)
 &rst
  ixpk= 10, nxpk= 25, iat=1508,1782, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  114 THR  MG2         114 THR  HA          2.80    (#     11:25  Unique         2.34, 3.11 A)
 &rst
  ixpk= 11, nxpk= 25, iat=  -1,1704, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1708,1709,1710,
 &end
#
#    0 AMB  25-2:12       0 AMB  25-1:12     2.80    (#     12:25  Double Ambig)
 &rst
  ixpk= 12, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.44, r4= 6.19,
 igr1=1722,1723,1724,1726,1727,1728,1722,1723,1724,1726,
      1727,1728, 556, 557, 558, 560, 561, 562,
 igr2=1718, 522, 523,
 &end
#
#  111 VAL  MGY         111 VAL  HA          2.80    (#     13:25  Unique         2.37, 3.12 A)
 &rst
  ixpk= 13, nxpk= 25, iat=  -1,1644, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1648,1649,1650,1652,1653,1654,
 &end
#
#  111 VAL  MGX         111 VAL  HA          2.80    (#     14:25  Unique         2.37, 3.12 A)
 &rst
  ixpk= 14, nxpk= 25, iat=  -1,1644, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1648,1649,1650,1652,1653,1654,
 &end
#
#  114 THR  HB          111 VAL  HA          2.80    (#     15:25  Unique         2.25, 2.43 A)
 &rst
  ixpk= 15, nxpk= 25, iat=1706,1644, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   45 THR  MG2          45 THR  HA          2.80    (#     16:25  Unique         2.39, 3.06 A)
 &rst
  ixpk= 16, nxpk= 25, iat=  -1, 676, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 680, 681, 682,
 &end
#
#   48 ALA  MB           45 THR  HA          2.80    (#     17:25  Unique         2.63, 3.69 A)
 &rst
  ixpk= 17, nxpk= 25, iat=  -1, 676, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 721, 722, 723,
 &end
#
#   24 THR  MG2          24 THR  HA          2.80    (#     18:25  Unique         2.87, 3.48 A)
 &rst
  ixpk= 18, nxpk= 25, iat=  -1, 382, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 386, 387, 388,
 &end
#
#   44 PRO  HB+          44 PRO  HA          2.80    (#     19:25  Unique         2.22, 2.54 A)
 &rst
  ixpk= 19, nxpk= 25, iat=  -1, 670, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 667, 668,
 &end
#
#   47 ILE  HB           44 PRO  HA          2.80    (#     20:25  Unique         2.14, 2.32 A)
 &rst
  ixpk= 20, nxpk= 25, iat= 702, 670, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   47 ILE  QD1          44 PRO  HA          2.80    (#     21:25  Unique         2.25, 3.65 A)
 &rst
  ixpk= 21, nxpk= 25, iat=  -1, 670, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 711, 712, 713,
 &end
#
#  131 SER  HA          131 SER  HB+         2.80    (#     22:25  Unique         2.42, 2.74 A)
 &rst
  ixpk= 22, nxpk= 25, iat=1993,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1995,1996,
 &end
#
#    0 AMB  25-2:24     127 ILE  HA          2.80    (#     24:25  Single Ambig)
 &rst
  ixpk= 24, nxpk= 25, iat=  -1,1923, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1931,1932,1925,
 &end
#
#  130 ILE  HG1+        127 ILE  HA          2.80    (#     25:25  Unique         2.16, 2.96 A)
 &rst
  ixpk= 25, nxpk= 25, iat=  -1,1923, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1982,1983,
 &end
#
#  127 ILE  HG1+        127 ILE  HA          2.80    (#     26:25  Unique         2.13, 2.43 A)
 &rst
  ixpk= 26, nxpk= 25, iat=  -1,1923, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1931,1932,
 &end
#
#    0 AMB  25-2:27     127 ILE  HA          2.80    (#     27:25  Single Ambig)
 &rst
  ixpk= 27, nxpk= 25, iat=  -1,1923, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1927,1928,1929, 465, 466, 467,
 &end
#
#   57 ILE  HG1-         47 ILE  HA          2.80    (#     28:25  Unique         2.79, 3.13 A)
 &rst
  ixpk= 28, nxpk= 25, iat=  -1, 700, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 855, 856,
 &end
#
#   47 ILE  HG1+         47 ILE  HA          2.80    (#     29:25  Unique         2.29, 3.00 A)
 &rst
  ixpk= 29, nxpk= 25, iat=  -1, 700, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 708, 709,
 &end
#
#  131 SER  HA          131 SER  HB-         2.80    (#     31:25  Unique         2.42, 2.74 A)
 &rst
  ixpk= 31, nxpk= 25, iat=1993,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1995,1996,
 &end
#
#   88 PRO  HB+          88 PRO  HA          2.80    (#     33:25  Unique         2.25, 2.67 A)
 &rst
  ixpk= 33, nxpk= 25, iat=  -1,1289, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1286,1287,
 &end
#
#   88 PRO  HB-          88 PRO  HA          2.80    (#     35:25  Unique         2.25, 2.67 A)
 &rst
  ixpk= 35, nxpk= 25, iat=  -1,1289, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1286,1287,
 &end
#
#    0 AMB  25-2:36       0 AMB  25-1:36     2.80    (#     36:25  Double Ambig)
 &rst
  ixpk= 36, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=1338,1339,1340,1342,1343,1344,1648,1649,1650,1652,
      1653,1654,
 igr2=1289,1601,1602,
 &end
#
#   65 ILE  HB           65 ILE  HA          2.80    (#     40:25  Unique         2.39, 2.45 A)
 &rst
  ixpk= 40, nxpk= 25, iat= 954, 952, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   65 ILE  HG1+         65 ILE  HA          2.80    (#     41:25  Unique         2.40, 2.76 A)
 &rst
  ixpk= 41, nxpk= 25, iat=  -1, 952, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 960, 961,
 &end
#
#   21 PHE  HD           21 PHE  HA          2.80    (#     43:25  Unique         2.02, 3.38 A)
 &rst
  ixpk= 43, nxpk= 25, iat=  -1, 330, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 336, 344,
 &end
#
#   85 ASN  HN           84 VAL  HA          2.80    (#     44:25  Unique         2.06, 2.16 A)
 &rst
  ixpk= 44, nxpk= 25, iat=1232,1218, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  25-2:45      84 VAL  HA          2.80    (#     45:25  Single Ambig)
 &rst
  ixpk= 45, nxpk= 25, iat=  -1,1218, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1222,1223,1224,1226,1227,1228,1222,1223,1224,1226,
      1227,1228,
 &end
#
#   33 THR  HN           32 VAL  HA          2.80    (#     46:25  Unique         2.20, 2.27 A)
 &rst
  ixpk= 46, nxpk= 25, iat= 504, 490, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   32 VAL  MGX          32 VAL  HA          2.80    (#     47:25  Unique         2.33, 3.22 A)
 &rst
  ixpk= 47, nxpk= 25, iat=  -1, 490, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 494, 495, 496, 498, 499, 500,
 &end
#
#    0 AMB  25-2:48     130 ILE  HA          3.50    (#     48:25  Single Ambig)
 &rst
  ixpk= 48, nxpk= 25, iat=  -1,1974, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1972,1991,
 &end
#
#  130 ILE  HB          130 ILE  HA          2.80    (#     49:25  Unique         2.49, 2.69 A)
 &rst
  ixpk= 49, nxpk= 25, iat=1976,1974, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  130 ILE  QG2         130 ILE  HA          2.80    (#     50:25  Unique         2.17, 2.76 A)
 &rst
  ixpk= 50, nxpk= 25, iat=  -1,1974, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1978,1979,1980,
 &end
#
#   57 ILE  QG2          57 ILE  HA          2.80    (#     52:25  Unique         2.26, 3.05 A)
 &rst
  ixpk= 52, nxpk= 25, iat=  -1, 847, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 851, 852, 853,
 &end
#
#   94 GLU  HN           94 GLU  HA          2.80    (#     53:25  Unique         2.87, 2.89 A)
 &rst
  ixpk= 53, nxpk= 25, iat=1379,1381, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   94 GLU  HB+          94 GLU  HA          2.80    (#     54:25  Unique         2.24, 2.64 A)
 &rst
  ixpk= 54, nxpk= 25, iat=  -1,1381, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1383,1384,
 &end
#
#   77 ILE  HN           76 VAL  HA          2.80    (#     55:25  Unique         2.06, 2.09 A)
 &rst
  ixpk= 55, nxpk= 25, iat=1131,1117, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  25-2:56      94 GLU  HA          2.80    (#     56:25  Single Ambig)
 &rst
  ixpk= 56, nxpk= 25, iat=  -1,1381, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1383,1384,1386,1387,
 &end
#
#   92 THR  MG2          92 THR  HA          3.50    (#     57:25  Unique         2.36, 3.07 A)
 &rst
  ixpk= 57, nxpk= 25, iat=  -1,1350, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1354,1355,1356,
 &end
#
#  131 SER  HN          131 SER  HA          2.80    (#     58:25  Unique         2.76, 2.84 A)
 &rst
  ixpk= 58, nxpk= 25, iat=1991,1993, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  131 SER  HB+         131 SER  HA          2.80    (#     59:25  Unique         2.42, 2.74 A)
 &rst
  ixpk= 59, nxpk= 25, iat=  -1,1993, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1995,1996,
 &end
#
#  131 SER  HB-         131 SER  HA          2.80    (#     60:25  Unique         2.42, 2.74 A)
 &rst
  ixpk= 60, nxpk= 25, iat=  -1,1993, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1995,1996,
 &end
#
#   55 ILE  QG2          55 ILE  HA          2.80    (#     61:25  Unique         2.65, 3.36 A)
 &rst
  ixpk= 61, nxpk= 25, iat=  -1, 816, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 820, 821, 822,
 &end
#
#  116 ARG  HB-         116 ARG  HA          2.80    (#     62:25  Unique         2.18, 2.52 A)
 &rst
  ixpk= 62, nxpk= 25, iat=  -1,1734, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1736,1737,
 &end
#
#  124 GLU  HN          124 GLU  HA          2.80    (#     63:25  Unique         2.78, 2.81 A)
 &rst
  ixpk= 63, nxpk= 25, iat=1873,1875, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  25-2:64     124 GLU  HA          2.80    (#     64:25  Single Ambig)
 &rst
  ixpk= 64, nxpk= 25, iat=  -1,1875, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1877,1878,1880,1881,
 &end
#
#    0 AMB  25-2:65     124 GLU  HA          2.80    (#     65:25  Single Ambig)
 &rst
  ixpk= 65, nxpk= 25, iat=  -1,1875, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1925,1877,1878,
 &end
#
#    0 AMB  25-2:66     124 GLU  HA          2.80    (#     66:25  Single Ambig)
 &rst
  ixpk= 66, nxpk= 25, iat=  -1,1875, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 403, 404, 405, 407, 408, 409,1863,1864,1865,1867,
      1868,1869,
 &end
#
#    5 MET  HN            4 VAL  HA          2.80    (#     67:25  Unique         2.30, 2.35 A)
 &rst
  ixpk= 67, nxpk= 25, iat=  81,  67, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   75 VAL  HB            4 VAL  HA          2.80    (#     68:25  Unique         2.34, 2.53 A)
 &rst
  ixpk= 68, nxpk= 25, iat=1103,  67, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  25-2:69       4 VAL  HA          2.80    (#     69:25  Single Ambig)
 &rst
  ixpk= 69, nxpk= 25, iat=  -1,  67, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=  71,  72,  73,  75,  76,  77,1105,1106,1107,1109,
      1110,1111,
 &end
#
#    4 VAL  MGX           4 VAL  HA          2.80    (#     70:25  Unique         2.25, 3.15 A)
 &rst
  ixpk= 70, nxpk= 25, iat=  -1,  67, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=  71,  72,  73,  75,  76,  77,
 &end
#
#   96 PHE  HN           95 ILE  HA          2.80    (#     71:25  Unique         2.18, 2.20 A)
 &rst
  ixpk= 71, nxpk= 25, iat=1413,1396, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   95 ILE  QG2          95 ILE  HA          2.80    (#     72:25  Unique         2.63, 3.25 A)
 &rst
  ixpk= 72, nxpk= 25, iat=  -1,1396, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1400,1401,1402,
 &end
#
#   95 ILE  HG1+         95 ILE  HA          2.80    (#     73:25  Unique         2.44, 2.82 A)
 &rst
  ixpk= 73, nxpk= 25, iat=  -1,1396, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1404,1405,
 &end
#
#   91 VAL  HB           91 VAL  HA          2.80    (#     74:25  Unique         2.36, 2.55 A)
 &rst
  ixpk= 74, nxpk= 25, iat=1336,1334, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   91 VAL  MGY          91 VAL  HA          2.80    (#     75:25  Unique         2.35, 3.45 A)
 &rst
  ixpk= 75, nxpk= 25, iat=  -1,1334, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1338,1339,1340,1342,1343,1344,
 &end
#
#   56 ASP  HN           55 ILE  HA          2.80    (#     76:25  Unique         2.09, 2.19 A)
 &rst
  ixpk= 76, nxpk= 25, iat= 833, 816, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  25-2:77      75 VAL  HA          2.80    (#     77:25  Single Ambig)
 &rst
  ixpk= 77, nxpk= 25, iat=  -1,1101, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1366,1367,1398,
 &end
#
#   76 VAL  HN           75 VAL  HA          2.80    (#     78:25  Unique         2.12, 2.17 A)
 &rst
  ixpk= 78, nxpk= 25, iat=1115,1101, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   75 VAL  MGX          75 VAL  HA          2.80    (#     79:25  Unique         2.32, 3.13 A)
 &rst
  ixpk= 79, nxpk= 25, iat=  -1,1101, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1105,1106,1107,1109,1110,1111,
 &end
#
#   75 VAL  MGY          75 VAL  HA          2.80    (#     80:25  Unique         2.32, 3.13 A)
 &rst
  ixpk= 80, nxpk= 25, iat=  -1,1101, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1105,1106,1107,1109,1110,1111,
 &end
#
#   62 SER  HN           61 THR  HA          2.80    (#     81:25  Unique         2.08, 2.39 A)
 &rst
  ixpk= 81, nxpk= 25, iat= 913, 901, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   61 THR  MG2          61 THR  HA          3.50    (#     82:25  Unique         2.09, 2.94 A)
 &rst
  ixpk= 82, nxpk= 25, iat=  -1, 901, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 905, 906, 907,
 &end
#
#  110 GLU  HG+         110 GLU  HA          2.80    (#     83:25  Unique         2.34, 2.85 A)
 &rst
  ixpk= 83, nxpk= 25, iat=  -1,1629, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1634,1635,
 &end
#
#    0 AMB  25-2:84     110 GLU  HA          2.80    (#     84:25  Single Ambig)
 &rst
  ixpk= 84, nxpk= 25, iat=  -1,1629, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1631,1632,1631,1632,
 &end
#
#   55 ILE  HN           51 GLU  HA          2.80    (#     86:25  Unique         2.80, 2.84 A)
 &rst
  ixpk= 86, nxpk= 25, iat= 814, 763, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  25-2:87      51 GLU  HA          2.80    (#     87:25  Single Ambig)
 &rst
  ixpk= 87, nxpk= 25, iat=  -1, 763, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 765, 766, 768, 769,
 &end
#
#    0 AMB  25-2:88      51 GLU  HA          2.80    (#     88:25  Single Ambig)
 &rst
  ixpk= 88, nxpk= 25, iat=  -1, 763, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 765, 766, 768, 769,
 &end
#
#   90 TRP  HB+          90 TRP  HA          2.80    (#     89:25  Unique         2.37, 2.75 A)
 &rst
  ixpk= 89, nxpk= 25, iat=  -1,1310, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1312,1313,
 &end
#
#   70 ALA  MB           90 TRP  HA          2.80    (#     90:25  Unique         2.27, 2.72 A)
 &rst
  ixpk= 90, nxpk= 25, iat=  -1,1310, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1036,1037,1038,
 &end
#
#   22 ALA  MB           19 GLU  HA          2.80    (#     91:25  Unique         2.20, 3.38 A)
 &rst
  ixpk= 91, nxpk= 25, iat=  -1, 308, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 352, 353, 354,
 &end
#
#   32 VAL  MGX          19 GLU  HA          2.80    (#     92:25  Unique         2.04, 4.11 A)
 &rst
  ixpk= 92, nxpk= 25, iat=  -1, 308, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 494, 495, 496, 498, 499, 500,
 &end
#
#   19 GLU  HB+          19 GLU  HA          2.80    (#     93:25  Unique         2.30, 2.77 A)
 &rst
  ixpk= 93, nxpk= 25, iat=  -1, 308, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 310, 311,
 &end
#
#   52 GLU  HG-          52 GLU  HA          3.50    (#     94:25  Unique         2.47, 3.18 A)
 &rst
  ixpk= 94, nxpk= 25, iat=  -1, 778, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 783, 784,
 &end
#
#    3 LYS  HB+          73 TYR  HA          2.80    (#     95:25  Unique         1.99, 2.83 A)
 &rst
  ixpk= 95, nxpk= 25, iat=  -1,1068, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=  47,  48,
 &end
#
#   74 ASP  HN           73 TYR  HA          2.80    (#     96:25  Unique         2.35, 2.47 A)
 &rst
  ixpk= 96, nxpk= 25, iat=1087,1068, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   89 GLU  HN           89 GLU  HA          2.80    (#     97:25  Unique         2.81, 2.84 A)
 &rst
  ixpk= 97, nxpk= 25, iat=1293,1295, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   89 GLU  HB+          89 GLU  HA          2.80    (#     98:25  Unique         2.26, 2.70 A)
 &rst
  ixpk= 98, nxpk= 25, iat=  -1,1295, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1297,1298,
 &end
#
#   89 GLU  HB-          89 GLU  HA          2.80    (#     99:25  Unique         2.26, 2.70 A)
 &rst
  ixpk= 99, nxpk= 25, iat=  -1,1295, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1297,1298,
 &end
#
#   31 ALA  HN           30 ILE  HA          2.80    (#    100:25  Unique         2.16, 2.28 A)
 &rst
  ixpk= 100, nxpk= 25, iat= 478, 461, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  25-2:101     30 ILE  HA          2.80    (#    101:25  Single Ambig)
 &rst
  ixpk= 101, nxpk= 25, iat=  -1, 461, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=   8,   9, 463,
 &end
#
#   30 ILE  QG2          30 ILE  HA          2.80    (#    102:25  Unique         2.15, 3.01 A)
 &rst
  ixpk= 102, nxpk= 25, iat=  -1, 461, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 465, 466, 467,
 &end
#
#   52 GLU  HN           52 GLU  HA          2.80    (#    103:25  Unique         2.81, 2.83 A)
 &rst
  ixpk= 103, nxpk= 25, iat= 776, 778, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   52 GLU  HB+          52 GLU  HA          2.80    (#    104:25  Unique         2.34, 2.74 A)
 &rst
  ixpk= 104, nxpk= 25, iat=  -1, 778, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 780, 781,
 &end
#
#  124 GLU  HB-         121 GLU  HA          2.80    (#    105:25  Unique         2.58, 3.37 A)
 &rst
  ixpk= 105, nxpk= 25, iat=  -1,1820, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1877,1878,
 &end
#
#  121 GLU  HN          121 GLU  HA          2.80    (#    106:25  Unique         2.83, 2.86 A)
 &rst
  ixpk= 106, nxpk= 25, iat=1818,1820, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  124 GLU  HB+         121 GLU  HA          2.80    (#    107:25  Unique         2.58, 3.37 A)
 &rst
  ixpk= 107, nxpk= 25, iat=  -1,1820, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1877,1878,
 &end
#
#   66 GLU  HN           66 GLU  HA          2.80    (#    108:25  Unique         2.79, 2.82 A)
 &rst
  ixpk= 108, nxpk= 25, iat= 969, 971, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   66 GLU  HG+          66 GLU  HA          3.50    (#    109:25  Unique         2.36, 2.79 A)
 &rst
  ixpk= 109, nxpk= 25, iat=  -1, 971, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 976, 977,
 &end
#
#   66 GLU  HB+          66 GLU  HA          2.80    (#    110:25  Unique         2.27, 2.79 A)
 &rst
  ixpk= 110, nxpk= 25, iat=  -1, 971, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 973, 974,
 &end
#
#   23 LYS  HN           23 LYS  HA          2.80    (#    111:25  Unique         2.85, 2.87 A)
 &rst
  ixpk= 111, nxpk= 25, iat= 358, 360, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   23 LYS  HB+          23 LYS  HA          2.80    (#    112:25  Unique         2.31, 2.42 A)
 &rst
  ixpk= 112, nxpk= 25, iat=  -1, 360, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 362, 363,
 &end
#
#  118 GLN  HN          118 GLN  HA          2.80    (#    113:25  Unique         2.84, 2.87 A)
 &rst
  ixpk= 113, nxpk= 25, iat=1763,1765, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  122 ARG  HG-         122 ARG  HA          2.80    (#    114:25  Unique         2.19, 2.97 A)
 &rst
  ixpk= 114, nxpk= 25, iat=  -1,1835, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1840,1841,
 &end
#
#   23 LYS  HB-          23 LYS  HA          2.80    (#    115:25  Unique         2.31, 2.42 A)
 &rst
  ixpk= 115, nxpk= 25, iat=  -1, 360, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 362, 363,
 &end
#
#  109 LEU  HB-         109 LEU  HA          2.80    (#    116:25  Unique         2.46, 2.77 A)
 &rst
  ixpk= 116, nxpk= 25, iat=  -1,1610, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1612,1613,
 &end
#
#  118 GLN  HG+         118 GLN  HA          2.80    (#    117:25  Unique         2.22, 2.84 A)
 &rst
  ixpk= 117, nxpk= 25, iat=  -1,1765, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1770,1771,
 &end
#
#  118 GLN  HG-         118 GLN  HA          2.80    (#    118:25  Unique         2.22, 2.84 A)
 &rst
  ixpk= 118, nxpk= 25, iat=  -1,1765, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1770,1771,
 &end
#
#    0 AMB  25-2:119    118 GLN  HA          2.80    (#    119:25  Single Ambig)
 &rst
  ixpk= 119, nxpk= 25, iat=  -1,1765, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1822,1823,1767,1768,
 &end
#
#  129 LYS  HG+         129 LYS  HA          3.50    (#    120:25  Unique         2.60, 2.82 A)
 &rst
  ixpk= 120, nxpk= 25, iat=  -1,1952, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1957,1958,
 &end
#
#    0 AMB  25-2:121    126 LEU  HA          2.80    (#    121:25  Single Ambig)
 &rst
  ixpk= 121, nxpk= 25, iat=  -1,1904, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1906,1907,1954,1955,
 &end
#
#    0 AMB  25-2:122    126 LEU  HA          2.80    (#    122:25  Single Ambig)
 &rst
  ixpk= 122, nxpk= 25, iat=  -1,1904, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1957,1958,1911,1912,1913,1915,1916,1917,
 &end
#
#    0 AMB  25-2:123    126 LEU  HA          2.80    (#    123:25  Single Ambig)
 &rst
  ixpk= 123, nxpk= 25, iat=  -1,1904, r1= 0.00, r2= 1.80, r3= 3.87, r4= 4.62,
 igr1=1909,1911,1912,1913,1915,1916,1917,
 &end
#
#  109 LEU  MDY         109 LEU  HA          2.80    (#    124:25  Unique         2.25, 3.75 A)
 &rst
  ixpk= 124, nxpk= 25, iat=  -1,1610, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1617,1618,1619,1621,1622,1623,
 &end
#
#  129 LYS  HN          129 LYS  HA          2.80    (#    126:25  Unique         2.86, 2.87 A)
 &rst
  ixpk= 126, nxpk= 25, iat=1950,1952, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  129 LYS  HB+         129 LYS  HA          2.80    (#    127:25  Unique         2.45, 2.75 A)
 &rst
  ixpk= 127, nxpk= 25, iat=  -1,1952, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1954,1955,
 &end
#
#    0 AMB  25-2:128      0 AMB  25-1:128    2.80    (#    128:25  Double Ambig)
 &rst
  ixpk= 128, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 551, 552, 266, 267,
 igr2= 549, 264,
 &end
#
#    0 AMB  25-2:129      0 AMB  25-1:129    2.80    (#    129:25  Double Ambig)
 &rst
  ixpk= 129, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.11, r4= 4.86,
 igr1= 551, 552, 266, 267, 554,
 igr2= 549, 264,
 &end
#
#   37 LEU  MDY          37 LEU  HA          3.50    (#    130:25  Unique         2.31, 4.44 A)
 &rst
  ixpk= 130, nxpk= 25, iat=  -1, 549, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 556, 557, 558, 560, 561, 562,
 &end
#
#   37 LEU  MDX          37 LEU  HA          3.50    (#    131:25  Unique         2.31, 4.44 A)
 &rst
  ixpk= 131, nxpk= 25, iat=  -1, 549, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 556, 557, 558, 560, 561, 562,
 &end
#
#  109 LEU  HN          108 SER  HA          2.80    (#    132:25  Unique         2.33, 2.44 A)
 &rst
  ixpk= 132, nxpk= 25, iat=1608,1599, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   69 ASN  HN           68 PHE  HA          2.80    (#    133:25  Unique         2.31, 2.42 A)
 &rst
  ixpk= 133, nxpk= 25, iat=1018,1000, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   29 LYS  HB+          29 LYS  HA          2.80    (#    134:25  Unique         2.48, 2.76 A)
 &rst
  ixpk= 134, nxpk= 25, iat=  -1, 439, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 441, 442,
 &end
#
#    0 AMB  25-2:135     29 LYS  HA          2.80    (#    135:25  Single Ambig)
 &rst
  ixpk= 135, nxpk= 25, iat=  -1, 439, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 447, 448, 441, 442,
 &end
#
#   29 LYS  HG+          29 LYS  HA          2.80    (#    136:25  Unique         2.92, 3.36 A)
 &rst
  ixpk= 136, nxpk= 25, iat=  -1, 439, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 444, 445,
 &end
#
#   25 LEU  MDY          25 LEU  HA          2.80    (#    137:25  Unique         2.06, 3.79 A)
 &rst
  ixpk= 137, nxpk= 25, iat=  -1, 396, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 403, 404, 405, 407, 408, 409,
 &end
#
#   97 GLU  HN           96 PHE  HA          2.80    (#    138:25  Unique         2.06, 2.11 A)
 &rst
  ixpk= 138, nxpk= 25, iat=1433,1415, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    7 VAL  HN            6 PHE  HA          2.80    (#    139:25  Unique         2.15, 2.23 A)
 &rst
  ixpk= 139, nxpk= 25, iat= 118, 100, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  25-2:140      0 AMB  25-1:140    2.80    (#    140:25  Double Ambig)
 &rst
  ixpk= 140, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 401, 664, 665,
 igr2= 396, 645,
 &end
#
#    0 AMB  25-2:141      0 AMB  25-1:141    2.80    (#    141:25  Double Ambig)
 &rst
  ixpk= 141, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=  28,  29, 398, 399,  50,  51,
 igr2=  23, 396,
 &end
#
#  106 GLY  HN          105 ASP  HA          3.50    (#    142:25  Unique         1.98, 2.20 A)
 &rst
  ixpk= 142, nxpk= 25, iat=1573,1563, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  105 ASP  HB+         105 ASP  HA          2.80    (#    143:25  Unique         2.43, 2.76 A)
 &rst
  ixpk= 143, nxpk= 25, iat=  -1,1563, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1565,1566,
 &end
#
#  103 ASP  HN          102 GLU  HA          2.80    (#    144:25  Unique         2.06, 2.18 A)
 &rst
  ixpk= 144, nxpk= 25, iat=1535,1522, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  102 GLU  HG+         102 GLU  HA          2.80    (#    145:25  Unique         2.23, 2.65 A)
 &rst
  ixpk= 145, nxpk= 25, iat=  -1,1522, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1527,1528,
 &end
#
#   35 CYS  HB-          35 CYS  HA          2.80    (#    146:25  Unique         2.41, 2.55 A)
 &rst
  ixpk= 146, nxpk= 25, iat=  -1, 531, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 533, 534,
 &end
#
#   49 MET  ME           49 MET  HA          2.80    (#    147:25  Unique         2.00, 3.14 A)
 &rst
  ixpk= 147, nxpk= 25, iat=  -1, 729, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 738, 739, 740,
 &end
#
#   44 PRO  HD+          43 HIS  HA          2.80    (#    148:25  Unique         1.99, 2.38 A)
 &rst
  ixpk= 148, nxpk= 25, iat=  -1, 645, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 661, 662,
 &end
#
#    3 LYS  HN            2 LYS  HA          2.80    (#    149:25  Unique         2.17, 2.23 A)
 &rst
  ixpk= 149, nxpk= 25, iat=  43,  23, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   44 PRO  HD-          43 HIS  HA          2.80    (#    150:25  Unique         1.99, 2.38 A)
 &rst
  ixpk= 150, nxpk= 25, iat=  -1, 645, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 661, 662,
 &end
#
#   74 ASP  HB+          74 ASP  HA          2.80    (#    151:25  Unique         2.45, 2.79 A)
 &rst
  ixpk= 151, nxpk= 25, iat=  -1,1089, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1091,1092,
 &end
#
#    0 AMB  25-2:152     74 ASP  HA          2.80    (#    152:25  Single Ambig)
 &rst
  ixpk= 152, nxpk= 25, iat=  -1,1089, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1091,1092,1366,1367,
 &end
#
#  125 ASN  HN          125 ASN  HA          2.80    (#    153:25  Unique         2.84, 2.84 A)
 &rst
  ixpk= 153, nxpk= 25, iat=1888,1890, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  125 ASN  HB-         125 ASN  HA          2.80    (#    154:25  Unique         2.65, 2.85 A)
 &rst
  ixpk= 154, nxpk= 25, iat=  -1,1890, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1892,1893,
 &end
#
#   61 THR  HN           60 GLN  HA          3.50    (#    155:25  Unique         2.21, 2.82 A)
 &rst
  ixpk= 155, nxpk= 25, iat= 899, 884, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   60 GLN  HB+          60 GLN  HA          2.80    (#    156:25  Unique         2.24, 2.69 A)
 &rst
  ixpk= 156, nxpk= 25, iat=  -1, 884, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 886, 887,
 &end
#
#    0 AMB  25-2:157      0 AMB  25-1:157    2.80    (#    157:25  Double Ambig)
 &rst
  ixpk= 157, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 731, 732, 692, 693, 694, 352, 353, 354,
 igr2= 690, 350,
 &end
#
#    4 VAL  HN            3 LYS  HA          2.80    (#    158:25  Unique         2.09, 2.12 A)
 &rst
  ixpk= 158, nxpk= 25, iat=  65,  45, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    3 LYS  HB+           3 LYS  HA          2.80    (#    159:25  Unique         2.30, 2.67 A)
 &rst
  ixpk= 159, nxpk= 25, iat=  -1,  45, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=  47,  48,
 &end
#
#   31 ALA  MB            3 LYS  HA          2.80    (#    160:25  Unique         2.18, 3.30 A)
 &rst
  ixpk= 160, nxpk= 25, iat=  -1,  45, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 482, 483, 484,
 &end
#
#   78 SER  HN           77 ILE  HA          2.80    (#    161:25  Unique         2.16, 2.26 A)
 &rst
  ixpk= 161, nxpk= 25, iat=1150,1133, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   77 ILE  HG1+         77 ILE  HA          4.50    (#    162:25  Unique         3.23, 3.54 A)
 &rst
  ixpk= 162, nxpk= 25, iat=  -1,1133, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1141,1142,
 &end
#
#   77 ILE  QG2          77 ILE  HA          2.80    (#    163:25  Unique         2.53, 3.15 A)
 &rst
  ixpk= 163, nxpk= 25, iat=  -1,1133, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1137,1138,1139,
 &end
#
#    2 LYS  HN            1 MET  HA          2.80    (#    164:25  Unique         2.52, 2.67 A)
 &rst
  ixpk= 164, nxpk= 25, iat=  21,   6, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    1 MET  HB+           1 MET  HA          2.80    (#    165:25  Unique         2.46, 2.83 A)
 &rst
  ixpk= 165, 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    (#    166:25  Unique         2.46, 2.83 A)
 &rst
  ixpk= 166, nxpk= 25, iat=  -1,   6, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=   8,   9,
 &end
#
#  123 VAL  MGX          22 ALA  HA          2.80    (#    167:25  Unique         2.29, 3.86 A)
 &rst
  ixpk= 167, nxpk= 25, iat=  -1, 350, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1863,1864,1865,1867,1868,1869,
 &end
#
#  127 ILE  QD1          22 ALA  HA          2.80    (#    168:25  Unique         2.15, 3.00 A)
 &rst
  ixpk= 168, nxpk= 25, iat=  -1, 350, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1934,1935,1936,
 &end
#
#  123 VAL  MGY          18 ALA  HA          2.80    (#    169:25  Unique         2.12, 4.05 A)
 &rst
  ixpk= 169, nxpk= 25, iat=  -1, 298, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1863,1864,1865,1867,1868,1869,
 &end
#
#  119 VAL  MGX          18 ALA  HA          2.80    (#    170:25  Unique         2.17, 3.99 A)
 &rst
  ixpk= 170, nxpk= 25, iat=  -1, 298, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1786,1787,1788,1790,1791,1792,
 &end
#
#   18 ALA  MB           18 ALA  HA          2.80    (#    171:25  Unique         2.45, 2.72 A)
 &rst
  ixpk= 171, nxpk= 25, iat=  -1, 298, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 300, 301, 302,
 &end
#
#   48 ALA  MB           48 ALA  HA          2.80    (#    172:25  Unique         2.42, 2.65 A)
 &rst
  ixpk= 172, nxpk= 25, iat=  -1, 719, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 721, 722, 723,
 &end
#
#    0 AMB  25-2:173      0 AMB  25-1:173    2.80    (#    173:25  Double Ambig)
 &rst
  ixpk= 173, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 765, 766,1058,1059,
 igr2= 719,1056,
 &end
#
#   72 ASP  HN            0 AMB  25-1:174    2.80    (#    174:25  Single Ambig)
 &rst
  ixpk= 174, nxpk= 25, iat=1054,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1056,1044,
 &end
#
#   72 ASP  HB+          72 ASP  HA          2.80    (#    175:25  Unique         2.46, 2.76 A)
 &rst
  ixpk= 175, nxpk= 25, iat=  -1,1056, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1058,1059,
 &end
#
#   71 ASP  HN           71 ASP  HA          2.80    (#    176:25  Unique         2.80, 2.81 A)
 &rst
  ixpk= 176, nxpk= 25, iat=1042,1044, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   93 GLN  HE2-         71 ASP  HA          2.80    (#    177:25  Unique         2.19, 2.56 A)
 &rst
  ixpk= 177, nxpk= 25, iat=  -1,1044, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1374,1375,
 &end
#
#   71 ASP  HB+          71 ASP  HA          2.80    (#    178:25  Unique         2.26, 2.71 A)
 &rst
  ixpk= 178, nxpk= 25, iat=  -1,1044, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1046,1047,
 &end
#
#   71 ASP  HB-          71 ASP  HA          2.80    (#    179:25  Unique         2.26, 2.71 A)
 &rst
  ixpk= 179, nxpk= 25, iat=  -1,1044, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1046,1047,
 &end
#
#   98 ASP  HN           97 GLU  HA          2.80    (#    180:25  Unique         2.32, 2.39 A)
 &rst
  ixpk= 180, nxpk= 25, iat=1448,1435, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  25-2:181     97 GLU  HA          3.50    (#    181:25  Single Ambig)
 &rst
  ixpk= 181, nxpk= 25, iat=  -1,1435, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1440,1441,1437,1438,
 &end
#
#  128 ALA  HN          128 ALA  HA          2.80    (#    182:25  Unique         2.81, 2.81 A)
 &rst
  ixpk= 182, nxpk= 25, iat=1940,1942, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  128 ALA  MB          128 ALA  HA          2.80    (#    183:25  Unique         2.44, 2.68 A)
 &rst
  ixpk= 183, nxpk= 25, iat=  -1,1942, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1944,1945,1946,
 &end
#
#   70 ALA  MB           70 ALA  HA          2.80    (#    184:25  Unique         2.26, 2.62 A)
 &rst
  ixpk= 184, nxpk= 25, iat=  -1,1034, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1036,1037,1038,
 &end
#
#   39 SER  HN           38 GLU  HA          3.50    (#    185:25  Unique         2.06, 2.92 A)
 &rst
  ixpk= 185, nxpk= 25, iat= 581, 568, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   38 GLU  HB-          38 GLU  HA          2.80    (#    187:25  Unique         2.24, 2.62 A)
 &rst
  ixpk= 187, nxpk= 25, iat=  -1, 568, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 570, 571,
 &end
#
#   27 ALA  HN           27 ALA  HA          2.80    (#    188:25  Unique         2.79, 2.81 A)
 &rst
  ixpk= 188, nxpk= 25, iat= 420, 422, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   27 ALA  MB           27 ALA  HA          2.80    (#    189:25  Unique         2.45, 2.68 A)
 &rst
  ixpk= 189, nxpk= 25, iat=  -1, 422, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 424, 425, 426,
 &end
#
#   94 GLU  HN           93 GLN  HA          2.80    (#    190:25  Unique         2.20, 2.35 A)
 &rst
  ixpk= 190, nxpk= 25, iat=1379,1364, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   93 GLN  HB+          93 GLN  HA          2.80    (#    191:25  Unique         2.40, 2.74 A)
 &rst
  ixpk= 191, nxpk= 25, iat=  -1,1364, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1366,1367,
 &end
#
#   67 ASN  HB+          67 ASN  HA          2.80    (#    193:25  Unique         2.18, 2.50 A)
 &rst
  ixpk= 193, nxpk= 25, iat=  -1, 986, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 988, 989,
 &end
#
#   87 PRO  HD+          86 LEU  HA          2.80    (#    194:25  Unique         2.18, 2.39 A)
 &rst
  ixpk= 194, nxpk= 25, iat=  -1,1248, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1266,1267,
 &end
#
#   87 PRO  HD-          86 LEU  HA          2.80    (#    195:25  Unique         2.18, 2.39 A)
 &rst
  ixpk= 195, nxpk= 25, iat=  -1,1248, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1266,1267,
 &end
#
#   86 LEU  MDX          86 LEU  HA          3.50    (#    196:25  Unique         2.16, 3.84 A)
 &rst
  ixpk= 196, nxpk= 25, iat=  -1,1248, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1255,1256,1257,1259,1260,1261,
 &end
#
#  102 GLU  HN          101 LEU  HA          2.80    (#    197:25  Unique         2.09, 2.49 A)
 &rst
  ixpk= 197, nxpk= 25, iat=1520,1503, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  101 LEU  HB+         101 LEU  HA          2.80    (#    198:25  Unique         2.47, 2.84 A)
 &rst
  ixpk= 198, nxpk= 25, iat=  -1,1503, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1505,1506,
 &end
#
#  101 LEU  MDX         101 LEU  HA          3.50    (#    199:25  Unique         2.17, 3.29 A)
 &rst
  ixpk= 199, nxpk= 25, iat=  -1,1503, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1510,1511,1512,1514,1515,1516,
 &end
#
#    6 PHE  HN            5 MET  HA          2.80    (#    200:25  Unique         2.11, 2.19 A)
 &rst
  ixpk= 200, nxpk= 25, iat=  98,  83, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   86 LEU  HN           85 ASN  HA          3.50    (#    201:25  Unique         2.19, 2.28 A)
 &rst
  ixpk= 201, nxpk= 25, iat=1246,1234, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   70 ALA  HN           69 ASN  HA          2.80    (#    203:25  Unique         2.27, 2.31 A)
 &rst
  ixpk= 203, nxpk= 25, iat=1032,1020, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   69 ASN  HB+          69 ASN  HA          2.80    (#    204:25  Unique         2.30, 2.56 A)
 &rst
  ixpk= 204, nxpk= 25, iat=  -1,1020, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1022,1023,
 &end
#
#   69 ASN  HB-          69 ASN  HA          2.80    (#    205:25  Unique         2.30, 2.56 A)
 &rst
  ixpk= 205, nxpk= 25, iat=  -1,1020, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1022,1023,
 &end
#
#   43 HIS  HA           44 PRO  HD+         2.80    (#    206:25  Unique         1.99, 2.38 A)
 &rst
  ixpk= 206, nxpk= 25, iat= 645,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 661, 662,
 &end
#
#   31 ALA  MB           31 ALA  HA          2.80    (#    209:25  Unique         2.43, 2.68 A)
 &rst
  ixpk= 209, nxpk= 25, iat=  -1, 480, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 482, 483, 484,
 &end
#
#    0 AMB  25-2:210      0 AMB  25-1:210    2.80    (#    210:25  Double Ambig)
 &rst
  ixpk= 210, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1272,1273,1283,1284,
 igr2=1280,1281,1280,1281,
 &end
#
#  104 PRO  HD+         103 ASP  HA          2.80    (#    211:25  Unique         1.90, 2.46 A)
 &rst
  ixpk= 211, nxpk= 25, iat=  -1,1537, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1548,1549,
 &end
#
#  104 PRO  HD-         103 ASP  HA          2.80    (#    212:25  Unique         1.90, 2.46 A)
 &rst
  ixpk= 212, nxpk= 25, iat=  -1,1537, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1548,1549,
 &end
#
#   57 ILE  QG2          20 GLY  HA+         2.80    (#    219:25  Unique         2.56, 3.38 A)
 &rst
  ixpk= 219, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 851, 852, 853,
 igr2= 323, 324,
 &end
#
#    0 AMB  25-2:220      0 AMB  25-1:220    2.80    (#    220:25  Double Ambig)
 &rst
  ixpk= 220, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1756,1763,
 igr2=1758,1759,1758,1759,
 &end
#
#    0 AMB  25-2:222    117 GLY  HA-         2.80    (#    222:25  Single Ambig)
 &rst
  ixpk= 222, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1756,1763,
 igr2=1758,1759,
 &end
#
#   54 GLY  HN           54 GLY  HA+         2.80    (#    224:25  Unique         2.25, 2.56 A)
 &rst
  ixpk= 224, nxpk= 25, iat= 807,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 809, 810,
 &end
#
#   54 GLY  HN           54 GLY  HA-         2.80    (#    226:25  Unique         2.25, 2.56 A)
 &rst
  ixpk= 226, nxpk= 25, iat= 807,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 809, 810,
 &end
#
#   26 GLY  HN           26 GLY  HA+         2.80    (#    233:25  Unique         2.24, 2.60 A)
 &rst
  ixpk= 233, nxpk= 25, iat= 413,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 415, 416,
 &end
#
#    0 AMB  25-2:235      0 AMB  25-1:235    2.80    (#    235:25  Double Ambig)
 &rst
  ixpk= 235, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1= 472, 473, 474,1934,1935,1936,
 igr2= 415, 416, 415, 416,
 &end
#
#   26 GLY  HN           26 GLY  HA-         2.80    (#    236:25  Unique         2.24, 2.60 A)
 &rst
  ixpk= 236, nxpk= 25, iat= 413,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 415, 416,
 &end
#
#    0 AMB  25-2:238     26 GLY  HA-         2.80    (#    238:25  Single Ambig)
 &rst
  ixpk= 238, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 472, 473, 474,1934,1935,1936,
 igr2= 415, 416,
 &end
#
#   74 ASP  HA           74 ASP  HB+         2.80    (#    239:25  Unique         2.45, 2.79 A)
 &rst
  ixpk= 239, nxpk= 25, iat=1089,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1091,1092,
 &end
#
#   10 ARG  HG-          10 ARG  HD+         2.80    (#    248:25  Unique         2.25, 2.68 A)
 &rst
  ixpk= 248, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 174, 175,
 igr2= 177, 178,
 &end
#
#   41 ARG  HB-          41 ARG  HD+         2.80    (#    250:25  Unique         2.18, 3.29 A)
 &rst
  ixpk= 250, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 607, 608,
 igr2= 613, 614,
 &end
#
#   41 ARG  HB+          41 ARG  HD+         2.80    (#    251:25  Unique         2.18, 3.29 A)
 &rst
  ixpk= 251, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 607, 608,
 igr2= 613, 614,
 &end
#
#   41 ARG  HG+          41 ARG  HD+         2.80    (#    252:25  Unique         2.24, 2.71 A)
 &rst
  ixpk= 252, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 610, 611,
 igr2= 613, 614,
 &end
#
#   31 ALA  HN           30 ILE  HB          2.80    (#    257:25  Unique         2.14, 2.43 A)
 &rst
  ixpk= 257, nxpk= 25, iat= 478, 463, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   30 ILE  HA           30 ILE  HB          2.80    (#    258:25  Unique         2.44, 2.49 A)
 &rst
  ixpk= 258, nxpk= 25, iat= 461, 463, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  25-2:260      0 AMB  25-1:260    3.50    (#    260:25  Double Ambig)
 &rst
  ixpk= 260, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 441, 442, 447, 448,
 igr2=  34,  35,  34,  35,
 &end
#
#    2 LYS  HG-           2 LYS  HE+         2.80    (#    261:25  Unique         2.44, 3.51 A)
 &rst
  ixpk= 261, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=  28,  29,
 igr2=  34,  35,
 &end
#
#    0 AMB  25-2:264      0 AMB  25-1:264    2.80    (#    264:25  Double Ambig)
 &rst
  ixpk= 264, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.88, r4= 5.63,
 igr1=1911,1912,1913,1915,1916,1917,1909,
 igr2=1906,1907,1906,1907,
 &end
#
#    0 AMB  25-2:267      0 AMB  25-1:267    2.80    (#    267:25  Double Ambig)
 &rst
  ixpk= 267, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=1911,1912,1913,1915,1916,1917,1840,1841,1909,
 igr2=1906,1907,1843,1844,
 &end
#
#   30 ILE  HG1+         30 ILE  HB          2.80    (#    269:25  Unique         2.49, 2.83 A)
 &rst
  ixpk= 269, nxpk= 25, iat=  -1, 463, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 469, 470,
 &end
#
#    2 LYS  HB+           2 LYS  HE+         3.50    (#    270:25  Unique         2.39, 3.56 A)
 &rst
  ixpk= 270, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=  25,  26,
 igr2=  34,  35,
 &end
#
#    0 AMB  25-2:271      0 AMB  25-1:271    2.80    (#    271:25  Double Ambig)
 &rst
  ixpk= 271, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=  31,  32,1957,1958,1404,1405,
 igr2=  34,  35,1963,1964,1963,1964,
 &end
#
#    0 AMB  25-2:272      0 AMB  25-1:272    2.80    (#    272:25  Double Ambig)
 &rst
  ixpk= 272, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.44, r4= 6.19,
 igr1= 465, 466, 467,1407,1408,1409,1400,1401,1402,
 igr2=  34,  35,1963,1964,1963,1964,
 &end
#
#    0 AMB  25-2:273      0 AMB  25-1:273    2.80    (#    273:25  Double Ambig)
 &rst
  ixpk= 273, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1960,1961, 447, 448,
 igr2=1963,1964, 450, 451,
 &end
#
#  129 LYS  HD+         129 LYS  HE-         2.80    (#    275:25  Unique         2.33, 2.69 A)
 &rst
  ixpk= 275, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1960,1961,
 igr2=1963,1964,
 &end
#
#    0 AMB  25-2:276      0 AMB  25-1:276    2.80    (#    276:25  Double Ambig)
 &rst
  ixpk= 276, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1800,1801,1806,1807,
 igr2=1809,1810,1809,1810,
 &end
#
#    0 AMB  25-2:277    120 LYS  HE-         2.80    (#    277:25  Single Ambig)
 &rst
  ixpk= 277, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1806,1807,1806,1807,
 igr2=1809,1810,
 &end
#
#    0 AMB  25-2:278      0 AMB  25-1:278    2.80    (#    278:25  Double Ambig)
 &rst
  ixpk= 278, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
 igr1= 403, 404, 405, 407, 408, 409,1863,1864,1865,1867,
      1868,1869,
 igr2= 398, 399, 398, 399,
 &end
#
#    3 LYS  HD+           3 LYS  HE+         2.80    (#    279:25  Unique         2.36, 2.77 A)
 &rst
  ixpk= 279, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=  53,  54,
 igr2=  56,  57,
 &end
#
#   75 VAL  HA           95 ILE  HB          2.80    (#    283:25  Unique         2.81, 2.89 A)
 &rst
  ixpk= 283, nxpk= 25, iat=1101,1398, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  25-2:284     95 ILE  HB          2.80    (#    284:25  Single Ambig)
 &rst
  ixpk= 284, nxpk= 25, iat=  -1,1398, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1105,1106,1107,1109,1110,1111,1400,1401,1402,1407,
      1408,1409,
 &end
#
#  109 LEU  MDX         109 LEU  HB+         2.80    (#    287:25  Unique         2.41, 3.37 A)
 &rst
  ixpk= 287, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1617,1618,1619,1621,1622,1623,
 igr2=1612,1613,
 &end
#
#  109 LEU  MDX         109 LEU  HB-         2.80    (#    289:25  Unique         2.41, 3.37 A)
 &rst
  ixpk= 289, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1617,1618,1619,1621,1622,1623,
 igr2=1612,1613,
 &end
#
#   55 ILE  QG2          55 ILE  HB          2.80    (#    292:25  Unique         2.41, 2.67 A)
 &rst
  ixpk= 292, nxpk= 25, iat=  -1, 818, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 820, 821, 822,
 &end
#
#    0 AMB  25-2:294      0 AMB  25-1:294    2.80    (#    294:25  Double Ambig)
 &rst
  ixpk= 294, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1054,1066,
 igr2=1058,1059,1058,1059,
 &end
#
#   71 ASP  HN           71 ASP  HB+         3.50    (#    295:25  Unique         2.05, 2.50 A)
 &rst
  ixpk= 295, nxpk= 25, iat=1042,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1046,1047,
 &end
#
#   71 ASP  HA           71 ASP  HB+         2.80    (#    296:25  Unique         2.26, 2.71 A)
 &rst
  ixpk= 296, nxpk= 25, iat=1044,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1046,1047,
 &end
#
#   71 ASP  HN           71 ASP  HB-         2.80    (#    298:25  Unique         2.05, 2.50 A)
 &rst
  ixpk= 298, nxpk= 25, iat=1042,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1046,1047,
 &end
#
#   71 ASP  HA           71 ASP  HB-         2.80    (#    299:25  Unique         2.26, 2.71 A)
 &rst
  ixpk= 299, nxpk= 25, iat=1044,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1046,1047,
 &end
#
#   72 ASP  HA           72 ASP  HB-         2.80    (#    301:25  Unique         2.46, 2.76 A)
 &rst
  ixpk= 301, nxpk= 25, iat=1056,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1058,1059,
 &end
#
#   69 ASN  HA           69 ASN  HB-         2.80    (#    312:25  Unique         2.30, 2.56 A)
 &rst
  ixpk= 312, nxpk= 25, iat=1020,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1022,1023,
 &end
#
#    0 AMB  25-2:313      0 AMB  25-1:313    2.80    (#    313:25  Double Ambig)
 &rst
  ixpk= 313, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
 igr1=1863,1864,1865,1867,1868,1869, 403, 404, 405, 407,
       408, 409,
 igr2= 332, 333, 332, 333,
 &end
#
#    0 AMB  25-2:316     65 ILE  HB          2.80    (#    316:25  Single Ambig)
 &rst
  ixpk= 316, nxpk= 25, iat=  -1, 954, r1= 0.00, r2= 1.80, r3= 3.66, r4= 4.41,
 igr1= 960, 961, 956, 957, 958,
 &end
#
#   65 ILE  QD1          65 ILE  HB          2.80    (#    317:25  Unique         2.46, 3.23 A)
 &rst
  ixpk= 317, nxpk= 25, iat=  -1, 954, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 963, 964, 965,
 &end
#
#  125 ASN  HN          125 ASN  HB+         2.80    (#    318:25  Unique         2.24, 2.91 A)
 &rst
  ixpk= 318, nxpk= 25, iat=1888,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1892,1893,
 &end
#
#  125 ASN  HA          125 ASN  HB+         2.80    (#    319:25  Unique         2.65, 2.85 A)
 &rst
  ixpk= 319, nxpk= 25, iat=1890,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1892,1893,
 &end
#
#  130 ILE  HA          130 ILE  HB          2.80    (#    320:25  Unique         2.49, 2.69 A)
 &rst
  ixpk= 320, nxpk= 25, iat=1974,1976, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  130 ILE  HG1+        130 ILE  HB          2.80    (#    321:25  Unique         2.25, 2.72 A)
 &rst
  ixpk= 321, nxpk= 25, iat=  -1,1976, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1982,1983,
 &end
#
#  130 ILE  HG1-        130 ILE  HB          2.80    (#    322:25  Unique         2.25, 2.72 A)
 &rst
  ixpk= 322, nxpk= 25, iat=  -1,1976, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1982,1983,
 &end
#
#    0 AMB  25-2:323    130 ILE  HB          2.80    (#    323:25  Single Ambig)
 &rst
  ixpk= 323, nxpk= 25, iat=  -1,1976, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 465, 466, 467,1978,1979,1980,
 &end
#
#  130 ILE  QD1         130 ILE  HB          2.80    (#    324:25  Unique         2.37, 3.14 A)
 &rst
  ixpk= 324, nxpk= 25, iat=  -1,1976, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1985,1986,1987,
 &end
#
#  125 ASN  HN          125 ASN  HB-         2.80    (#    325:25  Unique         2.24, 2.91 A)
 &rst
  ixpk= 325, nxpk= 25, iat=1888,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1892,1893,
 &end
#
#  125 ASN  HA          125 ASN  HB-         2.80    (#    326:25  Unique         2.65, 2.85 A)
 &rst
  ixpk= 326, nxpk= 25, iat=1890,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1892,1893,
 &end
#
#   57 ILE  QG2          57 ILE  HB          2.80    (#    327:25  Unique         2.20, 2.65 A)
 &rst
  ixpk= 327, nxpk= 25, iat=  -1, 849, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 851, 852, 853,
 &end
#
#  124 GLU  HN          124 GLU  HG+         4.50    (#    328:25  Unique         4.27, 4.35 A)
 &rst
  ixpk= 328, nxpk= 25, iat=1873,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1880,1881,
 &end
#
#  124 GLU  HB-         124 GLU  HG-         2.80    (#    330:25  Unique         2.40, 2.74 A)
 &rst
  ixpk= 330, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1877,1878,
 igr2=1880,1881,
 &end
#
#  124 GLU  HB-         124 GLU  HG+         2.80    (#    332:25  Unique         2.40, 2.74 A)
 &rst
  ixpk= 332, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1877,1878,
 igr2=1880,1881,
 &end
#
#  127 ILE  HN          127 ILE  HB          2.80    (#    333:25  Unique         2.05, 2.08 A)
 &rst
  ixpk= 333, nxpk= 25, iat=1921,1925, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  127 ILE  QG2         127 ILE  HB          2.80    (#    334:25  Unique         2.35, 2.62 A)
 &rst
  ixpk= 334, nxpk= 25, iat=  -1,1925, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1927,1928,1929,
 &end
#
#  108 SER  HB-         110 GLU  HG+         3.50    (#    337:25  Unique         2.78, 4.54 A)
 &rst
  ixpk= 337, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1601,1602,
 igr2=1634,1635,
 &end
#
#    0 AMB  25-2:338      0 AMB  25-1:338    2.80    (#    338:25  Double Ambig)
 &rst
  ixpk= 338, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 763,1381,
 igr2= 768, 769,1386,1387,
 &end
#
#    0 AMB  25-2:339      0 AMB  25-1:339    2.80    (#    339:25  Double Ambig)
 &rst
  ixpk= 339, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 763,1381,
 igr2= 768, 769,1386,1387,
 &end
#
#   38 GLU  HB-          38 GLU  HG+         2.80    (#    340:25  Unique         2.29, 2.72 A)
 &rst
  ixpk= 340, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 570, 571,
 igr2= 573, 574,
 &end
#
#   70 ALA  MB           89 GLU  HG+         3.50    (#    341:25  Unique         3.76, 5.28 A)
 &rst
  ixpk= 341, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1036,1037,1038,
 igr2=1300,1301,
 &end
#
#  102 GLU  HA          102 GLU  HG+         2.80    (#    342:25  Unique         2.23, 2.65 A)
 &rst
  ixpk= 342, nxpk= 25, iat=1522,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1527,1528,
 &end
#
#  101 LEU  HB-         102 GLU  HG+         4.50    (#    343:25  Unique         4.43, 5.98 A)
 &rst
  ixpk= 343, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1505,1506,
 igr2=1527,1528,
 &end
#
#   76 VAL  MGX          76 VAL  HB          2.80    (#    350:25  Unique         2.32, 2.66 A)
 &rst
  ixpk= 350, nxpk= 25, iat=  -1,1119, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1121,1122,1123,1125,1126,1127,
 &end
#
#   76 VAL  MGY          76 VAL  HB          2.80    (#    351:25  Unique         2.32, 2.66 A)
 &rst
  ixpk= 351, nxpk= 25, iat=  -1,1119, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1121,1122,1123,1125,1126,1127,
 &end
#
#    0 AMB  25-2:352      0 AMB  25-1:352    2.80    (#    352:25  Double Ambig)
 &rst
  ixpk= 352, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 439,1101,
 igr2= 441, 442,1103,
 &end
#
#   29 LYS  HG+          29 LYS  HB+         2.80    (#    354:25  Unique         2.36, 2.61 A)
 &rst
  ixpk= 354, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 444, 445,
 igr2= 441, 442,
 &end
#
#   75 VAL  MGX          75 VAL  HB          2.80    (#    355:25  Unique         2.26, 2.63 A)
 &rst
  ixpk= 355, nxpk= 25, iat=  -1,1103, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1105,1106,1107,1109,1110,1111,
 &end
#
#   29 LYS  HG+          29 LYS  HB-         2.80    (#    357:25  Unique         2.36, 2.61 A)
 &rst
  ixpk= 357, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 444, 445,
 igr2= 441, 442,
 &end
#
#    7 VAL  MGX           7 VAL  HB          2.80    (#    358:25  Unique         2.38, 2.66 A)
 &rst
  ixpk= 358, nxpk= 25, iat=  -1, 122, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 124, 125, 126, 128, 129, 130,
 &end
#
#    7 VAL  MGY           7 VAL  HB          2.80    (#    359:25  Unique         2.38, 2.66 A)
 &rst
  ixpk= 359, nxpk= 25, iat=  -1, 122, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 124, 125, 126, 128, 129, 130,
 &end
#
#   32 VAL  HN           32 VAL  HB          2.80    (#    361:25  Unique         2.47, 2.73 A)
 &rst
  ixpk= 361, nxpk= 25, iat= 488, 492, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   32 VAL  MGX          32 VAL  HB          2.80    (#    362:25  Unique         2.29, 2.64 A)
 &rst
  ixpk= 362, nxpk= 25, iat=  -1, 492, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 494, 495, 496, 498, 499, 500,
 &end
#
#   32 VAL  MGY          32 VAL  HB          2.80    (#    363:25  Unique         2.29, 2.64 A)
 &rst
  ixpk= 363, nxpk= 25, iat=  -1, 492, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 494, 495, 496, 498, 499, 500,
 &end
#
#    0 AMB  25-2:364     75 VAL  HB          2.80    (#    364:25  Single Ambig)
 &rst
  ixpk= 364, nxpk= 25, iat=  -1,1103, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=  71,  72,  73,  75,  76,  77,1105,1106,1107,1109,
      1110,1111,
 &end
#
#    4 VAL  HA           75 VAL  HB          2.80    (#    365:25  Unique         2.34, 2.53 A)
 &rst
  ixpk= 365, nxpk= 25, iat=  67,1103, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    4 VAL  HN            4 VAL  HB          2.80    (#    369:25  Unique         2.61, 2.69 A)
 &rst
  ixpk= 369, nxpk= 25, iat=  65,  69, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    4 VAL  MGY           4 VAL  HB          2.80    (#    370:25  Unique         2.34, 2.68 A)
 &rst
  ixpk= 370, nxpk= 25, iat=  -1,  69, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=  71,  72,  73,  75,  76,  77,
 &end
#
#    4 VAL  MGX           4 VAL  HB          2.80    (#    371:25  Unique         2.34, 2.68 A)
 &rst
  ixpk= 371, nxpk= 25, iat=  -1,  69, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=  71,  72,  73,  75,  76,  77,
 &end
#
#   97 GLU  HG+          97 GLU  HB-         2.80    (#    376:25  Unique         2.29, 2.69 A)
 &rst
  ixpk= 376, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1440,1441,
 igr2=1437,1438,
 &end
#
#  118 GLN  HB-         118 GLN  HG-         2.80    (#    379:25  Unique         2.31, 2.76 A)
 &rst
  ixpk= 379, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1767,1768,
 igr2=1770,1771,
 &end
#
#   38 GLU  HA           38 GLU  HB+         2.80    (#    382:25  Unique         2.24, 2.62 A)
 &rst
  ixpk= 382, nxpk= 25, iat= 568,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 570, 571,
 &end
#
#    1 MET  HG-           1 MET  HB+         2.80    (#    385:25  Unique         2.29, 2.57 A)
 &rst
  ixpk= 385, 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    (#    387:25  Unique         2.29, 2.57 A)
 &rst
  ixpk= 387, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=  11,  12,
 igr2=   8,   9,
 &end
#
#    0 AMB  25-2:391      0 AMB  25-1:391    2.80    (#    391:25  Double Ambig)
 &rst
  ixpk= 391, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1960,1961,1366,1367,
 igr2=1954,1955,1369,1370,
 &end
#
#  129 LYS  HN          129 LYS  HB+         2.80    (#    392:25  Unique         2.46, 3.06 A)
 &rst
  ixpk= 392, nxpk= 25, iat=1950,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1954,1955,
 &end
#
#  129 LYS  HA          129 LYS  HB+         2.80    (#    393:25  Unique         2.45, 2.75 A)
 &rst
  ixpk= 393, nxpk= 25, iat=1952,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1954,1955,
 &end
#
#  129 LYS  HG+         129 LYS  HB+         2.80    (#    395:25  Unique         2.41, 2.77 A)
 &rst
  ixpk= 395, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1957,1958,
 igr2=1954,1955,
 &end
#
#    0 AMB  25-2:396     84 VAL  HB          2.80    (#    396:25  Single Ambig)
 &rst
  ixpk= 396, nxpk= 25, iat=  -1,1220, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1222,1223,1224,1226,1227,1228,1222,1223,1224,1226,
      1227,1228,1255,1256,1257,1259,1260,1261,
 &end
#
#   44 PRO  HA           44 PRO  HB+         2.80    (#    400:25  Unique         2.22, 2.54 A)
 &rst
  ixpk= 400, nxpk= 25, iat= 670,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 667, 668,
 &end
#
#   88 PRO  HA           88 PRO  HB+         2.80    (#    402:25  Unique         2.25, 2.67 A)
 &rst
  ixpk= 402, nxpk= 25, iat=1289,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1286,1287,
 &end
#
#   88 PRO  HG+          88 PRO  HB+         2.80    (#    403:25  Unique         2.38, 2.63 A)
 &rst
  ixpk= 403, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1283,1284,
 igr2=1286,1287,
 &end
#
#    0 AMB  25-2:406      0 AMB  25-1:406    2.80    (#    406:25  Double Ambig)
 &rst
  ixpk= 406, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 670, 360,
 igr2= 667, 668, 362, 363,
 &end
#
#   88 PRO  HA           88 PRO  HB-         2.80    (#    408:25  Unique         2.25, 2.67 A)
 &rst
  ixpk= 408, nxpk= 25, iat=1289,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1286,1287,
 &end
#
#    0 AMB  25-2:410      0 AMB  25-1:410    2.80    (#    410:25  Double Ambig)
 &rst
  ixpk= 410, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1=1280,1281, 229,
 igr2=1286,1287,1720,
 &end
#
#  115 VAL  HN          115 VAL  HB          2.80    (#    411:25  Unique         2.20, 2.42 A)
 &rst
  ixpk= 411, nxpk= 25, iat=1716,1720, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  25-2:412    115 VAL  HB          2.80    (#    412:25  Single Ambig)
 &rst
  ixpk= 412, nxpk= 25, iat=  -1,1720, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1722,1723,1724,1726,1727,1728,1722,1723,1724,1726,
      1727,1728,
 &end
#
#  119 VAL  HN          119 VAL  HB          2.80    (#    417:25  Unique         2.20, 2.32 A)
 &rst
  ixpk= 417, nxpk= 25, iat=1780,1784, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  119 VAL  MGY         119 VAL  HB          2.80    (#    418:25  Unique         2.40, 2.66 A)
 &rst
  ixpk= 418, nxpk= 25, iat=  -1,1784, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1786,1787,1788,1790,1791,1792,
 &end
#
#   87 PRO  HG-          87 PRO  HB+         2.80    (#    422:25  Unique         2.28, 2.61 A)
 &rst
  ixpk= 422, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1269,1270,
 igr2=1272,1273,
 &end
#
#    0 AMB  25-2:423    123 VAL  HB          2.80    (#    423:25  Single Ambig)
 &rst
  ixpk= 423, nxpk= 25, iat=  -1,1861, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1857,1873,
 &end
#
#  111 VAL  HN          111 VAL  HB          2.80    (#    424:25  Unique         2.48, 2.57 A)
 &rst
  ixpk= 424, nxpk= 25, iat=1642,1646, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  123 VAL  MGY         123 VAL  HB          2.80    (#    425:25  Unique         2.31, 2.64 A)
 &rst
  ixpk= 425, nxpk= 25, iat=  -1,1861, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1863,1864,1865,1867,1868,1869,
 &end
#
#    0 AMB  25-2:426      0 AMB  25-1:426    2.80    (#    426:25  Double Ambig)
 &rst
  ixpk= 426, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.88, r4= 5.63,
 igr1=1786,1787,1788,1790,1791,1792, 403, 404, 405, 407,
       408, 409,1554,1555,
 igr2=1861,1646,
 &end
#
#  111 VAL  MGX         111 VAL  HB          2.80    (#    427:25  Unique         2.39, 2.68 A)
 &rst
  ixpk= 427, nxpk= 25, iat=  -1,1646, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1648,1649,1650,1652,1653,1654,
 &end
#
#    0 AMB  25-2:428     42 VAL  HB          2.80    (#    428:25  Single Ambig)
 &rst
  ixpk= 428, nxpk= 25, iat=  -1, 631, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 711, 712, 713, 633, 634, 635, 637, 638, 639,
 &end
#
#   91 VAL  HA           91 VAL  HB          2.80    (#    429:25  Unique         2.36, 2.55 A)
 &rst
  ixpk= 429, nxpk= 25, iat=1334,1336, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   91 VAL  MGY          91 VAL  HB          2.80    (#    430:25  Unique         2.38, 2.65 A)
 &rst
  ixpk= 430, nxpk= 25, iat=  -1,1336, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1338,1339,1340,1342,1343,1344,
 &end
#
#   91 VAL  MGX          91 VAL  HB          2.80    (#    431:25  Unique         2.38, 2.65 A)
 &rst
  ixpk= 431, nxpk= 25, iat=  -1,1336, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1338,1339,1340,1342,1343,1344,
 &end
#
#  104 PRO  HG-         104 PRO  HB-         3.50    (#    432:25  Unique         2.37, 2.65 A)
 &rst
  ixpk= 432, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1551,1552,
 igr2=1554,1555,
 &end
#
#   53 VAL  MGY          53 VAL  HB          2.80    (#    434:25  Unique         2.34, 2.64 A)
 &rst
  ixpk= 434, nxpk= 25, iat=  -1, 795, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 797, 798, 799, 801, 802, 803,
 &end
#
#    0 AMB  25-2:437      0 AMB  25-1:437    2.80    (#    437:25  Double Ambig)
 &rst
  ixpk= 437, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1=1934,1935,1936, 472, 473, 474,
 igr2=1931,1932,1931,1932,
 &end
#
#  102 GLU  HG+         102 GLU  HB-         2.80    (#    440:25  Unique         2.33, 2.74 A)
 &rst
  ixpk= 440, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1527,1528,
 igr2=1524,1525,
 &end
#
#  121 GLU  HN          121 GLU  HB+         2.80    (#    442:25  Unique         1.94, 3.08 A)
 &rst
  ixpk= 442, nxpk= 25, iat=1818,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1822,1823,
 &end
#
#  121 GLU  HA          121 GLU  HB+         2.80    (#    443:25  Unique         2.35, 2.77 A)
 &rst
  ixpk= 443, nxpk= 25, iat=1820,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1822,1823,
 &end
#
#  121 GLU  HN          121 GLU  HB-         2.80    (#    444:25  Unique         1.94, 3.08 A)
 &rst
  ixpk= 444, nxpk= 25, iat=1818,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1822,1823,
 &end
#
#  121 GLU  HA            0 AMB  25-1:445    2.80    (#    445:25  Single Ambig)
 &rst
  ixpk= 445, nxpk= 25, iat=1820,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2=1822,1823,1877,1878,
 &end
#
#    0 AMB  25-2:447      0 AMB  25-1:447    2.80    (#    447:25  Double Ambig)
 &rst
  ixpk= 447, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
 igr1= 711, 712, 713,1510,1511,1512,1514,1515,1516, 633,
       634, 635, 637, 638, 639,
 igr2= 708, 709,1524,1525,
 &end
#
#  129 LYS  HB+         129 LYS  HD+         2.80    (#    449:25  Unique         2.27, 2.92 A)
 &rst
  ixpk= 449, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1954,1955,
 igr2=1960,1961,
 &end
#
#    0 AMB  25-2:450      0 AMB  25-1:450    2.80    (#    450:25  Double Ambig)
 &rst
  ixpk= 450, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1= 704, 705, 706,1407,1408,1409,
 igr2= 708, 709,1960,1961,
 &end
#
#  129 LYS  HE+         129 LYS  HD+         2.80    (#    451:25  Unique         2.33, 2.69 A)
 &rst
  ixpk= 451, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1963,1964,
 igr2=1960,1961,
 &end
#
#    0 AMB  25-2:458      0 AMB  25-1:458    2.80    (#    458:25  Double Ambig)
 &rst
  ixpk= 458, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1680,1875,
 igr2=1682,1683,1877,1878,
 &end
#
#   94 GLU  HN           94 GLU  HB-         2.80    (#    462:25  Unique         2.01, 2.58 A)
 &rst
  ixpk= 462, nxpk= 25, iat=1379,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1383,1384,
 &end
#
#   94 GLU  HA           94 GLU  HB-         2.80    (#    463:25  Unique         2.24, 2.64 A)
 &rst
  ixpk= 463, nxpk= 25, iat=1381,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1383,1384,
 &end
#
#    0 AMB  25-2:464      0 AMB  25-1:464    2.80    (#    464:25  Double Ambig)
 &rst
  ixpk= 464, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=  34,  35, 450, 451,
 igr2=  31,  32, 447, 448,
 &end
#
#    3 LYS  HE+           3 LYS  HD+         2.80    (#    468:25  Unique         2.36, 2.77 A)
 &rst
  ixpk= 468, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=  56,  57,
 igr2=  53,  54,
 &end
#
#    3 LYS  HB+           3 LYS  HD+         2.80    (#    469:25  Unique         2.59, 3.36 A)
 &rst
  ixpk= 469, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=  47,  48,
 igr2=  53,  54,
 &end
#
#   66 GLU  HN           66 GLU  HB+         2.80    (#    471:25  Unique         2.16, 2.87 A)
 &rst
  ixpk= 471, nxpk= 25, iat= 969,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 973, 974,
 &end
#
#   66 GLU  HA           66 GLU  HB+         2.80    (#    472:25  Unique         2.27, 2.79 A)
 &rst
  ixpk= 472, nxpk= 25, iat= 971,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 973, 974,
 &end
#
#    0 AMB  25-2:476      0 AMB  25-1:476    2.80    (#    476:25  Double Ambig)
 &rst
  ixpk= 476, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.71, r4= 6.46,
 igr1=1407,1408,1409,1400,1401,1402,1105,1106,1107,1109,
      1110,1111,
 igr2=1404,1405,1404,1405,1404,1405,
 &end
#
#   89 GLU  HG+          89 GLU  HB+         2.80    (#    477:25  Unique         2.26, 2.54 A)
 &rst
  ixpk= 477, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1300,1301,
 igr2=1297,1298,
 &end
#
#    0 AMB  25-2:479     86 LEU  HG          2.80    (#    479:25  Single Ambig)
 &rst
  ixpk= 479, nxpk= 25, iat=  -1,1253, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1222,1223,1224,1226,1227,1228,1222,1223,1224,1226,
      1227,1228,1255,1256,1257,1259,1260,1261,
 &end
#
#    0 AMB  25-2:480     95 ILE  HG1-        2.80    (#    480:25  Single Ambig)
 &rst
  ixpk= 480, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1=1407,1408,1409,1400,1401,1402,1105,1106,1107,1109,
      1110,1111,
 igr2=1404,1405,
 &end
#
#   88 PRO  HD+          88 PRO  HG+         2.80    (#    483:25  Unique         2.34, 2.61 A)
 &rst
  ixpk= 483, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1280,1281,
 igr2=1283,1284,
 &end
#
#   88 PRO  HD+          88 PRO  HG-         2.80    (#    484:25  Unique         2.34, 2.61 A)
 &rst
  ixpk= 484, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1280,1281,
 igr2=1283,1284,
 &end
#
#   25 LEU  HN           25 LEU  HG          2.80    (#    485:25  Unique         2.51, 2.56 A)
 &rst
  ixpk= 485, nxpk= 25, iat= 394, 401, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   25 LEU  HB+          25 LEU  HG          2.80    (#    486:25  Unique         2.43, 2.74 A)
 &rst
  ixpk= 486, nxpk= 25, iat=  -1, 401, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 398, 399,
 &end
#
#   25 LEU  MDY          25 LEU  HG          2.80    (#    487:25  Unique         2.43, 2.68 A)
 &rst
  ixpk= 487, nxpk= 25, iat=  -1, 401, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 403, 404, 405, 407, 408, 409,
 &end
#
#   24 THR  HB           25 LEU  HG          3.50    (#    488:25  Unique         3.32, 3.42 A)
 &rst
  ixpk= 488, nxpk= 25, iat= 384, 401, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   89 GLU  HG+          89 GLU  HB-         2.80    (#    489:25  Unique         2.26, 2.54 A)
 &rst
  ixpk= 489, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1300,1301,
 igr2=1297,1298,
 &end
#
#  119 VAL  MGY         101 LEU  HG          3.50    (#    492:25  Unique         2.31, 4.38 A)
 &rst
  ixpk= 492, nxpk= 25, iat=  -1,1508, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1786,1787,1788,1790,1791,1792,
 &end
#
#   55 ILE  QD1          55 ILE  HG1-        2.80    (#    494:25  Unique         2.34, 2.63 A)
 &rst
  ixpk= 494, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 827, 828, 829,
 igr2= 824, 825,
 &end
#
#  109 LEU  MDY         109 LEU  HG          2.80    (#    496:25  Unique         2.40, 2.66 A)
 &rst
  ixpk= 496, nxpk= 25, iat=  -1,1615, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1617,1618,1619,1621,1622,1623,
 &end
#
#  109 LEU  MDX         109 LEU  HG          2.80    (#    497:25  Unique         2.40, 2.66 A)
 &rst
  ixpk= 497, nxpk= 25, iat=  -1,1615, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1617,1618,1619,1621,1622,1623,
 &end
#
#  109 LEU  HB-         109 LEU  HG          2.80    (#    498:25  Unique         2.38, 2.72 A)
 &rst
  ixpk= 498, nxpk= 25, iat=  -1,1615, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1612,1613,
 &end
#
#  126 LEU  MDY         126 LEU  HG          2.80    (#    500:25  Unique         2.35, 2.63 A)
 &rst
  ixpk= 500, nxpk= 25, iat=  -1,1909, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1911,1912,1913,1915,1916,1917,
 &end
#
#  130 ILE  QD1         126 LEU  HG          2.80    (#    501:25  Unique         2.21, 3.01 A)
 &rst
  ixpk= 501, nxpk= 25, iat=  -1,1909, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1985,1986,1987,
 &end
#
#    0 AMB  25-2:503      0 AMB  25-1:503    2.80    (#    503:25  Double Ambig)
 &rst
  ixpk= 503, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1369,1370, 362, 363,
 igr2=1366,1367, 365, 366,
 &end
#
#   86 LEU  HG           86 LEU  MDY         2.80    (#    505:25  Unique         2.40, 2.67 A)
 &rst
  ixpk= 505, nxpk= 25, iat=1253,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1255,1256,1257,1259,1260,1261,
 &end
#
#   76 VAL  MGY          86 LEU  MDY         3.50    (#    506:25  Unique         2.87, 6.55 A)
 &rst
  ixpk= 506, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1121,1122,1123,1125,1126,1127,
 igr2=1255,1256,1257,1259,1260,1261,
 &end
#
#    0 AMB  25-2:509      0 AMB  25-1:509    2.80    (#    509:25  Double Ambig)
 &rst
  ixpk= 509, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.86, r4= 6.61,
 igr1= 551, 552, 554, 398, 399, 266, 267,
 igr2= 556, 557, 558, 560, 561, 562, 403, 404, 405, 407,
       408, 409,
 &end
#
#    0 AMB  25-2:510     25 LEU  MDX         3.50    (#    510:25  Single Ambig)
 &rst
  ixpk= 510, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.80, r4= 7.55,
 igr1=1863,1864,1865,1867,1868,1869, 386, 387, 388,
 igr2= 403, 404, 405, 407, 408, 409,
 &end
#
#   61 THR  MG2          37 LEU  MDY         3.50    (#    512:25  Unique         2.15, 5.27 A)
 &rst
  ixpk= 512, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 905, 906, 907,
 igr2= 556, 557, 558, 560, 561, 562,
 &end
#
#    0 AMB  25-2:514    109 LEU  MDX         3.50    (#    514:25  Single Ambig)
 &rst
  ixpk= 514, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 721, 722, 723,1685,1686,
 igr2=1617,1618,1619,1621,1622,1623,
 &end
#
#    0 AMB  25-2:515      0 AMB  25-1:515    2.80    (#    515:25  Double Ambig)
 &rst
  ixpk= 515, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
 igr1=1615,1612,1613, 570, 571,
 igr2=1617,1618,1619,1621,1622,1623, 556, 557, 558, 560,
       561, 562,
 &end
#
#    0 AMB  25-2:517      0 AMB  25-1:517    2.80    (#    517:25  Double Ambig)
 &rst
  ixpk= 517, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1=1978,1979,1980, 465, 466, 467,
 igr2=1982,1983,1982,1983,
 &end
#
#   29 LYS  HB+          29 LYS  HG+         2.80    (#    518:25  Unique         2.36, 2.61 A)
 &rst
  ixpk= 518, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 441, 442,
 igr2= 444, 445,
 &end
#
#    0 AMB  25-2:520      0 AMB  25-1:520    2.80    (#    520:25  Double Ambig)
 &rst
  ixpk= 520, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.48, r4= 6.23,
 igr1= 607, 608,  47,  48, 463, 441, 442,
 igr2= 610, 611,  50,  51, 469, 470, 469, 470,
 &end
#
#    0 AMB  25-2:523      0 AMB  25-1:523    2.80    (#    523:25  Double Ambig)
 &rst
  ixpk= 523, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1800,1801,1806,1807,
 igr2=1803,1804,1803,1804,
 &end
#
#  129 LYS  HB+         129 LYS  HG+         2.80    (#    527:25  Unique         2.41, 2.77 A)
 &rst
  ixpk= 527, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1954,1955,
 igr2=1957,1958,
 &end
#
#    0 AMB  25-2:528    123 VAL  MGY         2.80    (#    528:25  Single Ambig)
 &rst
  ixpk= 528, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1857,1873,
 igr2=1863,1864,1865,1867,1868,1869,
 &end
#
#    6 PHE  HZ          123 VAL  MGY         4.50    (#    529:25  Unique         3.03, 4.85 A)
 &rst
  ixpk= 529, nxpk= 25, iat= 110,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1863,1864,1865,1867,1868,1869,
 &end
#
#  123 VAL  HA          123 VAL  MGY         2.80    (#    530:25  Unique         2.39, 3.17 A)
 &rst
  ixpk= 530, nxpk= 25, iat=1859,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1863,1864,1865,1867,1868,1869,
 &end
#
#   77 ILE  QD1          77 ILE  HG1-        2.80    (#    532:25  Unique         2.34, 2.67 A)
 &rst
  ixpk= 532, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1144,1145,1146,
 igr2=1141,1142,
 &end
#
#  123 VAL  HB          123 VAL  MGY         2.80    (#    535:25  Unique         2.31, 2.64 A)
 &rst
  ixpk= 535, nxpk= 25, iat=1861,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1863,1864,1865,1867,1868,1869,
 &end
#
#   86 LEU  HG           86 LEU  MDX         2.80    (#    536:25  Unique         2.40, 2.67 A)
 &rst
  ixpk= 536, nxpk= 25, iat=1253,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1255,1256,1257,1259,1260,1261,
 &end
#
#  119 VAL  HN          119 VAL  MGY         3.50    (#    537:25  Unique         2.28, 3.88 A)
 &rst
  ixpk= 537, nxpk= 25, iat=1780,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1786,1787,1788,1790,1791,1792,
 &end
#
#  119 VAL  HA          119 VAL  MGY         3.50    (#    538:25  Unique         2.51, 3.18 A)
 &rst
  ixpk= 538, nxpk= 25, iat=1782,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1786,1787,1788,1790,1791,1792,
 &end
#
#  119 VAL  HB          119 VAL  MGY         2.80    (#    539:25  Unique         2.40, 2.66 A)
 &rst
  ixpk= 539, nxpk= 25, iat=1784,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1786,1787,1788,1790,1791,1792,
 &end
#
#    0 AMB  25-2:540    119 VAL  MGY         2.80    (#    540:25  Single Ambig)
 &rst
  ixpk= 540, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.22, r4= 5.97,
 igr1=1508,1722,1723,1724,1726,1727,1728,
 igr2=1786,1787,1788,1790,1791,1792,
 &end
#
#  111 VAL  MGX         115 VAL  MGY         2.80    (#    541:25  Unique         2.27, 6.30 A)
 &rst
  ixpk= 541, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=1648,1649,1650,1652,1653,1654,
 igr2=1722,1723,1724,1726,1727,1728,
 &end
#
#  115 VAL  HN          115 VAL  MGY         3.50    (#    542:25  Unique         2.22, 3.84 A)
 &rst
  ixpk= 542, nxpk= 25, iat=1716,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1722,1723,1724,1726,1727,1728,
 &end
#
#  111 VAL  HA          115 VAL  MGY         3.50    (#    543:25  Unique         3.18, 5.91 A)
 &rst
  ixpk= 543, nxpk= 25, iat=1644,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1722,1723,1724,1726,1727,1728,
 &end
#
#  115 VAL  HB          115 VAL  MGY         2.80    (#    544:25  Unique         2.22, 2.67 A)
 &rst
  ixpk= 544, nxpk= 25, iat=1720,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1722,1723,1724,1726,1727,1728,
 &end
#
#  101 LEU  HB-         115 VAL  MGY         4.50    (#    545:25  Unique         2.41, 5.08 A)
 &rst
  ixpk= 545, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1505,1506,
 igr2=1722,1723,1724,1726,1727,1728,
 &end
#
#  101 LEU  HB+         101 LEU  MDX         2.80    (#    546:25  Unique         2.34, 3.55 A)
 &rst
  ixpk= 546, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1505,1506,
 igr2=1510,1511,1512,1514,1515,1516,
 &end
#
#  101 LEU  HA          101 LEU  MDX         2.80    (#    547:25  Unique         2.17, 3.29 A)
 &rst
  ixpk= 547, nxpk= 25, iat=1503,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1510,1511,1512,1514,1515,1516,
 &end
#
#   19 GLU  HA           32 VAL  MGX         2.80    (#    548:25  Unique         2.04, 4.11 A)
 &rst
  ixpk= 548, nxpk= 25, iat= 308,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 494, 495, 496, 498, 499, 500,
 &end
#
#   32 VAL  HB           32 VAL  MGX         2.80    (#    549:25  Unique         2.29, 2.64 A)
 &rst
  ixpk= 549, nxpk= 25, iat= 492,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 494, 495, 496, 498, 499, 500,
 &end
#
#   22 ALA  MB           32 VAL  MGX         2.80    (#    550:25  Unique         2.08, 4.02 A)
 &rst
  ixpk= 550, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 352, 353, 354,
 igr2= 494, 495, 496, 498, 499, 500,
 &end
#
#   18 ALA  HA          119 VAL  MGX         2.80    (#    552:25  Unique         2.17, 3.99 A)
 &rst
  ixpk= 552, nxpk= 25, iat= 298,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1786,1787,1788,1790,1791,1792,
 &end
#
#    0 AMB  25-2:553      0 AMB  25-1:553    2.80    (#    553:25  Double Ambig)
 &rst
  ixpk= 553, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=1906,1907,1784,
 igr2=1911,1912,1913,1915,1916,1917,1786,1787,1788,1790,
      1791,1792,
 &end
#
#    0 AMB  25-2:555      0 AMB  25-1:555    3.50    (#    555:25  Double Ambig)
 &rst
  ixpk= 555, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1=1934,1935,1936, 472, 473, 474,
 igr2=1911,1912,1913,1915,1916,1917, 403, 404, 405, 407,
       408, 409,
 &end
#
#   77 ILE  QD1         126 LEU  MDX         3.50    (#    556:25  Unique         2.27, 4.91 A)
 &rst
  ixpk= 556, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1144,1145,1146,
 igr2=1911,1912,1913,1915,1916,1917,
 &end
#
#   25 LEU  HA           25 LEU  MDY         2.80    (#    557:25  Unique         2.06, 3.79 A)
 &rst
  ixpk= 557, nxpk= 25, iat= 396,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 403, 404, 405, 407, 408, 409,
 &end
#
#   25 LEU  HG           25 LEU  MDY         2.80    (#    558:25  Unique         2.43, 2.68 A)
 &rst
  ixpk= 558, nxpk= 25, iat= 401,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 403, 404, 405, 407, 408, 409,
 &end
#
#  120 LYS  HD-          25 LEU  MDY         4.50    (#    560:25  Unique         2.39, 6.26 A)
 &rst
  ixpk= 560, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1806,1807,
 igr2= 403, 404, 405, 407, 408, 409,
 &end
#
#   18 ALA  MB          119 VAL  MGX         3.50    (#    561:25  Unique         2.22, 4.31 A)
 &rst
  ixpk= 561, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 300, 301, 302,
 igr2=1786,1787,1788,1790,1791,1792,
 &end
#
#  109 LEU  HA          109 LEU  MDY         2.80    (#    562:25  Unique         2.25, 3.75 A)
 &rst
  ixpk= 562, nxpk= 25, iat=1610,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1617,1618,1619,1621,1622,1623,
 &end
#
#  109 LEU  HB-         109 LEU  MDY         2.80    (#    563:25  Unique         2.41, 3.37 A)
 &rst
  ixpk= 563, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1612,1613,
 igr2=1617,1618,1619,1621,1622,1623,
 &end
#
#   45 THR  MG2         109 LEU  MDY         2.80    (#    564:25  Unique         2.54, 4.47 A)
 &rst
  ixpk= 564, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 680, 681, 682,
 igr2=1617,1618,1619,1621,1622,1623,
 &end
#
#   33 THR  HB           33 THR  MG2         2.80    (#    565:25  Unique         2.41, 2.66 A)
 &rst
  ixpk= 565, nxpk= 25, iat= 508,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 510, 511, 512,
 &end
#
#    0 AMB  25-2:566      0 AMB  25-1:566    2.80    (#    566:25  Double Ambig)
 &rst
  ixpk= 566, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 518,1597,
 igr2= 510, 511, 512,1648,1649,1650,1652,1653,1654,
 &end
#
#  111 VAL  HA          111 VAL  MGY         2.80    (#    567:25  Unique         2.37, 3.12 A)
 &rst
  ixpk= 567, nxpk= 25, iat=1644,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1648,1649,1650,1652,1653,1654,
 &end
#
#  111 VAL  HB          111 VAL  MGY         2.80    (#    568:25  Unique         2.39, 2.68 A)
 &rst
  ixpk= 568, nxpk= 25, iat=1646,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1648,1649,1650,1652,1653,1654,
 &end
#
#  111 VAL  HN          111 VAL  MGY         2.80    (#    569:25  Unique         2.14, 3.87 A)
 &rst
  ixpk= 569, nxpk= 25, iat=1642,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1648,1649,1650,1652,1653,1654,
 &end
#
#  109 LEU  MDY          45 THR  MG2         2.80    (#    570:25  Unique         2.54, 4.47 A)
 &rst
  ixpk= 570, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1617,1618,1619,1621,1622,1623,
 igr2= 680, 681, 682,
 &end
#
#    0 AMB  25-2:571     32 VAL  MGY         2.80    (#    571:25  Single Ambig)
 &rst
  ixpk= 571, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 488, 504,
 igr2= 494, 495, 496, 498, 499, 500,
 &end
#
#   32 VAL  HB           32 VAL  MGY         2.80    (#    572:25  Unique         2.29, 2.64 A)
 &rst
  ixpk= 572, nxpk= 25, iat= 492,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 494, 495, 496, 498, 499, 500,
 &end
#
#   22 ALA  MB            0 AMB  25-1:573    2.80    (#    573:25  Single Ambig)
 &rst
  ixpk= 573, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 352, 353, 354,
 igr2= 494, 495, 496, 498, 499, 500,1863,1864,1865,1867,
      1868,1869,
 &end
#
#   26 GLY  HA-          32 VAL  MGY         3.50    (#    574:25  Unique         4.11, 6.64 A)
 &rst
  ixpk= 574, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 415, 416,
 igr2= 494, 495, 496, 498, 499, 500,
 &end
#
#  123 VAL  HB          123 VAL  MGX         2.80    (#    575:25  Unique         2.31, 2.64 A)
 &rst
  ixpk= 575, nxpk= 25, iat=1861,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1863,1864,1865,1867,1868,1869,
 &end
#
#    0 AMB  25-2:576     32 VAL  MGY         2.80    (#    576:25  Single Ambig)
 &rst
  ixpk= 576, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=  69, 463,
 igr2= 494, 495, 496, 498, 499, 500,
 &end
#
#   37 LEU  HA           37 LEU  MDX         3.50    (#    578:25  Unique         2.31, 4.44 A)
 &rst
  ixpk= 578, nxpk= 25, iat= 549,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 556, 557, 558, 560, 561, 562,
 &end
#
#    0 AMB  25-2:579      0 AMB  25-1:579    2.80    (#    579:25  Double Ambig)
 &rst
  ixpk= 579, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.86, r4= 6.61,
 igr1= 551, 552, 554, 610, 611, 266, 267,
 igr2= 556, 557, 558, 560, 561, 562, 633, 634, 635, 637,
       638, 639,
 &end
#
#   61 THR  HB           61 THR  MG2         2.80    (#    580:25  Unique         2.32, 2.66 A)
 &rst
  ixpk= 580, nxpk= 25, iat= 903,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 905, 906, 907,
 &end
#
#   42 VAL  HB           42 VAL  MGY         2.80    (#    584:25  Unique         2.37, 2.66 A)
 &rst
  ixpk= 584, nxpk= 25, iat= 631,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 633, 634, 635, 637, 638, 639,
 &end
#
#   61 THR  MG2           0 AMB  25-1:586    3.50    (#    586:25  Single Ambig)
 &rst
  ixpk= 586, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 905, 906, 907,
 igr2= 556, 557, 558, 560, 561, 562, 633, 634, 635, 637,
       638, 639,
 &end
#
#   49 MET  HA           49 MET  ME          2.80    (#    587:25  Unique         2.00, 3.14 A)
 &rst
  ixpk= 587, nxpk= 25, iat= 729,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 738, 739, 740,
 &end
#
#   49 MET  HG+          49 MET  ME          2.80    (#    588:25  Unique         2.13, 3.46 A)
 &rst
  ixpk= 588, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 734, 735,
 igr2= 738, 739, 740,
 &end
#
#    0 AMB  25-2:589     49 MET  ME          2.80    (#    589:25  Single Ambig)
 &rst
  ixpk= 589, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15,
 igr1= 721, 722, 723,1685,1686,
 igr2= 738, 739, 740,
 &end
#
#    0 AMB  25-2:591     92 THR  MG2         3.50    (#    591:25  Single Ambig)
 &rst
  ixpk= 591, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1352,1350,
 igr2=1354,1355,1356,
 &end
#
#   91 VAL  MGX          92 THR  MG2         3.50    (#    592:25  Unique         2.63, 6.19 A)
 &rst
  ixpk= 592, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1338,1339,1340,1342,1343,1344,
 igr2=1354,1355,1356,
 &end
#
#   75 VAL  HA           75 VAL  MGY         2.80    (#    593:25  Unique         2.32, 3.13 A)
 &rst
  ixpk= 593, nxpk= 25, iat=1101,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1105,1106,1107,1109,1110,1111,
 &end
#
#   77 ILE  QD1          75 VAL  MGY         4.50    (#    594:25  Unique         2.98, 5.56 A)
 &rst
  ixpk= 594, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=1144,1145,1146,
 igr2=1105,1106,1107,1109,1110,1111,
 &end
#
#  109 LEU  MDX          49 MET  ME          3.50    (#    595:25  Unique         2.08, 3.99 A)
 &rst
  ixpk= 595, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1617,1618,1619,1621,1622,1623,
 igr2= 738, 739, 740,
 &end
#
#  109 LEU  MDY          49 MET  ME          2.80    (#    596:25  Unique         2.08, 3.99 A)
 &rst
  ixpk= 596, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1617,1618,1619,1621,1622,1623,
 igr2= 738, 739, 740,
 &end
#
#  114 THR  HA          114 THR  MG2         2.80    (#    597:25  Unique         2.34, 3.11 A)
 &rst
  ixpk= 597, nxpk= 25, iat=1704,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1708,1709,1710,
 &end
#
#    0 AMB  25-2:599     53 VAL  MGY         2.80    (#    599:25  Single Ambig)
 &rst
  ixpk= 599, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1742,1743, 795,
 igr2= 797, 798, 799, 801, 802, 803,
 &end
#
#  115 VAL  HA          115 VAL  MGX         2.80    (#    600:25  Unique         2.28, 3.15 A)
 &rst
  ixpk= 600, nxpk= 25, iat=1718,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1722,1723,1724,1726,1727,1728,
 &end
#
#  115 VAL  HB          115 VAL  MGX         2.80    (#    601:25  Unique         2.22, 2.67 A)
 &rst
  ixpk= 601, nxpk= 25, iat=1720,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1722,1723,1724,1726,1727,1728,
 &end
#
#    0 AMB  25-2:602    115 VAL  MGX         2.80    (#    602:25  Single Ambig)
 &rst
  ixpk= 602, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1=1524,1525,1505,1506,
 igr2=1722,1723,1724,1726,1727,1728,
 &end
#
#    4 VAL  HA            4 VAL  MGY         2.80    (#    603:25  Unique         2.25, 3.15 A)
 &rst
  ixpk= 603, nxpk= 25, iat=  67,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=  71,  72,  73,  75,  76,  77,
 &end
#
#   75 VAL  HB            4 VAL  MGY         2.80    (#    604:25  Unique         2.15, 3.60 A)
 &rst
  ixpk= 604, nxpk= 25, iat=1103,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=  71,  72,  73,  75,  76,  77,
 &end
#
#    0 AMB  25-2:605      4 VAL  MGY         2.80    (#    605:25  Single Ambig)
 &rst
  ixpk= 605, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 463,  69,
 igr2=  71,  72,  73,  75,  76,  77,
 &end
#
#    0 AMB  25-2:608      1 MET  ME          2.80    (#    608:25  Single Ambig)
 &rst
  ixpk= 608, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=  31,  32, 447, 448,  28,  29,
 igr2=  15,  16,  17,
 &end
#
#    0 AMB  25-2:609     24 THR  MG2         2.80    (#    609:25  Single Ambig)
 &rst
  ixpk= 609, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 384, 382,
 igr2= 386, 387, 388,
 &end
#
#   25 LEU  MDX          24 THR  MG2         3.50    (#    610:25  Unique         2.72, 5.08 A)
 &rst
  ixpk= 610, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 403, 404, 405, 407, 408, 409,
 igr2= 386, 387, 388,
 &end
#
#   76 VAL  HB           76 VAL  MGY         2.80    (#    611:25  Unique         2.32, 2.66 A)
 &rst
  ixpk= 611, nxpk= 25, iat=1119,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1121,1122,1123,1125,1126,1127,
 &end
#
#   90 TRP  HE3          76 VAL  MGY         3.50    (#    612:25  Unique         2.05, 2.90 A)
 &rst
  ixpk= 612, nxpk= 25, iat=1327,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1121,1122,1123,1125,1126,1127,
 &end
#
#    0 AMB  25-2:613     84 VAL  MGX         3.50    (#    613:25  Single Ambig)
 &rst
  ixpk= 613, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1218,1211,1212,
 igr2=1222,1223,1224,1226,1227,1228,
 &end
#
#   84 VAL  HB           84 VAL  MGX         2.80    (#    614:25  Unique         2.36, 2.66 A)
 &rst
  ixpk= 614, nxpk= 25, iat=1220,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1222,1223,1224,1226,1227,1228,
 &end
#
#    0 AMB  25-2:615      4 VAL  MGX         2.80    (#    615:25  Single Ambig)
 &rst
  ixpk= 615, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 463,  69,
 igr2=  71,  72,  73,  75,  76,  77,
 &end
#
#    0 AMB  25-2:616      4 VAL  MGX         3.50    (#    616:25  Single Ambig)
 &rst
  ixpk= 616, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1909,1931,1932,  85,  86,
 igr2=  71,  72,  73,  75,  76,  77,
 &end
#
#    0 AMB  25-2:618      0 AMB  25-1:618    3.50    (#    618:25  Double Ambig)
 &rst
  ixpk= 618, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
 igr1=1332, 108, 112,1348,
 igr2=1338,1339,1340,1342,1343,1344,  71,  72,  73,  75,
        76,  77,
 &end
#
#    0 AMB  25-2:619      0 AMB  25-1:619    2.80    (#    619:25  Double Ambig)
 &rst
  ixpk= 619, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.86, r4= 6.61,
 igr1=1911,1912,1913,1915,1916,1917,1336,
 igr2=  71,  72,  73,  75,  76,  77,1338,1339,1340,1342,
      1343,1344,
 &end
#
#   91 VAL  HA           91 VAL  MGY         2.80    (#    620:25  Unique         2.35, 3.45 A)
 &rst
  ixpk= 620, nxpk= 25, iat=1334,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1338,1339,1340,1342,1343,1344,
 &end
#
#   31 ALA  HN           31 ALA  MB          2.80    (#    621:25  Unique         2.52, 3.14 A)
 &rst
  ixpk= 621, nxpk= 25, iat= 478,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 482, 483, 484,
 &end
#
#    0 AMB  25-2:623      0 AMB  25-1:623    2.80    (#    623:25  Double Ambig)
 &rst
  ixpk= 623, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1=   8,   9,  47,  48,
 igr2=  15,  16,  17, 482, 483, 484,
 &end
#
#    7 VAL  HB            7 VAL  MGX         2.80    (#    624:25  Unique         2.38, 2.66 A)
 &rst
  ixpk= 624, nxpk= 25, iat= 122,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 124, 125, 126, 128, 129, 130,
 &end
#
#   90 TRP  HE3          76 VAL  MGX         3.50    (#    626:25  Unique         2.05, 2.90 A)
 &rst
  ixpk= 626, nxpk= 25, iat=1327,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1121,1122,1123,1125,1126,1127,
 &end
#
#  111 VAL  HA          111 VAL  MGX         2.80    (#    627:25  Unique         2.37, 3.12 A)
 &rst
  ixpk= 627, nxpk= 25, iat=1644,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1648,1649,1650,1652,1653,1654,
 &end
#
#  111 VAL  HB          111 VAL  MGX         2.80    (#    628:25  Unique         2.39, 2.68 A)
 &rst
  ixpk= 628, nxpk= 25, iat=1646,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1648,1649,1650,1652,1653,1654,
 &end
#
#    7 VAL  HB            7 VAL  MGY         3.50    (#    630:25  Unique         2.38, 2.66 A)
 &rst
  ixpk= 630, nxpk= 25, iat= 122,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 124, 125, 126, 128, 129, 130,
 &end
#
#   76 VAL  HB           76 VAL  MGX         2.80    (#    632:25  Unique         2.32, 2.66 A)
 &rst
  ixpk= 632, nxpk= 25, iat=1119,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1121,1122,1123,1125,1126,1127,
 &end
#
#   75 VAL  HB           75 VAL  MGX         2.80    (#    634:25  Unique         2.26, 2.63 A)
 &rst
  ixpk= 634, nxpk= 25, iat=1103,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1105,1106,1107,1109,1110,1111,
 &end
#
#   95 ILE  HB           75 VAL  MGX         2.80    (#    635:25  Unique         2.03, 2.76 A)
 &rst
  ixpk= 635, nxpk= 25, iat=1398,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1105,1106,1107,1109,1110,1111,
 &end
#
#    0 AMB  25-2:636     75 VAL  MGX         3.50    (#    636:25  Single Ambig)
 &rst
  ixpk= 636, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
 igr1=1911,1912,1913,1915,1916,1917,1404,1405,
 igr2=1105,1106,1107,1109,1110,1111,
 &end
#
#   22 ALA  HN           22 ALA  MB          2.80    (#    637:25  Unique         2.33, 2.88 A)
 &rst
  ixpk= 637, nxpk= 25, iat= 348,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 352, 353, 354,
 &end
#
#    6 PHE  HE           22 ALA  MB          2.80    (#    638:25  Unique         2.49, 4.18 A)
 &rst
  ixpk= 638, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 108, 112,
 igr2= 352, 353, 354,
 &end
#
#   22 ALA  HA           22 ALA  MB          2.80    (#    639:25  Unique         2.40, 2.65 A)
 &rst
  ixpk= 639, nxpk= 25, iat= 350,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 352, 353, 354,
 &end
#
#   32 VAL  MGX          22 ALA  MB          2.80    (#    640:25  Unique         2.08, 4.02 A)
 &rst
  ixpk= 640, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 494, 495, 496, 498, 499, 500,
 igr2= 352, 353, 354,
 &end
#
#    0 AMB  25-2:641     22 ALA  MB          2.80    (#    641:25  Single Ambig)
 &rst
  ixpk= 641, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 494, 495, 496, 498, 499, 500,1863,1864,1865,1867,
      1868,1869,
 igr2= 352, 353, 354,
 &end
#
#    0 AMB  25-2:642     22 ALA  MB          2.80    (#    642:25  Single Ambig)
 &rst
  ixpk= 642, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 472, 473, 474,1934,1935,1936,
 igr2= 352, 353, 354,
 &end
#
#   53 VAL  HN           53 VAL  MGX         2.80    (#    643:25  Unique         2.19, 3.68 A)
 &rst
  ixpk= 643, nxpk= 25, iat= 791,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 797, 798, 799, 801, 802, 803,
 &end
#
#    0 AMB  25-2:645     53 VAL  MGX         2.80    (#    645:25  Single Ambig)
 &rst
  ixpk= 645, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1742,1743, 795,
 igr2= 797, 798, 799, 801, 802, 803,
 &end
#
#    0 AMB  25-2:646     30 ILE  QG2         2.80    (#    646:25  Single Ambig)
 &rst
  ixpk= 646, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=  25,  26,1982,1983,
 igr2= 465, 466, 467,
 &end
#
#    0 AMB  25-2:647     30 ILE  QG2         3.50    (#    647:25  Single Ambig)
 &rst
  ixpk= 647, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 469, 470,1982,1983,
 igr2= 465, 466, 467,
 &end
#
#    0 AMB  25-2:648     91 VAL  MGX         3.50    (#    648:25  Single Ambig)
 &rst
  ixpk= 648, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1332,1348,
 igr2=1338,1339,1340,1342,1343,1344,
 &end
#
#   88 PRO  HA           91 VAL  MGX         2.80    (#    649:25  Unique         2.17, 3.90 A)
 &rst
  ixpk= 649, nxpk= 25, iat=1289,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1338,1339,1340,1342,1343,1344,
 &end
#
#   91 VAL  HB           91 VAL  MGX         2.80    (#    650:25  Unique         2.38, 2.65 A)
 &rst
  ixpk= 650, nxpk= 25, iat=1336,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1338,1339,1340,1342,1343,1344,
 &end
#
#   92 THR  MG2          91 VAL  MGX         3.50    (#    651:25  Unique         2.63, 6.19 A)
 &rst
  ixpk= 651, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1354,1355,1356,
 igr2=1338,1339,1340,1342,1343,1344,
 &end
#
#   30 ILE  HA           30 ILE  QG2         2.80    (#    653:25  Unique         2.15, 3.01 A)
 &rst
  ixpk= 653, nxpk= 25, iat= 461,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 465, 466, 467,
 &end
#
#   30 ILE  HB           30 ILE  QG2         2.80    (#    654:25  Unique         2.29, 2.65 A)
 &rst
  ixpk= 654, nxpk= 25, iat= 463,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 465, 466, 467,
 &end
#
#    0 AMB  25-2:655     57 ILE  QG2         2.80    (#    655:25  Single Ambig)
 &rst
  ixpk= 655, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15,
 igr1= 849, 751, 752, 889, 890,
 igr2= 851, 852, 853,
 &end
#
#   57 ILE  HG1+         57 ILE  QG2         3.50    (#    656:25  Unique         2.34, 3.55 A)
 &rst
  ixpk= 656, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 855, 856,
 igr2= 851, 852, 853,
 &end
#
#   57 ILE  QD1          57 ILE  QG2         2.80    (#    657:25  Unique         2.20, 3.66 A)
 &rst
  ixpk= 657, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 858, 859, 860,
 igr2= 851, 852, 853,
 &end
#
#   27 ALA  HN           27 ALA  MB          2.80    (#    658:25  Unique         2.50, 2.90 A)
 &rst
  ixpk= 658, nxpk= 25, iat= 420,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 424, 425, 426,
 &end
#
#   27 ALA  HA           27 ALA  MB          2.80    (#    659:25  Unique         2.45, 2.68 A)
 &rst
  ixpk= 659, nxpk= 25, iat= 422,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 424, 425, 426,
 &end
#
#  125 ASN  HA          128 ALA  MB          2.80    (#    660:25  Unique         2.63, 3.47 A)
 &rst
  ixpk= 660, nxpk= 25, iat=1890,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1944,1945,1946,
 &end
#
#  128 ALA  HA          128 ALA  MB          2.80    (#    661:25  Unique         2.44, 2.68 A)
 &rst
  ixpk= 661, nxpk= 25, iat=1942,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1944,1945,1946,
 &end
#
#  128 ALA  HN          128 ALA  MB          2.80    (#    662:25  Unique         2.43, 2.87 A)
 &rst
  ixpk= 662, nxpk= 25, iat=1940,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1944,1945,1946,
 &end
#
#   48 ALA  HN           48 ALA  MB          2.80    (#    663:25  Unique         2.50, 2.90 A)
 &rst
  ixpk= 663, nxpk= 25, iat= 717,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 721, 722, 723,
 &end
#
#   48 ALA  HA           48 ALA  MB          2.80    (#    664:25  Unique         2.42, 2.65 A)
 &rst
  ixpk= 664, nxpk= 25, iat= 719,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 721, 722, 723,
 &end
#
#   45 THR  HA           48 ALA  MB          2.80    (#    665:25  Unique         2.63, 3.69 A)
 &rst
  ixpk= 665, nxpk= 25, iat= 676,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 721, 722, 723,
 &end
#
#   70 ALA  HN           70 ALA  MB          2.80    (#    666:25  Unique         2.29, 2.82 A)
 &rst
  ixpk= 666, nxpk= 25, iat=1032,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1036,1037,1038,
 &end
#
#   90 TRP  HA           70 ALA  MB          3.50    (#    667:25  Unique         2.27, 2.72 A)
 &rst
  ixpk= 667, nxpk= 25, iat=1310,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1036,1037,1038,
 &end
#
#   89 GLU  HG+          70 ALA  MB          3.50    (#    668:25  Unique         3.76, 5.28 A)
 &rst
  ixpk= 668, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1300,1301,
 igr2=1036,1037,1038,
 &end
#
#   70 ALA  HA           70 ALA  MB          2.80    (#    669:25  Unique         2.26, 2.62 A)
 &rst
  ixpk= 669, nxpk= 25, iat=1034,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1036,1037,1038,
 &end
#
#   47 ILE  HG1-         47 ILE  QG2         2.80    (#    670:25  Unique         2.24, 3.03 A)
 &rst
  ixpk= 670, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 708, 709,
 igr2= 704, 705, 706,
 &end
#
#    0 AMB  25-2:671     95 ILE  QG2         2.80    (#    671:25  Single Ambig)
 &rst
  ixpk= 671, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1440,1441,1437,1438,
 igr2=1400,1401,1402,
 &end
#
#   95 ILE  HB           95 ILE  QG2         2.80    (#    672:25  Unique         2.46, 2.67 A)
 &rst
  ixpk= 672, nxpk= 25, iat=1398,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1400,1401,1402,
 &end
#
#    5 MET  HG+           5 MET  ME          3.50    (#    673:25  Unique         2.30, 3.54 A)
 &rst
  ixpk= 673, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=  88,  89,
 igr2=  92,  93,  94,
 &end
#
#    0 AMB  25-2:676      0 AMB  25-1:676    2.80    (#    676:25  Double Ambig)
 &rst
  ixpk= 676, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1= 415, 416, 719, 670,
 igr2=1927,1928,1929, 704, 705, 706,
 &end
#
#  127 ILE  HB          127 ILE  QG2         2.80    (#    677:25  Unique         2.35, 2.62 A)
 &rst
  ixpk= 677, nxpk= 25, iat=1925,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1927,1928,1929,
 &end
#
#  130 ILE  HG1-        130 ILE  QG2         2.80    (#    678:25  Unique         2.46, 3.54 A)
 &rst
  ixpk= 678, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1982,1983,
 igr2=1978,1979,1980,
 &end
#
#    0 AMB  25-2:679      0 AMB  25-1:679    2.80    (#    679:25  Double Ambig)
 &rst
  ixpk= 679, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1972,1940,
 igr2=1978,1979,1980,1927,1928,1929,
 &end
#
#  130 ILE  HA          130 ILE  QG2         2.80    (#    680:25  Unique         2.17, 2.76 A)
 &rst
  ixpk= 680, nxpk= 25, iat=1974,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1978,1979,1980,
 &end
#
#  130 ILE  HB          130 ILE  QG2         2.80    (#    681:25  Unique         2.38, 2.67 A)
 &rst
  ixpk= 681, nxpk= 25, iat=1976,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1978,1979,1980,
 &end
#
#    0 AMB  25-2:682    130 ILE  QG2         2.80    (#    682:25  Single Ambig)
 &rst
  ixpk= 682, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1404,1405,  31,  32,
 igr2=1978,1979,1980,
 &end
#
#   17 MET  HA           50 MET  ME          4.50    (#    683:25  Unique         3.21, 5.06 A)
 &rst
  ixpk= 683, nxpk= 25, iat= 281,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 755, 756, 757,
 &end
#
#   17 MET  HB+          50 MET  ME          3.50    (#    684:25  Unique         2.19, 4.09 A)
 &rst
  ixpk= 684, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 283, 284,
 igr2= 755, 756, 757,
 &end
#
#   18 ALA  HA           18 ALA  MB          2.80    (#    687:25  Unique         2.45, 2.72 A)
 &rst
  ixpk= 687, nxpk= 25, iat= 298,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 300, 301, 302,
 &end
#
#    0 AMB  25-2:689      0 AMB  25-1:689    2.80    (#    689:25  Double Ambig)
 &rst
  ixpk= 689, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.44, r4= 6.19,
 igr1=1786,1787,1788,1790,1791,1792, 818, 855, 856,
 igr2= 300, 301, 302, 820, 821, 822,
 &end
#
#   57 ILE  QG2          55 ILE  QG2         2.80    (#    690:25  Unique         2.09, 3.41 A)
 &rst
  ixpk= 690, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 851, 852, 853,
 igr2= 820, 821, 822,
 &end
#
#   65 ILE  HB           65 ILE  QG2         2.80    (#    693:25  Unique         2.39, 2.67 A)
 &rst
  ixpk= 693, nxpk= 25, iat= 954,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 956, 957, 958,
 &end
#
#   65 ILE  QD1          65 ILE  QG2         2.80    (#    694:25  Unique         2.36, 3.62 A)
 &rst
  ixpk= 694, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 963, 964, 965,
 igr2= 956, 957, 958,
 &end
#
#    0 AMB  25-2:695     17 MET  ME          2.80    (#    695:25  Single Ambig)
 &rst
  ixpk= 695, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.85, r4= 5.60,
 igr1= 818, 797, 798, 799, 801, 802, 803, 855, 856,
 igr2= 290, 291, 292,
 &end
#
#  130 ILE  HB          130 ILE  QD1         2.80    (#    696:25  Unique         2.37, 3.14 A)
 &rst
  ixpk= 696, nxpk= 25, iat=1976,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1985,1986,1987,
 &end
#
#    0 AMB  25-2:697    130 ILE  QD1         2.80    (#    697:25  Single Ambig)
 &rst
  ixpk= 697, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1982,1983,  25,  26,
 igr2=1985,1986,1987,
 &end
#
#    0 AMB  25-2:698    130 ILE  QD1         2.80    (#    698:25  Single Ambig)
 &rst
  ixpk= 698, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1982,1983, 469, 470,
 igr2=1985,1986,1987,
 &end
#
#   55 ILE  HG1-         55 ILE  QD1         2.80    (#    699:25  Unique         2.34, 2.63 A)
 &rst
  ixpk= 699, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 824, 825,
 igr2= 827, 828, 829,
 &end
#
#    0 AMB  25-2:700     55 ILE  QD1         3.50    (#    700:25  Single Ambig)
 &rst
  ixpk= 700, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.81, r4= 6.56,
 igr1= 818, 797, 798, 799, 801, 802, 803,
 igr2= 827, 828, 829,
 &end
#
#   55 ILE  HG1+         55 ILE  QD1         2.80    (#    701:25  Unique         2.34, 2.63 A)
 &rst
  ixpk= 701, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 824, 825,
 igr2= 827, 828, 829,
 &end
#
#   17 MET  ME           55 ILE  QD1         3.50    (#    702:25  Unique         2.30, 3.82 A)
 &rst
  ixpk= 702, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 290, 291, 292,
 igr2= 827, 828, 829,
 &end
#
#    0 AMB  25-2:703     57 ILE  QD1         2.80    (#    703:25  Single Ambig)
 &rst
  ixpk= 703, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 751, 752, 849,
 igr2= 858, 859, 860,
 &end
#
#   17 MET  ME           57 ILE  QD1         2.80    (#    704:25  Unique         2.99, 5.00 A)
 &rst
  ixpk= 704, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 290, 291, 292,
 igr2= 858, 859, 860,
 &end
#
#    0 AMB  25-2:705    127 ILE  QD1         2.80    (#    705:25  Single Ambig)
 &rst
  ixpk= 705, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1=1925,1931,1932,
 igr2=1934,1935,1936,
 &end
#
#  127 ILE  HG1+         30 ILE  QD1         2.80    (#    706:25  Unique         2.93, 4.10 A)
 &rst
  ixpk= 706, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1931,1932,
 igr2= 472, 473, 474,
 &end
#
#   22 ALA  MB           30 ILE  QD1         2.80    (#    707:25  Unique         2.33, 4.31 A)
 &rst
  ixpk= 707, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 352, 353, 354,
 igr2= 472, 473, 474,
 &end
#
#    0 AMB  25-2:708      0 AMB  25-1:708    2.80    (#    708:25  Double Ambig)
 &rst
  ixpk= 708, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1= 708, 709, 463,  69,
 igr2= 711, 712, 713, 472, 473, 474,
 &end
#
#   30 ILE  HG1+         30 ILE  QD1         2.80    (#    709:25  Unique         2.34, 2.66 A)
 &rst
  ixpk= 709, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 469, 470,
 igr2= 472, 473, 474,
 &end
#
#   77 ILE  QD1          77 ILE  QG2         3.50    (#    710:25  Unique         2.19, 3.86 A)
 &rst
  ixpk= 710, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1144,1145,1146,
 igr2=1137,1138,1139,
 &end
#
#    0 AMB  25-2:711      0 AMB  25-1:711    2.80    (#    711:25  Double Ambig)
 &rst
  ixpk= 711, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 670, 415, 416,
 igr2= 711, 712, 713, 472, 473, 474,
 &end
#
#   47 ILE  HB           47 ILE  QD1         2.80    (#    712:25  Unique         2.58, 3.20 A)
 &rst
  ixpk= 712, nxpk= 25, iat= 702,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 711, 712, 713,
 &end
#
#    0 AMB  25-2:713     95 ILE  QD1         2.80    (#    713:25  Single Ambig)
 &rst
  ixpk= 713, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
 igr1=1404,1405,1982,1983,1911,1912,1913,1915,1916,1917,
      
 igr2=1407,1408,1409,
 &end
#
#   95 ILE  HG1+         95 ILE  QD1         2.80    (#    714:25  Unique         2.36, 2.66 A)
 &rst
  ixpk= 714, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1404,1405,
 igr2=1407,1408,1409,
 &end
#
#    0 AMB  25-2:715     95 ILE  QD1         2.80    (#    715:25  Single Ambig)
 &rst
  ixpk= 715, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1=1960,1961,1398,
 igr2=1407,1408,1409,
 &end
#
#    0 AMB  25-2:716     65 ILE  QD1         2.80    (#    716:25  Single Ambig)
 &rst
  ixpk= 716, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15,
 igr1= 960, 961, 956, 957, 958,
 igr2= 963, 964, 965,
 &end
#
#  126 LEU  MDX          77 ILE  QD1         2.80    (#    717:25  Unique         2.27, 4.91 A)
 &rst
  ixpk= 717, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1911,1912,1913,1915,1916,1917,
 igr2=1144,1145,1146,
 &end
#
#   77 ILE  HG1-         77 ILE  QD1         2.80    (#    718:25  Unique         2.34, 2.67 A)
 &rst
  ixpk= 718, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1141,1142,
 igr2=1144,1145,1146,
 &end
#
#   77 ILE  QG2          77 ILE  QD1         2.80    (#    719:25  Unique         2.19, 3.86 A)
 &rst
  ixpk= 719, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1=1137,1138,1139,
 igr2=1144,1145,1146,
 &end
#
#   60 GLN  HN           60 GLN  HA          3.50    (#    720:25  Unique         2.78, 2.90 A)
 &rst
  ixpk= 720, nxpk= 25, iat= 882, 884, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:721    125 ASN  HA          3.50    (#    721:25  Single Ambig)
 &rst
  ixpk= 721, nxpk= 25, iat=  -1,1890, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1940,1897,1898,
 &end
#
#   47 ILE  QD1          43 HIS  HA          4.50    (#    722:25  Unique         4.16, 5.53 A)
 &rst
  ixpk= 722, nxpk= 25, iat=  -1, 645, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 711, 712, 713,
 &end
#
#   77 ILE  HG1-         77 ILE  HA          3.50    (#    723:25  Unique         3.23, 3.54 A)
 &rst
  ixpk= 723, nxpk= 25, iat=  -1,1133, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1141,1142,
 &end
#
#    0 AMB  25-2:724     77 ILE  HA          5.50    (#    724:25  Single Ambig)
 &rst
  ixpk= 724, nxpk= 25, iat=  -1,1133, r1= 0.00, r2= 1.80, r3= 8.64, r4= 9.39,
 igr1=1170,1171,1172,1174,1175,1176,1400,1401,1402,1105,
      1106,1107,1109,1110,1111,
 &end
#
#   76 VAL  MGY          77 ILE  HA          4.50    (#    725:25  Unique         3.38, 5.60 A)
 &rst
  ixpk= 725, nxpk= 25, iat=  -1,1133, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1121,1122,1123,1125,1126,1127,
 &end
#
#    3 LYS  HN            3 LYS  HB+         2.80    (#    726:25  Unique         2.65, 3.23 A)
 &rst
  ixpk= 726, nxpk= 25, iat=  43,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=  47,  48,
 &end
#
#    3 LYS  HN            2 LYS  HB-         4.50    (#    727:25  Unique         3.14, 3.72 A)
 &rst
  ixpk= 727, nxpk= 25, iat=  43,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  25,  26,
 &end
#
#   30 ILE  HA            1 MET  HB+         4.50    (#    730:25  Unique         2.17, 3.31 A)
 &rst
  ixpk= 730, nxpk= 25, iat= 461,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=   8,   9,
 &end
#
#    3 LYS  HA            3 LYS  HB+         2.80    (#    731:25  Unique         2.30, 2.67 A)
 &rst
  ixpk= 731, nxpk= 25, iat=  45,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=  47,  48,
 &end
#
#    1 MET  HA            1 MET  HB+         2.80    (#    732:25  Unique         2.46, 2.83 A)
 &rst
  ixpk= 732, nxpk= 25, iat=   6,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=   8,   9,
 &end
#
#    1 MET  HA            1 MET  HB-         2.80    (#    733:25  Unique         2.46, 2.83 A)
 &rst
  ixpk= 733, nxpk= 25, iat=   6,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=   8,   9,
 &end
#
#   73 TYR  HA            3 LYS  HB+         2.80    (#    734:25  Unique         1.99, 2.83 A)
 &rst
  ixpk= 734, nxpk= 25, iat=1068,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=  47,  48,
 &end
#
#    0 AMB  25-2:735      0 AMB  25-1:735    2.80    (#    735:25  Double Ambig)
 &rst
  ixpk= 735, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.61, r4= 5.36,
 igr1=  15,  16,  17,  50,  51,
 igr2=   8,   9,  47,  48,
 &end
#
#    1 MET  ME            1 MET  HG-         5.50    (#    736:25  Unique         2.57, 3.41 A)
 &rst
  ixpk= 736, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=  15,  16,  17,
 igr2=  11,  12,
 &end
#
#    1 MET  HA            1 MET  HG-         3.50    (#    737:25  Unique         2.75, 3.38 A)
 &rst
  ixpk= 737, nxpk= 25, iat=   6,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  11,  12,
 &end
#
#    1 MET  HA            1 MET  HG+         3.50    (#    738:25  Unique         2.75, 3.38 A)
 &rst
  ixpk= 738, nxpk= 25, iat=   6,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  11,  12,
 &end
#
#   30 ILE  HA            1 MET  HG-         3.50    (#    739:25  Unique         2.46, 3.61 A)
 &rst
  ixpk= 739, nxpk= 25, iat= 461,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  11,  12,
 &end
#
#   30 ILE  HA            1 MET  HG+         3.50    (#    740:25  Unique         2.46, 3.61 A)
 &rst
  ixpk= 740, nxpk= 25, iat= 461,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  11,  12,
 &end
#
#    2 LYS  HN            1 MET  HG-         4.50    (#    741:25  Unique         1.93, 3.73 A)
 &rst
  ixpk= 741, nxpk= 25, iat=  21,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  11,  12,
 &end
#
#    2 LYS  HN            1 MET  HG+         4.50    (#    742:25  Unique         1.93, 3.73 A)
 &rst
  ixpk= 742, nxpk= 25, iat=  21,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  11,  12,
 &end
#
#   31 ALA  HN            1 MET  HG-         4.50    (#    743:25  Unique         4.02, 4.91 A)
 &rst
  ixpk= 743, nxpk= 25, iat= 478,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  11,  12,
 &end
#
#   43 HIS  HB+          43 HIS  HA          3.50    (#    744:25  Unique         2.26, 2.74 A)
 &rst
  ixpk= 744, nxpk= 25, iat=  -1, 645, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 647, 648,
 &end
#
#    0 AMB  25-2:745      0 AMB  25-1:745    3.50    (#    745:25  Double Ambig)
 &rst
  ixpk= 745, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=  50,  51, 610, 611,
 igr2=  23, 645,
 &end
#
#   74 ASP  HN            2 LYS  HB+         4.50    (#    746:25  Unique         4.29, 5.15 A)
 &rst
  ixpk= 746, nxpk= 25, iat=1087,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  25,  26,
 &end
#
#   74 ASP  HN            2 LYS  HB-         4.50    (#    747:25  Unique         4.29, 5.15 A)
 &rst
  ixpk= 747, nxpk= 25, iat=1087,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  25,  26,
 &end
#
#    2 LYS  HA            2 LYS  HB-         3.50    (#    748:25  Unique         2.27, 2.72 A)
 &rst
  ixpk= 748, nxpk= 25, iat=  23,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  25,  26,
 &end
#
#    2 LYS  HA            2 LYS  HB+         2.80    (#    749:25  Unique         2.27, 2.72 A)
 &rst
  ixpk= 749, nxpk= 25, iat=  23,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=  25,  26,
 &end
#
#    2 LYS  HE-           2 LYS  HB-         3.50    (#    750:25  Unique         2.39, 3.56 A)
 &rst
  ixpk= 750, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=  34,  35,
 igr2=  25,  26,
 &end
#
#   74 ASP  HB-           2 LYS  HB-         3.50    (#    751:25  Unique         2.24, 3.65 A)
 &rst
  ixpk= 751, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1091,1092,
 igr2=  25,  26,
 &end
#
#   30 ILE  QG2           2 LYS  HB-         3.50    (#    752:25  Unique         2.07, 3.89 A)
 &rst
  ixpk= 752, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 465, 466, 467,
 igr2=  25,  26,
 &end
#
#    0 AMB  25-2:753      2 LYS  HB-         3.50    (#    753:25  Single Ambig)
 &rst
  ixpk= 753, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1105,1106,1107,1109,1110,1111,1985,1986,1987,
 igr2=  25,  26,
 &end
#
#   23 LYS  HB+          23 LYS  HG-         2.80    (#    754:25  Unique         2.36, 2.77 A)
 &rst
  ixpk= 754, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 362, 363,
 igr2= 365, 366,
 &end
#
#   74 ASP  HB-           2 LYS  HG-         4.50    (#    755:25  Unique         3.46, 4.27 A)
 &rst
  ixpk= 755, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1091,1092,
 igr2=  28,  29,
 &end
#
#    2 LYS  HE+           2 LYS  HG+         2.80    (#    756:25  Unique         2.44, 3.51 A)
 &rst
  ixpk= 756, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=  34,  35,
 igr2=  28,  29,
 &end
#
#    2 LYS  HE-           2 LYS  HG-         2.80    (#    757:25  Unique         2.44, 3.51 A)
 &rst
  ixpk= 757, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=  34,  35,
 igr2=  28,  29,
 &end
#
#    2 LYS  HA            2 LYS  HG-         3.50    (#    758:25  Unique         2.47, 3.19 A)
 &rst
  ixpk= 758, nxpk= 25, iat=  23,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  28,  29,
 &end
#
#    2 LYS  HN            2 LYS  HG+         3.50    (#    761:25  Unique         2.03, 3.44 A)
 &rst
  ixpk= 761, nxpk= 25, iat=  21,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  28,  29,
 &end
#
#   74 ASP  HN            2 LYS  HG-         5.50    (#    762:25  Unique         5.98, 6.31 A)
 &rst
  ixpk= 762, nxpk= 25, iat=1087,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  28,  29,
 &end
#
#    3 LYS  HN            0 AMB  25-1:763    4.50    (#    763:25  Single Ambig)
 &rst
  ixpk= 763, nxpk= 25, iat=  43,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2=  53,  54,  31,  32,
 &end
#
#   74 ASP  HN            3 LYS  HD+         4.50    (#    764:25  Unique         4.36, 5.17 A)
 &rst
  ixpk= 764, nxpk= 25, iat=1087,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  53,  54,
 &end
#
#    3 LYS  HA            0 AMB  25-1:765    4.50    (#    765:25  Single Ambig)
 &rst
  ixpk= 765, nxpk= 25, iat=  45,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2=  53,  54,  31,  32,
 &end
#
#   73 TYR  HA            3 LYS  HD+         3.50    (#    766:25  Unique         2.45, 3.43 A)
 &rst
  ixpk= 766, nxpk= 25, iat=1068,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  53,  54,
 &end
#
#    0 AMB  25-2:767      0 AMB  25-1:767    3.50    (#    767:25  Double Ambig)
 &rst
  ixpk= 767, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=   6,  23,1993,
 igr2=  31,  32,  31,  32,  31,  32,
 &end
#
#    0 AMB  25-2:768      2 LYS  HD-         3.50    (#    768:25  Single Ambig)
 &rst
  ixpk= 768, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=   6,  23,
 igr2=  31,  32,
 &end
#
#    2 LYS  HE-           2 LYS  HD+         3.50    (#    769:25  Unique         2.22, 2.72 A)
 &rst
  ixpk= 769, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=  34,  35,
 igr2=  31,  32,
 &end
#
#    0 AMB  25-2:770      2 LYS  HD-         2.80    (#    770:25  Single Ambig)
 &rst
  ixpk= 770, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 465, 466, 467,1978,1979,1980,
 igr2=  31,  32,
 &end
#
#    4 VAL  MGY           3 LYS  HA          3.50    (#    771:25  Unique         3.31, 5.61 A)
 &rst
  ixpk= 771, nxpk= 25, iat=  -1,  45, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=  71,  72,  73,  75,  76,  77,
 &end
#
#    3 LYS  HG+           3 LYS  HA          2.80    (#    772:25  Unique         2.66, 3.02 A)
 &rst
  ixpk= 772, nxpk= 25, iat=  -1,  45, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=  50,  51,
 &end
#
#  100 GLN  HB-          79 LEU  HA          5.50    (#    773:25  Unique         4.72, 6.19 A)
 &rst
  ixpk= 773, nxpk= 25, iat=  -1,1163, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1488,1489,
 &end
#
#   73 TYR  HB+           3 LYS  HA          4.50    (#    774:25  Unique         4.69, 5.60 A)
 &rst
  ixpk= 774, nxpk= 25, iat=  -1,  45, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1070,1071,
 &end
#
#   73 TYR  HD            3 LYS  HA          5.50    (#    775:25  Unique         3.89, 5.83 A)
 &rst
  ixpk= 775, nxpk= 25, iat=  -1,  45, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1074,1083,
 &end
#
#   31 ALA  HN            3 LYS  HA          2.80    (#    776:25  Unique         2.52, 2.79 A)
 &rst
  ixpk= 776, nxpk= 25, iat= 478,  45, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    3 LYS  HN            3 LYS  HA          3.50    (#    777:25  Unique         2.93, 2.96 A)
 &rst
  ixpk= 777, nxpk= 25, iat=  43,  45, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:778      4 VAL  HB          3.50    (#    778:25  Single Ambig)
 &rst
  ixpk= 778, nxpk= 25, iat=  -1,  69, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 504, 478,
 &end
#
#   73 TYR  HD            3 LYS  HB+         3.50    (#    779:25  Unique         2.28, 3.89 A)
 &rst
  ixpk= 779, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1074,1083,
 igr2=  47,  48,
 &end
#
#    3 LYS  HE+           3 LYS  HG+         4.50    (#    780:25  Unique         2.51, 3.38 A)
 &rst
  ixpk= 780, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=  56,  57,
 igr2=  50,  51,
 &end
#
#    3 LYS  HA            3 LYS  HG+         4.50    (#    781:25  Unique         2.66, 3.02 A)
 &rst
  ixpk= 781, nxpk= 25, iat=  45,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  50,  51,
 &end
#
#    3 LYS  HA            3 LYS  HG-         3.50    (#    782:25  Unique         2.66, 3.02 A)
 &rst
  ixpk= 782, nxpk= 25, iat=  45,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  50,  51,
 &end
#
#    3 LYS  HA            3 LYS  HG+         3.50    (#    783:25  Unique         2.66, 3.02 A)
 &rst
  ixpk= 783, nxpk= 25, iat=  45,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  50,  51,
 &end
#
#  130 ILE  HN          130 ILE  HG1+        2.80    (#    784:25  Unique         1.88, 2.22 A)
 &rst
  ixpk= 784, nxpk= 25, iat=1972,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1982,1983,
 &end
#
#  130 ILE  HN          130 ILE  HG1-        2.80    (#    785:25  Unique         1.88, 2.22 A)
 &rst
  ixpk= 785, nxpk= 25, iat=1972,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1982,1983,
 &end
#
#    3 LYS  HN            3 LYS  HG+         3.50    (#    786:25  Unique         2.14, 2.86 A)
 &rst
  ixpk= 786, nxpk= 25, iat=  43,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  50,  51,
 &end
#
#    3 LYS  HN            3 LYS  HG-         5.50    (#    787:25  Unique         2.14, 2.86 A)
 &rst
  ixpk= 787, nxpk= 25, iat=  43,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  50,  51,
 &end
#
#    0 AMB  25-2:789      0 AMB  25-1:789    3.50    (#    789:25  Double Ambig)
 &rst
  ixpk= 789, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 439,1974,
 igr2=  34,  35,  34,  35, 450, 451,
 &end
#
#  131 SER  HA            2 LYS  HE+         3.50    (#    790:25  Unique         2.33, 3.59 A)
 &rst
  ixpk= 790, nxpk= 25, iat=1993,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  34,  35,
 &end
#
#    0 AMB  25-2:791      4 VAL  HA          5.50    (#    791:25  Single Ambig)
 &rst
  ixpk= 791, nxpk= 25, iat=  -1,  67, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 465, 466, 467,1978,1979,1980,1407,1408,1409,1400,
      1401,1402,
 &end
#
#    0 AMB  25-2:792      4 VAL  HA          4.50    (#    792:25  Single Ambig)
 &rst
  ixpk= 792, nxpk= 25, iat=  -1,  67, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=  85,  86,1911,1912,1913,1915,1916,1917,
 &end
#
#    4 VAL  HB            4 VAL  HA          3.50    (#    793:25  Unique         3.00, 3.02 A)
 &rst
  ixpk= 793, nxpk= 25, iat=  69,  67, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   32 VAL  HA            4 VAL  HB          2.80    (#    794:25  Unique         2.26, 2.56 A)
 &rst
  ixpk= 794, nxpk= 25, iat= 490,  69, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   32 VAL  MGX           4 VAL  HB          3.50    (#    795:25  Unique         2.26, 4.14 A)
 &rst
  ixpk= 795, nxpk= 25, iat=  -1,  69, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 494, 495, 496, 498, 499, 500,
 &end
#
#   32 VAL  MGY           4 VAL  HB          2.80    (#    796:25  Unique         2.26, 4.14 A)
 &rst
  ixpk= 796, nxpk= 25, iat=  -1,  69, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 494, 495, 496, 498, 499, 500,
 &end
#
#   75 VAL  HB            4 VAL  MGX         3.50    (#    799:25  Unique         2.15, 3.60 A)
 &rst
  ixpk= 799, nxpk= 25, iat=1103,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=  71,  72,  73,  75,  76,  77,
 &end
#
#   90 TRP  HB+          91 VAL  MGY         4.50    (#    800:25  Unique         3.00, 5.27 A)
 &rst
  ixpk= 800, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1312,1313,
 igr2=1338,1339,1340,1342,1343,1344,
 &end
#
#    4 VAL  HA            4 VAL  MGX         3.50    (#    803:25  Unique         2.25, 3.15 A)
 &rst
  ixpk= 803, nxpk= 25, iat=  67,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=  71,  72,  73,  75,  76,  77,
 &end
#
#   76 VAL  HA            4 VAL  MGX         5.50    (#    804:25  Unique         3.82, 5.73 A)
 &rst
  ixpk= 804, nxpk= 25, iat=1117,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=  71,  72,  73,  75,  76,  77,
 &end
#
#    6 PHE  HD            4 VAL  MGX         3.50    (#    805:25  Unique         3.26, 6.30 A)
 &rst
  ixpk= 805, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 106, 114,
 igr2=  71,  72,  73,  75,  76,  77,
 &end
#
#   96 PHE  HD           91 VAL  MGY         3.50    (#    806:25  Unique         2.32, 6.16 A)
 &rst
  ixpk= 806, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1421,1429,
 igr2=1338,1339,1340,1342,1343,1344,
 &end
#
#    5 MET  HN            4 VAL  MGX         3.50    (#    808:25  Unique         2.16, 3.84 A)
 &rst
  ixpk= 808, nxpk= 25, iat=  81,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=  71,  72,  73,  75,  76,  77,
 &end
#
#    4 VAL  HN            4 VAL  MGX         4.50    (#    809:25  Unique         2.55, 4.08 A)
 &rst
  ixpk= 809, nxpk= 25, iat=  65,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=  71,  72,  73,  75,  76,  77,
 &end
#
#    4 VAL  HN            4 VAL  MGY         3.50    (#    810:25  Unique         2.55, 4.08 A)
 &rst
  ixpk= 810, nxpk= 25, iat=  65,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=  71,  72,  73,  75,  76,  77,
 &end
#
#   75 VAL  HN            4 VAL  MGY         4.50    (#    811:25  Unique         4.03, 5.31 A)
 &rst
  ixpk= 811, nxpk= 25, iat=1099,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=  71,  72,  73,  75,  76,  77,
 &end
#
#    6 PHE  HE            4 VAL  MGY         5.50    (#    812:25  Unique         2.25, 4.90 A)
 &rst
  ixpk= 812, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 108, 112,
 igr2=  71,  72,  73,  75,  76,  77,
 &end
#
#   30 ILE  HG1+          4 VAL  MGY         3.50    (#    815:25  Unique         3.11, 6.12 A)
 &rst
  ixpk= 815, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 469, 470,
 igr2=  71,  72,  73,  75,  76,  77,
 &end
#
#  126 LEU  MDY           4 VAL  MGY         2.80    (#    816:25  Unique         2.30, 4.44 A)
 &rst
  ixpk= 816, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=1911,1912,1913,1915,1916,1917,
 igr2=  71,  72,  73,  75,  76,  77,
 &end
#
#    5 MET  HB-           5 MET  HA          3.50    (#    817:25  Unique         2.40, 2.75 A)
 &rst
  ixpk= 817, nxpk= 25, iat=  -1,  83, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=  85,  86,
 &end
#
#    5 MET  HG+           5 MET  HA          3.50    (#    818:25  Unique         2.30, 3.41 A)
 &rst
  ixpk= 818, nxpk= 25, iat=  -1,  83, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=  88,  89,
 &end
#
#    5 MET  HB+           5 MET  HA          3.50    (#    819:25  Unique         2.40, 2.75 A)
 &rst
  ixpk= 819, nxpk= 25, iat=  -1,  83, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=  85,  86,
 &end
#
#   34 SER  HA            5 MET  HA          4.50    (#    820:25  Unique         3.63, 3.93 A)
 &rst
  ixpk= 820, nxpk= 25, iat= 520,  83, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    5 MET  HN            5 MET  HA          3.50    (#    821:25  Unique         2.92, 2.95 A)
 &rst
  ixpk= 821, nxpk= 25, iat=  81,  83, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   77 ILE  HN            5 MET  HB+         4.50    (#    822:25  Unique         3.41, 4.50 A)
 &rst
  ixpk= 822, nxpk= 25, iat=1131,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  85,  86,
 &end
#
#   49 MET  HA           49 MET  HB-         3.50    (#    823:25  Unique         2.47, 2.80 A)
 &rst
  ixpk= 823, nxpk= 25, iat= 729,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 731, 732,
 &end
#
#    0 AMB  25-2:824      0 AMB  25-1:824    4.50    (#    824:25  Double Ambig)
 &rst
  ixpk= 824, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1=1070,1071,  56,  57,
 igr2=  85,  86,  85,  86,
 &end
#
#   49 MET  HG+          49 MET  HB-         2.80    (#    825:25  Unique         2.16, 2.61 A)
 &rst
  ixpk= 825, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 734, 735,
 igr2= 731, 732,
 &end
#
#   76 VAL  MGX           5 MET  HB+         3.50    (#    826:25  Unique         2.14, 4.91 A)
 &rst
  ixpk= 826, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1121,1122,1123,1125,1126,1127,
 igr2=  85,  86,
 &end
#
#    7 VAL  MGY           5 MET  HB+         3.50    (#    827:25  Unique         4.07, 6.41 A)
 &rst
  ixpk= 827, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 124, 125, 126, 128, 129, 130,
 igr2=  85,  86,
 &end
#
#    5 MET  HA            5 MET  HB-         3.50    (#    828:25  Unique         2.40, 2.75 A)
 &rst
  ixpk= 828, nxpk= 25, iat=  83,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  85,  86,
 &end
#
#    5 MET  HN            5 MET  HB-         4.50    (#    829:25  Unique         2.63, 3.02 A)
 &rst
  ixpk= 829, nxpk= 25, iat=  81,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  85,  86,
 &end
#
#   90 TRP  HZ3           5 MET  HB-         5.50    (#    830:25  Unique         2.97, 3.70 A)
 &rst
  ixpk= 830, nxpk= 25, iat=1325,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  85,  86,
 &end
#
#    6 PHE  HE            5 MET  HB-         5.50    (#    831:25  Unique         6.58, 7.78 A)
 &rst
  ixpk= 831, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 108, 112,
 igr2=  85,  86,
 &end
#
#   76 VAL  MGX           5 MET  HB-         4.50    (#    832:25  Unique         2.14, 4.91 A)
 &rst
  ixpk= 832, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1121,1122,1123,1125,1126,1127,
 igr2=  85,  86,
 &end
#
#    5 MET  ME            5 MET  HB-         4.50    (#    833:25  Unique         2.30, 4.15 A)
 &rst
  ixpk= 833, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=  92,  93,  94,
 igr2=  85,  86,
 &end
#
#    7 VAL  MGY           5 MET  HG+         3.50    (#    834:25  Unique         2.18, 4.67 A)
 &rst
  ixpk= 834, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 124, 125, 126, 128, 129, 130,
 igr2=  88,  89,
 &end
#
#    5 MET  ME            5 MET  HG+         3.50    (#    835:25  Unique         2.30, 3.54 A)
 &rst
  ixpk= 835, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=  92,  93,  94,
 igr2=  88,  89,
 &end
#
#    5 MET  HB-           5 MET  HG+         2.80    (#    836:25  Unique         2.36, 2.61 A)
 &rst
  ixpk= 836, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=  85,  86,
 igr2=  88,  89,
 &end
#
#    5 MET  HA            5 MET  HG+         5.50    (#    837:25  Unique         2.30, 3.41 A)
 &rst
  ixpk= 837, nxpk= 25, iat=  83,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  88,  89,
 &end
#
#   63 ASP  HN           35 CYS  HA          4.50    (#    838:25  Unique         2.19, 3.84 A)
 &rst
  ixpk= 838, nxpk= 25, iat= 924, 531, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   36 GLY  HN           35 CYS  HA          2.80    (#    839:25  Unique         2.19, 2.46 A)
 &rst
  ixpk= 839, nxpk= 25, iat= 540, 531, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    6 PHE  HN            6 PHE  HA          4.50    (#    840:25  Unique         2.95, 2.97 A)
 &rst
  ixpk= 840, nxpk= 25, iat=  98, 100, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:841      0 AMB  25-1:841    5.50    (#    841:25  Double Ambig)
 &rst
  ixpk= 841, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 134, 518,
 igr2= 531, 100,
 &end
#
#    6 PHE  HD            6 PHE  HA          3.50    (#    842:25  Unique         2.13, 3.45 A)
 &rst
  ixpk= 842, nxpk= 25, iat=  -1, 100, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 106, 114,
 &end
#
#   68 PHE  HZ           35 CYS  HA          5.50    (#    843:25  Unique         3.65, 4.55 A)
 &rst
  ixpk= 843, nxpk= 25, iat=1010, 531, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   35 CYS  HB+          35 CYS  HA          2.80    (#    846:25  Unique         2.41, 2.55 A)
 &rst
  ixpk= 846, nxpk= 25, iat=  -1, 531, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 533, 534,
 &end
#
#   77 ILE  HB            6 PHE  HA          2.80    (#    848:25  Unique         2.42, 2.76 A)
 &rst
  ixpk= 848, nxpk= 25, iat=1135, 100, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   79 LEU  MDX           6 PHE  HA          4.50    (#    849:25  Unique         3.20, 5.43 A)
 &rst
  ixpk= 849, nxpk= 25, iat=  -1, 100, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1170,1171,1172,1174,1175,1176,
 &end
#
#  126 LEU  MDX           6 PHE  HA          5.50    (#    851:25  Unique         6.54, 7.96 A)
 &rst
  ixpk= 851, nxpk= 25, iat=  -1, 100, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1911,1912,1913,1915,1916,1917,
 &end
#
#    7 VAL  MGY           6 PHE  HA          3.50    (#    852:25  Unique         3.15, 5.51 A)
 &rst
  ixpk= 852, nxpk= 25, iat=  -1, 100, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 124, 125, 126, 128, 129, 130,
 &end
#
#   18 ALA  MB            6 PHE  HB-         5.50    (#    853:25  Unique         2.94, 4.68 A)
 &rst
  ixpk= 853, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 300, 301, 302,
 igr2= 102, 103,
 &end
#
#   18 ALA  MB            6 PHE  HB+         5.50    (#    854:25  Unique         2.94, 4.68 A)
 &rst
  ixpk= 854, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 300, 301, 302,
 igr2= 102, 103,
 &end
#
#   79 LEU  MDX           6 PHE  HB-         4.50    (#    855:25  Unique         2.75, 5.56 A)
 &rst
  ixpk= 855, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1170,1171,1172,1174,1175,1176,
 igr2= 102, 103,
 &end
#
#   79 LEU  MDX           6 PHE  HB+         4.50    (#    856:25  Unique         2.75, 5.56 A)
 &rst
  ixpk= 856, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1170,1171,1172,1174,1175,1176,
 igr2= 102, 103,
 &end
#
#    0 AMB  25-2:857      6 PHE  HB-         5.50    (#    857:25  Single Ambig)
 &rst
  ixpk= 857, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1135,1165,1166,
 igr2= 102, 103,
 &end
#
#    0 AMB  25-2:858      0 AMB  25-1:858    4.50    (#    858:25  Double Ambig)
 &rst
  ixpk= 858, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1135,1165,1166,
 igr2= 102, 103, 102, 103,
 &end
#
#    0 AMB  25-2:859      6 PHE  HB-         3.50    (#    859:25  Single Ambig)
 &rst
  ixpk= 859, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 522, 523, 253,
 igr2= 102, 103,
 &end
#
#    0 AMB  25-2:860      0 AMB  25-1:860    3.50    (#    860:25  Double Ambig)
 &rst
  ixpk= 860, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 522, 523, 253,
 igr2= 102, 103, 102, 103,
 &end
#
#  123 VAL  HA          126 LEU  HB+         3.50    (#    861:25  Unique         2.78, 3.67 A)
 &rst
  ixpk= 861, nxpk= 25, iat=1859,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1906,1907,
 &end
#
#  126 LEU  HA          126 LEU  HB+         3.50    (#    862:25  Unique         2.17, 2.56 A)
 &rst
  ixpk= 862, nxpk= 25, iat=1904,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1906,1907,
 &end
#
#    6 PHE  HA            6 PHE  HB-         3.50    (#    863:25  Unique         2.43, 2.75 A)
 &rst
  ixpk= 863, nxpk= 25, iat= 100,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 102, 103,
 &end
#
#    6 PHE  HA            6 PHE  HB+         4.50    (#    864:25  Unique         2.43, 2.75 A)
 &rst
  ixpk= 864, nxpk= 25, iat= 100,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 102, 103,
 &end
#
#    6 PHE  HD            6 PHE  HB-         3.50    (#    865:25  Unique         2.42, 3.09 A)
 &rst
  ixpk= 865, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 106, 114,
 igr2= 102, 103,
 &end
#
#    6 PHE  HD            6 PHE  HB+         3.50    (#    866:25  Unique         2.42, 3.09 A)
 &rst
  ixpk= 866, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 106, 114,
 igr2= 102, 103,
 &end
#
#    6 PHE  HN            6 PHE  HB-         5.50    (#    867:25  Unique         2.46, 3.12 A)
 &rst
  ixpk= 867, nxpk= 25, iat=  98,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 102, 103,
 &end
#
#    6 PHE  HN            6 PHE  HB+         4.50    (#    868:25  Unique         2.46, 3.12 A)
 &rst
  ixpk= 868, nxpk= 25, iat=  98,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 102, 103,
 &end
#
#   35 CYS  HN            7 VAL  HA          4.50    (#    869:25  Unique         2.59, 2.92 A)
 &rst
  ixpk= 869, nxpk= 25, iat= 529, 120, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    8 CYS  HN            7 VAL  HA          3.50    (#    870:25  Unique         2.08, 2.20 A)
 &rst
  ixpk= 870, nxpk= 25, iat= 134, 120, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    7 VAL  HB            7 VAL  HA          4.50    (#    871:25  Unique         3.00, 3.01 A)
 &rst
  ixpk= 871, nxpk= 25, iat= 122, 120, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    7 VAL  MGX           7 VAL  HA          3.50    (#    872:25  Unique         2.40, 3.17 A)
 &rst
  ixpk= 872, nxpk= 25, iat=  -1, 120, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 124, 125, 126, 128, 129, 130,
 &end
#
#    7 VAL  MGY           7 VAL  HA          3.50    (#    873:25  Unique         2.40, 3.17 A)
 &rst
  ixpk= 873, nxpk= 25, iat=  -1, 120, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 124, 125, 126, 128, 129, 130,
 &end
#
#   78 SER  HA            7 VAL  HB          4.50    (#    874:25  Unique         1.99, 2.05 A)
 &rst
  ixpk= 874, nxpk= 25, iat=1152, 122, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    7 VAL  HA            7 VAL  HB          4.50    (#    876:25  Unique         3.00, 3.01 A)
 &rst
  ixpk= 876, nxpk= 25, iat= 120, 122, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    7 VAL  HN            7 VAL  HB          2.80    (#    877:25  Unique         2.62, 2.77 A)
 &rst
  ixpk= 877, nxpk= 25, iat= 118, 122, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    7 VAL  HN            7 VAL  MGY         3.50    (#    878:25  Unique         2.17, 3.92 A)
 &rst
  ixpk= 878, nxpk= 25, iat= 118,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 124, 125, 126, 128, 129, 130,
 &end
#
#    8 CYS  HN            7 VAL  MGX         3.50    (#    879:25  Unique         2.31, 4.42 A)
 &rst
  ixpk= 879, nxpk= 25, iat= 134,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 124, 125, 126, 128, 129, 130,
 &end
#
#    8 CYS  HN            7 VAL  MGY         5.50    (#    880:25  Unique         2.31, 4.42 A)
 &rst
  ixpk= 880, nxpk= 25, iat= 134,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 124, 125, 126, 128, 129, 130,
 &end
#
#   36 GLY  HA-           7 VAL  MGX         4.50    (#    881:25  Unique         2.49, 6.10 A)
 &rst
  ixpk= 881, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 542, 543,
 igr2= 124, 125, 126, 128, 129, 130,
 &end
#
#    7 VAL  HA            7 VAL  MGX         3.50    (#    882:25  Unique         2.40, 3.17 A)
 &rst
  ixpk= 882, nxpk= 25, iat= 120,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 124, 125, 126, 128, 129, 130,
 &end
#
#    7 VAL  HA            7 VAL  MGY         3.50    (#    883:25  Unique         2.40, 3.17 A)
 &rst
  ixpk= 883, nxpk= 25, iat= 120,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 124, 125, 126, 128, 129, 130,
 &end
#
#    6 PHE  HA            7 VAL  MGY         4.50    (#    884:25  Unique         3.15, 5.51 A)
 &rst
  ixpk= 884, nxpk= 25, iat= 100,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 124, 125, 126, 128, 129, 130,
 &end
#
#   90 TRP  HB+           7 VAL  MGY         5.50    (#    886:25  Unique         5.07, 7.47 A)
 &rst
  ixpk= 886, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1312,1313,
 igr2= 124, 125, 126, 128, 129, 130,
 &end
#
#   90 TRP  HB+           7 VAL  MGX         5.50    (#    887:25  Unique         5.07, 7.47 A)
 &rst
  ixpk= 887, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1312,1313,
 igr2= 124, 125, 126, 128, 129, 130,
 &end
#
#   79 LEU  HB+           7 VAL  MGY         5.50    (#    888:25  Unique         5.52, 7.61 A)
 &rst
  ixpk= 888, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1165,1166,
 igr2= 124, 125, 126, 128, 129, 130,
 &end
#
#    0 AMB  25-2:889      7 VAL  MGY         5.50    (#    889:25  Single Ambig)
 &rst
  ixpk= 889, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.25, r4=11.00,
 igr1=1121,1122,1123,1125,1126,1127, 954,
 igr2= 124, 125, 126, 128, 129, 130,
 &end
#
#   76 VAL  MGY           7 VAL  MGY         4.50    (#    890:25  Unique         2.59, 6.26 A)
 &rst
  ixpk= 890, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1=1121,1122,1123,1125,1126,1127,
 igr2= 124, 125, 126, 128, 129, 130,
 &end
#
#   65 ILE  QD1           7 VAL  MGX         3.50    (#    891:25  Unique         2.19, 4.43 A)
 &rst
  ixpk= 891, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 963, 964, 965,
 igr2= 124, 125, 126, 128, 129, 130,
 &end
#
#   65 ILE  QD1           7 VAL  MGY         4.50    (#    892:25  Unique         2.19, 4.43 A)
 &rst
  ixpk= 892, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 963, 964, 965,
 igr2= 124, 125, 126, 128, 129, 130,
 &end
#
#   57 ILE  QD1          17 MET  HA          5.50    (#    893:25  Unique         2.24, 3.50 A)
 &rst
  ixpk= 893, nxpk= 25, iat=  -1, 281, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 858, 859, 860,
 &end
#
#   17 MET  ME           17 MET  HA          3.50    (#    894:25  Unique         1.94, 3.08 A)
 &rst
  ixpk= 894, nxpk= 25, iat=  -1, 281, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 290, 291, 292,
 &end
#
#  119 VAL  MGX          17 MET  HA          5.50    (#    895:25  Unique         4.75, 6.88 A)
 &rst
  ixpk= 895, nxpk= 25, iat=  -1, 281, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1786,1787,1788,1790,1791,1792,
 &end
#
#   17 MET  HB-          17 MET  HA          2.80    (#    896:25  Unique         2.37, 2.77 A)
 &rst
  ixpk= 896, nxpk= 25, iat=  -1, 281, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 283, 284,
 &end
#
#   50 MET  HG+          17 MET  HA          4.50    (#    897:25  Unique         3.30, 4.12 A)
 &rst
  ixpk= 897, nxpk= 25, iat=  -1, 281, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 751, 752,
 &end
#
#   17 MET  HG+          17 MET  HA          3.50    (#    898:25  Unique         2.36, 3.36 A)
 &rst
  ixpk= 898, nxpk= 25, iat=  -1, 281, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 286, 287,
 &end
#
#   17 MET  HN           17 MET  HA          3.50    (#    899:25  Unique         2.82, 2.87 A)
 &rst
  ixpk= 899, nxpk= 25, iat= 279, 281, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  119 VAL  HN          118 GLN  HG-         5.50    (#    900:25  Unique         3.99, 4.60 A)
 &rst
  ixpk= 900, nxpk= 25, iat=1780,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1770,1771,
 &end
#
#  100 GLN  HE2+        100 GLN  HG+         3.50    (#    901:25  Unique         2.22, 3.42 A)
 &rst
  ixpk= 901, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1496,1497,
 igr2=1491,1492,
 &end
#
#   22 ALA  MB           18 ALA  HA          4.50    (#    902:25  Unique         4.35, 5.31 A)
 &rst
  ixpk= 902, nxpk= 25, iat=  -1, 298, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 352, 353, 354,
 &end
#
#  123 VAL  HB           18 ALA  HA          5.50    (#    903:25  Unique         4.32, 4.66 A)
 &rst
  ixpk= 903, nxpk= 25, iat=1861, 298, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  119 VAL  HB           18 ALA  HA          4.50    (#    904:25  Unique         4.40, 4.48 A)
 &rst
  ixpk= 904, nxpk= 25, iat=1784, 298, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:905     18 ALA  HA          5.50    (#    905:25  Single Ambig)
 &rst
  ixpk= 905, nxpk= 25, iat=  -1, 298, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1798, 102, 103,
 &end
#
#   21 PHE  HB-          18 ALA  HA          3.50    (#    906:25  Unique         2.71, 3.68 A)
 &rst
  ixpk= 906, nxpk= 25, iat=  -1, 298, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 332, 333,
 &end
#
#   21 PHE  HB+          18 ALA  HA          4.50    (#    907:25  Unique         2.71, 3.68 A)
 &rst
  ixpk= 907, nxpk= 25, iat=  -1, 298, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 332, 333,
 &end
#
#    0 AMB  25-2:908     18 ALA  HA          4.50    (#    908:25  Single Ambig)
 &rst
  ixpk= 908, nxpk= 25, iat=  -1, 298, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 281, 350,
 &end
#
#   21 PHE  HD           18 ALA  HA          3.50    (#    909:25  Unique         2.82, 4.73 A)
 &rst
  ixpk= 909, nxpk= 25, iat=  -1, 298, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 336, 344,
 &end
#
#   18 ALA  HN           18 ALA  HA          3.50    (#    910:25  Unique         2.81, 2.85 A)
 &rst
  ixpk= 910, nxpk= 25, iat= 296, 298, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   21 PHE  HN           18 ALA  HA          4.50    (#    911:25  Unique         3.23, 3.35 A)
 &rst
  ixpk= 911, nxpk= 25, iat= 328, 298, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   56 ASP  HN           55 ILE  QG2         3.50    (#    912:25  Unique         2.08, 3.01 A)
 &rst
  ixpk= 912, nxpk= 25, iat= 833,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 820, 821, 822,
 &end
#
#   19 GLU  HN           18 ALA  MB          3.50    (#    913:25  Unique         2.64, 3.59 A)
 &rst
  ixpk= 913, nxpk= 25, iat= 306,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 300, 301, 302,
 &end
#
#   18 ALA  HN           18 ALA  MB          3.50    (#    914:25  Unique         2.34, 2.88 A)
 &rst
  ixpk= 914, nxpk= 25, iat= 296,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 300, 301, 302,
 &end
#
#    6 PHE  HE           18 ALA  MB          3.50    (#    916:25  Unique         2.73, 4.85 A)
 &rst
  ixpk= 916, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 108, 112,
 igr2= 300, 301, 302,
 &end
#
#   99 TRP  HZ3          18 ALA  MB          3.50    (#    917:25  Unique         2.36, 3.54 A)
 &rst
  ixpk= 917, nxpk= 25, iat=1477,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 300, 301, 302,
 &end
#
#   55 ILE  HA           55 ILE  QG2         3.50    (#    919:25  Unique         2.65, 3.36 A)
 &rst
  ixpk= 919, nxpk= 25, iat= 816,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 820, 821, 822,
 &end
#
#   15 SER  HA           18 ALA  MB          2.80    (#    920:25  Unique         2.47, 3.35 A)
 &rst
  ixpk= 920, nxpk= 25, iat= 253,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 300, 301, 302,
 &end
#
#   20 GLY  HA+          55 ILE  QG2         3.50    (#    921:25  Unique         2.29, 3.63 A)
 &rst
  ixpk= 921, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 323, 324,
 igr2= 820, 821, 822,
 &end
#
#   56 ASP  HB+          55 ILE  QG2         4.50    (#    922:25  Unique         3.99, 5.31 A)
 &rst
  ixpk= 922, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 837, 838,
 igr2= 820, 821, 822,
 &end
#
#    6 PHE  HB-          18 ALA  MB          3.50    (#    923:25  Unique         2.94, 4.68 A)
 &rst
  ixpk= 923, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 102, 103,
 igr2= 300, 301, 302,
 &end
#
#    0 AMB  25-2:924      0 AMB  25-1:924    3.50    (#    924:25  Double Ambig)
 &rst
  ixpk= 924, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 283, 284, 313, 314,
 igr2= 300, 301, 302, 820, 821, 822,
 &end
#
#   50 MET  HB-          55 ILE  QG2         3.50    (#    925:25  Unique         2.26, 3.75 A)
 &rst
  ixpk= 925, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 748, 749,
 igr2= 820, 821, 822,
 &end
#
#   18 ALA  MB           19 GLU  HA          5.50    (#    927:25  Unique         4.20, 5.00 A)
 &rst
  ixpk= 927, nxpk= 25, iat=  -1, 308, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 300, 301, 302,
 &end
#
#   32 VAL  MGY          19 GLU  HA          3.50    (#    928:25  Unique         2.04, 4.11 A)
 &rst
  ixpk= 928, nxpk= 25, iat=  -1, 308, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 494, 495, 496, 498, 499, 500,
 &end
#
#    6 PHE  HD           19 GLU  HA          4.50    (#    929:25  Unique         3.07, 4.50 A)
 &rst
  ixpk= 929, nxpk= 25, iat=  -1, 308, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 106, 114,
 &end
#
#    6 PHE  HE           19 GLU  HA          3.50    (#    930:25  Unique         2.56, 4.45 A)
 &rst
  ixpk= 930, nxpk= 25, iat=  -1, 308, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 108, 112,
 &end
#
#    0 AMB  25-2:931     19 GLU  HA          3.50    (#    931:25  Single Ambig)
 &rst
  ixpk= 931, nxpk= 25, iat=  -1, 308, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 306, 321,
 &end
#
#   23 LYS  HN           19 GLU  HA          5.50    (#    932:25  Unique         3.35, 3.64 A)
 &rst
  ixpk= 932, nxpk= 25, iat= 358, 308, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   22 ALA  HN           19 GLU  HA          5.50    (#    933:25  Unique         3.07, 3.35 A)
 &rst
  ixpk= 933, nxpk= 25, iat= 348, 308, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   32 VAL  MGX          19 GLU  HG+         3.50    (#    934:25  Unique         2.10, 4.33 A)
 &rst
  ixpk= 934, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 494, 495, 496, 498, 499, 500,
 igr2= 313, 314,
 &end
#
#   19 GLU  HA           19 GLU  HG+         3.50    (#    935:25  Unique         2.39, 2.78 A)
 &rst
  ixpk= 935, nxpk= 25, iat= 308,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 313, 314,
 &end
#
#    0 AMB  25-2:936      0 AMB  25-1:936    4.50    (#    936:25  Double Ambig)
 &rst
  ixpk= 936, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 321, 306,
 igr2= 313, 314, 313, 314,
 &end
#
#   21 PHE  HN           20 GLY  HA-         4.50    (#    937:25  Unique         2.68, 3.18 A)
 &rst
  ixpk= 937, nxpk= 25, iat= 328,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 323, 324,
 &end
#
#   21 PHE  HN           20 GLY  HA+         4.50    (#    938:25  Unique         2.68, 3.18 A)
 &rst
  ixpk= 938, nxpk= 25, iat= 328,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 323, 324,
 &end
#
#   20 GLY  HN           20 GLY  HA+         2.80    (#    939:25  Unique         2.25, 2.57 A)
 &rst
  ixpk= 939, nxpk= 25, iat= 321,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 323, 324,
 &end
#
#   20 GLY  HN           20 GLY  HA-         2.80    (#    940:25  Unique         2.25, 2.57 A)
 &rst
  ixpk= 940, nxpk= 25, iat= 321,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 323, 324,
 &end
#
#   23 LYS  HE+          20 GLY  HA-         4.50    (#    941:25  Unique         1.99, 4.21 A)
 &rst
  ixpk= 941, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 371, 372,
 igr2= 323, 324,
 &end
#
#   23 LYS  HE+          20 GLY  HA+         5.50    (#    942:25  Unique         1.99, 4.21 A)
 &rst
  ixpk= 942, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 371, 372,
 igr2= 323, 324,
 &end
#
#    0 AMB  25-2:943     20 GLY  HA-         4.50    (#    943:25  Single Ambig)
 &rst
  ixpk= 943, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 313, 314, 362, 363,
 igr2= 323, 324,
 &end
#
#   23 LYS  HG+          20 GLY  HA-         3.50    (#    944:25  Unique         2.23, 3.96 A)
 &rst
  ixpk= 944, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 365, 366,
 igr2= 323, 324,
 &end
#
#   23 LYS  HG+          20 GLY  HA+         4.50    (#    945:25  Unique         2.23, 3.96 A)
 &rst
  ixpk= 945, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 365, 366,
 igr2= 323, 324,
 &end
#
#    0 AMB  25-2:946      0 AMB  25-1:946    4.50    (#    946:25  Double Ambig)
 &rst
  ixpk= 946, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 313, 314, 362, 363,
 igr2= 323, 324, 323, 324,
 &end
#
#   19 GLU  HB+          20 GLY  HA+         5.50    (#    947:25  Unique         4.06, 5.18 A)
 &rst
  ixpk= 947, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 310, 311,
 igr2= 323, 324,
 &end
#
#    0 AMB  25-2:948     20 GLY  HA-         4.50    (#    948:25  Single Ambig)
 &rst
  ixpk= 948, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 310, 311, 748, 749,
 igr2= 323, 324,
 &end
#
#   23 LYS  HG-          20 GLY  HA-         4.50    (#    949:25  Unique         2.23, 3.96 A)
 &rst
  ixpk= 949, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 365, 366,
 igr2= 323, 324,
 &end
#
#   57 ILE  QG2          20 GLY  HA-         2.80    (#    950:25  Unique         2.56, 3.38 A)
 &rst
  ixpk= 950, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 851, 852, 853,
 igr2= 323, 324,
 &end
#
#   55 ILE  QG2          20 GLY  HA+         3.50    (#    951:25  Unique         2.29, 3.63 A)
 &rst
  ixpk= 951, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 820, 821, 822,
 igr2= 323, 324,
 &end
#
#   55 ILE  QG2          20 GLY  HA-         3.50    (#    952:25  Unique         2.29, 3.63 A)
 &rst
  ixpk= 952, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 820, 821, 822,
 igr2= 323, 324,
 &end
#
#   55 ILE  QD1          21 PHE  HA          3.50    (#    953:25  Unique         2.90, 3.62 A)
 &rst
  ixpk= 953, nxpk= 25, iat=  -1, 330, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 827, 828, 829,
 &end
#
#   55 ILE  QG2          21 PHE  HA          5.50    (#    954:25  Unique         4.62, 6.05 A)
 &rst
  ixpk= 954, nxpk= 25, iat=  -1, 330, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 820, 821, 822,
 &end
#
#   17 MET  ME           21 PHE  HA          4.50    (#    955:25  Unique         3.54, 4.91 A)
 &rst
  ixpk= 955, nxpk= 25, iat=  -1, 330, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 290, 291, 292,
 &end
#
#    0 AMB  25-2:956     21 PHE  HA          3.50    (#    956:25  Single Ambig)
 &rst
  ixpk= 956, nxpk= 25, iat=  -1, 330, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1863,1864,1865,1867,1868,1869, 403, 404, 405, 407,
       408, 409,
 &end
#
#    0 AMB  25-2:957     21 PHE  HA          3.50    (#    957:25  Single Ambig)
 &rst
  ixpk= 957, nxpk= 25, iat=  -1, 330, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 386, 387, 388,1863,1864,1865,1867,1868,1869,
 &end
#
#   22 ALA  MB           21 PHE  HA          5.50    (#    958:25  Unique         5.75, 6.09 A)
 &rst
  ixpk= 958, nxpk= 25, iat=  -1, 330, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 352, 353, 354,
 &end
#
#   25 LEU  HG           21 PHE  HA          3.50    (#    959:25  Unique         3.59, 3.63 A)
 &rst
  ixpk= 959, nxpk= 25, iat= 401, 330, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   21 PHE  HB-          21 PHE  HA          3.50    (#    960:25  Unique         2.48, 2.78 A)
 &rst
  ixpk= 960, nxpk= 25, iat=  -1, 330, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 332, 333,
 &end
#
#   21 PHE  HB+          21 PHE  HA          3.50    (#    961:25  Unique         2.48, 2.78 A)
 &rst
  ixpk= 961, nxpk= 25, iat=  -1, 330, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 332, 333,
 &end
#
#   21 PHE  HE           21 PHE  HA          5.50    (#    963:25  Unique         4.44, 5.30 A)
 &rst
  ixpk= 963, nxpk= 25, iat=  -1, 330, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 338, 342,
 &end
#
#   21 PHE  HN           21 PHE  HA          3.50    (#    965:25  Unique         2.91, 2.92 A)
 &rst
  ixpk= 965, nxpk= 25, iat= 328, 330, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:966     21 PHE  HA          4.50    (#    966:25  Single Ambig)
 &rst
  ixpk= 966, nxpk= 25, iat=  -1, 330, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 394, 358,
 &end
#
#   22 ALA  HN           21 PHE  HA          5.50    (#    967:25  Unique         3.56, 3.59 A)
 &rst
  ixpk= 967, nxpk= 25, iat= 348, 330, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   22 ALA  HN           21 PHE  HB+         4.50    (#    968:25  Unique         2.80, 3.35 A)
 &rst
  ixpk= 968, nxpk= 25, iat= 348,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 332, 333,
 &end
#
#   22 ALA  HN           21 PHE  HB-         4.50    (#    969:25  Unique         2.80, 3.35 A)
 &rst
  ixpk= 969, nxpk= 25, iat= 348,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 332, 333,
 &end
#
#   21 PHE  HN           21 PHE  HB+         4.50    (#    970:25  Unique         2.29, 2.98 A)
 &rst
  ixpk= 970, nxpk= 25, iat= 328,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 332, 333,
 &end
#
#   21 PHE  HN           21 PHE  HB-         3.50    (#    971:25  Unique         2.29, 2.98 A)
 &rst
  ixpk= 971, nxpk= 25, iat= 328,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 332, 333,
 &end
#
#   21 PHE  HD           21 PHE  HB+         3.50    (#    972:25  Unique         2.36, 3.12 A)
 &rst
  ixpk= 972, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 336, 344,
 igr2= 332, 333,
 &end
#
#    0 AMB  25-2:973      0 AMB  25-1:973    2.80    (#    973:25  Double Ambig)
 &rst
  ixpk= 973, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1666,1674,1074,1083,
 igr2=1662,1663,1070,1071,
 &end
#
#   21 PHE  HA           21 PHE  HB+         3.50    (#    974:25  Unique         2.48, 2.78 A)
 &rst
  ixpk= 974, nxpk= 25, iat= 330,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 332, 333,
 &end
#
#   21 PHE  HA           21 PHE  HB-         3.50    (#    975:25  Unique         2.48, 2.78 A)
 &rst
  ixpk= 975, nxpk= 25, iat= 330,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 332, 333,
 &end
#
#   18 ALA  HA           21 PHE  HB+         5.50    (#    976:25  Unique         2.71, 3.68 A)
 &rst
  ixpk= 976, nxpk= 25, iat= 298,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 332, 333,
 &end
#
#   18 ALA  HA           21 PHE  HB-         3.50    (#    977:25  Unique         2.71, 3.68 A)
 &rst
  ixpk= 977, nxpk= 25, iat= 298,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 332, 333,
 &end
#
#   22 ALA  MB           21 PHE  HB+         4.50    (#    978:25  Unique         4.33, 5.53 A)
 &rst
  ixpk= 978, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 352, 353, 354,
 igr2= 332, 333,
 &end
#
#  123 VAL  MGY          21 PHE  HB+         3.50    (#    979:25  Unique         2.27, 3.88 A)
 &rst
  ixpk= 979, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1863,1864,1865,1867,1868,1869,
 igr2= 332, 333,
 &end
#
#  123 VAL  MGY          21 PHE  HB-         3.50    (#    980:25  Unique         2.27, 3.88 A)
 &rst
  ixpk= 980, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1863,1864,1865,1867,1868,1869,
 igr2= 332, 333,
 &end
#
#    0 AMB  25-2:981     21 PHE  HB-         2.80    (#    981:25  Single Ambig)
 &rst
  ixpk= 981, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1=1863,1864,1865,1867,1868,1869, 403, 404, 405, 407,
       408, 409,
 igr2= 332, 333,
 &end
#
#   32 VAL  MGX          22 ALA  HA          4.50    (#    982:25  Unique         4.01, 5.39 A)
 &rst
  ixpk= 982, nxpk= 25, iat=  -1, 350, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 494, 495, 496, 498, 499, 500,
 &end
#
#  123 VAL  MGY          22 ALA  HA          4.50    (#    983:25  Unique         2.29, 3.86 A)
 &rst
  ixpk= 983, nxpk= 25, iat=  -1, 350, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1863,1864,1865,1867,1868,1869,
 &end
#
#   49 MET  HB+          46 ALA  HA          2.80    (#    984:25  Unique         2.09, 3.17 A)
 &rst
  ixpk= 984, nxpk= 25, iat=  -1, 690, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 731, 732,
 &end
#
#   50 MET  ME           46 ALA  HA          2.80    (#    985:25  Unique         2.10, 3.35 A)
 &rst
  ixpk= 985, nxpk= 25, iat=  -1, 690, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 755, 756, 757,
 &end
#
#   49 MET  HG+          46 ALA  HA          3.50    (#    986:25  Unique         3.16, 3.80 A)
 &rst
  ixpk= 986, nxpk= 25, iat=  -1, 690, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 734, 735,
 &end
#
#   50 MET  HG+          46 ALA  HA          4.50    (#    987:25  Unique         3.18, 4.49 A)
 &rst
  ixpk= 987, nxpk= 25, iat=  -1, 690, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 751, 752,
 &end
#
#    0 AMB  25-2:988      0 AMB  25-1:988    4.50    (#    988:25  Double Ambig)
 &rst
  ixpk= 988, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1662,1663, 332, 333,
 igr2= 690, 350,
 &end
#
#    0 AMB  25-2:989      0 AMB  25-1:989    4.50    (#    989:25  Double Ambig)
 &rst
  ixpk= 989, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 415, 416, 308,1660,
 igr2= 350, 690,
 &end
#
#    6 PHE  HZ           22 ALA  HA          5.50    (#    990:25  Unique         4.78, 4.95 A)
 &rst
  ixpk= 990, nxpk= 25, iat= 110, 350, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   46 ALA  HN           46 ALA  HA          3.50    (#    991:25  Unique         2.88, 2.91 A)
 &rst
  ixpk= 991, nxpk= 25, iat= 688, 690, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   26 GLY  HN           22 ALA  HA          3.50    (#    992:25  Unique         3.01, 3.19 A)
 &rst
  ixpk= 992, nxpk= 25, iat= 413, 350, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:993     22 ALA  HA          3.50    (#    993:25  Single Ambig)
 &rst
  ixpk= 993, nxpk= 25, iat=  -1, 350, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 394, 358,
 &end
#
#   22 ALA  HN           22 ALA  HA          3.50    (#    994:25  Unique         2.84, 2.87 A)
 &rst
  ixpk= 994, nxpk= 25, iat= 348, 350, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   23 LYS  HN           22 ALA  MB          3.50    (#    995:25  Unique         2.71, 3.59 A)
 &rst
  ixpk= 995, nxpk= 25, iat= 358,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 352, 353, 354,
 &end
#
#    0 AMB  25-2:996     22 ALA  MB          5.50    (#    996:25  Single Ambig)
 &rst
  ixpk= 996, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 413, 306, 321,
 igr2= 352, 353, 354,
 &end
#
#    6 PHE  HZ           22 ALA  MB          2.80    (#    997:25  Unique         2.64, 3.13 A)
 &rst
  ixpk= 997, nxpk= 25, iat= 110,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 352, 353, 354,
 &end
#
#    0 AMB  25-2:998     22 ALA  MB          4.50    (#    998:25  Single Ambig)
 &rst
  ixpk= 998, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 415, 416, 360,
 igr2= 352, 353, 354,
 &end
#
#   19 GLU  HA           22 ALA  MB          3.50    (#    999:25  Unique         2.20, 3.38 A)
 &rst
  ixpk= 999, nxpk= 25, iat= 308,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 352, 353, 354,
 &end
#
#   21 PHE  HB-          22 ALA  MB          5.50    (#   1000:25  Unique         4.33, 5.53 A)
 &rst
  ixpk= 1000, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 332, 333,
 igr2= 352, 353, 354,
 &end
#
#   21 PHE  HB+          22 ALA  MB          5.50    (#   1001:25  Unique         4.33, 5.53 A)
 &rst
  ixpk= 1001, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 332, 333,
 igr2= 352, 353, 354,
 &end
#
#  123 VAL  HB           22 ALA  MB          5.50    (#   1002:25  Unique         4.63, 5.78 A)
 &rst
  ixpk= 1002, nxpk= 25, iat=1861,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 352, 353, 354,
 &end
#
#    0 AMB  25-2:1003    22 ALA  MB          3.50    (#   1003:25  Single Ambig)
 &rst
  ixpk= 1003, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 492, 362, 363,
 igr2= 352, 353, 354,
 &end
#
#    0 AMB  25-2:1004    22 ALA  MB          4.50    (#   1004:25  Single Ambig)
 &rst
  ixpk= 1004, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 310, 311,1925,
 igr2= 352, 353, 354,
 &end
#
#   32 VAL  MGY          23 LYS  HA          2.80    (#   1006:25  Unique         2.17, 3.89 A)
 &rst
  ixpk= 1006, nxpk= 25, iat=  -1, 360, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 494, 495, 496, 498, 499, 500,
 &end
#
#   26 GLY  HA-          23 LYS  HA          5.50    (#   1008:25  Unique         3.81, 5.01 A)
 &rst
  ixpk= 1008, nxpk= 25, iat=  -1, 360, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 415, 416,
 &end
#
#  112 PHE  HD          109 LEU  HA          3.50    (#   1009:25  Unique         2.74, 4.27 A)
 &rst
  ixpk= 1009, nxpk= 25, iat=  -1,1610, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1666,1674,
 &end
#
#   24 THR  HN           23 LYS  HA          3.50    (#   1010:25  Unique         3.48, 3.51 A)
 &rst
  ixpk= 1010, nxpk= 25, iat= 380, 360, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   26 GLY  HN           23 LYS  HA          5.50    (#   1011:25  Unique         3.47, 3.78 A)
 &rst
  ixpk= 1011, nxpk= 25, iat= 413, 360, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   23 LYS  HN           23 LYS  HB+         3.50    (#   1012:25  Unique         2.37, 3.06 A)
 &rst
  ixpk= 1012, nxpk= 25, iat= 358,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 362, 363,
 &end
#
#   23 LYS  HN           23 LYS  HB-         2.80    (#   1013:25  Unique         2.37, 3.06 A)
 &rst
  ixpk= 1013, nxpk= 25, iat= 358,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 362, 363,
 &end
#
#   23 LYS  HA           23 LYS  HB-         2.80    (#   1014:25  Unique         2.31, 2.42 A)
 &rst
  ixpk= 1014, nxpk= 25, iat= 360,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 362, 363,
 &end
#
#   23 LYS  HG-          23 LYS  HB-         3.50    (#   1015:25  Unique         2.36, 2.77 A)
 &rst
  ixpk= 1015, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 365, 366,
 igr2= 362, 363,
 &end
#
#   23 LYS  HE+          23 LYS  HG+         3.50    (#   1017:25  Unique         2.40, 2.99 A)
 &rst
  ixpk= 1017, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 371, 372,
 igr2= 365, 366,
 &end
#
#    0 AMB  25-2:1018     0 AMB  25-1:1018   4.50    (#   1018:25  Double Ambig)
 &rst
  ixpk= 1018, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 382, 360, 384,
 igr2= 365, 366, 365, 366, 365, 366,
 &end
#
#   20 GLY  HA-          23 LYS  HG+         5.50    (#   1019:25  Unique         2.23, 3.96 A)
 &rst
  ixpk= 1019, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 323, 324,
 igr2= 365, 366,
 &end
#
#   24 THR  HN           23 LYS  HG+         5.50    (#   1020:25  Unique         2.42, 2.95 A)
 &rst
  ixpk= 1020, nxpk= 25, iat= 380,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 365, 366,
 &end
#
#   24 THR  HN           23 LYS  HG-         4.50    (#   1021:25  Unique         2.42, 2.95 A)
 &rst
  ixpk= 1021, nxpk= 25, iat= 380,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 365, 366,
 &end
#
#   23 LYS  HN           23 LYS  HG+         4.50    (#   1022:25  Unique         2.29, 3.08 A)
 &rst
  ixpk= 1022, nxpk= 25, iat= 358,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 365, 366,
 &end
#
#   23 LYS  HN           23 LYS  HG-         4.50    (#   1023:25  Unique         2.29, 3.08 A)
 &rst
  ixpk= 1023, nxpk= 25, iat= 358,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 365, 366,
 &end
#
#   25 LEU  HN           25 LEU  HA          2.80    (#   1024:25  Unique         2.84, 2.86 A)
 &rst
  ixpk= 1024, nxpk= 25, iat= 394, 396, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   26 GLY  HN           25 LEU  HA          3.50    (#   1025:25  Unique         3.51, 3.53 A)
 &rst
  ixpk= 1025, nxpk= 25, iat= 413, 396, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   27 ALA  HN           25 LEU  HA          5.50    (#   1026:25  Unique         3.55, 3.75 A)
 &rst
  ixpk= 1026, nxpk= 25, iat= 420, 396, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  127 ILE  QD1          25 LEU  HB+         2.80    (#   1027:25  Unique         2.27, 3.01 A)
 &rst
  ixpk= 1027, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1934,1935,1936,
 igr2= 398, 399,
 &end
#
#   24 THR  MG2          25 LEU  HB+         3.50    (#   1028:25  Unique         3.97, 5.37 A)
 &rst
  ixpk= 1028, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 386, 387, 388,
 igr2= 398, 399,
 &end
#
#   25 LEU  HG           25 LEU  HB+         2.80    (#   1029:25  Unique         2.43, 2.74 A)
 &rst
  ixpk= 1029, nxpk= 25, iat= 401,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 398, 399,
 &end
#
#   22 ALA  HA           25 LEU  HB+         4.50    (#   1030:25  Unique         2.70, 3.67 A)
 &rst
  ixpk= 1030, nxpk= 25, iat= 350,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 398, 399,
 &end
#
#   25 LEU  HA           25 LEU  HB+         2.80    (#   1031:25  Unique         2.55, 2.78 A)
 &rst
  ixpk= 1031, nxpk= 25, iat= 396,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 398, 399,
 &end
#
#   26 GLY  HN           25 LEU  HB+         3.50    (#   1032:25  Unique         2.55, 3.15 A)
 &rst
  ixpk= 1032, nxpk= 25, iat= 413,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 398, 399,
 &end
#
#   25 LEU  HN           25 LEU  HB+         2.80    (#   1033:25  Unique         2.22, 2.90 A)
 &rst
  ixpk= 1033, nxpk= 25, iat= 394,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 398, 399,
 &end
#
#   43 HIS  HD2          44 PRO  HG+         5.50    (#   1034:25  Unique         4.96, 6.29 A)
 &rst
  ixpk= 1034, nxpk= 25, iat= 656,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 664, 665,
 &end
#
#    0 AMB  25-2:1035    25 LEU  HG          2.80    (#   1035:25  Single Ambig)
 &rst
  ixpk= 1035, nxpk= 25, iat=  -1, 401, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 396, 330,
 &end
#
#   44 PRO  HD+          44 PRO  HG+         2.80    (#   1036:25  Unique         2.34, 2.64 A)
 &rst
  ixpk= 1036, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 661, 662,
 igr2= 664, 665,
 &end
#
#   44 PRO  HD+          44 PRO  HG+         2.80    (#   1037:25  Unique         2.34, 2.64 A)
 &rst
  ixpk= 1037, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 661, 662,
 igr2= 664, 665,
 &end
#
#   44 PRO  HD-          44 PRO  HG+         2.80    (#   1038:25  Unique         2.34, 2.64 A)
 &rst
  ixpk= 1038, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 661, 662,
 igr2= 664, 665,
 &end
#
#    0 AMB  25-2:1039    25 LEU  HG          3.50    (#   1039:25  Single Ambig)
 &rst
  ixpk= 1039, nxpk= 25, iat=  -1, 401, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1809,1810, 332, 333,
 &end
#
#   24 THR  MG2          25 LEU  HG          5.50    (#   1040:25  Unique         2.15, 3.26 A)
 &rst
  ixpk= 1040, nxpk= 25, iat=  -1, 401, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 386, 387, 388,
 &end
#
#   62 SER  HN           37 LEU  MDY         3.50    (#   1041:25  Unique         1.75, 4.40 A)
 &rst
  ixpk= 1041, nxpk= 25, iat= 913,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 556, 557, 558, 560, 561, 562,
 &end
#
#   21 PHE  HD           25 LEU  MDX         4.50    (#   1042:25  Unique         4.87, 6.84 A)
 &rst
  ixpk= 1042, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 336, 344,
 igr2= 403, 404, 405, 407, 408, 409,
 &end
#
#   25 LEU  HA           25 LEU  MDX         4.50    (#   1044:25  Unique         2.06, 3.79 A)
 &rst
  ixpk= 1044, nxpk= 25, iat= 396,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 403, 404, 405, 407, 408, 409,
 &end
#
#   12 SER  HB+          37 LEU  MDY         3.50    (#   1046:25  Unique         2.12, 5.44 A)
 &rst
  ixpk= 1046, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 209, 210,
 igr2= 556, 557, 558, 560, 561, 562,
 &end
#
#   21 PHE  HB-          25 LEU  MDX         3.50    (#   1049:25  Unique         2.71, 5.60 A)
 &rst
  ixpk= 1049, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 332, 333,
 igr2= 403, 404, 405, 407, 408, 409,
 &end
#
#  112 PHE  HB+         109 LEU  MDX         4.50    (#   1050:25  Unique         3.64, 5.94 A)
 &rst
  ixpk= 1050, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1662,1663,
 igr2=1617,1618,1619,1621,1622,1623,
 &end
#
#    0 AMB  25-2:1051    37 LEU  MDY         5.50    (#   1051:25  Single Ambig)
 &rst
  ixpk= 1051, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1= 917, 918, 585, 586,
 igr2= 556, 557, 558, 560, 561, 562,
 &end
#
#   52 GLU  HG+         109 LEU  MDX         4.50    (#   1052:25  Unique         5.31, 7.42 A)
 &rst
  ixpk= 1052, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 783, 784,
 igr2=1617,1618,1619,1621,1622,1623,
 &end
#
#  124 GLU  HG+          25 LEU  MDX         3.50    (#   1053:25  Unique         3.02, 5.35 A)
 &rst
  ixpk= 1053, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1880,1881,
 igr2= 403, 404, 405, 407, 408, 409,
 &end
#
#   21 PHE  HN           25 LEU  MDX         5.50    (#   1054:25  Unique         5.88, 7.91 A)
 &rst
  ixpk= 1054, nxpk= 25, iat= 328,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 403, 404, 405, 407, 408, 409,
 &end
#
#    6 PHE  HZ          126 LEU  MDX         4.50    (#   1056:25  Unique         2.28, 3.74 A)
 &rst
  ixpk= 1056, nxpk= 25, iat= 110,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1911,1912,1913,1915,1916,1917,
 &end
#
#   30 ILE  HG1-         26 GLY  HA+         3.50    (#   1057:25  Unique         2.11, 3.16 A)
 &rst
  ixpk= 1057, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 469, 470,
 igr2= 415, 416,
 &end
#
#    0 AMB  25-2:1058    26 GLY  HA-         2.80    (#   1058:25  Single Ambig)
 &rst
  ixpk= 1058, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 469, 470,1931,1932,
 igr2= 415, 416,
 &end
#
#   29 LYS  HB-          26 GLY  HA+         3.50    (#   1060:25  Unique         2.66, 3.91 A)
 &rst
  ixpk= 1060, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 441, 442,
 igr2= 415, 416,
 &end
#
#   30 ILE  HG1+         26 GLY  HA-         3.50    (#   1061:25  Unique         2.11, 3.16 A)
 &rst
  ixpk= 1061, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 469, 470,
 igr2= 415, 416,
 &end
#
#   29 LYS  HB-          26 GLY  HA-         3.50    (#   1062:25  Unique         2.66, 3.91 A)
 &rst
  ixpk= 1062, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 441, 442,
 igr2= 415, 416,
 &end
#
#   29 LYS  HB+          26 GLY  HA-         3.50    (#   1063:25  Unique         2.66, 3.91 A)
 &rst
  ixpk= 1063, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 441, 442,
 igr2= 415, 416,
 &end
#
#   29 LYS  HB+          26 GLY  HA+         3.50    (#   1064:25  Unique         2.66, 3.91 A)
 &rst
  ixpk= 1064, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 441, 442,
 igr2= 415, 416,
 &end
#
#   27 ALA  HN           26 GLY  HA+         3.50    (#   1065:25  Unique         3.10, 3.30 A)
 &rst
  ixpk= 1065, nxpk= 25, iat= 420,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 415, 416,
 &end
#
#   27 ALA  HN           26 GLY  HA-         4.50    (#   1066:25  Unique         3.10, 3.30 A)
 &rst
  ixpk= 1066, nxpk= 25, iat= 420,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 415, 416,
 &end
#
#   30 ILE  HN           26 GLY  HA+         4.50    (#   1067:25  Unique         3.57, 3.98 A)
 &rst
  ixpk= 1067, nxpk= 25, iat= 459,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 415, 416,
 &end
#
#   30 ILE  HN           26 GLY  HA-         4.50    (#   1068:25  Unique         3.57, 3.98 A)
 &rst
  ixpk= 1068, nxpk= 25, iat= 459,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 415, 416,
 &end
#
#   29 LYS  HN           26 GLY  HA+         5.50    (#   1069:25  Unique         4.16, 4.39 A)
 &rst
  ixpk= 1069, nxpk= 25, iat= 437,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 415, 416,
 &end
#
#   28 GLY  HN           27 ALA  HA          3.50    (#   1070:25  Unique         2.13, 2.15 A)
 &rst
  ixpk= 1070, nxpk= 25, iat= 430, 422, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   29 LYS  HN           27 ALA  HA          3.50    (#   1071:25  Unique         3.53, 3.56 A)
 &rst
  ixpk= 1071, nxpk= 25, iat= 437, 422, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   28 GLY  HN           28 GLY  HA-         4.50    (#   1074:25  Unique         2.30, 2.60 A)
 &rst
  ixpk= 1074, nxpk= 25, iat= 430,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 432, 433,
 &end
#
#   29 LYS  HN           28 GLY  HA-         4.50    (#   1075:25  Unique         3.19, 3.32 A)
 &rst
  ixpk= 1075, nxpk= 25, iat= 437,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 432, 433,
 &end
#
#    0 AMB  25-2:1076     0 AMB  25-1:1076   3.50    (#   1076:25  Double Ambig)
 &rst
  ixpk= 1076, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1580, 437,
 igr2=1575,1576, 432, 433,
 &end
#
#   29 LYS  HG+          28 GLY  HA+         4.50    (#   1080:25  Unique         3.70, 5.20 A)
 &rst
  ixpk= 1080, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 444, 445,
 igr2= 432, 433,
 &end
#
#   27 ALA  MB           28 GLY  HA+         5.50    (#   1081:25  Unique         4.36, 5.33 A)
 &rst
  ixpk= 1081, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 424, 425, 426,
 igr2= 432, 433,
 &end
#
#   30 ILE  QG2          29 LYS  HA          4.50    (#   1082:25  Unique         4.35, 5.26 A)
 &rst
  ixpk= 1082, nxpk= 25, iat=  -1, 439, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 465, 466, 467,
 &end
#
#    1 MET  HG+          29 LYS  HA          3.50    (#   1083:25  Unique         2.93, 3.96 A)
 &rst
  ixpk= 1083, nxpk= 25, iat=  -1, 439, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=  11,  12,
 &end
#
#   30 ILE  HN           29 LYS  HA          4.50    (#   1084:25  Unique         3.55, 3.57 A)
 &rst
  ixpk= 1084, nxpk= 25, iat= 459, 439, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   29 LYS  HN           29 LYS  HA          3.50    (#   1085:25  Unique         2.95, 2.95 A)
 &rst
  ixpk= 1085, nxpk= 25, iat= 437, 439, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    5 MET  HN           75 VAL  HB          4.50    (#   1086:25  Unique         4.06, 4.23 A)
 &rst
  ixpk= 1086, nxpk= 25, iat=  81,1103, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   29 LYS  HN           29 LYS  HB+         2.80    (#   1087:25  Unique         2.36, 3.03 A)
 &rst
  ixpk= 1087, nxpk= 25, iat= 437,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 441, 442,
 &end
#
#   29 LYS  HN           29 LYS  HB-         3.50    (#   1088:25  Unique         2.36, 3.03 A)
 &rst
  ixpk= 1088, nxpk= 25, iat= 437,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 441, 442,
 &end
#
#   75 VAL  HN           75 VAL  HB          3.50    (#   1089:25  Unique         2.55, 2.62 A)
 &rst
  ixpk= 1089, nxpk= 25, iat=1099,1103, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   30 ILE  HN           29 LYS  HB+         4.50    (#   1090:25  Unique         2.43, 3.13 A)
 &rst
  ixpk= 1090, nxpk= 25, iat= 459,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 441, 442,
 &end
#
#   30 ILE  HN           29 LYS  HB-         3.50    (#   1091:25  Unique         2.43, 3.13 A)
 &rst
  ixpk= 1091, nxpk= 25, iat= 459,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 441, 442,
 &end
#
#   29 LYS  HA           29 LYS  HB-         3.50    (#   1092:25  Unique         2.48, 2.76 A)
 &rst
  ixpk= 1092, nxpk= 25, iat= 439,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 441, 442,
 &end
#
#   26 GLY  HA+          29 LYS  HB+         3.50    (#   1093:25  Unique         2.66, 3.91 A)
 &rst
  ixpk= 1093, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 415, 416,
 igr2= 441, 442,
 &end
#
#   28 GLY  HA+          29 LYS  HB-         4.50    (#   1094:25  Unique         5.26, 5.87 A)
 &rst
  ixpk= 1094, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 432, 433,
 igr2= 441, 442,
 &end
#
#   26 GLY  HA-          29 LYS  HB-         5.50    (#   1097:25  Unique         2.66, 3.91 A)
 &rst
  ixpk= 1097, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 415, 416,
 igr2= 441, 442,
 &end
#
#    2 LYS  HE+          29 LYS  HB+         4.50    (#   1098:25  Unique         3.54, 4.90 A)
 &rst
  ixpk= 1098, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=  34,  35,
 igr2= 441, 442,
 &end
#
#    2 LYS  HE+          29 LYS  HB-         5.50    (#   1099:25  Unique         3.54, 4.90 A)
 &rst
  ixpk= 1099, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=  34,  35,
 igr2= 441, 442,
 &end
#
#    4 VAL  MGX          75 VAL  HB          3.50    (#   1100:25  Unique         2.15, 3.60 A)
 &rst
  ixpk= 1100, nxpk= 25, iat=  -1,1103, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=  71,  72,  73,  75,  76,  77,
 &end
#
#   77 ILE  QD1          97 GLU  HB-         3.50    (#   1101:25  Unique         2.19, 3.02 A)
 &rst
  ixpk= 1101, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1144,1145,1146,
 igr2=1437,1438,
 &end
#
#   29 LYS  HA           29 LYS  HG+         2.80    (#   1102:25  Unique         2.92, 3.36 A)
 &rst
  ixpk= 1102, nxpk= 25, iat= 439,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 444, 445,
 &end
#
#   29 LYS  HA           29 LYS  HD-         4.50    (#   1103:25  Unique         2.14, 2.64 A)
 &rst
  ixpk= 1103, nxpk= 25, iat= 439,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 447, 448,
 &end
#
#  126 LEU  HA          129 LYS  HD+         3.50    (#   1104:25  Unique         2.28, 3.19 A)
 &rst
  ixpk= 1104, nxpk= 25, iat=1904,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1960,1961,
 &end
#
#    0 AMB  25-2:1105    30 ILE  HA          4.50    (#   1105:25  Single Ambig)
 &rst
  ixpk= 1105, nxpk= 25, iat=  -1, 461, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1=  71,  72,  73,  75,  76,  77,1985,1986,1987,
 &end
#
#   30 ILE  HG1-         30 ILE  HA          5.50    (#   1106:25  Unique         3.67, 3.88 A)
 &rst
  ixpk= 1106, nxpk= 25, iat=  -1, 461, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 469, 470,
 &end
#
#   31 ALA  MB           30 ILE  HA          4.50    (#   1107:25  Unique         4.36, 4.95 A)
 &rst
  ixpk= 1107, nxpk= 25, iat=  -1, 461, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 482, 483, 484,
 &end
#
#   29 LYS  HB+          30 ILE  HA          4.50    (#   1108:25  Unique         4.77, 4.85 A)
 &rst
  ixpk= 1108, nxpk= 25, iat=  -1, 461, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 441, 442,
 &end
#
#    1 MET  HG-          30 ILE  HA          3.50    (#   1109:25  Unique         2.46, 3.61 A)
 &rst
  ixpk= 1109, nxpk= 25, iat=  -1, 461, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=  11,  12,
 &end
#
#   30 ILE  HN           30 ILE  HA          4.50    (#   1110:25  Unique         2.94, 2.95 A)
 &rst
  ixpk= 1110, nxpk= 25, iat= 459, 461, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    2 LYS  HN           30 ILE  HA          4.50    (#   1111:25  Unique         2.74, 3.11 A)
 &rst
  ixpk= 1111, nxpk= 25, iat=  21, 461, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   30 ILE  HN           30 ILE  HB          4.50    (#   1112:25  Unique         3.77, 3.83 A)
 &rst
  ixpk= 1112, nxpk= 25, iat= 459, 463, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   30 ILE  HG1-         30 ILE  HB          3.50    (#   1113:25  Unique         2.49, 2.83 A)
 &rst
  ixpk= 1113, nxpk= 25, iat=  -1, 463, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 469, 470,
 &end
#
#    0 AMB  25-2:1114    30 ILE  HB          2.80    (#   1114:25  Single Ambig)
 &rst
  ixpk= 1114, nxpk= 25, iat=  -1, 463, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1=  71,  72,  73,  75,  76,  77,1985,1986,1987,
 &end
#
#   30 ILE  QG2          30 ILE  HB          2.80    (#   1115:25  Unique         2.29, 2.65 A)
 &rst
  ixpk= 1115, nxpk= 25, iat=  -1, 463, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 465, 466, 467,
 &end
#
#   30 ILE  QD1          30 ILE  HG1-        2.80    (#   1116:25  Unique         2.34, 2.66 A)
 &rst
  ixpk= 1116, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 472, 473, 474,
 igr2= 469, 470,
 &end
#
#  127 ILE  QD1           0 AMB  25-1:1117   4.50    (#   1117:25  Single Ambig)
 &rst
  ixpk= 1117, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1934,1935,1936,
 igr2= 469, 470,1982,1983,
 &end
#
#    0 AMB  25-2:1118    30 ILE  HG1-        3.50    (#   1118:25  Single Ambig)
 &rst
  ixpk= 1118, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 463, 441, 442,
 igr2= 469, 470,
 &end
#
#   26 GLY  HA-          30 ILE  HG1-        3.50    (#   1119:25  Unique         2.11, 3.16 A)
 &rst
  ixpk= 1119, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 415, 416,
 igr2= 469, 470,
 &end
#
#  130 ILE  HA          130 ILE  HG1-        4.50    (#   1121:25  Unique         3.49, 3.70 A)
 &rst
  ixpk= 1121, nxpk= 25, iat=1974,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1982,1983,
 &end
#
#   30 ILE  HN           30 ILE  HG1-        3.50    (#   1123:25  Unique         2.43, 2.85 A)
 &rst
  ixpk= 1123, nxpk= 25, iat= 459,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 469, 470,
 &end
#
#    4 VAL  HN            0 AMB  25-1:1124   4.50    (#   1124:25  Single Ambig)
 &rst
  ixpk= 1124, nxpk= 25, iat=  65,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2=  50,  51, 469, 470,
 &end
#
#    0 AMB  25-2:1125    30 ILE  QD1         4.50    (#   1125:25  Single Ambig)
 &rst
  ixpk= 1125, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 358, 394,
 igr2= 472, 473, 474,
 &end
#
#   26 GLY  HN           30 ILE  QD1         4.50    (#   1126:25  Unique         3.62, 4.79 A)
 &rst
  ixpk= 1126, nxpk= 25, iat= 413,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 472, 473, 474,
 &end
#
#   30 ILE  HN           30 ILE  QD1         5.50    (#   1127:25  Unique         3.12, 4.60 A)
 &rst
  ixpk= 1127, nxpk= 25, iat= 459,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 472, 473, 474,
 &end
#
#   30 ILE  HA           30 ILE  QD1         4.50    (#   1128:25  Unique         4.22, 4.97 A)
 &rst
  ixpk= 1128, nxpk= 25, iat= 461,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 472, 473, 474,
 &end
#
#   58 SER  HA           47 ILE  QD1         3.50    (#   1129:25  Unique         2.09, 3.41 A)
 &rst
  ixpk= 1129, nxpk= 25, iat= 866,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 711, 712, 713,
 &end
#
#    0 AMB  25-2:1130    47 ILE  QD1         2.80    (#   1130:25  Single Ambig)
 &rst
  ixpk= 1130, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 868, 869, 661, 662,
 igr2= 711, 712, 713,
 &end
#
#   47 ILE  HA           47 ILE  QD1         3.50    (#   1131:25  Unique         2.67, 3.59 A)
 &rst
  ixpk= 1131, nxpk= 25, iat= 700,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 711, 712, 713,
 &end
#
#    0 AMB  25-2:1132    47 ILE  QD1         4.50    (#   1132:25  Single Ambig)
 &rst
  ixpk= 1132, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 667, 668, 886, 887,
 igr2= 711, 712, 713,
 &end
#
#   30 ILE  HG1-         30 ILE  QG2         2.80    (#   1133:25  Unique         2.33, 3.31 A)
 &rst
  ixpk= 1133, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 469, 470,
 igr2= 465, 466, 467,
 &end
#
#   25 LEU  HG           24 THR  MG2         2.80    (#   1134:25  Unique         2.15, 3.26 A)
 &rst
  ixpk= 1134, nxpk= 25, iat= 401,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 386, 387, 388,
 &end
#
#    3 LYS  HA           31 ALA  MB          2.80    (#   1135:25  Unique         2.18, 3.30 A)
 &rst
  ixpk= 1135, nxpk= 25, iat=  45,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 482, 483, 484,
 &end
#
#    4 VAL  HN           32 VAL  HA          3.50    (#   1136:25  Unique         2.48, 2.82 A)
 &rst
  ixpk= 1136, nxpk= 25, iat=  65, 490, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:1137    32 VAL  HA          4.50    (#   1137:25  Single Ambig)
 &rst
  ixpk= 1137, nxpk= 25, iat=  -1, 490, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=  83, 480,  67,
 &end
#
#   32 VAL  HB           32 VAL  HA          3.50    (#   1138:25  Unique         2.38, 2.98 A)
 &rst
  ixpk= 1138, nxpk= 25, iat= 492, 490, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    4 VAL  HB           32 VAL  HA          3.50    (#   1139:25  Unique         2.26, 2.56 A)
 &rst
  ixpk= 1139, nxpk= 25, iat=  69, 490, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   31 ALA  MB           32 VAL  HA          5.50    (#   1140:25  Unique         4.61, 5.22 A)
 &rst
  ixpk= 1140, nxpk= 25, iat=  -1, 490, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 482, 483, 484,
 &end
#
#   32 VAL  MGY          32 VAL  HA          3.50    (#   1141:25  Unique         2.33, 3.22 A)
 &rst
  ixpk= 1141, nxpk= 25, iat=  -1, 490, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 494, 495, 496, 498, 499, 500,
 &end
#
#    4 VAL  MGY          32 VAL  HA          4.50    (#   1142:25  Unique         3.39, 4.80 A)
 &rst
  ixpk= 1142, nxpk= 25, iat=  -1, 490, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=  71,  72,  73,  75,  76,  77,
 &end
#
#    4 VAL  MGX          32 VAL  HA          4.50    (#   1143:25  Unique         3.39, 4.80 A)
 &rst
  ixpk= 1143, nxpk= 25, iat=  -1, 490, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=  71,  72,  73,  75,  76,  77,
 &end
#
#    0 AMB  25-2:1144    32 VAL  HB          4.50    (#   1144:25  Single Ambig)
 &rst
  ixpk= 1144, nxpk= 25, iat=  -1, 492, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 308, 415, 416,
 &end
#
#   32 VAL  HA           32 VAL  HB          3.50    (#   1145:25  Unique         2.38, 2.98 A)
 &rst
  ixpk= 1145, nxpk= 25, iat= 490, 492, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:1146    32 VAL  HB          4.50    (#   1146:25  Single Ambig)
 &rst
  ixpk= 1146, nxpk= 25, iat=  -1, 492, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 480,  67,
 &end
#
#    6 PHE  HE           32 VAL  HB          4.50    (#   1147:25  Unique         4.54, 6.55 A)
 &rst
  ixpk= 1147, nxpk= 25, iat=  -1, 492, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 108, 112,
 &end
#
#   33 THR  HN           32 VAL  MGX         3.50    (#   1148:25  Unique         2.32, 4.38 A)
 &rst
  ixpk= 1148, nxpk= 25, iat= 504,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 494, 495, 496, 498, 499, 500,
 &end
#
#    6 PHE  HE           32 VAL  MGX         3.50    (#   1149:25  Unique         2.04, 5.50 A)
 &rst
  ixpk= 1149, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 108, 112,
 igr2= 494, 495, 496, 498, 499, 500,
 &end
#
#    6 PHE  HD           32 VAL  MGX         4.50    (#   1150:25  Unique         2.40, 6.55 A)
 &rst
  ixpk= 1150, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 106, 114,
 igr2= 494, 495, 496, 498, 499, 500,
 &end
#
#   32 VAL  HA           32 VAL  MGX         3.50    (#   1151:25  Unique         2.33, 3.22 A)
 &rst
  ixpk= 1151, nxpk= 25, iat= 490,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 494, 495, 496, 498, 499, 500,
 &end
#
#   22 ALA  HA           32 VAL  MGX         4.50    (#   1152:25  Unique         4.01, 5.39 A)
 &rst
  ixpk= 1152, nxpk= 25, iat= 350,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 494, 495, 496, 498, 499, 500,
 &end
#
#    4 VAL  MGX          32 VAL  MGX         4.50    (#   1153:25  Unique         3.12, 5.83 A)
 &rst
  ixpk= 1153, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1=  71,  72,  73,  75,  76,  77,
 igr2= 494, 495, 496, 498, 499, 500,
 &end
#
#   21 PHE  HB-         123 VAL  MGX         3.50    (#   1155:25  Unique         2.27, 3.88 A)
 &rst
  ixpk= 1155, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 332, 333,
 igr2=1863,1864,1865,1867,1868,1869,
 &end
#
#   22 ALA  HA          123 VAL  MGX         2.80    (#   1156:25  Unique         2.29, 3.86 A)
 &rst
  ixpk= 1156, nxpk= 25, iat= 350,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1863,1864,1865,1867,1868,1869,
 &end
#
#  127 ILE  HA          123 VAL  MGX         5.50    (#   1157:25  Unique         5.97, 7.71 A)
 &rst
  ixpk= 1157, nxpk= 25, iat=1923,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1863,1864,1865,1867,1868,1869,
 &end
#
#   23 LYS  HA           32 VAL  MGY         3.50    (#   1158:25  Unique         2.17, 3.89 A)
 &rst
  ixpk= 1158, nxpk= 25, iat= 360,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 494, 495, 496, 498, 499, 500,
 &end
#
#   21 PHE  HA          123 VAL  MGX         4.50    (#   1159:25  Unique         4.16, 5.76 A)
 &rst
  ixpk= 1159, nxpk= 25, iat= 330,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1863,1864,1865,1867,1868,1869,
 &end
#
#    0 AMB  25-2:1160    32 VAL  MGY         5.50    (#   1160:25  Single Ambig)
 &rst
  ixpk= 1160, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=  83,  67,
 igr2= 494, 495, 496, 498, 499, 500,
 &end
#
#   32 VAL  HA           32 VAL  MGY         3.50    (#   1161:25  Unique         2.33, 3.22 A)
 &rst
  ixpk= 1161, nxpk= 25, iat= 490,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 494, 495, 496, 498, 499, 500,
 &end
#
#    6 PHE  HE            0 AMB  25-1:1162   3.50    (#   1162:25  Single Ambig)
 &rst
  ixpk= 1162, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 108, 112,
 igr2= 494, 495, 496, 498, 499, 500,1863,1864,1865,1867,
      1868,1869,
 &end
#
#    0 AMB  25-2:1163     0 AMB  25-1:1163   4.50    (#   1163:25  Double Ambig)
 &rst
  ixpk= 1163, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 394,  81,
 igr2=1863,1864,1865,1867,1868,1869, 494, 495, 496, 498,
       499, 500,
 &end
#
#   22 ALA  HN            0 AMB  25-1:1164   4.50    (#   1164:25  Single Ambig)
 &rst
  ixpk= 1164, nxpk= 25, iat= 348,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr2=1863,1864,1865,1867,1868,1869, 494, 495, 496, 498,
       499, 500,
 &end
#
#   33 THR  HN           33 THR  HA          3.50    (#   1165:25  Unique         2.94, 2.96 A)
 &rst
  ixpk= 1165, nxpk= 25, iat= 504, 506, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   93 GLN  HN           92 THR  HA          3.50    (#   1166:25  Unique         2.49, 3.26 A)
 &rst
  ixpk= 1166, nxpk= 25, iat=1362,1350, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   92 THR  HN           92 THR  HA          3.50    (#   1167:25  Unique         2.78, 2.88 A)
 &rst
  ixpk= 1167, nxpk= 25, iat=1348,1350, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:1168    33 THR  HA          2.80    (#   1168:25  Single Ambig)
 &rst
  ixpk= 1168, nxpk= 25, iat=  -1, 506, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 508, 522, 523,
 &end
#
#    5 MET  ME           33 THR  HB          3.50    (#   1170:25  Unique         2.41, 3.27 A)
 &rst
  ixpk= 1170, nxpk= 25, iat=  -1, 508, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=  92,  93,  94,
 &end
#
#   33 THR  HA           33 THR  HB          3.50    (#   1172:25  Unique         2.93, 2.96 A)
 &rst
  ixpk= 1172, nxpk= 25, iat= 506, 508, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    5 MET  HA           33 THR  HB          4.50    (#   1174:25  Unique         2.58, 2.88 A)
 &rst
  ixpk= 1174, nxpk= 25, iat=  83, 508, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   73 TYR  HD           33 THR  HB          4.50    (#   1175:25  Unique         4.17, 5.79 A)
 &rst
  ixpk= 1175, nxpk= 25, iat=  -1, 508, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1074,1083,
 &end
#
#   33 THR  HN           33 THR  HB          3.50    (#   1176:25  Unique         2.77, 3.01 A)
 &rst
  ixpk= 1176, nxpk= 25, iat= 504, 508, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   34 SER  HN           33 THR  HB          3.50    (#   1177:25  Unique         3.45, 3.52 A)
 &rst
  ixpk= 1177, nxpk= 25, iat= 518, 508, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:1179     0 AMB  25-1:1179   3.50    (#   1179:25  Double Ambig)
 &rst
  ixpk= 1179, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1592,1593,1076,1081,
 igr2=1648,1649,1650,1652,1653,1654, 510, 511, 512,
 &end
#
#   21 PHE  HB+         123 VAL  MGX         3.50    (#   1180:25  Unique         2.27, 3.88 A)
 &rst
  ixpk= 1180, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 332, 333,
 igr2=1863,1864,1865,1867,1868,1869,
 &end
#
#   16 GLN  HB-          34 SER  HA          5.50    (#   1182:25  Unique         5.50, 6.38 A)
 &rst
  ixpk= 1182, nxpk= 25, iat=  -1, 520, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 266, 267,
 &end
#
#    6 PHE  HB-          34 SER  HA          3.50    (#   1183:25  Unique         2.53, 3.51 A)
 &rst
  ixpk= 1183, nxpk= 25, iat=  -1, 520, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 102, 103,
 &end
#
#   34 SER  HB-          34 SER  HA          3.50    (#   1184:25  Unique         2.28, 2.52 A)
 &rst
  ixpk= 1184, nxpk= 25, iat=  -1, 520, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 522, 523,
 &end
#
#   34 SER  HB+          34 SER  HA          2.80    (#   1185:25  Unique         2.28, 2.52 A)
 &rst
  ixpk= 1185, nxpk= 25, iat=  -1, 520, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 522, 523,
 &end
#
#    5 MET  HA           34 SER  HA          4.50    (#   1187:25  Unique         3.63, 3.93 A)
 &rst
  ixpk= 1187, nxpk= 25, iat=  83, 520, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    6 PHE  HN           34 SER  HA          3.50    (#   1189:25  Unique         1.98, 2.35 A)
 &rst
  ixpk= 1189, nxpk= 25, iat=  98, 520, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   34 SER  HN           34 SER  HA          3.50    (#   1190:25  Unique         2.91, 2.95 A)
 &rst
  ixpk= 1190, nxpk= 25, iat= 518, 520, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   35 CYS  HN           34 SER  HA          2.80    (#   1191:25  Unique         2.15, 2.33 A)
 &rst
  ixpk= 1191, nxpk= 25, iat= 529, 520, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   34 SER  HA           34 SER  HB+         4.50    (#   1192:25  Unique         2.28, 2.52 A)
 &rst
  ixpk= 1192, nxpk= 25, iat= 520,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 522, 523,
 &end
#
#   34 SER  HA           34 SER  HB-         4.50    (#   1193:25  Unique         2.28, 2.52 A)
 &rst
  ixpk= 1193, nxpk= 25, iat= 520,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 522, 523,
 &end
#
#    0 AMB  25-2:1195     0 AMB  25-1:1195   5.50    (#   1195:25  Double Ambig)
 &rst
  ixpk= 1195, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.07, r4= 8.82,
 igr1= 522, 523, 253, 522, 523,
 igr2= 531, 100,
 &end
#
#   35 CYS  HA           35 CYS  HB+         3.50    (#   1196:25  Unique         2.41, 2.55 A)
 &rst
  ixpk= 1196, nxpk= 25, iat= 531,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 533, 534,
 &end
#
#   35 CYS  HA           35 CYS  HB-         3.50    (#   1197:25  Unique         2.41, 2.55 A)
 &rst
  ixpk= 1197, nxpk= 25, iat= 531,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 533, 534,
 &end
#
#   60 GLN  HE2-         16 GLN  HA          4.50    (#   1201:25  Unique         2.38, 3.32 A)
 &rst
  ixpk= 1201, nxpk= 25, iat=  -1, 264, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 894, 895,
 &end
#
#   37 LEU  HN           37 LEU  HA          3.50    (#   1202:25  Unique         2.23, 2.71 A)
 &rst
  ixpk= 1202, nxpk= 25, iat= 547, 549, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   38 GLU  HN           37 LEU  HA          4.50    (#   1204:25  Unique         2.06, 2.25 A)
 &rst
  ixpk= 1204, nxpk= 25, iat= 566, 549, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   60 GLN  HE2+         16 GLN  HA          3.50    (#   1205:25  Unique         2.38, 3.32 A)
 &rst
  ixpk= 1205, nxpk= 25, iat=  -1, 264, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 894, 895,
 &end
#
#   38 GLU  HN           37 LEU  HB+         4.50    (#   1206:25  Unique         2.41, 3.99 A)
 &rst
  ixpk= 1206, nxpk= 25, iat= 566,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 551, 552,
 &end
#
#   38 GLU  HN           37 LEU  HB-         4.50    (#   1207:25  Unique         2.41, 3.99 A)
 &rst
  ixpk= 1207, nxpk= 25, iat= 566,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 551, 552,
 &end
#
#   37 LEU  HN           37 LEU  HB+         3.50    (#   1208:25  Unique         2.28, 3.23 A)
 &rst
  ixpk= 1208, nxpk= 25, iat= 547,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 551, 552,
 &end
#
#   37 LEU  HN           37 LEU  HB-         4.50    (#   1209:25  Unique         2.28, 3.23 A)
 &rst
  ixpk= 1209, nxpk= 25, iat= 547,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 551, 552,
 &end
#
#   37 LEU  HA           37 LEU  HB+         3.50    (#   1210:25  Unique         2.07, 2.57 A)
 &rst
  ixpk= 1210, nxpk= 25, iat= 549,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 551, 552,
 &end
#
#   37 LEU  HA           37 LEU  HB-         3.50    (#   1211:25  Unique         2.07, 2.57 A)
 &rst
  ixpk= 1211, nxpk= 25, iat= 549,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 551, 552,
 &end
#
#   37 LEU  MDX          37 LEU  HB+         3.50    (#   1212:25  Unique         2.30, 3.31 A)
 &rst
  ixpk= 1212, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 556, 557, 558, 560, 561, 562,
 igr2= 551, 552,
 &end
#
#   37 LEU  MDY          37 LEU  HB+         2.80    (#   1213:25  Unique         2.30, 3.31 A)
 &rst
  ixpk= 1213, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 556, 557, 558, 560, 561, 562,
 igr2= 551, 552,
 &end
#
#   37 LEU  MDX          37 LEU  HB-         2.80    (#   1214:25  Unique         2.30, 3.31 A)
 &rst
  ixpk= 1214, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 556, 557, 558, 560, 561, 562,
 igr2= 551, 552,
 &end
#
#   37 LEU  MDY          37 LEU  HB-         2.80    (#   1215:25  Unique         2.30, 3.31 A)
 &rst
  ixpk= 1215, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 556, 557, 558, 560, 561, 562,
 igr2= 551, 552,
 &end
#
#   62 SER  HN           37 LEU  MDX         3.50    (#   1218:25  Unique         1.75, 4.40 A)
 &rst
  ixpk= 1218, nxpk= 25, iat= 913,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 556, 557, 558, 560, 561, 562,
 &end
#
#   39 SER  HN           37 LEU  MDX         5.50    (#   1220:25  Unique         2.19, 5.47 A)
 &rst
  ixpk= 1220, nxpk= 25, iat= 581,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 556, 557, 558, 560, 561, 562,
 &end
#
#    0 AMB  25-2:1223     0 AMB  25-1:1223   3.50    (#   1223:25  Double Ambig)
 &rst
  ixpk= 1223, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
 igr1= 274, 275, 274, 275,
 igr2= 633, 634, 635, 637, 638, 639, 556, 557, 558, 560,
       561, 562,
 &end
#
#    0 AMB  25-2:1224     0 AMB  25-1:1224   2.80    (#   1224:25  Double Ambig)
 &rst
  ixpk= 1224, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 594, 901,1248,
 igr2= 556, 557, 558, 560, 561, 562,1222,1223,1224,1226,
      1227,1228,
 &end
#
#    0 AMB  25-2:1225     0 AMB  25-1:1225   4.50    (#   1225:25  Double Ambig)
 &rst
  ixpk= 1225, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.18, r4= 9.93,
 igr1= 917, 918, 647, 648, 868, 869,
 igr2= 556, 557, 558, 560, 561, 562, 633, 634, 635, 637,
       638, 639,
 &end
#
#   65 ILE  QD1          84 VAL  MGY         3.50    (#   1226:25  Unique         3.00, 6.24 A)
 &rst
  ixpk= 1226, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 963, 964, 965,
 igr2=1222,1223,1224,1226,1227,1228,
 &end
#
#    0 AMB  25-2:1228    38 GLU  HA          5.50    (#   1228:25  Single Ambig)
 &rst
  ixpk= 1228, nxpk= 25, iat=  -1, 568, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 205, 950,
 &end
#
#   38 GLU  HN           38 GLU  HA          3.50    (#   1229:25  Unique         2.21, 2.74 A)
 &rst
  ixpk= 1229, nxpk= 25, iat= 566, 568, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   38 GLU  HG-          38 GLU  HA          3.50    (#   1231:25  Unique         2.25, 3.35 A)
 &rst
  ixpk= 1231, nxpk= 25, iat=  -1, 568, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 573, 574,
 &end
#
#   38 GLU  HA           38 GLU  HB-         2.80    (#   1232:25  Unique         2.24, 2.62 A)
 &rst
  ixpk= 1232, nxpk= 25, iat= 568,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 570, 571,
 &end
#
#   38 GLU  HN           38 GLU  HB+         5.50    (#   1233:25  Unique         2.19, 3.13 A)
 &rst
  ixpk= 1233, nxpk= 25, iat= 566,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 570, 571,
 &end
#
#   38 GLU  HN           38 GLU  HB-         4.50    (#   1234:25  Unique         2.19, 3.13 A)
 &rst
  ixpk= 1234, nxpk= 25, iat= 566,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 570, 571,
 &end
#
#   39 SER  HN           38 GLU  HB+         3.50    (#   1235:25  Unique         2.88, 4.05 A)
 &rst
  ixpk= 1235, nxpk= 25, iat= 581,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 570, 571,
 &end
#
#   89 GLU  HN           89 GLU  HG+         3.50    (#   1236:25  Unique         1.85, 2.61 A)
 &rst
  ixpk= 1236, nxpk= 25, iat=1293,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1300,1301,
 &end
#
#   38 GLU  HA           38 GLU  HG+         3.50    (#   1237:25  Unique         2.25, 3.35 A)
 &rst
  ixpk= 1237, nxpk= 25, iat= 568,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 573, 574,
 &end
#
#   39 SER  HB-          39 SER  HA          3.50    (#   1238:25  Unique         2.24, 2.66 A)
 &rst
  ixpk= 1238, nxpk= 25, iat=  -1, 583, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 585, 586,
 &end
#
#   39 SER  HB+          39 SER  HA          3.50    (#   1239:25  Unique         2.24, 2.66 A)
 &rst
  ixpk= 1239, nxpk= 25, iat=  -1, 583, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 585, 586,
 &end
#
#   39 SER  HN           39 SER  HA          3.50    (#   1240:25  Unique         2.19, 2.56 A)
 &rst
  ixpk= 1240, nxpk= 25, iat= 581, 583, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   40 SER  HN           39 SER  HA          2.80    (#   1241:25  Unique         2.23, 2.88 A)
 &rst
  ixpk= 1241, nxpk= 25, iat= 592, 583, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   39 SER  HA           39 SER  HB-         3.50    (#   1244:25  Unique         2.24, 2.66 A)
 &rst
  ixpk= 1244, nxpk= 25, iat= 583,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 585, 586,
 &end
#
#   40 SER  HB+          40 SER  HA          2.80    (#   1247:25  Unique         2.28, 2.66 A)
 &rst
  ixpk= 1247, nxpk= 25, iat=  -1, 594, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 596, 597,
 &end
#
#   40 SER  HN           40 SER  HA          3.50    (#   1248:25  Unique         2.17, 2.51 A)
 &rst
  ixpk= 1248, nxpk= 25, iat= 592, 594, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   41 ARG  HN           40 SER  HA          4.50    (#   1249:25  Unique         2.24, 2.82 A)
 &rst
  ixpk= 1249, nxpk= 25, iat= 603, 594, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   41 ARG  HN           40 SER  HB+         4.50    (#   1250:25  Unique         2.06, 3.59 A)
 &rst
  ixpk= 1250, nxpk= 25, iat= 603,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 596, 597,
 &end
#
#   40 SER  HN           40 SER  HB+         5.50    (#   1251:25  Unique         2.64, 3.59 A)
 &rst
  ixpk= 1251, nxpk= 25, iat= 592,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 596, 597,
 &end
#
#   40 SER  HA           40 SER  HB+         2.80    (#   1252:25  Unique         2.28, 2.66 A)
 &rst
  ixpk= 1252, nxpk= 25, iat= 594,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 596, 597,
 &end
#
#   41 ARG  HB+          40 SER  HB+         4.50    (#   1253:25  Unique         3.60, 5.69 A)
 &rst
  ixpk= 1253, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 607, 608,
 igr2= 596, 597,
 &end
#
#   42 VAL  HN           41 ARG  HA          3.50    (#   1254:25  Unique         2.09, 2.52 A)
 &rst
  ixpk= 1254, nxpk= 25, iat= 627, 605, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   41 ARG  HB+          41 ARG  HA          3.50    (#   1256:25  Unique         2.28, 2.63 A)
 &rst
  ixpk= 1256, nxpk= 25, iat=  -1, 605, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 607, 608,
 &end
#
#   41 ARG  HB-          41 ARG  HA          3.50    (#   1257:25  Unique         2.28, 2.63 A)
 &rst
  ixpk= 1257, nxpk= 25, iat=  -1, 605, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 607, 608,
 &end
#
#   37 LEU  MDX          41 ARG  HA          5.50    (#   1258:25  Unique         2.08, 4.80 A)
 &rst
  ixpk= 1258, nxpk= 25, iat=  -1, 605, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 556, 557, 558, 560, 561, 562,
 &end
#
#   41 ARG  HG-          41 ARG  HB-         3.50    (#   1260:25  Unique         2.21, 2.67 A)
 &rst
  ixpk= 1260, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 610, 611,
 igr2= 607, 608,
 &end
#
#   41 ARG  HD+          41 ARG  HB-         3.50    (#   1263:25  Unique         2.18, 3.29 A)
 &rst
  ixpk= 1263, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 613, 614,
 igr2= 607, 608,
 &end
#
#   41 ARG  HD+          41 ARG  HB+         3.50    (#   1264:25  Unique         2.18, 3.29 A)
 &rst
  ixpk= 1264, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 613, 614,
 igr2= 607, 608,
 &end
#
#   41 ARG  HA           41 ARG  HB+         2.80    (#   1265:25  Unique         2.28, 2.63 A)
 &rst
  ixpk= 1265, nxpk= 25, iat= 605,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 607, 608,
 &end
#
#   41 ARG  HA           41 ARG  HB-         3.50    (#   1266:25  Unique         2.28, 2.63 A)
 &rst
  ixpk= 1266, nxpk= 25, iat= 605,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 607, 608,
 &end
#
#   42 VAL  HN           41 ARG  HB+         4.50    (#   1267:25  Unique         1.87, 3.10 A)
 &rst
  ixpk= 1267, nxpk= 25, iat= 627,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 607, 608,
 &end
#
#   42 VAL  HN           41 ARG  HB-         4.50    (#   1268:25  Unique         1.87, 3.10 A)
 &rst
  ixpk= 1268, nxpk= 25, iat= 627,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 607, 608,
 &end
#
#  129 LYS  HA          129 LYS  HG+         3.50    (#   1269:25  Unique         2.60, 2.82 A)
 &rst
  ixpk= 1269, nxpk= 25, iat=1952,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1957,1958,
 &end
#
#   41 ARG  HG-          41 ARG  HD+         2.80    (#   1270:25  Unique         2.24, 2.71 A)
 &rst
  ixpk= 1270, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 610, 611,
 igr2= 613, 614,
 &end
#
#   10 ARG  HB-          10 ARG  HD+         2.80    (#   1271:25  Unique         2.13, 3.40 A)
 &rst
  ixpk= 1271, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 171, 172,
 igr2= 177, 178,
 &end
#
#  104 PRO  HD+          10 ARG  HD+         4.50    (#   1273:25  Unique         4.05, 5.92 A)
 &rst
  ixpk= 1273, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1548,1549,
 igr2= 177, 178,
 &end
#
#  105 ASP  HA           10 ARG  HD+         5.50    (#   1274:25  Unique         2.24, 3.53 A)
 &rst
  ixpk= 1274, nxpk= 25, iat=1563,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 177, 178,
 &end
#
#  103 ASP  HA           10 ARG  HD+         5.50    (#   1279:25  Unique         4.50, 5.92 A)
 &rst
  ixpk= 1279, nxpk= 25, iat=1537,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 177, 178,
 &end
#
#  106 GLY  HN           10 ARG  HD+         4.50    (#   1281:25  Unique         4.12, 5.36 A)
 &rst
  ixpk= 1281, nxpk= 25, iat=1573,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 177, 178,
 &end
#
#   41 ARG  HN           41 ARG  HD+         3.50    (#   1282:25  Unique         2.17, 3.63 A)
 &rst
  ixpk= 1282, nxpk= 25, iat= 603,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 613, 614,
 &end
#
#   42 VAL  HN           42 VAL  HA          4.50    (#   1283:25  Unique         2.14, 2.71 A)
 &rst
  ixpk= 1283, nxpk= 25, iat= 627, 629, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   42 VAL  HB           42 VAL  HA          3.50    (#   1287:25  Unique         2.31, 2.61 A)
 &rst
  ixpk= 1287, nxpk= 25, iat= 631, 629, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    7 VAL  HB           78 SER  HB+         4.50    (#   1288:25  Unique         2.54, 3.36 A)
 &rst
  ixpk= 1288, nxpk= 25, iat= 122,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1154,1155,
 &end
#
#   42 VAL  HN           42 VAL  HB          3.50    (#   1289:25  Unique         2.18, 3.31 A)
 &rst
  ixpk= 1289, nxpk= 25, iat= 627, 631, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   43 HIS  HN           43 HIS  HB+         3.50    (#   1293:25  Unique         2.49, 2.83 A)
 &rst
  ixpk= 1293, nxpk= 25, iat= 643,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 647, 648,
 &end
#
#   43 HIS  HN           43 HIS  HB-         3.50    (#   1294:25  Unique         2.49, 2.83 A)
 &rst
  ixpk= 1294, nxpk= 25, iat= 643,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 647, 648,
 &end
#
#   46 ALA  HN           43 HIS  HB+         4.50    (#   1295:25  Unique         2.83, 4.02 A)
 &rst
  ixpk= 1295, nxpk= 25, iat= 688,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 647, 648,
 &end
#
#   46 ALA  HN           43 HIS  HB-         4.50    (#   1296:25  Unique         2.83, 4.02 A)
 &rst
  ixpk= 1296, nxpk= 25, iat= 688,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 647, 648,
 &end
#
#   43 HIS  HD2          43 HIS  HB+         4.50    (#   1297:25  Unique         2.34, 3.13 A)
 &rst
  ixpk= 1297, nxpk= 25, iat= 656,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 647, 648,
 &end
#
#   43 HIS  HA           43 HIS  HB+         3.50    (#   1300:25  Unique         2.26, 2.74 A)
 &rst
  ixpk= 1300, nxpk= 25, iat= 645,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 647, 648,
 &end
#
#   43 HIS  HA           43 HIS  HB-         4.50    (#   1301:25  Unique         2.26, 2.74 A)
 &rst
  ixpk= 1301, nxpk= 25, iat= 645,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 647, 648,
 &end
#
#    0 AMB  25-2:1302     0 AMB  25-1:1302   4.50    (#   1302:25  Double Ambig)
 &rst
  ixpk= 1302, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 661, 662, 629,
 igr2= 647, 648, 647, 648,
 &end
#
#    0 AMB  25-2:1303    43 HIS  HB-         5.50    (#   1303:25  Single Ambig)
 &rst
  ixpk= 1303, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 661, 662, 629,
 igr2= 647, 648,
 &end
#
#   46 ALA  MB           43 HIS  HB+         3.50    (#   1304:25  Unique         2.56, 4.59 A)
 &rst
  ixpk= 1304, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 692, 693, 694,
 igr2= 647, 648,
 &end
#
#   46 ALA  MB           43 HIS  HB-         3.50    (#   1305:25  Unique         2.56, 4.59 A)
 &rst
  ixpk= 1305, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 692, 693, 694,
 igr2= 647, 648,
 &end
#
#   47 ILE  HG1+         44 PRO  HA          5.50    (#   1306:25  Unique         3.51, 4.18 A)
 &rst
  ixpk= 1306, nxpk= 25, iat=  -1, 670, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 708, 709,
 &end
#
#   27 ALA  MB           24 THR  HA          3.50    (#   1308:25  Unique         3.23, 4.42 A)
 &rst
  ixpk= 1308, nxpk= 25, iat=  -1, 382, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 424, 425, 426,
 &end
#
#   44 PRO  HD-          44 PRO  HA          5.50    (#   1309:25  Unique         2.90, 3.74 A)
 &rst
  ixpk= 1309, nxpk= 25, iat=  -1, 670, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 661, 662,
 &end
#
#   47 ILE  HN           44 PRO  HA          3.50    (#   1310:25  Unique         2.94, 3.11 A)
 &rst
  ixpk= 1310, nxpk= 25, iat= 698, 670, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   48 ALA  HN           44 PRO  HA          5.50    (#   1311:25  Unique         3.86, 4.03 A)
 &rst
  ixpk= 1311, nxpk= 25, iat= 717, 670, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   45 THR  HN           44 PRO  HA          5.50    (#   1312:25  Unique         3.61, 3.63 A)
 &rst
  ixpk= 1312, nxpk= 25, iat= 674, 670, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   45 THR  HN           44 PRO  HB-         5.50    (#   1313:25  Unique         3.15, 3.93 A)
 &rst
  ixpk= 1313, nxpk= 25, iat= 674,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 667, 668,
 &end
#
#   44 PRO  HD+          44 PRO  HB-         3.50    (#   1314:25  Unique         2.56, 3.60 A)
 &rst
  ixpk= 1314, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 661, 662,
 igr2= 667, 668,
 &end
#
#   44 PRO  HD+          44 PRO  HB+         3.50    (#   1315:25  Unique         2.56, 3.60 A)
 &rst
  ixpk= 1315, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 661, 662,
 igr2= 667, 668,
 &end
#
#   44 PRO  HD-          44 PRO  HB-         3.50    (#   1316:25  Unique         2.56, 3.60 A)
 &rst
  ixpk= 1316, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 661, 662,
 igr2= 667, 668,
 &end
#
#    0 AMB  25-2:1317     0 AMB  25-1:1317   3.50    (#   1317:25  Double Ambig)
 &rst
  ixpk= 1317, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 633, 634, 635, 637, 638, 639, 711, 712, 713,
 igr2= 667, 668, 667, 668,
 &end
#
#    0 AMB  25-2:1318    44 PRO  HB-         4.50    (#   1318:25  Single Ambig)
 &rst
  ixpk= 1318, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 633, 634, 635, 637, 638, 639, 711, 712, 713,
 igr2= 667, 668,
 &end
#
#   44 PRO  HB+          44 PRO  HG+         2.80    (#   1319:25  Unique         2.32, 2.64 A)
 &rst
  ixpk= 1319, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 667, 668,
 igr2= 664, 665,
 &end
#
#   43 HIS  HA           44 PRO  HD-         2.80    (#   1320:25  Unique         1.99, 2.38 A)
 &rst
  ixpk= 1320, nxpk= 25, iat= 645,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 661, 662,
 &end
#
#   44 PRO  HA           44 PRO  HD-         5.50    (#   1321:25  Unique         2.90, 3.74 A)
 &rst
  ixpk= 1321, nxpk= 25, iat= 670,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 661, 662,
 &end
#
#   44 PRO  HA           44 PRO  HD+         3.50    (#   1322:25  Unique         2.90, 3.74 A)
 &rst
  ixpk= 1322, nxpk= 25, iat= 670,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 661, 662,
 &end
#
#   44 PRO  HB+          44 PRO  HD+         3.50    (#   1323:25  Unique         2.56, 3.60 A)
 &rst
  ixpk= 1323, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 667, 668,
 igr2= 661, 662,
 &end
#
#   44 PRO  HB+          44 PRO  HD-         5.50    (#   1324:25  Unique         2.56, 3.60 A)
 &rst
  ixpk= 1324, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 667, 668,
 igr2= 661, 662,
 &end
#
#    0 AMB  25-2:1325    44 PRO  HD-         2.80    (#   1325:25  Single Ambig)
 &rst
  ixpk= 1325, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 664, 665, 667, 668,
 igr2= 661, 662,
 &end
#
#    0 AMB  25-2:1326     0 AMB  25-1:1326   2.80    (#   1326:25  Double Ambig)
 &rst
  ixpk= 1326, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 664, 665, 667, 668,
 igr2= 661, 662, 661, 662,
 &end
#
#    0 AMB  25-2:1327    45 THR  HA          3.50    (#   1327:25  Single Ambig)
 &rst
  ixpk= 1327, nxpk= 25, iat=  -1, 676, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 738, 739, 740, 664, 665, 702,
 &end
#
#   49 MET  HG+          45 THR  HA          4.50    (#   1328:25  Unique         3.75, 4.54 A)
 &rst
  ixpk= 1328, nxpk= 25, iat=  -1, 676, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 734, 735,
 &end
#
#   45 THR  HB           45 THR  HA          4.50    (#   1329:25  Unique         3.00, 3.03 A)
 &rst
  ixpk= 1329, nxpk= 25, iat= 678, 676, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   46 ALA  HN           45 THR  HA          4.50    (#   1331:25  Unique         3.58, 3.60 A)
 &rst
  ixpk= 1331, nxpk= 25, iat= 688, 676, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   48 ALA  HN           45 THR  HA          3.50    (#   1332:25  Unique         3.17, 3.33 A)
 &rst
  ixpk= 1332, nxpk= 25, iat= 717, 676, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   49 MET  HN           45 THR  HA          4.50    (#   1333:25  Unique         3.71, 3.88 A)
 &rst
  ixpk= 1333, nxpk= 25, iat= 727, 676, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   45 THR  HN           45 THR  HA          3.50    (#   1334:25  Unique         2.78, 2.80 A)
 &rst
  ixpk= 1334, nxpk= 25, iat= 674, 676, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   45 THR  HN           45 THR  HB          4.50    (#   1335:25  Unique         2.57, 2.73 A)
 &rst
  ixpk= 1335, nxpk= 25, iat= 674, 678, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   47 ILE  HN           45 THR  HB          5.50    (#   1336:25  Unique         5.19, 5.27 A)
 &rst
  ixpk= 1336, nxpk= 25, iat= 698, 678, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   45 THR  HA           45 THR  HB          3.50    (#   1338:25  Unique         3.00, 3.03 A)
 &rst
  ixpk= 1338, nxpk= 25, iat= 676, 678, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   45 THR  MG2          45 THR  HB          2.80    (#   1339:25  Unique         2.42, 2.66 A)
 &rst
  ixpk= 1339, nxpk= 25, iat=  -1, 678, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 680, 681, 682,
 &end
#
#   48 ALA  MB           45 THR  MG2         3.50    (#   1340:25  Unique         3.56, 5.63 A)
 &rst
  ixpk= 1340, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 721, 722, 723,
 igr2= 680, 681, 682,
 &end
#
#   49 MET  ME           45 THR  MG2         3.50    (#   1341:25  Unique         2.77, 5.37 A)
 &rst
  ixpk= 1341, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 738, 739, 740,
 igr2= 680, 681, 682,
 &end
#
#   49 MET  HG+          45 THR  MG2         3.50    (#   1342:25  Unique         2.11, 3.75 A)
 &rst
  ixpk= 1342, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 734, 735,
 igr2= 680, 681, 682,
 &end
#
#  112 PHE  HB-          45 THR  MG2         5.50    (#   1343:25  Unique         3.26, 4.91 A)
 &rst
  ixpk= 1343, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1662,1663,
 igr2= 680, 681, 682,
 &end
#
#   49 MET  HB+          45 THR  MG2         5.50    (#   1344:25  Unique         4.10, 5.77 A)
 &rst
  ixpk= 1344, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 731, 732,
 igr2= 680, 681, 682,
 &end
#
#   45 THR  HB           45 THR  MG2         3.50    (#   1345:25  Unique         2.42, 2.66 A)
 &rst
  ixpk= 1345, nxpk= 25, iat= 678,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 680, 681, 682,
 &end
#
#  112 PHE  HA           45 THR  MG2         5.50    (#   1346:25  Unique         5.78, 6.86 A)
 &rst
  ixpk= 1346, nxpk= 25, iat=1660,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 680, 681, 682,
 &end
#
#   45 THR  HA           45 THR  MG2         3.50    (#   1347:25  Unique         2.39, 3.06 A)
 &rst
  ixpk= 1347, nxpk= 25, iat= 676,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 680, 681, 682,
 &end
#
#  112 PHE  HD           45 THR  MG2         4.50    (#   1349:25  Unique         2.84, 4.72 A)
 &rst
  ixpk= 1349, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1666,1674,
 igr2= 680, 681, 682,
 &end
#
#  112 PHE  HD           46 ALA  HA          3.50    (#   1350:25  Unique         2.56, 5.04 A)
 &rst
  ixpk= 1350, nxpk= 25, iat=  -1, 690, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1666,1674,
 &end
#
#    0 AMB  25-2:1351     0 AMB  25-1:1351   4.50    (#   1351:25  Double Ambig)
 &rst
  ixpk= 1351, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 332, 333, 647, 648,
 igr2= 350, 690,
 &end
#
#   57 ILE  QD1          46 ALA  MB          3.50    (#   1352:25  Unique         2.10, 3.51 A)
 &rst
  ixpk= 1352, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 858, 859, 860,
 igr2= 692, 693, 694,
 &end
#
#   47 ILE  QD1          46 ALA  MB          3.50    (#   1353:25  Unique         2.51, 4.79 A)
 &rst
  ixpk= 1353, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 711, 712, 713,
 igr2= 692, 693, 694,
 &end
#
#    0 AMB  25-2:1354    46 ALA  MB          3.50    (#   1354:25  Single Ambig)
 &rst
  ixpk= 1354, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 283, 284, 748, 749,
 igr2= 692, 693, 694,
 &end
#
#   49 MET  HB+          46 ALA  MB          4.50    (#   1355:25  Unique         4.11, 5.54 A)
 &rst
  ixpk= 1355, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 731, 732,
 igr2= 692, 693, 694,
 &end
#
#   50 MET  HG+          46 ALA  MB          5.50    (#   1356:25  Unique         2.66, 4.73 A)
 &rst
  ixpk= 1356, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 751, 752,
 igr2= 692, 693, 694,
 &end
#
#   43 HIS  HB-          46 ALA  MB          3.50    (#   1357:25  Unique         2.56, 4.59 A)
 &rst
  ixpk= 1357, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 647, 648,
 igr2= 692, 693, 694,
 &end
#
#   43 HIS  HB+          46 ALA  MB          3.50    (#   1358:25  Unique         2.56, 4.59 A)
 &rst
  ixpk= 1358, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 647, 648,
 igr2= 692, 693, 694,
 &end
#
#   46 ALA  HA           46 ALA  MB          2.80    (#   1359:25  Unique         2.31, 2.66 A)
 &rst
  ixpk= 1359, nxpk= 25, iat= 690,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 692, 693, 694,
 &end
#
#  112 PHE  HD           46 ALA  MB          5.50    (#   1361:25  Unique         2.69, 6.66 A)
 &rst
  ixpk= 1361, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1666,1674,
 igr2= 692, 693, 694,
 &end
#
#   46 ALA  HN           46 ALA  MB          3.50    (#   1362:25  Unique         2.38, 3.02 A)
 &rst
  ixpk= 1362, nxpk= 25, iat= 688,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 692, 693, 694,
 &end
#
#   47 ILE  HN           46 ALA  MB          4.50    (#   1363:25  Unique         2.53, 3.52 A)
 &rst
  ixpk= 1363, nxpk= 25, iat= 698,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 692, 693, 694,
 &end
#
#   43 HIS  HN           46 ALA  MB          4.50    (#   1364:25  Unique         3.37, 4.85 A)
 &rst
  ixpk= 1364, nxpk= 25, iat= 643,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 692, 693, 694,
 &end
#
#  127 ILE  HN          127 ILE  HA          3.50    (#   1365:25  Unique         2.84, 2.85 A)
 &rst
  ixpk= 1365, nxpk= 25, iat=1921,1923, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   47 ILE  HN           47 ILE  HA          3.50    (#   1366:25  Unique         2.78, 2.81 A)
 &rst
  ixpk= 1366, nxpk= 25, iat= 698, 700, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   48 ALA  HN           47 ILE  HA          4.50    (#   1367:25  Unique         3.61, 3.63 A)
 &rst
  ixpk= 1367, nxpk= 25, iat= 717, 700, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   51 GLU  HB+          47 ILE  HA          4.50    (#   1369:25  Unique         4.52, 5.15 A)
 &rst
  ixpk= 1369, nxpk= 25, iat=  -1, 700, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 765, 766,
 &end
#
#   47 ILE  HB           47 ILE  HA          2.80    (#   1370:25  Unique         2.96, 2.98 A)
 &rst
  ixpk= 1370, nxpk= 25, iat= 702, 700, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   47 ILE  HG1-         47 ILE  HA          3.50    (#   1371:25  Unique         2.29, 3.00 A)
 &rst
  ixpk= 1371, nxpk= 25, iat=  -1, 700, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 708, 709,
 &end
#
#   47 ILE  QG2          47 ILE  HA          2.80    (#   1372:25  Unique         2.76, 3.44 A)
 &rst
  ixpk= 1372, nxpk= 25, iat=  -1, 700, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 704, 705, 706,
 &end
#
#   47 ILE  HG1+         47 ILE  HB          3.50    (#   1373:25  Unique         2.46, 2.77 A)
 &rst
  ixpk= 1373, nxpk= 25, iat=  -1, 702, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 708, 709,
 &end
#
#   48 ALA  MB           47 ILE  HB          4.50    (#   1374:25  Unique         4.49, 5.30 A)
 &rst
  ixpk= 1374, nxpk= 25, iat=  -1, 702, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 721, 722, 723,
 &end
#
#   47 ILE  HG1-         47 ILE  HB          2.80    (#   1375:25  Unique         2.46, 2.77 A)
 &rst
  ixpk= 1375, nxpk= 25, iat=  -1, 702, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 708, 709,
 &end
#
#   44 PRO  HA           47 ILE  HB          2.80    (#   1376:25  Unique         2.14, 2.32 A)
 &rst
  ixpk= 1376, nxpk= 25, iat= 670, 702, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   47 ILE  HA           47 ILE  HB          3.50    (#   1377:25  Unique         2.96, 2.98 A)
 &rst
  ixpk= 1377, nxpk= 25, iat= 700, 702, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   46 ALA  HN           47 ILE  HB          4.50    (#   1378:25  Unique         4.35, 4.48 A)
 &rst
  ixpk= 1378, nxpk= 25, iat= 688, 702, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   48 ALA  HN           47 ILE  HB          2.80    (#   1379:25  Unique         2.58, 2.72 A)
 &rst
  ixpk= 1379, nxpk= 25, iat= 717, 702, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   47 ILE  HN           47 ILE  HB          2.80    (#   1380:25  Unique         2.21, 2.28 A)
 &rst
  ixpk= 1380, nxpk= 25, iat= 698, 702, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   47 ILE  HN           47 ILE  HG1+        4.50    (#   1381:25  Unique         3.69, 3.90 A)
 &rst
  ixpk= 1381, nxpk= 25, iat= 698,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 708, 709,
 &end
#
#   47 ILE  HN           47 ILE  HG1-        3.50    (#   1382:25  Unique         3.69, 3.90 A)
 &rst
  ixpk= 1382, nxpk= 25, iat= 698,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 708, 709,
 &end
#
#   58 SER  HB+          47 ILE  HG1+        5.50    (#   1383:25  Unique         2.10, 3.52 A)
 &rst
  ixpk= 1383, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 868, 869,
 igr2= 708, 709,
 &end
#
#   47 ILE  HA           47 ILE  HG1+        3.50    (#   1384:25  Unique         2.29, 3.00 A)
 &rst
  ixpk= 1384, nxpk= 25, iat= 700,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 708, 709,
 &end
#
#   47 ILE  HB           47 ILE  HG1+        4.50    (#   1385:25  Unique         2.46, 2.77 A)
 &rst
  ixpk= 1385, nxpk= 25, iat= 702,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 708, 709,
 &end
#
#    0 AMB  25-2:1387     0 AMB  25-1:1387   2.80    (#   1387:25  Double Ambig)
 &rst
  ixpk= 1387, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 711, 712, 713, 633, 634, 635, 637, 638, 639,
 igr2= 708, 709, 708, 709,
 &end
#
#   57 ILE  HG1-         47 ILE  HG1+        3.50    (#   1388:25  Unique         2.84, 4.38 A)
 &rst
  ixpk= 1388, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 855, 856,
 igr2= 708, 709,
 &end
#
#    0 AMB  25-2:1389    47 ILE  QD1         3.50    (#   1389:25  Single Ambig)
 &rst
  ixpk= 1389, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,
 igr1= 708, 709, 858, 859, 860,
 igr2= 711, 712, 713,
 &end
#
#    0 AMB  25-2:1390    30 ILE  QD1         2.80    (#   1390:25  Single Ambig)
 &rst
  ixpk= 1390, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 469, 470,1931,1932,
 igr2= 472, 473, 474,
 &end
#
#  131 SER  HB+         127 ILE  QG2         3.50    (#   1391:25  Unique         2.29, 4.07 A)
 &rst
  ixpk= 1391, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1995,1996,
 igr2=1927,1928,1929,
 &end
#
#    0 AMB  25-2:1392     0 AMB  25-1:1392   3.50    (#   1392:25  Double Ambig)
 &rst
  ixpk= 1392, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1=1995,1996, 868, 869,
 igr2=1927,1928,1929, 704, 705, 706,
 &end
#
#  127 ILE  HA          127 ILE  QG2         2.80    (#   1393:25  Unique         2.90, 3.51 A)
 &rst
  ixpk= 1393, nxpk= 25, iat=1923,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1927,1928,1929,
 &end
#
#    2 LYS  HE+         130 ILE  QG2         3.50    (#   1394:25  Unique         3.33, 5.14 A)
 &rst
  ixpk= 1394, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=  34,  35,
 igr2=1978,1979,1980,
 &end
#
#   47 ILE  QG2          48 ALA  HA          3.50    (#   1395:25  Unique         3.20, 4.22 A)
 &rst
  ixpk= 1395, nxpk= 25, iat=  -1, 719, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 704, 705, 706,
 &end
#
#    0 AMB  25-2:1396     0 AMB  25-1:1396   4.50    (#   1396:25  Double Ambig)
 &rst
  ixpk= 1396, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1022,1023,1022,1023,
 igr2=1056,1044,
 &end
#
#   93 GLN  HE2+         71 ASP  HA          3.50    (#   1397:25  Unique         2.19, 2.56 A)
 &rst
  ixpk= 1397, nxpk= 25, iat=  -1,1044, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1374,1375,
 &end
#
#   48 ALA  HN           48 ALA  HA          2.80    (#   1398:25  Unique         2.81, 2.82 A)
 &rst
  ixpk= 1398, nxpk= 25, iat= 717, 719, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   51 GLU  HN           48 ALA  HA          3.50    (#   1399:25  Unique         3.09, 3.23 A)
 &rst
  ixpk= 1399, nxpk= 25, iat= 761, 719, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   49 MET  HN           48 ALA  HA          3.50    (#   1400:25  Unique         3.56, 3.57 A)
 &rst
  ixpk= 1400, nxpk= 25, iat= 727, 719, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   49 MET  HN           48 ALA  MB          3.50    (#   1401:25  Unique         2.41, 3.37 A)
 &rst
  ixpk= 1401, nxpk= 25, iat= 727,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 721, 722, 723,
 &end
#
#   49 MET  HG+          48 ALA  MB          3.50    (#   1402:25  Unique         3.09, 5.20 A)
 &rst
  ixpk= 1402, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 734, 735,
 igr2= 721, 722, 723,
 &end
#
#    0 AMB  25-2:1403    48 ALA  MB          3.50    (#   1403:25  Single Ambig)
 &rst
  ixpk= 1403, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 765, 766, 780, 781,
 igr2= 721, 722, 723,
 &end
#
#   49 MET  ME           48 ALA  MB          3.50    (#   1404:25  Unique         2.33, 5.29 A)
 &rst
  ixpk= 1404, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 738, 739, 740,
 igr2= 721, 722, 723,
 &end
#
#   45 THR  MG2          48 ALA  MB          4.50    (#   1405:25  Unique         3.56, 5.63 A)
 &rst
  ixpk= 1405, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 680, 681, 682,
 igr2= 721, 722, 723,
 &end
#
#    0 AMB  25-2:1406    49 MET  HA          4.50    (#   1406:25  Single Ambig)
 &rst
  ixpk= 1406, nxpk= 25, iat=  -1, 729, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1=1685,1686, 721, 722, 723,
 &end
#
#   49 MET  HB-          49 MET  HA          3.50    (#   1407:25  Unique         2.47, 2.80 A)
 &rst
  ixpk= 1407, nxpk= 25, iat=  -1, 729, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 731, 732,
 &end
#
#   49 MET  HB+          49 MET  HA          2.80    (#   1408:25  Unique         2.47, 2.80 A)
 &rst
  ixpk= 1408, nxpk= 25, iat=  -1, 729, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 731, 732,
 &end
#
#   49 MET  HG+          49 MET  HA          2.80    (#   1409:25  Unique         2.68, 3.26 A)
 &rst
  ixpk= 1409, nxpk= 25, iat=  -1, 729, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 734, 735,
 &end
#
#   52 GLU  HG+          49 MET  HA          3.50    (#   1410:25  Unique         2.06, 3.26 A)
 &rst
  ixpk= 1410, nxpk= 25, iat=  -1, 729, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 783, 784,
 &end
#
#   52 GLU  HN           49 MET  HA          3.50    (#   1411:25  Unique         3.36, 3.51 A)
 &rst
  ixpk= 1411, nxpk= 25, iat= 776, 729, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   48 ALA  HN           49 MET  HA          5.50    (#   1412:25  Unique         5.37, 5.41 A)
 &rst
  ixpk= 1412, nxpk= 25, iat= 717, 729, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   49 MET  HN           49 MET  HA          2.80    (#   1413:25  Unique         2.82, 2.84 A)
 &rst
  ixpk= 1413, nxpk= 25, iat= 727, 729, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   49 MET  HN           49 MET  HB+         3.50    (#   1414:25  Unique         2.27, 2.96 A)
 &rst
  ixpk= 1414, nxpk= 25, iat= 727,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 731, 732,
 &end
#
#   49 MET  HA           49 MET  HB+         3.50    (#   1415:25  Unique         2.47, 2.80 A)
 &rst
  ixpk= 1415, nxpk= 25, iat= 729,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 731, 732,
 &end
#
#  104 PRO  HA          107 GLN  HG+         3.50    (#   1416:25  Unique         1.99, 2.62 A)
 &rst
  ixpk= 1416, nxpk= 25, iat=1557,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1587,1588,
 &end
#
#  116 ARG  HD-          49 MET  HB+         4.50    (#   1417:25  Unique         3.30, 5.02 A)
 &rst
  ixpk= 1417, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1742,1743,
 igr2= 731, 732,
 &end
#
#   45 THR  MG2          49 MET  HG+         3.50    (#   1418:25  Unique         2.11, 3.75 A)
 &rst
  ixpk= 1418, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 680, 681, 682,
 igr2= 734, 735,
 &end
#
#  109 LEU  MDY          49 MET  HG+         4.50    (#   1419:25  Unique         2.88, 5.16 A)
 &rst
  ixpk= 1419, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1617,1618,1619,1621,1622,1623,
 igr2= 734, 735,
 &end
#
#    0 AMB  25-2:1420     0 AMB  25-1:1420   5.50    (#   1420:25  Double Ambig)
 &rst
  ixpk= 1420, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.06, r4= 9.81,
 igr1=1685,1686, 721, 722, 723,
 igr2= 734, 735, 734, 735,
 &end
#
#   49 MET  HB-          49 MET  HG+         3.50    (#   1421:25  Unique         2.16, 2.61 A)
 &rst
  ixpk= 1421, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 731, 732,
 igr2= 734, 735,
 &end
#
#   49 MET  ME           49 MET  HG+         2.80    (#   1422:25  Unique         2.13, 3.46 A)
 &rst
  ixpk= 1422, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 738, 739, 740,
 igr2= 734, 735,
 &end
#
#  112 PHE  HB-          49 MET  HG+         3.50    (#   1423:25  Unique         2.04, 3.13 A)
 &rst
  ixpk= 1423, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1662,1663,
 igr2= 734, 735,
 &end
#
#  112 PHE  HB+          49 MET  HG+         4.50    (#   1424:25  Unique         2.04, 3.13 A)
 &rst
  ixpk= 1424, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1662,1663,
 igr2= 734, 735,
 &end
#
#   46 ALA  HA           49 MET  HG+         3.50    (#   1425:25  Unique         3.16, 3.80 A)
 &rst
  ixpk= 1425, nxpk= 25, iat= 690,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 734, 735,
 &end
#
#   49 MET  HA           49 MET  HG+         3.50    (#   1426:25  Unique         2.68, 3.26 A)
 &rst
  ixpk= 1426, nxpk= 25, iat= 729,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 734, 735,
 &end
#
#  112 PHE  HD           49 MET  HG+         4.50    (#   1427:25  Unique         2.16, 4.34 A)
 &rst
  ixpk= 1427, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1666,1674,
 igr2= 734, 735,
 &end
#
#   50 MET  HN           49 MET  HG+         5.50    (#   1429:25  Unique         4.47, 4.93 A)
 &rst
  ixpk= 1429, nxpk= 25, iat= 744,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 734, 735,
 &end
#
#   49 MET  HN           49 MET  HG+         3.50    (#   1430:25  Unique         2.31, 3.02 A)
 &rst
  ixpk= 1430, nxpk= 25, iat= 727,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 734, 735,
 &end
#
#  110 GLU  HN          110 GLU  HB-         2.80    (#   1431:25  Unique         2.49, 3.04 A)
 &rst
  ixpk= 1431, nxpk= 25, iat=1627,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1631,1632,
 &end
#
#  110 GLU  HN          110 GLU  HB+         2.80    (#   1432:25  Unique         2.49, 3.04 A)
 &rst
  ixpk= 1432, nxpk= 25, iat=1627,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1631,1632,
 &end
#
#   50 MET  HN           50 MET  HB+         4.50    (#   1433:25  Unique         2.35, 3.09 A)
 &rst
  ixpk= 1433, nxpk= 25, iat= 744,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 748, 749,
 &end
#
#   55 ILE  HN           50 MET  HB-         3.50    (#   1434:25  Unique         3.21, 3.92 A)
 &rst
  ixpk= 1434, nxpk= 25, iat= 814,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 748, 749,
 &end
#
#    0 AMB  25-2:1435    50 MET  HB-         2.80    (#   1435:25  Single Ambig)
 &rst
  ixpk= 1435, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 818, 855, 856,
 igr2= 748, 749,
 &end
#
#  101 LEU  MDX         118 GLN  HB-         2.80    (#   1436:25  Unique         2.21, 4.28 A)
 &rst
  ixpk= 1436, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1510,1511,1512,1514,1515,1516,
 igr2=1767,1768,
 &end
#
#   17 MET  ME           50 MET  HB+         3.50    (#   1437:25  Unique         2.98, 4.55 A)
 &rst
  ixpk= 1437, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 290, 291, 292,
 igr2= 748, 749,
 &end
#
#   57 ILE  QD1          50 MET  HB+         5.50    (#   1438:25  Unique         2.96, 4.55 A)
 &rst
  ixpk= 1438, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 858, 859, 860,
 igr2= 748, 749,
 &end
#
#   57 ILE  QD1          50 MET  HG+         3.50    (#   1439:25  Unique         2.09, 3.06 A)
 &rst
  ixpk= 1439, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 858, 859, 860,
 igr2= 751, 752,
 &end
#
#   57 ILE  QD1          50 MET  HG-         3.50    (#   1440:25  Unique         2.09, 3.06 A)
 &rst
  ixpk= 1440, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 858, 859, 860,
 igr2= 751, 752,
 &end
#
#   57 ILE  QG2          50 MET  HG+         3.50    (#   1441:25  Unique         2.48, 4.34 A)
 &rst
  ixpk= 1441, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 851, 852, 853,
 igr2= 751, 752,
 &end
#
#   57 ILE  QG2          50 MET  HG-         2.80    (#   1442:25  Unique         2.48, 4.34 A)
 &rst
  ixpk= 1442, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 851, 852, 853,
 igr2= 751, 752,
 &end
#
#   57 ILE  HG1+         50 MET  HG-         4.50    (#   1443:25  Unique         2.52, 3.63 A)
 &rst
  ixpk= 1443, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 855, 856,
 igr2= 751, 752,
 &end
#
#   50 MET  HB-          50 MET  HG+         4.50    (#   1444:25  Unique         2.19, 2.52 A)
 &rst
  ixpk= 1444, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 748, 749,
 igr2= 751, 752,
 &end
#
#   50 MET  HN           50 MET  HG+         3.50    (#   1448:25  Unique         2.59, 3.48 A)
 &rst
  ixpk= 1448, nxpk= 25, iat= 744,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 751, 752,
 &end
#
#   50 MET  HN           50 MET  HG-         3.50    (#   1449:25  Unique         2.59, 3.48 A)
 &rst
  ixpk= 1449, nxpk= 25, iat= 744,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 751, 752,
 &end
#
#    0 AMB  25-2:1450    51 GLU  HA          4.50    (#   1450:25  Single Ambig)
 &rst
  ixpk= 1450, nxpk= 25, iat=  -1, 763, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 818, 797, 798, 799, 801, 802, 803, 855, 856,
 &end
#
#    0 AMB  25-2:1451    51 GLU  HA          5.50    (#   1451:25  Single Ambig)
 &rst
  ixpk= 1451, nxpk= 25, iat=  -1, 763, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 837, 838, 751, 752,
 &end
#
#   53 VAL  HN           51 GLU  HA          4.50    (#   1453:25  Unique         3.43, 3.54 A)
 &rst
  ixpk= 1453, nxpk= 25, iat= 791, 763, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   52 GLU  HN           51 GLU  HA          3.50    (#   1454:25  Unique         3.53, 3.55 A)
 &rst
  ixpk= 1454, nxpk= 25, iat= 776, 763, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   51 GLU  HN           51 GLU  HA          3.50    (#   1455:25  Unique         2.81, 2.83 A)
 &rst
  ixpk= 1455, nxpk= 25, iat= 761, 763, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  108 SER  HN          107 GLN  HB+         3.50    (#   1456:25  Unique         1.85, 2.92 A)
 &rst
  ixpk= 1456, nxpk= 25, iat=1597,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1584,1585,
 &end
#
#   51 GLU  HN           51 GLU  HB+         3.50    (#   1457:25  Unique         2.39, 2.47 A)
 &rst
  ixpk= 1457, nxpk= 25, iat= 761,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 765, 766,
 &end
#
#   60 GLN  HA           60 GLN  HB+         3.50    (#   1459:25  Unique         2.24, 2.69 A)
 &rst
  ixpk= 1459, nxpk= 25, iat= 884,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 886, 887,
 &end
#
#  111 VAL  MGY         107 GLN  HB+         3.50    (#   1460:25  Unique         2.99, 4.67 A)
 &rst
  ixpk= 1460, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1648,1649,1650,1652,1653,1654,
 igr2=1584,1585,
 &end
#
#  111 VAL  MGX         107 GLN  HB+         3.50    (#   1461:25  Unique         2.99, 4.67 A)
 &rst
  ixpk= 1461, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1648,1649,1650,1652,1653,1654,
 igr2=1584,1585,
 &end
#
#   67 ASN  HN           66 GLU  HG+         4.50    (#   1462:25  Unique         3.07, 4.99 A)
 &rst
  ixpk= 1462, nxpk= 25, iat= 984,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 976, 977,
 &end
#
#   94 GLU  HN           94 GLU  HG-         3.50    (#   1463:25  Unique         3.72, 4.08 A)
 &rst
  ixpk= 1463, nxpk= 25, iat=1379,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1386,1387,
 &end
#
#   94 GLU  HN           94 GLU  HG+         3.50    (#   1464:25  Unique         3.72, 4.08 A)
 &rst
  ixpk= 1464, nxpk= 25, iat=1379,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1386,1387,
 &end
#
#   95 ILE  HN           94 GLU  HG+         4.50    (#   1465:25  Unique         2.93, 3.71 A)
 &rst
  ixpk= 1465, nxpk= 25, iat=1394,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1386,1387,
 &end
#
#   52 GLU  HG+          52 GLU  HA          3.50    (#   1468:25  Unique         2.47, 3.18 A)
 &rst
  ixpk= 1468, nxpk= 25, iat=  -1, 778, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 783, 784,
 &end
#
#   53 VAL  HN           52 GLU  HA          3.50    (#   1470:25  Unique         3.20, 3.45 A)
 &rst
  ixpk= 1470, nxpk= 25, iat= 791, 778, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   54 GLY  HN           52 GLU  HA          4.50    (#   1471:25  Unique         3.68, 3.99 A)
 &rst
  ixpk= 1471, nxpk= 25, iat= 807, 778, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   52 GLU  HN           52 GLU  HB+         3.50    (#   1472:25  Unique         2.12, 3.02 A)
 &rst
  ixpk= 1472, nxpk= 25, iat= 776,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 780, 781,
 &end
#
#   52 GLU  HN           52 GLU  HB-         2.80    (#   1473:25  Unique         2.12, 3.02 A)
 &rst
  ixpk= 1473, nxpk= 25, iat= 776,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 780, 781,
 &end
#
#   53 VAL  HN           52 GLU  HB-         4.50    (#   1474:25  Unique         2.89, 3.73 A)
 &rst
  ixpk= 1474, nxpk= 25, iat= 791,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 780, 781,
 &end
#
#   53 VAL  HN           52 GLU  HB+         4.50    (#   1475:25  Unique         2.89, 3.73 A)
 &rst
  ixpk= 1475, nxpk= 25, iat= 791,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 780, 781,
 &end
#
#   52 GLU  HA           52 GLU  HB-         2.80    (#   1476:25  Unique         2.34, 2.74 A)
 &rst
  ixpk= 1476, nxpk= 25, iat= 778,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 780, 781,
 &end
#
#   52 GLU  HA           52 GLU  HB+         2.80    (#   1477:25  Unique         2.34, 2.74 A)
 &rst
  ixpk= 1477, nxpk= 25, iat= 778,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 780, 781,
 &end
#
#   49 MET  HA           52 GLU  HB+         4.50    (#   1478:25  Unique         2.33, 3.80 A)
 &rst
  ixpk= 1478, nxpk= 25, iat= 729,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 780, 781,
 &end
#
#   52 GLU  HG+          52 GLU  HB+         2.80    (#   1479:25  Unique         2.20, 2.71 A)
 &rst
  ixpk= 1479, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 783, 784,
 igr2= 780, 781,
 &end
#
#   52 GLU  HA           52 GLU  HG+         3.50    (#   1481:25  Unique         2.47, 3.18 A)
 &rst
  ixpk= 1481, nxpk= 25, iat= 778,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 783, 784,
 &end
#
#   49 MET  HA           52 GLU  HG+         3.50    (#   1482:25  Unique         2.06, 3.26 A)
 &rst
  ixpk= 1482, nxpk= 25, iat= 729,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 783, 784,
 &end
#
#   52 GLU  HN           52 GLU  HG+         3.50    (#   1483:25  Unique         2.49, 3.01 A)
 &rst
  ixpk= 1483, nxpk= 25, iat= 776,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 783, 784,
 &end
#
#   88 PRO  HD+          87 PRO  HB+         2.80    (#   1484:25  Unique         2.25, 3.02 A)
 &rst
  ixpk= 1484, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1280,1281,
 igr2=1272,1273,
 &end
#
#   53 VAL  HN           53 VAL  HB          4.50    (#   1485:25  Unique         2.37, 3.44 A)
 &rst
  ixpk= 1485, nxpk= 25, iat= 791, 795, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   90 TRP  HD1          87 PRO  HB+         3.50    (#   1486:25  Unique         2.29, 4.05 A)
 &rst
  ixpk= 1486, nxpk= 25, iat=1316,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1272,1273,
 &end
#
#   21 PHE  HE           53 VAL  HB          5.50    (#   1487:25  Unique         3.10, 5.64 A)
 &rst
  ixpk= 1487, nxpk= 25, iat=  -1, 795, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 338, 342,
 &end
#
#   55 ILE  HN           53 VAL  MGX         3.50    (#   1488:25  Unique         3.01, 5.21 A)
 &rst
  ixpk= 1488, nxpk= 25, iat= 814,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 797, 798, 799, 801, 802, 803,
 &end
#
#   21 PHE  HE           53 VAL  MGX         3.50    (#   1489:25  Unique         2.34, 5.43 A)
 &rst
  ixpk= 1489, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 338, 342,
 igr2= 797, 798, 799, 801, 802, 803,
 &end
#
#    0 AMB  25-2:1490    53 VAL  MGX         4.50    (#   1490:25  Single Ambig)
 &rst
  ixpk= 1490, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 816, 778,
 igr2= 797, 798, 799, 801, 802, 803,
 &end
#
#  116 ARG  HD+          53 VAL  MGX         3.50    (#   1491:25  Unique         2.17, 4.45 A)
 &rst
  ixpk= 1491, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1742,1743,
 igr2= 797, 798, 799, 801, 802, 803,
 &end
#
#   52 GLU  HB-          53 VAL  MGX         4.50    (#   1492:25  Unique         2.65, 5.43 A)
 &rst
  ixpk= 1492, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 780, 781,
 igr2= 797, 798, 799, 801, 802, 803,
 &end
#
#    0 AMB  25-2:1493    53 VAL  MGX         4.50    (#   1493:25  Single Ambig)
 &rst
  ixpk= 1493, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 748, 749,1739,1740,
 igr2= 797, 798, 799, 801, 802, 803,
 &end
#
#   55 ILE  HG1-         53 VAL  MGX         3.50    (#   1494:25  Unique         2.46, 6.17 A)
 &rst
  ixpk= 1494, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 824, 825,
 igr2= 797, 798, 799, 801, 802, 803,
 &end
#
#   55 ILE  QD1          53 VAL  MGX         3.50    (#   1495:25  Unique         2.81, 6.07 A)
 &rst
  ixpk= 1495, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 827, 828, 829,
 igr2= 797, 798, 799, 801, 802, 803,
 &end
#
#   53 VAL  HN           53 VAL  MGY         4.50    (#   1496:25  Unique         2.19, 3.68 A)
 &rst
  ixpk= 1496, nxpk= 25, iat= 791,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 797, 798, 799, 801, 802, 803,
 &end
#
#   53 VAL  HN           54 GLY  HA-         5.50    (#   1498:25  Unique         4.12, 4.59 A)
 &rst
  ixpk= 1498, nxpk= 25, iat= 791,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 809, 810,
 &end
#
#   55 ILE  HN           55 ILE  HA          3.50    (#   1499:25  Unique         2.94, 2.95 A)
 &rst
  ixpk= 1499, nxpk= 25, iat= 814, 816, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:1500     0 AMB  25-1:1500   4.50    (#   1500:25  Double Ambig)
 &rst
  ixpk= 1500, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 837, 838,1662,1663,
 igr2= 816,1629,
 &end
#
#   56 ASP  HB-          55 ILE  HA          4.50    (#   1501:25  Unique         4.06, 4.40 A)
 &rst
  ixpk= 1501, nxpk= 25, iat=  -1, 816, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 837, 838,
 &end
#
#   55 ILE  HG1-         55 ILE  HA          2.80    (#   1502:25  Unique         2.15, 2.46 A)
 &rst
  ixpk= 1502, nxpk= 25, iat=  -1, 816, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 824, 825,
 &end
#
#   55 ILE  HB           55 ILE  HA          3.50    (#   1503:25  Unique         2.98, 3.00 A)
 &rst
  ixpk= 1503, nxpk= 25, iat= 818, 816, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   55 ILE  HG1+         55 ILE  HA          2.80    (#   1504:25  Unique         2.15, 2.46 A)
 &rst
  ixpk= 1504, nxpk= 25, iat=  -1, 816, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 824, 825,
 &end
#
#   55 ILE  QD1          55 ILE  HA          3.50    (#   1505:25  Unique         4.08, 4.39 A)
 &rst
  ixpk= 1505, nxpk= 25, iat=  -1, 816, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 827, 828, 829,
 &end
#
#   55 ILE  QD1          55 ILE  HB          3.50    (#   1506:25  Unique         2.43, 3.20 A)
 &rst
  ixpk= 1506, nxpk= 25, iat=  -1, 818, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 827, 828, 829,
 &end
#
#   17 MET  ME           55 ILE  HB          2.80    (#   1507:25  Unique         2.90, 3.92 A)
 &rst
  ixpk= 1507, nxpk= 25, iat=  -1, 818, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 290, 291, 292,
 &end
#
#   55 ILE  HG1+         55 ILE  HB          2.80    (#   1508:25  Unique         2.39, 2.75 A)
 &rst
  ixpk= 1508, nxpk= 25, iat=  -1, 818, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 824, 825,
 &end
#
#   55 ILE  HG1-         55 ILE  HB          2.80    (#   1509:25  Unique         2.39, 2.75 A)
 &rst
  ixpk= 1509, nxpk= 25, iat=  -1, 818, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 824, 825,
 &end
#
#   50 MET  HB-          55 ILE  HB          3.50    (#   1510:25  Unique         2.09, 3.03 A)
 &rst
  ixpk= 1510, nxpk= 25, iat=  -1, 818, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 748, 749,
 &end
#
#   50 MET  HB+          55 ILE  HB          4.50    (#   1511:25  Unique         2.09, 3.03 A)
 &rst
  ixpk= 1511, nxpk= 25, iat=  -1, 818, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 748, 749,
 &end
#
#   55 ILE  HA           55 ILE  HB          4.50    (#   1512:25  Unique         2.98, 3.00 A)
 &rst
  ixpk= 1512, nxpk= 25, iat= 816, 818, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   55 ILE  HN           55 ILE  HB          2.80    (#   1514:25  Unique         2.42, 2.60 A)
 &rst
  ixpk= 1514, nxpk= 25, iat= 814, 818, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   55 ILE  HN           55 ILE  HG1-        4.50    (#   1515:25  Unique         3.09, 3.76 A)
 &rst
  ixpk= 1515, nxpk= 25, iat= 814,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 824, 825,
 &end
#
#   55 ILE  HN           55 ILE  HG1+        5.50    (#   1516:25  Unique         3.09, 3.76 A)
 &rst
  ixpk= 1516, nxpk= 25, iat= 814,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 824, 825,
 &end
#
#   55 ILE  HA           55 ILE  HG1+        3.50    (#   1517:25  Unique         2.15, 2.46 A)
 &rst
  ixpk= 1517, nxpk= 25, iat= 816,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 824, 825,
 &end
#
#   55 ILE  HA           55 ILE  HG1-        3.50    (#   1518:25  Unique         2.15, 2.46 A)
 &rst
  ixpk= 1518, nxpk= 25, iat= 816,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 824, 825,
 &end
#
#    0 AMB  25-2:1519    55 ILE  HG1-        2.80    (#   1519:25  Single Ambig)
 &rst
  ixpk= 1519, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.35, r4= 5.10,
 igr1= 818, 797, 798, 799, 801, 802, 803,
 igr2= 824, 825,
 &end
#
#   55 ILE  QG2          55 ILE  HG1-        3.50    (#   1520:25  Unique         2.63, 3.64 A)
 &rst
  ixpk= 1520, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 820, 821, 822,
 igr2= 824, 825,
 &end
#
#   55 ILE  QG2          55 ILE  HG1+        3.50    (#   1521:25  Unique         2.63, 3.64 A)
 &rst
  ixpk= 1521, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 820, 821, 822,
 igr2= 824, 825,
 &end
#
#   55 ILE  QD1          55 ILE  HG1+        3.50    (#   1522:25  Unique         2.34, 2.63 A)
 &rst
  ixpk= 1522, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 827, 828, 829,
 igr2= 824, 825,
 &end
#
#   50 MET  HB-          55 ILE  QD1         4.50    (#   1523:25  Unique         4.07, 5.80 A)
 &rst
  ixpk= 1523, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 748, 749,
 igr2= 827, 828, 829,
 &end
#
#   50 MET  HG-          55 ILE  QD1         4.50    (#   1524:25  Unique         4.02, 6.36 A)
 &rst
  ixpk= 1524, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 751, 752,
 igr2= 827, 828, 829,
 &end
#
#    0 AMB  25-2:1525    55 ILE  QD1         4.50    (#   1525:25  Single Ambig)
 &rst
  ixpk= 1525, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 795,1809,1810,
 igr2= 827, 828, 829,
 &end
#
#   24 THR  HB           55 ILE  QD1         3.50    (#   1526:25  Unique         3.41, 4.21 A)
 &rst
  ixpk= 1526, nxpk= 25, iat= 384,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 827, 828, 829,
 &end
#
#   21 PHE  HA           55 ILE  QD1         3.50    (#   1527:25  Unique         2.90, 3.62 A)
 &rst
  ixpk= 1527, nxpk= 25, iat= 330,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 827, 828, 829,
 &end
#
#   21 PHE  HD           55 ILE  QD1         3.50    (#   1529:25  Unique         2.32, 4.48 A)
 &rst
  ixpk= 1529, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 336, 344,
 igr2= 827, 828, 829,
 &end
#
#   21 PHE  HE           55 ILE  QD1         4.50    (#   1530:25  Unique         2.36, 4.73 A)
 &rst
  ixpk= 1530, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 338, 342,
 igr2= 827, 828, 829,
 &end
#
#    0 AMB  25-2:1531    55 ILE  QD1         4.50    (#   1531:25  Single Ambig)
 &rst
  ixpk= 1531, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 814, 321,
 igr2= 827, 828, 829,
 &end
#
#    0 AMB  25-2:1532    55 ILE  QD1         5.50    (#   1532:25  Single Ambig)
 &rst
  ixpk= 1532, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 833, 358, 394,
 igr2= 827, 828, 829,
 &end
#
#   56 ASP  HN           56 ASP  HB+         3.50    (#   1534:25  Unique         2.15, 2.65 A)
 &rst
  ixpk= 1534, nxpk= 25, iat= 833,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 837, 838,
 &end
#
#   55 ILE  HA           56 ASP  HB+         4.50    (#   1536:25  Unique         4.06, 4.40 A)
 &rst
  ixpk= 1536, nxpk= 25, iat= 816,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 837, 838,
 &end
#
#   55 ILE  HA           56 ASP  HB-         4.50    (#   1537:25  Unique         4.06, 4.40 A)
 &rst
  ixpk= 1537, nxpk= 25, iat= 816,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 837, 838,
 &end
#
#    0 AMB  25-2:1538   103 ASP  HB-         3.50    (#   1538:25  Single Ambig)
 &rst
  ixpk= 1538, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1548,1549,1522,
 igr2=1539,1540,
 &end
#
#   95 ILE  HG1-         95 ILE  HA          3.50    (#   1540:25  Unique         2.44, 2.82 A)
 &rst
  ixpk= 1540, nxpk= 25, iat=  -1,1396, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1404,1405,
 &end
#
#   95 ILE  HB           95 ILE  HA          3.50    (#   1541:25  Unique         3.01, 3.03 A)
 &rst
  ixpk= 1541, nxpk= 25, iat=1398,1396, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   60 GLN  HB+          57 ILE  HA          3.50    (#   1542:25  Unique         3.56, 4.34 A)
 &rst
  ixpk= 1542, nxpk= 25, iat=  -1, 847, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 886, 887,
 &end
#
#   60 GLN  HN           57 ILE  HA          5.50    (#   1543:25  Unique         3.46, 4.30 A)
 &rst
  ixpk= 1543, nxpk= 25, iat= 882, 847, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   57 ILE  HN           57 ILE  HA          3.50    (#   1544:25  Unique         2.18, 2.89 A)
 &rst
  ixpk= 1544, nxpk= 25, iat= 845, 847, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   60 GLN  HE2+         57 ILE  HB          4.50    (#   1545:25  Unique         2.55, 3.51 A)
 &rst
  ixpk= 1545, nxpk= 25, iat=  -1, 849, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 894, 895,
 &end
#
#   57 ILE  HA           57 ILE  HB          2.80    (#   1548:25  Unique         2.29, 2.44 A)
 &rst
  ixpk= 1548, nxpk= 25, iat= 847, 849, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   57 ILE  HG1-         57 ILE  HB          3.50    (#   1550:25  Unique         2.46, 2.77 A)
 &rst
  ixpk= 1550, nxpk= 25, iat=  -1, 849, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 855, 856,
 &end
#
#   57 ILE  QD1          57 ILE  HB          2.80    (#   1551:25  Unique         2.37, 3.11 A)
 &rst
  ixpk= 1551, nxpk= 25, iat=  -1, 849, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 858, 859, 860,
 &end
#
#   47 ILE  HA           57 ILE  HG1-        3.50    (#   1557:25  Unique         2.79, 3.13 A)
 &rst
  ixpk= 1557, nxpk= 25, iat= 700,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 855, 856,
 &end
#
#   47 ILE  HA           57 ILE  HG1+        3.50    (#   1558:25  Unique         2.79, 3.13 A)
 &rst
  ixpk= 1558, nxpk= 25, iat= 700,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 855, 856,
 &end
#
#   57 ILE  HN           57 ILE  HG1-        5.50    (#   1560:25  Unique         2.28, 2.82 A)
 &rst
  ixpk= 1560, nxpk= 25, iat= 845,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 855, 856,
 &end
#
#   47 ILE  HN           57 ILE  QD1         4.50    (#   1562:25  Unique         3.83, 5.13 A)
 &rst
  ixpk= 1562, nxpk= 25, iat= 698,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 858, 859, 860,
 &end
#
#   57 ILE  HA           57 ILE  QD1         4.50    (#   1564:25  Unique         4.71, 5.09 A)
 &rst
  ixpk= 1564, nxpk= 25, iat= 847,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 858, 859, 860,
 &end
#
#   17 MET  HA           57 ILE  QD1         4.50    (#   1565:25  Unique         2.24, 3.50 A)
 &rst
  ixpk= 1565, nxpk= 25, iat= 281,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 858, 859, 860,
 &end
#
#   47 ILE  HA           57 ILE  QD1         3.50    (#   1566:25  Unique         3.40, 4.56 A)
 &rst
  ixpk= 1566, nxpk= 25, iat= 700,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 858, 859, 860,
 &end
#
#   50 MET  HG+          57 ILE  QD1         4.50    (#   1567:25  Unique         2.09, 3.06 A)
 &rst
  ixpk= 1567, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 751, 752,
 igr2= 858, 859, 860,
 &end
#
#   16 GLN  HB-          57 ILE  QD1         4.50    (#   1568:25  Unique         3.09, 5.25 A)
 &rst
  ixpk= 1568, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 266, 267,
 igr2= 858, 859, 860,
 &end
#
#   46 ALA  MB           57 ILE  QD1         2.80    (#   1569:25  Unique         2.10, 3.51 A)
 &rst
  ixpk= 1569, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 692, 693, 694,
 igr2= 858, 859, 860,
 &end
#
#   57 ILE  HG1-         57 ILE  QD1         2.80    (#   1570:25  Unique         2.34, 2.64 A)
 &rst
  ixpk= 1570, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 855, 856,
 igr2= 858, 859, 860,
 &end
#
#   86 LEU  HB-          91 VAL  MGX         5.50    (#   1571:25  Unique         3.13, 5.87 A)
 &rst
  ixpk= 1571, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1250,1251,
 igr2=1338,1339,1340,1342,1343,1344,
 &end
#
#   50 MET  HB-          57 ILE  QG2         3.50    (#   1572:25  Unique         3.20, 4.80 A)
 &rst
  ixpk= 1572, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 748, 749,
 igr2= 851, 852, 853,
 &end
#
#   50 MET  HG+          57 ILE  QG2         4.50    (#   1573:25  Unique         2.48, 4.34 A)
 &rst
  ixpk= 1573, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 751, 752,
 igr2= 851, 852, 853,
 &end
#
#   56 ASP  HB+          57 ILE  QG2         5.50    (#   1574:25  Unique         4.85, 6.50 A)
 &rst
  ixpk= 1574, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 837, 838,
 igr2= 851, 852, 853,
 &end
#
#   20 GLY  HA+          57 ILE  QG2         3.50    (#   1575:25  Unique         2.56, 3.38 A)
 &rst
  ixpk= 1575, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 323, 324,
 igr2= 851, 852, 853,
 &end
#
#   47 ILE  HA           57 ILE  QG2         5.50    (#   1576:25  Unique         5.10, 6.14 A)
 &rst
  ixpk= 1576, nxpk= 25, iat= 700,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 851, 852, 853,
 &end
#
#   20 GLY  HA-          57 ILE  QG2         3.50    (#   1577:25  Unique         2.56, 3.38 A)
 &rst
  ixpk= 1577, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 323, 324,
 igr2= 851, 852, 853,
 &end
#
#   57 ILE  HA           57 ILE  QG2         2.80    (#   1578:25  Unique         2.26, 3.05 A)
 &rst
  ixpk= 1578, nxpk= 25, iat= 847,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 851, 852, 853,
 &end
#
#   60 GLN  HE2-         57 ILE  QG2         4.50    (#   1580:25  Unique         2.51, 4.28 A)
 &rst
  ixpk= 1580, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 894, 895,
 igr2= 851, 852, 853,
 &end
#
#   20 GLY  HN           57 ILE  QG2         3.50    (#   1581:25  Unique         2.70, 3.74 A)
 &rst
  ixpk= 1581, nxpk= 25, iat= 321,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 851, 852, 853,
 &end
#
#   60 GLN  HE2+         57 ILE  QG2         5.50    (#   1582:25  Unique         2.51, 4.28 A)
 &rst
  ixpk= 1582, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 894, 895,
 igr2= 851, 852, 853,
 &end
#
#   57 ILE  HN           57 ILE  QG2         4.50    (#   1583:25  Unique         2.54, 3.99 A)
 &rst
  ixpk= 1583, nxpk= 25, iat= 845,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 851, 852, 853,
 &end
#
#   59 GLY  HN           59 GLY  HA+         3.50    (#   1585:25  Unique         2.25, 2.58 A)
 &rst
  ixpk= 1585, nxpk= 25, iat= 875,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 877, 878,
 &end
#
#   59 GLY  HN           59 GLY  HA-         3.50    (#   1586:25  Unique         2.25, 2.58 A)
 &rst
  ixpk= 1586, nxpk= 25, iat= 875,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 877, 878,
 &end
#
#   60 GLN  HN           59 GLY  HA+         4.50    (#   1587:25  Unique         2.89, 3.35 A)
 &rst
  ixpk= 1587, nxpk= 25, iat= 882,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 877, 878,
 &end
#
#   60 GLN  HN           59 GLY  HA-         4.50    (#   1588:25  Unique         2.89, 3.35 A)
 &rst
  ixpk= 1588, nxpk= 25, iat= 882,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 877, 878,
 &end
#
#  126 LEU  HN          125 ASN  HA          3.50    (#   1592:25  Unique         3.58, 3.59 A)
 &rst
  ixpk= 1592, nxpk= 25, iat=1902,1890, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   61 THR  HN           60 GLN  HB+         3.50    (#   1593:25  Unique         1.94, 3.23 A)
 &rst
  ixpk= 1593, nxpk= 25, iat= 899,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 886, 887,
 &end
#
#   60 GLN  HE2+         60 GLN  HB+         5.50    (#   1594:25  Unique         1.92, 3.51 A)
 &rst
  ixpk= 1594, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 894, 895,
 igr2= 886, 887,
 &end
#
#   60 GLN  HN           60 GLN  HB+         4.50    (#   1595:25  Unique         2.06, 3.05 A)
 &rst
  ixpk= 1595, nxpk= 25, iat= 882,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 886, 887,
 &end
#
#   60 GLN  HN           60 GLN  HB-         5.50    (#   1596:25  Unique         2.06, 3.05 A)
 &rst
  ixpk= 1596, nxpk= 25, iat= 882,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 886, 887,
 &end
#
#   60 GLN  HA           60 GLN  HG+         3.50    (#   1598:25  Unique         2.33, 3.07 A)
 &rst
  ixpk= 1598, nxpk= 25, iat= 884,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 889, 890,
 &end
#
#   60 GLN  HN           60 GLN  HG+         4.50    (#   1599:25  Unique         2.24, 3.33 A)
 &rst
  ixpk= 1599, nxpk= 25, iat= 882,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 889, 890,
 &end
#
#   61 THR  HN           61 THR  HA          3.50    (#   1600:25  Unique         2.17, 2.73 A)
 &rst
  ixpk= 1600, nxpk= 25, iat= 899, 901, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   37 LEU  MDX          61 THR  HA          3.50    (#   1601:25  Unique         2.20, 5.19 A)
 &rst
  ixpk= 1601, nxpk= 25, iat=  -1, 901, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 556, 557, 558, 560, 561, 562,
 &end
#
#   55 ILE  QD1          24 THR  HB          3.50    (#   1602:25  Unique         3.41, 4.21 A)
 &rst
  ixpk= 1602, nxpk= 25, iat=  -1, 384, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 827, 828, 829,
 &end
#
#   37 LEU  MDY          61 THR  HB          5.50    (#   1603:25  Unique         2.04, 4.36 A)
 &rst
  ixpk= 1603, nxpk= 25, iat=  -1, 903, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 556, 557, 558, 560, 561, 562,
 &end
#
#   24 THR  HN           24 THR  HB          3.50    (#   1608:25  Unique         2.01, 2.05 A)
 &rst
  ixpk= 1608, nxpk= 25, iat= 380, 384, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   62 SER  HN           61 THR  MG2         4.50    (#   1609:25  Unique         2.50, 4.05 A)
 &rst
  ixpk= 1609, nxpk= 25, iat= 913,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 905, 906, 907,
 &end
#
#  115 VAL  HN          114 THR  MG2         4.50    (#   1610:25  Unique         3.75, 4.46 A)
 &rst
  ixpk= 1610, nxpk= 25, iat=1716,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1708,1709,1710,
 &end
#
#   61 THR  HN           61 THR  MG2         3.50    (#   1611:25  Unique         2.03, 3.81 A)
 &rst
  ixpk= 1611, nxpk= 25, iat= 899,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 905, 906, 907,
 &end
#
#  118 GLN  HE2-        114 THR  MG2         3.50    (#   1612:25  Unique         2.23, 3.81 A)
 &rst
  ixpk= 1612, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1775,1776,
 igr2=1708,1709,1710,
 &end
#
#   62 SER  HB-          62 SER  HA          3.50    (#   1616:25  Unique         2.27, 2.65 A)
 &rst
  ixpk= 1616, nxpk= 25, iat=  -1, 915, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 917, 918,
 &end
#
#   63 ASP  HN           62 SER  HA          3.50    (#   1617:25  Unique         2.19, 2.96 A)
 &rst
  ixpk= 1617, nxpk= 25, iat= 924, 915, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   37 LEU  MDX          62 SER  HB-         5.50    (#   1618:25  Unique         2.20, 6.18 A)
 &rst
  ixpk= 1618, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 556, 557, 558, 560, 561, 562,
 igr2= 917, 918,
 &end
#
#   41 ARG  HA           62 SER  HB-         5.50    (#   1621:25  Unique         2.82, 5.00 A)
 &rst
  ixpk= 1621, nxpk= 25, iat= 605,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 917, 918,
 &end
#
#   62 SER  HA           62 SER  HB-         5.50    (#   1622:25  Unique         2.27, 2.65 A)
 &rst
  ixpk= 1622, nxpk= 25, iat= 915,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 917, 918,
 &end
#
#   62 SER  HN           62 SER  HB-         5.50    (#   1623:25  Unique         2.21, 3.51 A)
 &rst
  ixpk= 1623, nxpk= 25, iat= 913,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 917, 918,
 &end
#
#    0 AMB  25-2:1624    85 ASN  HA          4.50    (#   1624:25  Single Ambig)
 &rst
  ixpk= 1624, nxpk= 25, iat=  -1,1234, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=1255,1256,1257,1259,1260,1261,1222,1223,1224,1226,
      1227,1228,1222,1223,1224,1226,1227,1228,
 &end
#
#   86 LEU  HB+          85 ASN  HA          5.50    (#   1625:25  Unique         4.45, 5.23 A)
 &rst
  ixpk= 1625, nxpk= 25, iat=  -1,1234, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1250,1251,
 &end
#
#   85 ASN  HN           85 ASN  HA          3.50    (#   1627:25  Unique         2.30, 2.91 A)
 &rst
  ixpk= 1627, nxpk= 25, iat=1232,1234, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   86 LEU  HN           85 ASN  HB+         4.50    (#   1628:25  Unique         4.01, 4.42 A)
 &rst
  ixpk= 1628, nxpk= 25, iat=1246,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1236,1237,
 &end
#
#   56 ASP  HN           56 ASP  HB-         3.50    (#   1629:25  Unique         2.15, 2.65 A)
 &rst
  ixpk= 1629, nxpk= 25, iat= 833,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 837, 838,
 &end
#
#   85 ASN  HN           85 ASN  HB+         4.50    (#   1630:25  Unique         2.17, 2.67 A)
 &rst
  ixpk= 1630, nxpk= 25, iat=1232,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1236,1237,
 &end
#
#   85 ASN  HN           85 ASN  HB-         3.50    (#   1631:25  Unique         2.17, 2.67 A)
 &rst
  ixpk= 1631, nxpk= 25, iat=1232,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1236,1237,
 &end
#
#   66 GLU  HN           64 PRO  HB+         3.50    (#   1636:25  Unique         2.61, 3.51 A)
 &rst
  ixpk= 1636, nxpk= 25, iat= 969,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 943, 944,
 &end
#
#  116 ARG  HA          119 VAL  HB          2.80    (#   1638:25  Unique         2.55, 2.72 A)
 &rst
  ixpk= 1638, nxpk= 25, iat=1734,1784, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   65 ILE  QD1          65 ILE  HA          4.50    (#   1639:25  Unique         4.29, 4.65 A)
 &rst
  ixpk= 1639, nxpk= 25, iat=  -1, 952, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 963, 964, 965,
 &end
#
#   68 PHE  HD           65 ILE  HA          3.50    (#   1640:25  Unique         2.40, 4.54 A)
 &rst
  ixpk= 1640, nxpk= 25, iat=  -1, 952, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1006,1014,
 &end
#
#   67 ASN  HN           65 ILE  HA          4.50    (#   1641:25  Unique         3.76, 3.90 A)
 &rst
  ixpk= 1641, nxpk= 25, iat= 984, 952, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  108 SER  HN          108 SER  HB-         3.50    (#   1642:25  Unique         2.45, 3.09 A)
 &rst
  ixpk= 1642, nxpk= 25, iat=1597,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1601,1602,
 &end
#
#   65 ILE  HN           65 ILE  HB          2.80    (#   1645:25  Unique         2.35, 2.47 A)
 &rst
  ixpk= 1645, nxpk= 25, iat= 950, 954, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   65 ILE  HA           65 ILE  HB          2.80    (#   1647:25  Unique         2.39, 2.45 A)
 &rst
  ixpk= 1647, nxpk= 25, iat= 952, 954, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   35 CYS  HB-          65 ILE  HB          4.50    (#   1648:25  Unique         4.16, 5.18 A)
 &rst
  ixpk= 1648, nxpk= 25, iat=  -1, 954, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 533, 534,
 &end
#
#   65 ILE  HG1-         65 ILE  HB          2.80    (#   1649:25  Unique         2.36, 2.73 A)
 &rst
  ixpk= 1649, nxpk= 25, iat=  -1, 954, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 960, 961,
 &end
#
#   65 ILE  QD1          65 ILE  HG1+        3.50    (#   1650:25  Unique         2.34, 2.65 A)
 &rst
  ixpk= 1650, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 963, 964, 965,
 igr2= 960, 961,
 &end
#
#   65 ILE  QD1          65 ILE  HG1-        3.50    (#   1651:25  Unique         2.34, 2.65 A)
 &rst
  ixpk= 1651, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 963, 964, 965,
 igr2= 960, 961,
 &end
#
#   65 ILE  HB           65 ILE  HG1-        3.50    (#   1652:25  Unique         2.36, 2.73 A)
 &rst
  ixpk= 1652, nxpk= 25, iat= 954,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 960, 961,
 &end
#
#   65 ILE  HB           65 ILE  HG1+        2.80    (#   1653:25  Unique         2.36, 2.73 A)
 &rst
  ixpk= 1653, nxpk= 25, iat= 954,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 960, 961,
 &end
#
#   65 ILE  HA           65 ILE  HG1+        3.50    (#   1654:25  Unique         2.40, 2.76 A)
 &rst
  ixpk= 1654, nxpk= 25, iat= 952,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 960, 961,
 &end
#
#   65 ILE  HA           65 ILE  HG1-        3.50    (#   1655:25  Unique         2.40, 2.76 A)
 &rst
  ixpk= 1655, nxpk= 25, iat= 952,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 960, 961,
 &end
#
#   90 TRP  HZ2          65 ILE  HG1+        5.50    (#   1656:25  Unique         2.41, 2.73 A)
 &rst
  ixpk= 1656, nxpk= 25, iat=1321,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 960, 961,
 &end
#
#   90 TRP  HZ2          65 ILE  HG1-        5.50    (#   1657:25  Unique         2.41, 2.73 A)
 &rst
  ixpk= 1657, nxpk= 25, iat=1321,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 960, 961,
 &end
#
#   90 TRP  HE1          65 ILE  HG1+        4.50    (#   1658:25  Unique         3.61, 4.19 A)
 &rst
  ixpk= 1658, nxpk= 25, iat=1318,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 960, 961,
 &end
#
#   90 TRP  HE1          65 ILE  HG1-        4.50    (#   1659:25  Unique         3.61, 4.19 A)
 &rst
  ixpk= 1659, nxpk= 25, iat=1318,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 960, 961,
 &end
#
#   90 TRP  HE1          65 ILE  QD1         4.50    (#   1660:25  Unique         3.95, 5.03 A)
 &rst
  ixpk= 1660, nxpk= 25, iat=1318,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 963, 964, 965,
 &end
#
#   65 ILE  HA           65 ILE  QD1         4.50    (#   1661:25  Unique         4.29, 4.65 A)
 &rst
  ixpk= 1661, nxpk= 25, iat= 952,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 963, 964, 965,
 &end
#
#   87 PRO  HD+          65 ILE  QD1         4.50    (#   1662:25  Unique         3.60, 4.99 A)
 &rst
  ixpk= 1662, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1266,1267,
 igr2= 963, 964, 965,
 &end
#
#    0 AMB  25-2:1663    65 ILE  QD1         3.50    (#   1663:25  Single Ambig)
 &rst
  ixpk= 1663, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1266,1267,1312,1313,
 igr2= 963, 964, 965,
 &end
#
#    0 AMB  25-2:1664    65 ILE  QD1         5.50    (#   1664:25  Single Ambig)
 &rst
  ixpk= 1664, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1312,1313,1002,1003,
 igr2= 963, 964, 965,
 &end
#
#    0 AMB  25-2:1665    65 ILE  QD1         4.50    (#   1665:25  Single Ambig)
 &rst
  ixpk= 1665, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1269,1270, 533, 534,
 igr2= 963, 964, 965,
 &end
#
#    0 AMB  25-2:1666    65 ILE  QD1         4.50    (#   1666:25  Single Ambig)
 &rst
  ixpk= 1666, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 122,1253,
 igr2= 963, 964, 965,
 &end
#
#   65 ILE  HB           65 ILE  QD1         3.50    (#   1667:25  Unique         2.46, 3.23 A)
 &rst
  ixpk= 1667, nxpk= 25, iat= 954,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 963, 964, 965,
 &end
#
#    0 AMB  25-2:1668    65 ILE  QD1         2.80    (#   1668:25  Single Ambig)
 &rst
  ixpk= 1668, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.22, r4= 5.97,
 igr1=1255,1256,1257,1259,1260,1261, 960, 961,1222,1223,
      1224,1226,1227,1228,
 igr2= 963, 964, 965,
 &end
#
#    7 VAL  MGY          65 ILE  QD1         3.50    (#   1669:25  Unique         2.19, 4.43 A)
 &rst
  ixpk= 1669, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 124, 125, 126, 128, 129, 130,
 igr2= 963, 964, 965,
 &end
#
#   66 GLU  HB+          65 ILE  QG2         3.50    (#   1671:25  Unique         3.07, 5.16 A)
 &rst
  ixpk= 1671, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 973, 974,
 igr2= 956, 957, 958,
 &end
#
#   66 GLU  HG+          65 ILE  QG2         3.50    (#   1672:25  Unique         2.36, 3.81 A)
 &rst
  ixpk= 1672, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 976, 977,
 igr2= 956, 957, 958,
 &end
#
#   66 GLU  HA           65 ILE  QG2         4.50    (#   1673:25  Unique         3.08, 4.37 A)
 &rst
  ixpk= 1673, nxpk= 25, iat= 971,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 956, 957, 958,
 &end
#
#   66 GLU  HN           65 ILE  QG2         3.50    (#   1675:25  Unique         2.44, 3.03 A)
 &rst
  ixpk= 1675, nxpk= 25, iat= 969,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 956, 957, 958,
 &end
#
#   65 ILE  HN           65 ILE  QG2         3.50    (#   1676:25  Unique         1.96, 3.02 A)
 &rst
  ixpk= 1676, nxpk= 25, iat= 950,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 956, 957, 958,
 &end
#
#   68 PHE  HN           66 GLU  HA          4.50    (#   1677:25  Unique         3.69, 3.79 A)
 &rst
  ixpk= 1677, nxpk= 25, iat= 998, 971, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   67 ASN  HN           66 GLU  HA          3.50    (#   1678:25  Unique         3.33, 3.46 A)
 &rst
  ixpk= 1678, nxpk= 25, iat= 984, 971, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   65 ILE  QG2          66 GLU  HA          3.50    (#   1679:25  Unique         3.08, 4.37 A)
 &rst
  ixpk= 1679, nxpk= 25, iat=  -1, 971, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 956, 957, 958,
 &end
#
#   67 ASN  HN           66 GLU  HB+         4.50    (#   1680:25  Unique         3.19, 3.71 A)
 &rst
  ixpk= 1680, nxpk= 25, iat= 984,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 973, 974,
 &end
#
#   66 GLU  HN           66 GLU  HG+         3.50    (#   1681:25  Unique         1.99, 2.99 A)
 &rst
  ixpk= 1681, nxpk= 25, iat= 969,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 976, 977,
 &end
#
#   66 GLU  HA           66 GLU  HG+         3.50    (#   1682:25  Unique         2.36, 2.79 A)
 &rst
  ixpk= 1682, nxpk= 25, iat= 971,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 976, 977,
 &end
#
#   66 GLU  HA           66 GLU  HG+         3.50    (#   1683:25  Unique         2.36, 2.79 A)
 &rst
  ixpk= 1683, nxpk= 25, iat= 971,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 976, 977,
 &end
#
#   65 ILE  QG2          66 GLU  HG+         3.50    (#   1684:25  Unique         2.36, 3.81 A)
 &rst
  ixpk= 1684, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 956, 957, 958,
 igr2= 976, 977,
 &end
#
#   67 ASN  HN           67 ASN  HA          2.80    (#   1685:25  Unique         2.93, 2.95 A)
 &rst
  ixpk= 1685, nxpk= 25, iat= 984, 986, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   68 PHE  HN           67 ASN  HA          3.50    (#   1686:25  Unique         3.30, 3.42 A)
 &rst
  ixpk= 1686, nxpk= 25, iat= 998, 986, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   67 ASN  HN           67 ASN  HB+         2.80    (#   1687:25  Unique         2.29, 3.04 A)
 &rst
  ixpk= 1687, nxpk= 25, iat= 984,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 988, 989,
 &end
#
#   68 PHE  HD           67 ASN  HB+         4.50    (#   1688:25  Unique         2.57, 6.22 A)
 &rst
  ixpk= 1688, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1006,1014,
 igr2= 988, 989,
 &end
#
#   67 ASN  HD2-         67 ASN  HB+         3.50    (#   1689:25  Unique         2.31, 3.45 A)
 &rst
  ixpk= 1689, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 993, 994,
 igr2= 988, 989,
 &end
#
#   67 ASN  HA           67 ASN  HB+         2.80    (#   1690:25  Unique         2.18, 2.50 A)
 &rst
  ixpk= 1690, nxpk= 25, iat= 986,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 988, 989,
 &end
#
#   69 ASN  HN           68 PHE  HB+         3.50    (#   1691:25  Unique         2.19, 3.02 A)
 &rst
  ixpk= 1691, nxpk= 25, iat=1018,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1002,1003,
 &end
#
#   69 ASN  HN           68 PHE  HB-         4.50    (#   1692:25  Unique         2.19, 3.02 A)
 &rst
  ixpk= 1692, nxpk= 25, iat=1018,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1002,1003,
 &end
#
#   69 ASN  HN           68 PHE  HB-         5.50    (#   1693:25  Unique         2.19, 3.02 A)
 &rst
  ixpk= 1693, nxpk= 25, iat=1018,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1002,1003,
 &end
#
#   68 PHE  HN           68 PHE  HB+         4.50    (#   1694:25  Unique         2.31, 2.98 A)
 &rst
  ixpk= 1694, nxpk= 25, iat= 998,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1002,1003,
 &end
#
#   68 PHE  HN           68 PHE  HB-         3.50    (#   1695:25  Unique         2.31, 2.98 A)
 &rst
  ixpk= 1695, nxpk= 25, iat= 998,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1002,1003,
 &end
#
#    0 AMB  25-2:1696     0 AMB  25-1:1696   2.80    (#   1696:25  Double Ambig)
 &rst
  ixpk= 1696, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1321,1006,1014,
 igr2=1002,1003,1002,1003,
 &end
#
#    0 AMB  25-2:1697    68 PHE  HB-         2.80    (#   1697:25  Single Ambig)
 &rst
  ixpk= 1697, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1321,1006,1014,
 igr2=1002,1003,
 &end
#
#    0 AMB  25-2:1698     0 AMB  25-1:1698   5.50    (#   1698:25  Double Ambig)
 &rst
  ixpk= 1698, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1074,1083,1316,
 igr2=1002,1003,1002,1003,
 &end
#
#   90 TRP  HH2          68 PHE  HB+         3.50    (#   1699:25  Unique         2.82, 3.54 A)
 &rst
  ixpk= 1699, nxpk= 25, iat=1323,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1002,1003,
 &end
#
#   90 TRP  HH2          68 PHE  HB-         4.50    (#   1700:25  Unique         2.82, 3.54 A)
 &rst
  ixpk= 1700, nxpk= 25, iat=1323,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1002,1003,
 &end
#
#   68 PHE  HA           68 PHE  HB+         3.50    (#   1701:25  Unique         2.51, 2.81 A)
 &rst
  ixpk= 1701, nxpk= 25, iat=1000,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1002,1003,
 &end
#
#    5 MET  ME           68 PHE  HB+         4.50    (#   1702:25  Unique         2.35, 4.36 A)
 &rst
  ixpk= 1702, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=  92,  93,  94,
 igr2=1002,1003,
 &end
#
#    5 MET  ME           68 PHE  HB-         4.50    (#   1703:25  Unique         2.35, 4.36 A)
 &rst
  ixpk= 1703, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=  92,  93,  94,
 igr2=1002,1003,
 &end
#
#   70 ALA  MB           69 ASN  HA          4.50    (#   1704:25  Unique         4.32, 5.01 A)
 &rst
  ixpk= 1704, nxpk= 25, iat=  -1,1020, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1036,1037,1038,
 &end
#
#   71 ASP  HN           69 ASN  HA          3.50    (#   1707:25  Unique         3.36, 3.48 A)
 &rst
  ixpk= 1707, nxpk= 25, iat=1042,1020, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:1708    69 ASN  HA          4.50    (#   1708:25  Single Ambig)
 &rst
  ixpk= 1708, nxpk= 25, iat=  -1,1020, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1054,1066,
 &end
#
#   69 ASN  HN           69 ASN  HA          3.50    (#   1709:25  Unique         2.94, 2.97 A)
 &rst
  ixpk= 1709, nxpk= 25, iat=1018,1020, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   69 ASN  HN           69 ASN  HB+         3.50    (#   1710:25  Unique         2.45, 3.36 A)
 &rst
  ixpk= 1710, nxpk= 25, iat=1018,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1022,1023,
 &end
#
#   69 ASN  HN           69 ASN  HB-         3.50    (#   1711:25  Unique         2.45, 3.36 A)
 &rst
  ixpk= 1711, nxpk= 25, iat=1018,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1022,1023,
 &end
#
#   70 ALA  HN           69 ASN  HB-         4.50    (#   1712:25  Unique         4.15, 4.47 A)
 &rst
  ixpk= 1712, nxpk= 25, iat=1032,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1022,1023,
 &end
#
#   70 ALA  HN           69 ASN  HB+         4.50    (#   1713:25  Unique         4.15, 4.47 A)
 &rst
  ixpk= 1713, nxpk= 25, iat=1032,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1022,1023,
 &end
#
#   72 ASP  HN           69 ASN  HB+         4.50    (#   1714:25  Unique         3.32, 4.29 A)
 &rst
  ixpk= 1714, nxpk= 25, iat=1054,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1022,1023,
 &end
#
#   69 ASN  HD2+         69 ASN  HB+         3.50    (#   1715:25  Unique         2.13, 3.43 A)
 &rst
  ixpk= 1715, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1027,1028,
 igr2=1022,1023,
 &end
#
#    0 AMB  25-2:1716     0 AMB  25-1:1716   4.50    (#   1716:25  Double Ambig)
 &rst
  ixpk= 1716, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1042,1006,1014,
 igr2=1022,1023,1022,1023,
 &end
#
#   69 ASN  HD2+         69 ASN  HB-         3.50    (#   1717:25  Unique         2.13, 3.43 A)
 &rst
  ixpk= 1717, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1027,1028,
 igr2=1022,1023,
 &end
#
#    0 AMB  25-2:1718    69 ASN  HB-         5.50    (#   1718:25  Single Ambig)
 &rst
  ixpk= 1718, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1042,1006,1014,
 igr2=1022,1023,
 &end
#
#   69 ASN  HD2-         73 TYR  HB-         5.50    (#   1719:25  Unique         6.32, 7.51 A)
 &rst
  ixpk= 1719, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1027,1028,
 igr2=1070,1071,
 &end
#
#   69 ASN  HA           69 ASN  HB+         3.50    (#   1720:25  Unique         2.30, 2.56 A)
 &rst
  ixpk= 1720, nxpk= 25, iat=1020,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1022,1023,
 &end
#
#   73 TYR  HB-          70 ALA  HA          4.50    (#   1721:25  Unique         3.32, 4.19 A)
 &rst
  ixpk= 1721, nxpk= 25, iat=  -1,1034, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1070,1071,
 &end
#
#   73 TYR  HB+          70 ALA  HA          4.50    (#   1722:25  Unique         3.32, 4.19 A)
 &rst
  ixpk= 1722, nxpk= 25, iat=  -1,1034, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1070,1071,
 &end
#
#    0 AMB  25-2:1723    70 ALA  HA          4.50    (#   1723:25  Single Ambig)
 &rst
  ixpk= 1723, nxpk= 25, iat=  -1,1034, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1310,1068,
 &end
#
#   69 ASN  HA           70 ALA  HA          4.50    (#   1724:25  Unique         4.50, 4.52 A)
 &rst
  ixpk= 1724, nxpk= 25, iat=1020,1034, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   90 TRP  HZ3          70 ALA  HA          5.50    (#   1725:25  Unique         4.74, 4.91 A)
 &rst
  ixpk= 1725, nxpk= 25, iat=1325,1034, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   90 TRP  HH2          70 ALA  HA          5.50    (#   1726:25  Unique         4.53, 4.68 A)
 &rst
  ixpk= 1726, nxpk= 25, iat=1323,1034, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   73 TYR  HD           70 ALA  HA          3.50    (#   1727:25  Unique         2.19, 3.89 A)
 &rst
  ixpk= 1727, nxpk= 25, iat=  -1,1034, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1074,1083,
 &end
#
#    0 AMB  25-2:1728    70 ALA  HA          3.50    (#   1728:25  Single Ambig)
 &rst
  ixpk= 1728, nxpk= 25, iat=  -1,1034, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1042,1321,
 &end
#
#   73 TYR  HN           70 ALA  HA          3.50    (#   1729:25  Unique         3.51, 3.55 A)
 &rst
  ixpk= 1729, nxpk= 25, iat=1066,1034, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   70 ALA  HN           70 ALA  HA          3.50    (#   1730:25  Unique         2.74, 2.76 A)
 &rst
  ixpk= 1730, nxpk= 25, iat=1032,1034, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   90 TRP  HE3          70 ALA  MB          5.50    (#   1731:25  Unique         3.04, 3.67 A)
 &rst
  ixpk= 1731, nxpk= 25, iat=1327,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1036,1037,1038,
 &end
#
#    0 AMB  25-2:1732    70 ALA  MB          3.50    (#   1732:25  Single Ambig)
 &rst
  ixpk= 1732, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1042,1321,
 igr2=1036,1037,1038,
 &end
#
#   93 GLN  HE2+         70 ALA  MB          3.50    (#   1733:25  Unique         2.89, 4.14 A)
 &rst
  ixpk= 1733, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1374,1375,
 igr2=1036,1037,1038,
 &end
#
#    0 AMB  25-2:1734    70 ALA  MB          4.50    (#   1734:25  Single Ambig)
 &rst
  ixpk= 1734, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1316,1074,1083,1332,
 igr2=1036,1037,1038,
 &end
#
#   93 GLN  HE2-         70 ALA  MB          4.50    (#   1735:25  Unique         2.89, 4.14 A)
 &rst
  ixpk= 1735, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1374,1375,
 igr2=1036,1037,1038,
 &end
#
#   69 ASN  HA           70 ALA  MB          4.50    (#   1736:25  Unique         4.32, 5.01 A)
 &rst
  ixpk= 1736, nxpk= 25, iat=1020,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1036,1037,1038,
 &end
#
#   89 GLU  HA           70 ALA  MB          5.50    (#   1737:25  Unique         4.02, 5.12 A)
 &rst
  ixpk= 1737, nxpk= 25, iat=1295,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1036,1037,1038,
 &end
#
#   90 TRP  HB+          70 ALA  MB          5.50    (#   1738:25  Unique         3.95, 4.62 A)
 &rst
  ixpk= 1738, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1312,1313,
 igr2=1036,1037,1038,
 &end
#
#   90 TRP  HB-          70 ALA  MB          5.50    (#   1739:25  Unique         3.95, 4.62 A)
 &rst
  ixpk= 1739, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1312,1313,
 igr2=1036,1037,1038,
 &end
#
#    0 AMB  25-2:1740    70 ALA  MB          4.50    (#   1740:25  Single Ambig)
 &rst
  ixpk= 1740, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1369,1370,1046,1047,
 igr2=1036,1037,1038,
 &end
#
#    0 AMB  25-2:1741    70 ALA  MB          5.50    (#   1741:25  Single Ambig)
 &rst
  ixpk= 1741, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1=1119,1046,1047,
 igr2=1036,1037,1038,
 &end
#
#   89 GLU  HB-          70 ALA  MB          3.50    (#   1742:25  Unique         2.06, 3.53 A)
 &rst
  ixpk= 1742, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1297,1298,
 igr2=1036,1037,1038,
 &end
#
#   76 VAL  MGX          70 ALA  MB          5.50    (#   1743:25  Unique         2.31, 4.66 A)
 &rst
  ixpk= 1743, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=1121,1122,1123,1125,1126,1127,
 igr2=1036,1037,1038,
 &end
#
#   76 VAL  MGY          70 ALA  MB          5.50    (#   1744:25  Unique         2.31, 4.66 A)
 &rst
  ixpk= 1744, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=1121,1122,1123,1125,1126,1127,
 igr2=1036,1037,1038,
 &end
#
#   70 ALA  MB           71 ASP  HA          4.50    (#   1747:25  Unique         4.24, 4.88 A)
 &rst
  ixpk= 1747, nxpk= 25, iat=  -1,1044, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1036,1037,1038,
 &end
#
#   72 ASP  HN           71 ASP  HB+         4.50    (#   1748:25  Unique         2.88, 3.63 A)
 &rst
  ixpk= 1748, nxpk= 25, iat=1054,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1046,1047,
 &end
#
#   72 ASP  HN           71 ASP  HB-         4.50    (#   1749:25  Unique         2.88, 3.63 A)
 &rst
  ixpk= 1749, nxpk= 25, iat=1054,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1046,1047,
 &end
#
#   69 ASN  HD2-         71 ASP  HB+         5.50    (#   1750:25  Unique         2.24, 5.21 A)
 &rst
  ixpk= 1750, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1027,1028,
 igr2=1046,1047,
 &end
#
#   93 GLN  HE2-         71 ASP  HB+         5.50    (#   1751:25  Unique         3.87, 4.92 A)
 &rst
  ixpk= 1751, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1374,1375,
 igr2=1046,1047,
 &end
#
#   69 ASN  HD2-         71 ASP  HB-         5.50    (#   1752:25  Unique         2.24, 5.21 A)
 &rst
  ixpk= 1752, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1027,1028,
 igr2=1046,1047,
 &end
#
#    0 AMB  25-2:1753    72 ASP  HB-         3.50    (#   1753:25  Single Ambig)
 &rst
  ixpk= 1753, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1054,1066,
 igr2=1058,1059,
 &end
#
#   69 ASN  HD2-         72 ASP  HB-         3.50    (#   1754:25  Unique         1.97, 2.80 A)
 &rst
  ixpk= 1754, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1027,1028,
 igr2=1058,1059,
 &end
#
#   69 ASN  HD2-         72 ASP  HB+         3.50    (#   1755:25  Unique         1.97, 2.80 A)
 &rst
  ixpk= 1755, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1027,1028,
 igr2=1058,1059,
 &end
#
#   91 VAL  MGX          90 TRP  HA          5.50    (#   1756:25  Unique         4.81, 6.02 A)
 &rst
  ixpk= 1756, nxpk= 25, iat=  -1,1310, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1338,1339,1340,1342,1343,1344,
 &end
#
#   76 VAL  MGY          90 TRP  HA          3.50    (#   1757:25  Unique         2.29, 4.18 A)
 &rst
  ixpk= 1757, nxpk= 25, iat=  -1,1310, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1121,1122,1123,1125,1126,1127,
 &end
#
#   76 VAL  MGX          90 TRP  HA          3.50    (#   1758:25  Unique         2.29, 4.18 A)
 &rst
  ixpk= 1758, nxpk= 25, iat=  -1,1310, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1121,1122,1123,1125,1126,1127,
 &end
#
#    0 AMB  25-2:1759    73 TYR  HA          3.50    (#   1759:25  Single Ambig)
 &rst
  ixpk= 1759, nxpk= 25, iat=  -1,1068, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=  53,  54,  50,  51,
 &end
#
#   73 TYR  HB-          73 TYR  HA          2.80    (#   1760:25  Unique         2.42, 2.74 A)
 &rst
  ixpk= 1760, nxpk= 25, iat=  -1,1068, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1070,1071,
 &end
#
#   73 TYR  HB+          73 TYR  HA          2.80    (#   1761:25  Unique         2.42, 2.74 A)
 &rst
  ixpk= 1761, nxpk= 25, iat=  -1,1068, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1070,1071,
 &end
#
#   90 TRP  HB-          90 TRP  HA          3.50    (#   1762:25  Unique         2.37, 2.75 A)
 &rst
  ixpk= 1762, nxpk= 25, iat=  -1,1310, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1312,1313,
 &end
#
#   93 GLN  HE2-         90 TRP  HA          3.50    (#   1763:25  Unique         3.12, 3.92 A)
 &rst
  ixpk= 1763, nxpk= 25, iat=  -1,1310, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1374,1375,
 &end
#
#   93 GLN  HE2+         90 TRP  HA          4.50    (#   1765:25  Unique         3.12, 3.92 A)
 &rst
  ixpk= 1765, nxpk= 25, iat=  -1,1310, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1374,1375,
 &end
#
#   73 TYR  HN           73 TYR  HA          2.80    (#   1766:25  Unique         2.89, 2.91 A)
 &rst
  ixpk= 1766, nxpk= 25, iat=1066,1068, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    3 LYS  HN           73 TYR  HA          5.50    (#   1767:25  Unique         3.41, 3.69 A)
 &rst
  ixpk= 1767, nxpk= 25, iat=  43,1068, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   74 ASP  HN           73 TYR  HB+         4.50    (#   1768:25  Unique         2.10, 2.88 A)
 &rst
  ixpk= 1768, nxpk= 25, iat=1087,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1070,1071,
 &end
#
#   74 ASP  HN           73 TYR  HB-         4.50    (#   1769:25  Unique         2.10, 2.88 A)
 &rst
  ixpk= 1769, nxpk= 25, iat=1087,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1070,1071,
 &end
#
#   73 TYR  HN           73 TYR  HB+         3.50    (#   1770:25  Unique         2.52, 3.12 A)
 &rst
  ixpk= 1770, nxpk= 25, iat=1066,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1070,1071,
 &end
#
#   73 TYR  HN           73 TYR  HB-         2.80    (#   1771:25  Unique         2.52, 3.12 A)
 &rst
  ixpk= 1771, nxpk= 25, iat=1066,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1070,1071,
 &end
#
#   73 TYR  HA           73 TYR  HB+         3.50    (#   1772:25  Unique         2.42, 2.74 A)
 &rst
  ixpk= 1772, nxpk= 25, iat=1068,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1070,1071,
 &end
#
#   73 TYR  HA           73 TYR  HB-         3.50    (#   1773:25  Unique         2.42, 2.74 A)
 &rst
  ixpk= 1773, nxpk= 25, iat=1068,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1070,1071,
 &end
#
#   93 GLN  HB-          73 TYR  HB-         5.50    (#   1774:25  Unique         5.16, 6.46 A)
 &rst
  ixpk= 1774, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1366,1367,
 igr2=1070,1071,
 &end
#
#   70 ALA  HA           73 TYR  HB-         5.50    (#   1775:25  Unique         3.32, 4.19 A)
 &rst
  ixpk= 1775, nxpk= 25, iat=1034,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1070,1071,
 &end
#
#   76 VAL  MGX          73 TYR  HB-         4.50    (#   1776:25  Unique         3.00, 5.97 A)
 &rst
  ixpk= 1776, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1121,1122,1123,1125,1126,1127,
 igr2=1070,1071,
 &end
#
#   76 VAL  MGX          73 TYR  HB+         3.50    (#   1777:25  Unique         3.00, 5.97 A)
 &rst
  ixpk= 1777, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1121,1122,1123,1125,1126,1127,
 igr2=1070,1071,
 &end
#
#    0 AMB  25-2:1778    74 ASP  HA          5.50    (#   1778:25  Single Ambig)
 &rst
  ixpk= 1778, nxpk= 25, iat=  -1,1089, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=  50,  51,  53,  54,1404,1405,
 &end
#
#   74 ASP  HN           74 ASP  HA          3.50    (#   1779:25  Unique         2.95, 2.98 A)
 &rst
  ixpk= 1779, nxpk= 25, iat=1087,1089, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    3 LYS  HN           74 ASP  HB+         3.50    (#   1780:25  Unique         2.45, 3.46 A)
 &rst
  ixpk= 1780, nxpk= 25, iat=  43,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1091,1092,
 &end
#
#    3 LYS  HN           74 ASP  HB-         3.50    (#   1781:25  Unique         2.45, 3.46 A)
 &rst
  ixpk= 1781, nxpk= 25, iat=  43,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1091,1092,
 &end
#
#   74 ASP  HN           74 ASP  HB+         3.50    (#   1782:25  Unique         2.34, 3.02 A)
 &rst
  ixpk= 1782, nxpk= 25, iat=1087,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1091,1092,
 &end
#
#   74 ASP  HN           74 ASP  HB-         3.50    (#   1783:25  Unique         2.34, 3.02 A)
 &rst
  ixpk= 1783, nxpk= 25, iat=1087,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1091,1092,
 &end
#
#   75 VAL  HN           74 ASP  HB+         3.50    (#   1784:25  Unique         2.87, 3.52 A)
 &rst
  ixpk= 1784, nxpk= 25, iat=1099,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1091,1092,
 &end
#
#   75 VAL  HN           74 ASP  HB-         3.50    (#   1785:25  Unique         2.87, 3.52 A)
 &rst
  ixpk= 1785, nxpk= 25, iat=1099,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1091,1092,
 &end
#
#   74 ASP  HA           74 ASP  HB-         3.50    (#   1786:25  Unique         2.45, 2.79 A)
 &rst
  ixpk= 1786, nxpk= 25, iat=1089,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1091,1092,
 &end
#
#    2 LYS  HA           74 ASP  HB+         5.50    (#   1787:25  Unique         2.87, 3.73 A)
 &rst
  ixpk= 1787, nxpk= 25, iat=  23,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1091,1092,
 &end
#
#    2 LYS  HA           74 ASP  HB-         4.50    (#   1788:25  Unique         2.87, 3.73 A)
 &rst
  ixpk= 1788, nxpk= 25, iat=  23,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1091,1092,
 &end
#
#    2 LYS  HB+          74 ASP  HB+         4.50    (#   1789:25  Unique         2.24, 3.65 A)
 &rst
  ixpk= 1789, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=  25,  26,
 igr2=1091,1092,
 &end
#
#    2 LYS  HB+          74 ASP  HB-         3.50    (#   1790:25  Unique         2.24, 3.65 A)
 &rst
  ixpk= 1790, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=  25,  26,
 igr2=1091,1092,
 &end
#
#    0 AMB  25-2:1791     0 AMB  25-1:1791   3.50    (#   1791:25  Double Ambig)
 &rst
  ixpk= 1791, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,
 igr1=  50,  51,  31,  32,1404,1405,  53,  54,
 igr2=1091,1092,1091,1092,1091,1092,1091,1092,
 &end
#
#    2 LYS  HB-          74 ASP  HB-         2.80    (#   1792:25  Unique         2.24, 3.65 A)
 &rst
  ixpk= 1792, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=  25,  26,
 igr2=1091,1092,
 &end
#
#   75 VAL  MGX          74 ASP  HB+         5.50    (#   1793:25  Unique         2.50, 5.13 A)
 &rst
  ixpk= 1793, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1105,1106,1107,1109,1110,1111,
 igr2=1091,1092,
 &end
#
#   75 VAL  MGX          74 ASP  HB-         5.50    (#   1794:25  Unique         2.50, 5.13 A)
 &rst
  ixpk= 1794, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1105,1106,1107,1109,1110,1111,
 igr2=1091,1092,
 &end
#
#    4 VAL  MGX          75 VAL  HA          4.50    (#   1795:25  Unique         4.70, 6.04 A)
 &rst
  ixpk= 1795, nxpk= 25, iat=  -1,1101, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=  71,  72,  73,  75,  76,  77,
 &end
#
#    0 AMB  25-2:1796    75 VAL  HA          4.50    (#   1796:25  Single Ambig)
 &rst
  ixpk= 1796, nxpk= 25, iat=  -1,1101, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1=1911,1912,1913,1915,1916,1917,  85,  86,1909,
 &end
#
#    0 AMB  25-2:1797    75 VAL  HA          5.50    (#   1797:25  Single Ambig)
 &rst
  ixpk= 1797, nxpk= 25, iat=  -1,1101, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1121,1122,1123,1125,1126,1127,1404,1405,
 &end
#
#    0 AMB  25-2:1798    75 VAL  HA          4.50    (#   1798:25  Single Ambig)
 &rst
  ixpk= 1798, nxpk= 25, iat=  -1,1101, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1404,1405,1911,1912,1913,1915,1916,1917,
 &end
#
#   75 VAL  HB           75 VAL  HA          2.80    (#   1799:25  Unique         2.91, 2.92 A)
 &rst
  ixpk= 1799, nxpk= 25, iat=1103,1101, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   95 ILE  HN           75 VAL  HA          3.50    (#   1801:25  Unique         2.35, 2.40 A)
 &rst
  ixpk= 1801, nxpk= 25, iat=1394,1101, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    4 VAL  MGX          75 VAL  MGX         4.50    (#   1802:25  Unique         2.02, 4.95 A)
 &rst
  ixpk= 1802, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1=  71,  72,  73,  75,  76,  77,
 igr2=1105,1106,1107,1109,1110,1111,
 &end
#
#   95 ILE  HG1+         75 VAL  MGX         4.50    (#   1803:25  Unique         2.60, 4.63 A)
 &rst
  ixpk= 1803, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1404,1405,
 igr2=1105,1106,1107,1109,1110,1111,
 &end
#
#   74 ASP  HB-          75 VAL  MGX         5.50    (#   1804:25  Unique         2.50, 5.13 A)
 &rst
  ixpk= 1804, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1091,1092,
 igr2=1105,1106,1107,1109,1110,1111,
 &end
#
#   74 ASP  HB+          75 VAL  MGX         5.50    (#   1805:25  Unique         2.50, 5.13 A)
 &rst
  ixpk= 1805, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1091,1092,
 igr2=1105,1106,1107,1109,1110,1111,
 &end
#
#   75 VAL  HA           75 VAL  MGX         3.50    (#   1806:25  Unique         2.32, 3.13 A)
 &rst
  ixpk= 1806, nxpk= 25, iat=1101,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1105,1106,1107,1109,1110,1111,
 &end
#
#    0 AMB  25-2:1807    75 VAL  MGX         4.50    (#   1807:25  Single Ambig)
 &rst
  ixpk= 1807, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=  67,1089,
 igr2=1105,1106,1107,1109,1110,1111,
 &end
#
#   75 VAL  HN           75 VAL  MGX         4.50    (#   1808:25  Unique         3.15, 4.29 A)
 &rst
  ixpk= 1808, nxpk= 25, iat=1099,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1105,1106,1107,1109,1110,1111,
 &end
#
#   76 VAL  HN           75 VAL  MGX         4.50    (#   1809:25  Unique         2.18, 4.00 A)
 &rst
  ixpk= 1809, nxpk= 25, iat=1115,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1105,1106,1107,1109,1110,1111,
 &end
#
#   76 VAL  HN           75 VAL  MGY         3.50    (#   1810:25  Unique         2.18, 4.00 A)
 &rst
  ixpk= 1810, nxpk= 25, iat=1115,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1105,1106,1107,1109,1110,1111,
 &end
#
#   93 GLN  HA           75 VAL  MGY         5.50    (#   1811:25  Unique         5.18, 6.98 A)
 &rst
  ixpk= 1811, nxpk= 25, iat=1364,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1105,1106,1107,1109,1110,1111,
 &end
#
#    5 MET  HN           76 VAL  HA          3.50    (#   1812:25  Unique         2.48, 2.73 A)
 &rst
  ixpk= 1812, nxpk= 25, iat=  81,1117, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   76 VAL  HB           76 VAL  HA          3.50    (#   1813:25  Unique         2.42, 2.96 A)
 &rst
  ixpk= 1813, nxpk= 25, iat=1119,1117, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    5 MET  HB+          76 VAL  HA          3.50    (#   1814:25  Unique         2.41, 3.48 A)
 &rst
  ixpk= 1814, nxpk= 25, iat=  -1,1117, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=  85,  86,
 &end
#
#   77 ILE  HB           76 VAL  HA          4.50    (#   1815:25  Unique         4.40, 4.49 A)
 &rst
  ixpk= 1815, nxpk= 25, iat=1135,1117, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   76 VAL  MGX          76 VAL  HA          3.50    (#   1816:25  Unique         2.45, 3.26 A)
 &rst
  ixpk= 1816, nxpk= 25, iat=  -1,1117, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1121,1122,1123,1125,1126,1127,
 &end
#
#    0 AMB  25-2:1817    76 VAL  HA          3.50    (#   1817:25  Single Ambig)
 &rst
  ixpk= 1817, nxpk= 25, iat=  -1,1117, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=  85,  86,1121,1122,1123,1125,1126,1127,
 &end
#
#    0 AMB  25-2:1818    76 VAL  HA          5.50    (#   1818:25  Single Ambig)
 &rst
  ixpk= 1818, nxpk= 25, iat=  -1,1117, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1141,1142, 124, 125, 126, 128, 129, 130,
 &end
#
#    0 AMB  25-2:1819    76 VAL  HA          4.50    (#   1819:25  Single Ambig)
 &rst
  ixpk= 1819, nxpk= 25, iat=  -1,1117, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 124, 125, 126, 128, 129, 130,1144,1145,1146,
 &end
#
#    4 VAL  MGX          76 VAL  HA          3.50    (#   1820:25  Unique         3.82, 5.73 A)
 &rst
  ixpk= 1820, nxpk= 25, iat=  -1,1117, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=  71,  72,  73,  75,  76,  77,
 &end
#
#   96 PHE  HD           76 VAL  HB          4.50    (#   1821:25  Unique         2.29, 4.54 A)
 &rst
  ixpk= 1821, nxpk= 25, iat=  -1,1119, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1421,1429,
 &end
#
#   76 VAL  HN           76 VAL  HB          4.50    (#   1822:25  Unique         2.42, 2.72 A)
 &rst
  ixpk= 1822, nxpk= 25, iat=1115,1119, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    7 VAL  MGY          76 VAL  MGY         4.50    (#   1823:25  Unique         2.59, 6.26 A)
 &rst
  ixpk= 1823, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1= 124, 125, 126, 128, 129, 130,
 igr2=1121,1122,1123,1125,1126,1127,
 &end
#
#    5 MET  HB+          76 VAL  MGY         4.50    (#   1824:25  Unique         2.14, 4.91 A)
 &rst
  ixpk= 1824, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=  85,  86,
 igr2=1121,1122,1123,1125,1126,1127,
 &end
#
#   90 TRP  HB-          76 VAL  MGY         4.50    (#   1825:25  Unique         2.56, 4.97 A)
 &rst
  ixpk= 1825, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1312,1313,
 igr2=1121,1122,1123,1125,1126,1127,
 &end
#
#   90 TRP  HB+          76 VAL  MGY         3.50    (#   1826:25  Unique         2.56, 4.97 A)
 &rst
  ixpk= 1826, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1312,1313,
 igr2=1121,1122,1123,1125,1126,1127,
 &end
#
#   90 TRP  HA           76 VAL  MGY         3.50    (#   1827:25  Unique         2.29, 4.18 A)
 &rst
  ixpk= 1827, nxpk= 25, iat=1310,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1121,1122,1123,1125,1126,1127,
 &end
#
#   76 VAL  HA           76 VAL  MGY         3.50    (#   1828:25  Unique         2.45, 3.26 A)
 &rst
  ixpk= 1828, nxpk= 25, iat=1117,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1121,1122,1123,1125,1126,1127,
 &end
#
#   96 PHE  HD           76 VAL  MGY         3.50    (#   1829:25  Unique         2.12, 5.66 A)
 &rst
  ixpk= 1829, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1421,1429,
 igr2=1121,1122,1123,1125,1126,1127,
 &end
#
#   77 ILE  HN           76 VAL  MGY         3.50    (#   1830:25  Unique         3.01, 4.33 A)
 &rst
  ixpk= 1830, nxpk= 25, iat=1131,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1121,1122,1123,1125,1126,1127,
 &end
#
#   97 GLU  HN           77 ILE  HA          3.50    (#   1831:25  Unique         2.85, 3.03 A)
 &rst
  ixpk= 1831, nxpk= 25, iat=1433,1133, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   77 ILE  HB           77 ILE  HA          3.50    (#   1832:25  Unique         3.03, 3.05 A)
 &rst
  ixpk= 1832, nxpk= 25, iat=1135,1133, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   77 ILE  QD1          77 ILE  HA          2.80    (#   1833:25  Unique         2.25, 2.95 A)
 &rst
  ixpk= 1833, nxpk= 25, iat=  -1,1133, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1144,1145,1146,
 &end
#
#   77 ILE  QG2          77 ILE  HB          2.80    (#   1834:25  Unique         2.40, 2.65 A)
 &rst
  ixpk= 1834, nxpk= 25, iat=  -1,1135, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1137,1138,1139,
 &end
#
#    0 AMB  25-2:1835    77 ILE  HB          3.50    (#   1835:25  Single Ambig)
 &rst
  ixpk= 1835, nxpk= 25, iat=  -1,1135, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1144,1145,1146, 124, 125, 126, 128, 129, 130,
 &end
#
#   77 ILE  HG1+         77 ILE  HB          3.50    (#   1836:25  Unique         2.38, 2.45 A)
 &rst
  ixpk= 1836, nxpk= 25, iat=  -1,1135, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1141,1142,
 &end
#
#    0 AMB  25-2:1837    77 ILE  HB          5.50    (#   1837:25  Single Ambig)
 &rst
  ixpk= 1837, nxpk= 25, iat=  -1,1135, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1170,1171,1172,1174,1175,1176,1105,1106,1107,1109,
      1110,1111,
 &end
#
#   77 ILE  HG1-         77 ILE  HB          2.80    (#   1838:25  Unique         2.38, 2.45 A)
 &rst
  ixpk= 1838, nxpk= 25, iat=  -1,1135, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1141,1142,
 &end
#
#    0 AMB  25-2:1839    77 ILE  HB          4.50    (#   1839:25  Single Ambig)
 &rst
  ixpk= 1839, nxpk= 25, iat=  -1,1135, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1911,1912,1913,1915,1916,1917,  85,  86,
 &end
#
#    6 PHE  HB-          77 ILE  HB          5.50    (#   1840:25  Unique         3.85, 4.71 A)
 &rst
  ixpk= 1840, nxpk= 25, iat=  -1,1135, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 102, 103,
 &end
#
#   77 ILE  HA           77 ILE  HB          3.50    (#   1841:25  Unique         3.03, 3.05 A)
 &rst
  ixpk= 1841, nxpk= 25, iat=1133,1135, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   76 VAL  HA           77 ILE  HB          5.50    (#   1842:25  Unique         4.40, 4.49 A)
 &rst
  ixpk= 1842, nxpk= 25, iat=1117,1135, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    6 PHE  HA           77 ILE  HB          3.50    (#   1843:25  Unique         2.42, 2.76 A)
 &rst
  ixpk= 1843, nxpk= 25, iat= 100,1135, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    6 PHE  HD           77 ILE  HB          2.80    (#   1844:25  Unique         2.10, 3.91 A)
 &rst
  ixpk= 1844, nxpk= 25, iat=  -1,1135, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 106, 114,
 &end
#
#   77 ILE  HN           77 ILE  HB          3.50    (#   1845:25  Unique         2.53, 2.58 A)
 &rst
  ixpk= 1845, nxpk= 25, iat=1131,1135, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   99 TRP  HH2          77 ILE  HG1+        4.50    (#   1846:25  Unique         2.77, 3.68 A)
 &rst
  ixpk= 1846, nxpk= 25, iat=1475,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1141,1142,
 &end
#
#   86 LEU  HA           86 LEU  MDX         3.50    (#   1847:25  Unique         2.16, 3.84 A)
 &rst
  ixpk= 1847, nxpk= 25, iat=1248,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1255,1256,1257,1259,1260,1261,
 &end
#
#    0 AMB  25-2:1848    86 LEU  MDX         3.50    (#   1848:25  Single Ambig)
 &rst
  ixpk= 1848, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1=1312,1313,1266,1267,
 igr2=1255,1256,1257,1259,1260,1261,
 &end
#
#   77 ILE  HB           77 ILE  HG1-        3.50    (#   1849:25  Unique         2.38, 2.45 A)
 &rst
  ixpk= 1849, nxpk= 25, iat=1135,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1141,1142,
 &end
#
#   77 ILE  HB           77 ILE  HG1+        4.50    (#   1850:25  Unique         2.38, 2.45 A)
 &rst
  ixpk= 1850, nxpk= 25, iat=1135,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1141,1142,
 &end
#
#    0 AMB  25-2:1851    86 LEU  MDX         3.50    (#   1851:25  Single Ambig)
 &rst
  ixpk= 1851, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
 igr1=1250,1251,1121,1122,1123,1125,1126,1127,
 igr2=1255,1256,1257,1259,1260,1261,
 &end
#
#   76 VAL  MGY          86 LEU  MDX         4.50    (#   1852:25  Unique         2.87, 6.55 A)
 &rst
  ixpk= 1852, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1=1121,1122,1123,1125,1126,1127,
 igr2=1255,1256,1257,1259,1260,1261,
 &end
#
#  126 LEU  MDX          77 ILE  HG1+        4.50    (#   1853:25  Unique         2.11, 3.96 A)
 &rst
  ixpk= 1853, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1911,1912,1913,1915,1916,1917,
 igr2=1141,1142,
 &end
#
#   77 ILE  QD1          77 ILE  HG1+        2.80    (#   1854:25  Unique         2.34, 2.67 A)
 &rst
  ixpk= 1854, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1144,1145,1146,
 igr2=1141,1142,
 &end
#
#   65 ILE  QD1          86 LEU  MDX         5.50    (#   1856:25  Unique         2.24, 4.26 A)
 &rst
  ixpk= 1856, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1= 963, 964, 965,
 igr2=1255,1256,1257,1259,1260,1261,
 &end
#
#   77 ILE  QG2          77 ILE  HG1-        4.50    (#   1857:25  Unique         2.31, 3.47 A)
 &rst
  ixpk= 1857, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1137,1138,1139,
 igr2=1141,1142,
 &end
#
#   77 ILE  QG2          77 ILE  HG1+        3.50    (#   1858:25  Unique         2.31, 3.47 A)
 &rst
  ixpk= 1858, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1137,1138,1139,
 igr2=1141,1142,
 &end
#
#   77 ILE  HB           77 ILE  QD1         4.50    (#   1861:25  Unique         3.77, 3.98 A)
 &rst
  ixpk= 1861, nxpk= 25, iat=1135,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1144,1145,1146,
 &end
#
#   97 GLU  HB+          77 ILE  QD1         3.50    (#   1862:25  Unique         2.19, 3.02 A)
 &rst
  ixpk= 1862, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1437,1438,
 igr2=1144,1145,1146,
 &end
#
#   97 GLU  HB-          77 ILE  QD1         3.50    (#   1863:25  Unique         2.19, 3.02 A)
 &rst
  ixpk= 1863, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1437,1438,
 igr2=1144,1145,1146,
 &end
#
#   97 GLU  HG+          77 ILE  QD1         5.50    (#   1864:25  Unique         3.68, 4.81 A)
 &rst
  ixpk= 1864, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1440,1441,
 igr2=1144,1145,1146,
 &end
#
#  126 LEU  HB+          77 ILE  QD1         5.50    (#   1865:25  Unique         2.75, 4.55 A)
 &rst
  ixpk= 1865, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1906,1907,
 igr2=1144,1145,1146,
 &end
#
#   97 GLU  HA           77 ILE  QD1         5.50    (#   1866:25  Unique         4.77, 5.35 A)
 &rst
  ixpk= 1866, nxpk= 25, iat=1435,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1144,1145,1146,
 &end
#
#   77 ILE  HA           77 ILE  QD1         3.50    (#   1867:25  Unique         2.25, 2.95 A)
 &rst
  ixpk= 1867, nxpk= 25, iat=1133,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1144,1145,1146,
 &end
#
#    0 AMB  25-2:1868    77 ILE  QD1         4.50    (#   1868:25  Single Ambig)
 &rst
  ixpk= 1868, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1468, 110,
 igr2=1144,1145,1146,
 &end
#
#   97 GLU  HN           77 ILE  QD1         3.50    (#   1869:25  Unique         2.95, 4.01 A)
 &rst
  ixpk= 1869, nxpk= 25, iat=1433,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1144,1145,1146,
 &end
#
#   77 ILE  HN           77 ILE  QD1         4.50    (#   1870:25  Unique         3.81, 4.67 A)
 &rst
  ixpk= 1870, nxpk= 25, iat=1131,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1144,1145,1146,
 &end
#
#   99 TRP  HE1          77 ILE  QD1         4.50    (#   1871:25  Unique         2.80, 3.74 A)
 &rst
  ixpk= 1871, nxpk= 25, iat=1470,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1144,1145,1146,
 &end
#
#   78 SER  HN           77 ILE  QG2         4.50    (#   1872:25  Unique         3.61, 4.34 A)
 &rst
  ixpk= 1872, nxpk= 25, iat=1150,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1137,1138,1139,
 &end
#
#   99 TRP  HZ2          77 ILE  QG2         4.50    (#   1873:25  Unique         3.83, 4.62 A)
 &rst
  ixpk= 1873, nxpk= 25, iat=1473,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1137,1138,1139,
 &end
#
#    0 AMB  25-2:1874    77 ILE  QG2         3.50    (#   1874:25  Single Ambig)
 &rst
  ixpk= 1874, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 106, 114,1477,
 igr2=1137,1138,1139,
 &end
#
#    0 AMB  25-2:1875    77 ILE  QG2         4.50    (#   1875:25  Single Ambig)
 &rst
  ixpk= 1875, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 100,1163,
 igr2=1137,1138,1139,
 &end
#
#   77 ILE  HA           77 ILE  QG2         3.50    (#   1876:25  Unique         2.53, 3.15 A)
 &rst
  ixpk= 1876, nxpk= 25, iat=1133,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1137,1138,1139,
 &end
#
#   97 GLU  HB-          77 ILE  QG2         5.50    (#   1877:25  Unique         3.04, 4.99 A)
 &rst
  ixpk= 1877, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1437,1438,
 igr2=1137,1138,1139,
 &end
#
#   79 LEU  HG           77 ILE  QG2         3.50    (#   1878:25  Unique         2.75, 3.97 A)
 &rst
  ixpk= 1878, nxpk= 25, iat=1168,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1137,1138,1139,
 &end
#
#   77 ILE  HB           77 ILE  QG2         3.50    (#   1879:25  Unique         2.40, 2.65 A)
 &rst
  ixpk= 1879, nxpk= 25, iat=1135,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1137,1138,1139,
 &end
#
#    0 AMB  25-2:1880    77 ILE  QG2         4.50    (#   1880:25  Single Ambig)
 &rst
  ixpk= 1880, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.39, r4= 9.14,
 igr1=1911,1912,1913,1915,1916,1917,1786,1787,1788,1790,
      1791,1792,1840,1841,
 igr2=1137,1138,1139,
 &end
#
#   79 LEU  MDY          77 ILE  QG2         4.50    (#   1881:25  Unique         2.09, 4.59 A)
 &rst
  ixpk= 1881, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=1170,1171,1172,1174,1175,1176,
 igr2=1137,1138,1139,
 &end
#
#   79 LEU  MDX          77 ILE  QG2         4.50    (#   1882:25  Unique         2.09, 4.59 A)
 &rst
  ixpk= 1882, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=1170,1171,1172,1174,1175,1176,
 igr2=1137,1138,1139,
 &end
#
#   77 ILE  HG1-         77 ILE  QG2         3.50    (#   1883:25  Unique         2.31, 3.47 A)
 &rst
  ixpk= 1883, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1141,1142,
 igr2=1137,1138,1139,
 &end
#
#   77 ILE  HG1+         77 ILE  QG2         3.50    (#   1884:25  Unique         2.31, 3.47 A)
 &rst
  ixpk= 1884, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1141,1142,
 igr2=1137,1138,1139,
 &end
#
#   79 LEU  HN           78 SER  HA          2.80    (#   1885:25  Unique         2.26, 2.38 A)
 &rst
  ixpk= 1885, nxpk= 25, iat=1161,1152, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   78 SER  HN           78 SER  HB-         4.50    (#   1886:25  Unique         2.30, 2.98 A)
 &rst
  ixpk= 1886, nxpk= 25, iat=1150,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1154,1155,
 &end
#
#   90 TRP  HZ3          78 SER  HB-         4.50    (#   1887:25  Unique         4.65, 5.48 A)
 &rst
  ixpk= 1887, nxpk= 25, iat=1325,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1154,1155,
 &end
#
#   90 TRP  HZ3          78 SER  HB+         4.50    (#   1888:25  Unique         4.65, 5.48 A)
 &rst
  ixpk= 1888, nxpk= 25, iat=1325,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1154,1155,
 &end
#
#   80 CYS  HN           80 CYS  HA          4.50    (#   1891:25  Unique         2.78, 2.93 A)
 &rst
  ixpk= 1891, nxpk= 25, iat=1180,1182, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   80 CYS  HB+          80 CYS  HA          3.50    (#   1892:25  Unique         2.33, 2.69 A)
 &rst
  ixpk= 1892, nxpk= 25, iat=  -1,1182, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1184,1185,
 &end
#
#   84 VAL  HB           80 CYS  HB+         3.50    (#   1895:25  Unique         2.37, 3.11 A)
 &rst
  ixpk= 1895, nxpk= 25, iat=1220,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1184,1185,
 &end
#
#   80 CYS  HA           80 CYS  HB-         5.50    (#   1897:25  Unique         2.33, 2.69 A)
 &rst
  ixpk= 1897, nxpk= 25, iat=1182,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1184,1185,
 &end
#
#   80 CYS  HA           80 CYS  HB+         3.50    (#   1898:25  Unique         2.33, 2.69 A)
 &rst
  ixpk= 1898, nxpk= 25, iat=1182,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1184,1185,
 &end
#
#   81 GLY  HN           81 GLY  HA+         3.50    (#   1901:25  Unique         2.24, 2.60 A)
 &rst
  ixpk= 1901, nxpk= 25, iat=1191,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1193,1194,
 &end
#
#   81 GLY  HN           81 GLY  HA-         3.50    (#   1902:25  Unique         2.24, 2.60 A)
 &rst
  ixpk= 1902, nxpk= 25, iat=1191,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1193,1194,
 &end
#
#   82 CYS  HN           81 GLY  HA+         4.50    (#   1903:25  Unique         2.84, 3.25 A)
 &rst
  ixpk= 1903, nxpk= 25, iat=1198,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1193,1194,
 &end
#
#   82 CYS  HN           81 GLY  HA-         4.50    (#   1904:25  Unique         2.84, 3.25 A)
 &rst
  ixpk= 1904, nxpk= 25, iat=1198,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1193,1194,
 &end
#
#   96 PHE  HD           91 VAL  HA          3.50    (#   1907:25  Unique         2.62, 4.18 A)
 &rst
  ixpk= 1907, nxpk= 25, iat=  -1,1334, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1421,1429,
 &end
#
#    0 AMB  25-2:1908    91 VAL  HA          3.50    (#   1908:25  Single Ambig)
 &rst
  ixpk= 1908, nxpk= 25, iat=  -1,1334, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1332,1348,
 &end
#
#    0 AMB  25-2:1909    91 VAL  HA          5.50    (#   1909:25  Single Ambig)
 &rst
  ixpk= 1909, nxpk= 25, iat=  -1,1334, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1423,1427,1415,
 &end
#
#   96 PHE  HB+          91 VAL  HA          3.50    (#   1910:25  Unique         2.47, 3.26 A)
 &rst
  ixpk= 1910, nxpk= 25, iat=  -1,1334, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1417,1418,
 &end
#
#   96 PHE  HB-          91 VAL  HA          3.50    (#   1911:25  Unique         2.47, 3.26 A)
 &rst
  ixpk= 1911, nxpk= 25, iat=  -1,1334, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1417,1418,
 &end
#
#   91 VAL  MGX          91 VAL  HA          3.50    (#   1912:25  Unique         2.35, 3.45 A)
 &rst
  ixpk= 1912, nxpk= 25, iat=  -1,1334, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1338,1339,1340,1342,1343,1344,
 &end
#
#   82 CYS  HN           82 CYS  HB+         3.50    (#   1917:25  Unique         2.26, 3.15 A)
 &rst
  ixpk= 1917, nxpk= 25, iat=1198,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1202,1203,
 &end
#
#   82 CYS  HN           82 CYS  HB-         4.50    (#   1918:25  Unique         2.26, 3.15 A)
 &rst
  ixpk= 1918, nxpk= 25, iat=1198,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1202,1203,
 &end
#
#   83 GLY  HN           83 GLY  HA+         5.50    (#   1919:25  Unique         2.29, 2.72 A)
 &rst
  ixpk= 1919, nxpk= 25, iat=1209,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1211,1212,
 &end
#
#   83 GLY  HN           83 GLY  HA-         4.50    (#   1920:25  Unique         2.29, 2.72 A)
 &rst
  ixpk= 1920, nxpk= 25, iat=1209,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1211,1212,
 &end
#
#   84 VAL  HN           83 GLY  HA+         4.50    (#   1921:25  Unique         2.64, 3.29 A)
 &rst
  ixpk= 1921, nxpk= 25, iat=1216,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1211,1212,
 &end
#
#   84 VAL  HN           83 GLY  HA-         3.50    (#   1922:25  Unique         2.64, 3.29 A)
 &rst
  ixpk= 1922, nxpk= 25, iat=1216,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1211,1212,
 &end
#
#   84 VAL  HB           84 VAL  HA          3.50    (#   1925:25  Unique         2.39, 2.84 A)
 &rst
  ixpk= 1925, nxpk= 25, iat=1220,1218, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   84 VAL  HN           84 VAL  HA          3.50    (#   1928:25  Unique         2.85, 2.94 A)
 &rst
  ixpk= 1928, nxpk= 25, iat=1216,1218, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   84 VAL  HN           84 VAL  HB          3.50    (#   1929:25  Unique         2.36, 2.57 A)
 &rst
  ixpk= 1929, nxpk= 25, iat=1216,1220, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   80 CYS  HB-          84 VAL  HB          3.50    (#   1930:25  Unique         2.37, 3.11 A)
 &rst
  ixpk= 1930, nxpk= 25, iat=  -1,1220, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1184,1185,
 &end
#
#   80 CYS  HB+          84 VAL  HB          2.80    (#   1931:25  Unique         2.37, 3.11 A)
 &rst
  ixpk= 1931, nxpk= 25, iat=  -1,1220, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1184,1185,
 &end
#
#   80 CYS  HB+          84 VAL  MGX         3.50    (#   1932:25  Unique         2.22, 4.17 A)
 &rst
  ixpk= 1932, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1184,1185,
 igr2=1222,1223,1224,1226,1227,1228,
 &end
#
#   80 CYS  HB-          84 VAL  MGX         3.50    (#   1933:25  Unique         2.22, 4.17 A)
 &rst
  ixpk= 1933, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1184,1185,
 igr2=1222,1223,1224,1226,1227,1228,
 &end
#
#   84 VAL  HN           84 VAL  MGX         3.50    (#   1935:25  Unique         2.02, 3.93 A)
 &rst
  ixpk= 1935, nxpk= 25, iat=1216,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1222,1223,1224,1226,1227,1228,
 &end
#
#   89 GLU  HN           88 PRO  HA          4.50    (#   1936:25  Unique         3.41, 3.50 A)
 &rst
  ixpk= 1936, nxpk= 25, iat=1293,1289, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   90 TRP  HN           88 PRO  HA          4.50    (#   1937:25  Unique         3.61, 3.86 A)
 &rst
  ixpk= 1937, nxpk= 25, iat=1308,1289, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:1938    88 PRO  HA          4.50    (#   1938:25  Single Ambig)
 &rst
  ixpk= 1938, nxpk= 25, iat=  -1,1289, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1332,1348,
 &end
#
#   88 PRO  HD+          88 PRO  HA          3.50    (#   1939:25  Unique         3.25, 3.67 A)
 &rst
  ixpk= 1939, nxpk= 25, iat=  -1,1289, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1280,1281,
 &end
#
#   68 PHE  HB-          65 ILE  HA          5.50    (#   1940:25  Unique         2.88, 4.01 A)
 &rst
  ixpk= 1940, nxpk= 25, iat=  -1, 952, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1002,1003,
 &end
#
#   91 VAL  HB           88 PRO  HA          5.50    (#   1941:25  Unique         2.58, 4.95 A)
 &rst
  ixpk= 1941, nxpk= 25, iat=1336,1289, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   91 VAL  MGY          88 PRO  HA          4.50    (#   1942:25  Unique         2.17, 3.90 A)
 &rst
  ixpk= 1942, nxpk= 25, iat=  -1,1289, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1338,1339,1340,1342,1343,1344,
 &end
#
#   88 PRO  HD+          88 PRO  HB+         3.50    (#   1943:25  Unique         2.76, 3.65 A)
 &rst
  ixpk= 1943, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1280,1281,
 igr2=1286,1287,
 &end
#
#   89 GLU  HN           88 PRO  HB+         5.50    (#   1944:25  Unique         3.10, 3.83 A)
 &rst
  ixpk= 1944, nxpk= 25, iat=1293,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1286,1287,
 &end
#
#   89 GLU  HN           88 PRO  HB-         4.50    (#   1945:25  Unique         3.10, 3.83 A)
 &rst
  ixpk= 1945, nxpk= 25, iat=1293,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1286,1287,
 &end
#
#   89 GLU  HN           88 PRO  HG+         4.50    (#   1946:25  Unique         3.19, 4.72 A)
 &rst
  ixpk= 1946, nxpk= 25, iat=1293,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1283,1284,
 &end
#
#   89 GLU  HN           88 PRO  HG-         4.50    (#   1947:25  Unique         3.19, 4.72 A)
 &rst
  ixpk= 1947, nxpk= 25, iat=1293,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1283,1284,
 &end
#
#   88 PRO  HA           88 PRO  HG+         3.50    (#   1948:25  Unique         2.71, 3.41 A)
 &rst
  ixpk= 1948, nxpk= 25, iat=1289,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1283,1284,
 &end
#
#   88 PRO  HA           88 PRO  HG-         3.50    (#   1949:25  Unique         2.71, 3.41 A)
 &rst
  ixpk= 1949, nxpk= 25, iat=1289,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1283,1284,
 &end
#
#   88 PRO  HB+          88 PRO  HD+         2.80    (#   1950:25  Unique         2.76, 3.65 A)
 &rst
  ixpk= 1950, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1286,1287,
 igr2=1280,1281,
 &end
#
#   87 PRO  HB+          88 PRO  HD+         2.80    (#   1951:25  Unique         2.25, 3.02 A)
 &rst
  ixpk= 1951, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1272,1273,
 igr2=1280,1281,
 &end
#
#   89 GLU  HN           88 PRO  HD+         3.50    (#   1954:25  Unique         3.14, 3.76 A)
 &rst
  ixpk= 1954, nxpk= 25, iat=1293,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1280,1281,
 &end
#
#   93 GLN  HE2+         89 GLU  HA          4.50    (#   1955:25  Unique         3.96, 4.72 A)
 &rst
  ixpk= 1955, nxpk= 25, iat=  -1,1295, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1374,1375,
 &end
#
#   92 THR  MG2          89 GLU  HA          3.50    (#   1958:25  Unique         2.78, 4.15 A)
 &rst
  ixpk= 1958, nxpk= 25, iat=  -1,1295, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1354,1355,1356,
 &end
#
#   70 ALA  MB           89 GLU  HA          4.50    (#   1959:25  Unique         4.02, 5.12 A)
 &rst
  ixpk= 1959, nxpk= 25, iat=  -1,1295, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1036,1037,1038,
 &end
#
#   70 ALA  MB           89 GLU  HB+         3.50    (#   1960:25  Unique         2.06, 3.53 A)
 &rst
  ixpk= 1960, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1036,1037,1038,
 igr2=1297,1298,
 &end
#
#   70 ALA  MB           89 GLU  HB-         3.50    (#   1961:25  Unique         2.06, 3.53 A)
 &rst
  ixpk= 1961, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1036,1037,1038,
 igr2=1297,1298,
 &end
#
#   89 GLU  HA           89 GLU  HB+         2.80    (#   1962:25  Unique         2.26, 2.70 A)
 &rst
  ixpk= 1962, nxpk= 25, iat=1295,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1297,1298,
 &end
#
#   89 GLU  HA           89 GLU  HB-         2.80    (#   1963:25  Unique         2.26, 2.70 A)
 &rst
  ixpk= 1963, nxpk= 25, iat=1295,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1297,1298,
 &end
#
#   89 GLU  HN           89 GLU  HB+         3.50    (#   1964:25  Unique         2.67, 3.18 A)
 &rst
  ixpk= 1964, nxpk= 25, iat=1293,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1297,1298,
 &end
#
#   89 GLU  HN           89 GLU  HB-         3.50    (#   1965:25  Unique         2.67, 3.18 A)
 &rst
  ixpk= 1965, nxpk= 25, iat=1293,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1297,1298,
 &end
#
#   90 TRP  HN           89 GLU  HG+         4.50    (#   1966:25  Unique         2.73, 4.16 A)
 &rst
  ixpk= 1966, nxpk= 25, iat=1308,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1300,1301,
 &end
#
#   90 TRP  HD1          89 GLU  HG+         3.50    (#   1967:25  Unique         2.24, 3.67 A)
 &rst
  ixpk= 1967, nxpk= 25, iat=1316,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1300,1301,
 &end
#
#  118 GLN  HA          121 GLU  HG+         3.50    (#   1968:25  Unique         2.88, 4.26 A)
 &rst
  ixpk= 1968, nxpk= 25, iat=1765,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1825,1826,
 &end
#
#   90 TRP  HN           90 TRP  HB+         3.50    (#   1969:25  Unique         2.30, 2.93 A)
 &rst
  ixpk= 1969, nxpk= 25, iat=1308,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1312,1313,
 &end
#
#   90 TRP  HN           90 TRP  HB-         3.50    (#   1970:25  Unique         2.30, 2.93 A)
 &rst
  ixpk= 1970, nxpk= 25, iat=1308,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1312,1313,
 &end
#
#   90 TRP  HE3          90 TRP  HB+         3.50    (#   1971:25  Unique         2.40, 3.31 A)
 &rst
  ixpk= 1971, nxpk= 25, iat=1327,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1312,1313,
 &end
#
#   90 TRP  HE3          90 TRP  HB-         5.50    (#   1972:25  Unique         2.40, 3.31 A)
 &rst
  ixpk= 1972, nxpk= 25, iat=1327,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1312,1313,
 &end
#
#    0 AMB  25-2:1973    90 TRP  HB-         3.50    (#   1973:25  Single Ambig)
 &rst
  ixpk= 1973, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1316,1332,
 igr2=1312,1313,
 &end
#
#    0 AMB  25-2:1974     0 AMB  25-1:1974   4.50    (#   1974:25  Double Ambig)
 &rst
  ixpk= 1974, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1316,1332,
 igr2=1312,1313,1312,1313,
 &end
#
#   90 TRP  HA           90 TRP  HB+         3.50    (#   1975:25  Unique         2.37, 2.75 A)
 &rst
  ixpk= 1975, nxpk= 25, iat=1310,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1312,1313,
 &end
#
#   90 TRP  HA           90 TRP  HB-         3.50    (#   1976:25  Unique         2.37, 2.75 A)
 &rst
  ixpk= 1976, nxpk= 25, iat=1310,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1312,1313,
 &end
#
#   96 PHE  HB+          90 TRP  HB+         4.50    (#   1977:25  Unique         4.85, 6.09 A)
 &rst
  ixpk= 1977, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1417,1418,
 igr2=1312,1313,
 &end
#
#    0 AMB  25-2:1980     0 AMB  25-1:1980   3.50    (#   1980:25  Double Ambig)
 &rst
  ixpk= 1980, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.24, r4= 6.99,
 igr1=1250,1251,1121,1122,1123,1125,1126,1127,
 igr2=1312,1313,1312,1313,
 &end
#
#    0 AMB  25-2:1981    90 TRP  HB-         3.50    (#   1981:25  Single Ambig)
 &rst
  ixpk= 1981, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1=1250,1251,1121,1122,1123,1125,1126,1127,
 igr2=1312,1313,
 &end
#
#   76 VAL  MGY          90 TRP  HB-         3.50    (#   1982:25  Unique         2.56, 4.97 A)
 &rst
  ixpk= 1982, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1121,1122,1123,1125,1126,1127,
 igr2=1312,1313,
 &end
#
#   76 VAL  MGY          90 TRP  HB+         3.50    (#   1983:25  Unique         2.56, 4.97 A)
 &rst
  ixpk= 1983, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1121,1122,1123,1125,1126,1127,
 igr2=1312,1313,
 &end
#
#   86 LEU  MDX          90 TRP  HB+         4.50    (#   1984:25  Unique         2.33, 4.32 A)
 &rst
  ixpk= 1984, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1255,1256,1257,1259,1260,1261,
 igr2=1312,1313,
 &end
#
#   86 LEU  MDY          90 TRP  HB+         3.50    (#   1987:25  Unique         2.33, 4.32 A)
 &rst
  ixpk= 1987, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1255,1256,1257,1259,1260,1261,
 igr2=1312,1313,
 &end
#
#   91 VAL  MGY          90 TRP  HB+         5.50    (#   1988:25  Unique         3.00, 5.27 A)
 &rst
  ixpk= 1988, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1338,1339,1340,1342,1343,1344,
 igr2=1312,1313,
 &end
#
#   91 VAL  MGY          90 TRP  HB-         5.50    (#   1989:25  Unique         3.00, 5.27 A)
 &rst
  ixpk= 1989, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1338,1339,1340,1342,1343,1344,
 igr2=1312,1313,
 &end
#
#   93 GLN  HN           91 VAL  HA          4.50    (#   1990:25  Unique         3.33, 4.46 A)
 &rst
  ixpk= 1990, nxpk= 25, iat=1362,1334, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   96 PHE  HD           91 VAL  HB          5.50    (#   1991:25  Unique         3.67, 5.85 A)
 &rst
  ixpk= 1991, nxpk= 25, iat=  -1,1336, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1421,1429,
 &end
#
#    0 AMB  25-2:1992    91 VAL  HB          3.50    (#   1992:25  Single Ambig)
 &rst
  ixpk= 1992, nxpk= 25, iat=  -1,1336, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1332,1348,
 &end
#
#   92 THR  MG2          91 VAL  HB          4.50    (#   1994:25  Unique         3.41, 5.70 A)
 &rst
  ixpk= 1994, nxpk= 25, iat=  -1,1336, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1354,1355,1356,
 &end
#
#   86 LEU  HB+          91 VAL  MGX         5.50    (#   1995:25  Unique         3.13, 5.87 A)
 &rst
  ixpk= 1995, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1250,1251,
 igr2=1338,1339,1340,1342,1343,1344,
 &end
#
#   77 ILE  HG1+          4 VAL  MGX         3.50    (#   1998:25  Unique         2.66, 4.78 A)
 &rst
  ixpk= 1998, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1141,1142,
 igr2=  71,  72,  73,  75,  76,  77,
 &end
#
#    0 AMB  25-2:2001    92 THR  HB          4.50    (#   2001:25  Single Ambig)
 &rst
  ixpk= 2001, nxpk= 25, iat=  -1,1352, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1348,1332,
 &end
#
#   89 GLU  HA           92 THR  HB          5.50    (#   2002:25  Unique         4.79, 5.24 A)
 &rst
  ixpk= 2002, nxpk= 25, iat=1295,1352, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   93 GLN  HB-          92 THR  MG2         5.50    (#   2003:25  Unique         5.78, 7.57 A)
 &rst
  ixpk= 2003, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1366,1367,
 igr2=1354,1355,1356,
 &end
#
#    0 AMB  25-2:2004    92 THR  MG2         4.50    (#   2004:25  Single Ambig)
 &rst
  ixpk= 2004, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=1369,1370,1283,1284,1300,1301,
 igr2=1354,1355,1356,
 &end
#
#   89 GLU  HA           92 THR  MG2         4.50    (#   2005:25  Unique         2.78, 4.15 A)
 &rst
  ixpk= 2005, nxpk= 25, iat=1295,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1354,1355,1356,
 &end
#
#    0 AMB  25-2:2007    92 THR  MG2         3.50    (#   2007:25  Single Ambig)
 &rst
  ixpk= 2007, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1348,1332,
 igr2=1354,1355,1356,
 &end
#
#   93 GLN  HN           93 GLN  HA          3.50    (#   2008:25  Unique         2.23, 2.53 A)
 &rst
  ixpk= 2008, nxpk= 25, iat=1362,1364, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   93 GLN  HE2-         93 GLN  HA          5.50    (#   2009:25  Unique         3.22, 3.59 A)
 &rst
  ixpk= 2009, nxpk= 25, iat=  -1,1364, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1374,1375,
 &end
#
#   93 GLN  HG-          93 GLN  HA          3.50    (#   2010:25  Unique         2.86, 3.55 A)
 &rst
  ixpk= 2010, nxpk= 25, iat=  -1,1364, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1369,1370,
 &end
#
#   93 GLN  HB-          93 GLN  HA          2.80    (#   2011:25  Unique         2.40, 2.74 A)
 &rst
  ixpk= 2011, nxpk= 25, iat=  -1,1364, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1366,1367,
 &end
#
#   76 VAL  MGX          93 GLN  HB+         4.50    (#   2012:25  Unique         3.60, 5.74 A)
 &rst
  ixpk= 2012, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1121,1122,1123,1125,1126,1127,
 igr2=1366,1367,
 &end
#
#   76 VAL  MGX          93 GLN  HB-         3.50    (#   2013:25  Unique         3.60, 5.74 A)
 &rst
  ixpk= 2013, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1121,1122,1123,1125,1126,1127,
 igr2=1366,1367,
 &end
#
#   93 GLN  HG-          93 GLN  HB+         3.50    (#   2014:25  Unique         2.31, 2.58 A)
 &rst
  ixpk= 2014, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1369,1370,
 igr2=1366,1367,
 &end
#
#   93 GLN  HA           93 GLN  HB+         3.50    (#   2015:25  Unique         2.40, 2.74 A)
 &rst
  ixpk= 2015, nxpk= 25, iat=1364,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1366,1367,
 &end
#
#   93 GLN  HA           93 GLN  HB-         3.50    (#   2016:25  Unique         2.40, 2.74 A)
 &rst
  ixpk= 2016, nxpk= 25, iat=1364,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1366,1367,
 &end
#
#   93 GLN  HN           93 GLN  HB+         3.50    (#   2019:25  Unique         2.18, 3.27 A)
 &rst
  ixpk= 2019, nxpk= 25, iat=1362,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1366,1367,
 &end
#
#   94 GLU  HN           93 GLN  HB+         3.50    (#   2020:25  Unique         2.17, 3.09 A)
 &rst
  ixpk= 2020, nxpk= 25, iat=1379,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1366,1367,
 &end
#
#   93 GLN  HN           93 GLN  HB-         3.50    (#   2021:25  Unique         2.18, 3.27 A)
 &rst
  ixpk= 2021, nxpk= 25, iat=1362,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1366,1367,
 &end
#
#   94 GLU  HN           93 GLN  HB-         3.50    (#   2022:25  Unique         2.17, 3.09 A)
 &rst
  ixpk= 2022, nxpk= 25, iat=1379,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1366,1367,
 &end
#
#   94 GLU  HN           93 GLN  HG+         5.50    (#   2023:25  Unique         4.01, 4.92 A)
 &rst
  ixpk= 2023, nxpk= 25, iat=1379,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1369,1370,
 &end
#
#   94 GLU  HN           93 GLN  HG-         5.50    (#   2024:25  Unique         4.01, 4.92 A)
 &rst
  ixpk= 2024, nxpk= 25, iat=1379,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1369,1370,
 &end
#
#   93 GLN  HN           93 GLN  HG+         4.50    (#   2025:25  Unique         1.88, 2.98 A)
 &rst
  ixpk= 2025, nxpk= 25, iat=1362,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1369,1370,
 &end
#
#   93 GLN  HN           93 GLN  HG-         4.50    (#   2026:25  Unique         1.88, 2.98 A)
 &rst
  ixpk= 2026, nxpk= 25, iat=1362,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1369,1370,
 &end
#
#   93 GLN  HE2+         93 GLN  HG-         3.50    (#   2027:25  Unique         2.21, 3.27 A)
 &rst
  ixpk= 2027, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1374,1375,
 igr2=1369,1370,
 &end
#
#   93 GLN  HE2+         93 GLN  HG+         3.50    (#   2028:25  Unique         2.21, 3.27 A)
 &rst
  ixpk= 2028, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1374,1375,
 igr2=1369,1370,
 &end
#
#   93 GLN  HE2-         93 GLN  HG+         4.50    (#   2029:25  Unique         2.21, 3.27 A)
 &rst
  ixpk= 2029, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1374,1375,
 igr2=1369,1370,
 &end
#
#   93 GLN  HE2-         93 GLN  HG-         3.50    (#   2030:25  Unique         2.21, 3.27 A)
 &rst
  ixpk= 2030, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1374,1375,
 igr2=1369,1370,
 &end
#
#   93 GLN  HA           93 GLN  HG+         4.50    (#   2031:25  Unique         2.86, 3.55 A)
 &rst
  ixpk= 2031, nxpk= 25, iat=1364,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1369,1370,
 &end
#
#   93 GLN  HB-          93 GLN  HG+         3.50    (#   2032:25  Unique         2.31, 2.58 A)
 &rst
  ixpk= 2032, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1366,1367,
 igr2=1369,1370,
 &end
#
#   76 VAL  MGX          93 GLN  HG+         3.50    (#   2033:25  Unique         2.16, 4.47 A)
 &rst
  ixpk= 2033, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1121,1122,1123,1125,1126,1127,
 igr2=1369,1370,
 &end
#
#   76 VAL  MGX          93 GLN  HG-         4.50    (#   2034:25  Unique         2.16, 4.47 A)
 &rst
  ixpk= 2034, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1121,1122,1123,1125,1126,1127,
 igr2=1369,1370,
 &end
#
#   76 VAL  MGY          93 GLN  HG-         4.50    (#   2035:25  Unique         2.16, 4.47 A)
 &rst
  ixpk= 2035, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1121,1122,1123,1125,1126,1127,
 igr2=1369,1370,
 &end
#
#  130 ILE  QG2         129 LYS  HB+         3.50    (#   2036:25  Unique         2.75, 4.68 A)
 &rst
  ixpk= 2036, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1978,1979,1980,
 igr2=1954,1955,
 &end
#
#   70 ALA  MB           93 GLN  HG-         5.50    (#   2037:25  Unique         3.78, 4.98 A)
 &rst
  ixpk= 2037, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1036,1037,1038,
 igr2=1369,1370,
 &end
#
#   70 ALA  MB           93 GLN  HG+         4.50    (#   2038:25  Unique         3.78, 4.98 A)
 &rst
  ixpk= 2038, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1036,1037,1038,
 igr2=1369,1370,
 &end
#
#   95 ILE  HG1-         94 GLU  HA          5.50    (#   2039:25  Unique         4.56, 5.12 A)
 &rst
  ixpk= 2039, nxpk= 25, iat=  -1,1381, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1404,1405,
 &end
#
#   95 ILE  HN           94 GLU  HA          3.50    (#   2040:25  Unique         3.56, 3.58 A)
 &rst
  ixpk= 2040, nxpk= 25, iat=1394,1381, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   94 GLU  HN           94 GLU  HB+         3.50    (#   2041:25  Unique         2.01, 2.58 A)
 &rst
  ixpk= 2041, nxpk= 25, iat=1379,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1383,1384,
 &end
#
#  118 GLN  HN          118 GLN  HB+         2.80    (#   2042:25  Unique         2.27, 3.04 A)
 &rst
  ixpk= 2042, nxpk= 25, iat=1763,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1767,1768,
 &end
#
#   95 ILE  HN           94 GLU  HB-         3.50    (#   2043:25  Unique         2.90, 3.56 A)
 &rst
  ixpk= 2043, nxpk= 25, iat=1394,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1383,1384,
 &end
#
#  118 GLN  HA          118 GLN  HB+         3.50    (#   2044:25  Unique         2.39, 2.75 A)
 &rst
  ixpk= 2044, nxpk= 25, iat=1765,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1767,1768,
 &end
#
#   94 GLU  HA           94 GLU  HB+         2.80    (#   2045:25  Unique         2.24, 2.64 A)
 &rst
  ixpk= 2045, nxpk= 25, iat=1381,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1383,1384,
 &end
#
#    0 AMB  25-2:2046     0 AMB  25-1:2046   3.50    (#   2046:25  Double Ambig)
 &rst
  ixpk= 2046, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1=1978,1979,1980,1407,1408,1409,
 igr2=1383,1384,1383,1384,
 &end
#
#   76 VAL  HN           95 ILE  HB          3.50    (#   2047:25  Unique         3.53, 3.57 A)
 &rst
  ixpk= 2047, nxpk= 25, iat=1115,1398, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   95 ILE  HN           95 ILE  HB          2.80    (#   2048:25  Unique         2.61, 2.70 A)
 &rst
  ixpk= 2048, nxpk= 25, iat=1394,1398, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   95 ILE  HA           95 ILE  HB          3.50    (#   2049:25  Unique         3.01, 3.03 A)
 &rst
  ixpk= 2049, nxpk= 25, iat=1396,1398, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  126 LEU  HB+          95 ILE  HB          5.50    (#   2050:25  Unique         5.75, 6.57 A)
 &rst
  ixpk= 2050, nxpk= 25, iat=  -1,1398, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1906,1907,
 &end
#
#    0 AMB  25-2:2051    95 ILE  HB          3.50    (#   2051:25  Single Ambig)
 &rst
  ixpk= 2051, nxpk= 25, iat=  -1,1398, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1386,1387,1383,1384,
 &end
#
#    0 AMB  25-2:2052    95 ILE  HB          3.50    (#   2052:25  Single Ambig)
 &rst
  ixpk= 2052, nxpk= 25, iat=  -1,1398, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
 igr1=1103,1437,1438,1440,1441,
 &end
#
#   95 ILE  HG1-         95 ILE  HB          2.80    (#   2053:25  Unique         2.40, 2.76 A)
 &rst
  ixpk= 2053, nxpk= 25, iat=  -1,1398, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1404,1405,
 &end
#
#   95 ILE  HG1+         95 ILE  HB          2.80    (#   2054:25  Unique         2.40, 2.76 A)
 &rst
  ixpk= 2054, nxpk= 25, iat=  -1,1398, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1404,1405,
 &end
#
#    0 AMB  25-2:2055     0 AMB  25-1:2055   3.50    (#   2055:25  Double Ambig)
 &rst
  ixpk= 2055, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1398,1960,1961,
 igr2=1404,1405,1404,1405,
 &end
#
#   94 GLU  HG-          95 ILE  HG1-        2.80    (#   2056:25  Unique         2.13, 3.64 A)
 &rst
  ixpk= 2056, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1386,1387,
 igr2=1404,1405,
 &end
#
#    0 AMB  25-2:2057     0 AMB  25-1:2057   2.80    (#   2057:25  Double Ambig)
 &rst
  ixpk= 2057, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1386,1387,1843,1844,
 igr2=1404,1405,1840,1841,
 &end
#
#   94 GLU  HG+          95 ILE  HG1+        4.50    (#   2059:25  Unique         2.13, 3.64 A)
 &rst
  ixpk= 2059, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1386,1387,
 igr2=1404,1405,
 &end
#
#   95 ILE  HA           95 ILE  HG1-        3.50    (#   2060:25  Unique         2.44, 2.82 A)
 &rst
  ixpk= 2060, nxpk= 25, iat=1396,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1404,1405,
 &end
#
#   95 ILE  HA           95 ILE  HG1+        3.50    (#   2061:25  Unique         2.44, 2.82 A)
 &rst
  ixpk= 2061, nxpk= 25, iat=1396,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1404,1405,
 &end
#
#   95 ILE  HN           95 ILE  HG1-        4.50    (#   2062:25  Unique         3.10, 3.75 A)
 &rst
  ixpk= 2062, nxpk= 25, iat=1394,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1404,1405,
 &end
#
#   95 ILE  HN           95 ILE  HG1+        5.50    (#   2063:25  Unique         3.10, 3.75 A)
 &rst
  ixpk= 2063, nxpk= 25, iat=1394,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1404,1405,
 &end
#
#    0 AMB  25-2:2064     0 AMB  25-1:2064   5.50    (#   2064:25  Double Ambig)
 &rst
  ixpk= 2064, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1413,1379,
 igr2=1404,1405,1404,1405,
 &end
#
#   95 ILE  HA           95 ILE  QD1         4.50    (#   2065:25  Unique         4.34, 4.71 A)
 &rst
  ixpk= 2065, nxpk= 25, iat=1396,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1407,1408,1409,
 &end
#
#  129 LYS  HE+          95 ILE  QD1         4.50    (#   2066:25  Unique         2.31, 4.88 A)
 &rst
  ixpk= 2066, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1963,1964,
 igr2=1407,1408,1409,
 &end
#
#  126 LEU  HB+          95 ILE  QD1         4.50    (#   2067:25  Unique         3.76, 5.41 A)
 &rst
  ixpk= 2067, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1906,1907,
 igr2=1407,1408,1409,
 &end
#
#   94 GLU  HG-          95 ILE  QD1         3.50    (#   2068:25  Unique         3.67, 4.86 A)
 &rst
  ixpk= 2068, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1386,1387,
 igr2=1407,1408,1409,
 &end
#
#   77 ILE  QD1          95 ILE  QG2         4.50    (#   2070:25  Unique         2.73, 3.94 A)
 &rst
  ixpk= 2070, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1=1144,1145,1146,
 igr2=1400,1401,1402,
 &end
#
#   95 ILE  HG1+         95 ILE  QG2         2.80    (#   2071:25  Unique         2.50, 3.56 A)
 &rst
  ixpk= 2071, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1404,1405,
 igr2=1400,1401,1402,
 &end
#
#   97 GLU  HG+          95 ILE  QG2         3.50    (#   2072:25  Unique         2.38, 4.04 A)
 &rst
  ixpk= 2072, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1440,1441,
 igr2=1400,1401,1402,
 &end
#
#   95 ILE  HA           95 ILE  QG2         2.80    (#   2073:25  Unique         2.63, 3.25 A)
 &rst
  ixpk= 2073, nxpk= 25, iat=1396,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1400,1401,1402,
 &end
#
#   96 PHE  HA           95 ILE  QG2         4.50    (#   2074:25  Unique         3.17, 4.31 A)
 &rst
  ixpk= 2074, nxpk= 25, iat=1415,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1400,1401,1402,
 &end
#
#   96 PHE  HN           95 ILE  QG2         3.50    (#   2075:25  Unique         2.86, 3.50 A)
 &rst
  ixpk= 2075, nxpk= 25, iat=1413,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1400,1401,1402,
 &end
#
#   96 PHE  HN           96 PHE  HA          3.50    (#   2076:25  Unique         2.91, 2.94 A)
 &rst
  ixpk= 2076, nxpk= 25, iat=1413,1415, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   96 PHE  HD           96 PHE  HA          2.80    (#   2077:25  Unique         2.12, 3.50 A)
 &rst
  ixpk= 2077, nxpk= 25, iat=  -1,1415, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1421,1429,
 &end
#
#   96 PHE  HB+          96 PHE  HA          3.50    (#   2078:25  Unique         2.31, 2.69 A)
 &rst
  ixpk= 2078, nxpk= 25, iat=  -1,1415, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1417,1418,
 &end
#
#   96 PHE  HB-          96 PHE  HA          3.50    (#   2079:25  Unique         2.31, 2.69 A)
 &rst
  ixpk= 2079, nxpk= 25, iat=  -1,1415, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1417,1418,
 &end
#
#   76 VAL  HB           96 PHE  HA          4.50    (#   2080:25  Unique         2.55, 2.94 A)
 &rst
  ixpk= 2080, nxpk= 25, iat=1119,1415, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   97 GLU  HB+          96 PHE  HA          4.50    (#   2081:25  Unique         4.03, 4.79 A)
 &rst
  ixpk= 2081, nxpk= 25, iat=  -1,1415, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1437,1438,
 &end
#
#    0 AMB  25-2:2082    96 PHE  HA          4.50    (#   2082:25  Single Ambig)
 &rst
  ixpk= 2082, nxpk= 25, iat=  -1,1415, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1=1400,1401,1402,1105,1106,1107,1109,1110,1111,
 &end
#
#   77 ILE  QD1          96 PHE  HA          5.50    (#   2083:25  Unique         4.03, 5.21 A)
 &rst
  ixpk= 2083, nxpk= 25, iat=  -1,1415, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1144,1145,1146,
 &end
#
#   91 VAL  HA           96 PHE  HB+         3.50    (#   2084:25  Unique         2.47, 3.26 A)
 &rst
  ixpk= 2084, nxpk= 25, iat=1334,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1417,1418,
 &end
#
#   91 VAL  HA           96 PHE  HB-         3.50    (#   2085:25  Unique         2.47, 3.26 A)
 &rst
  ixpk= 2085, nxpk= 25, iat=1334,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1417,1418,
 &end
#
#    0 AMB  25-2:2086    96 PHE  HB-         4.50    (#   2086:25  Single Ambig)
 &rst
  ixpk= 2086, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1396,1350,
 igr2=1417,1418,
 &end
#
#    0 AMB  25-2:2087     0 AMB  25-1:2087   5.50    (#   2087:25  Double Ambig)
 &rst
  ixpk= 2087, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1396,1350,
 igr2=1417,1418,1417,1418,
 &end
#
#   96 PHE  HA           96 PHE  HB+         3.50    (#   2088:25  Unique         2.31, 2.69 A)
 &rst
  ixpk= 2088, nxpk= 25, iat=1415,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1417,1418,
 &end
#
#   96 PHE  HA           96 PHE  HB-         3.50    (#   2089:25  Unique         2.31, 2.69 A)
 &rst
  ixpk= 2089, nxpk= 25, iat=1415,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1417,1418,
 &end
#
#   96 PHE  HD           96 PHE  HB+         2.80    (#   2090:25  Unique         2.34, 3.12 A)
 &rst
  ixpk= 2090, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1421,1429,
 igr2=1417,1418,
 &end
#
#   96 PHE  HD           96 PHE  HB-         2.80    (#   2091:25  Unique         2.34, 3.12 A)
 &rst
  ixpk= 2091, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1421,1429,
 igr2=1417,1418,
 &end
#
#   97 GLU  HN           96 PHE  HB+         5.50    (#   2092:25  Unique         4.08, 4.29 A)
 &rst
  ixpk= 2092, nxpk= 25, iat=1433,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1417,1418,
 &end
#
#   96 PHE  HN           96 PHE  HB+         3.50    (#   2093:25  Unique         2.76, 3.21 A)
 &rst
  ixpk= 2093, nxpk= 25, iat=1413,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1417,1418,
 &end
#
#   96 PHE  HN           96 PHE  HB-         3.50    (#   2094:25  Unique         2.76, 3.21 A)
 &rst
  ixpk= 2094, nxpk= 25, iat=1413,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1417,1418,
 &end
#
#   99 TRP  HE1          97 GLU  HA          5.50    (#   2095:25  Unique         5.03, 5.26 A)
 &rst
  ixpk= 2095, nxpk= 25, iat=1470,1435, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   97 GLU  HB+          97 GLU  HA          3.50    (#   2097:25  Unique         2.63, 2.87 A)
 &rst
  ixpk= 2097, nxpk= 25, iat=  -1,1435, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1437,1438,
 &end
#
#  127 ILE  QG2         128 ALA  HA          3.50    (#   2098:25  Unique         3.33, 4.26 A)
 &rst
  ixpk= 2098, nxpk= 25, iat=  -1,1942, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1927,1928,1929,
 &end
#
#   77 ILE  QG2          97 GLU  HB-         5.50    (#   2099:25  Unique         3.04, 4.99 A)
 &rst
  ixpk= 2099, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1137,1138,1139,
 igr2=1437,1438,
 &end
#
#   77 ILE  QG2          97 GLU  HB+         4.50    (#   2100:25  Unique         3.04, 4.99 A)
 &rst
  ixpk= 2100, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1137,1138,1139,
 igr2=1437,1438,
 &end
#
#   97 GLU  HA           97 GLU  HB-         3.50    (#   2101:25  Unique         2.63, 2.87 A)
 &rst
  ixpk= 2101, nxpk= 25, iat=1435,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1437,1438,
 &end
#
#   97 GLU  HA           97 GLU  HB+         3.50    (#   2102:25  Unique         2.63, 2.87 A)
 &rst
  ixpk= 2102, nxpk= 25, iat=1435,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1437,1438,
 &end
#
#   99 TRP  HD1          97 GLU  HB-         3.50    (#   2103:25  Unique         2.91, 3.93 A)
 &rst
  ixpk= 2103, nxpk= 25, iat=1468,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1437,1438,
 &end
#
#   99 TRP  HD1          97 GLU  HB+         4.50    (#   2104:25  Unique         2.91, 3.93 A)
 &rst
  ixpk= 2104, nxpk= 25, iat=1468,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1437,1438,
 &end
#
#   98 ASP  HN           97 GLU  HB-         3.50    (#   2105:25  Unique         2.28, 3.26 A)
 &rst
  ixpk= 2105, nxpk= 25, iat=1448,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1437,1438,
 &end
#
#   98 ASP  HN           97 GLU  HB+         5.50    (#   2106:25  Unique         2.28, 3.26 A)
 &rst
  ixpk= 2106, nxpk= 25, iat=1448,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1437,1438,
 &end
#
#   99 TRP  HE1          97 GLU  HB-         3.50    (#   2107:25  Unique         2.43, 3.10 A)
 &rst
  ixpk= 2107, nxpk= 25, iat=1470,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1437,1438,
 &end
#
#   99 TRP  HE1          97 GLU  HB+         3.50    (#   2108:25  Unique         2.43, 3.10 A)
 &rst
  ixpk= 2108, nxpk= 25, iat=1470,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1437,1438,
 &end
#
#   99 TRP  HE1          97 GLU  HG+         5.50    (#   2109:25  Unique         2.44, 3.97 A)
 &rst
  ixpk= 2109, nxpk= 25, iat=1470,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1440,1441,
 &end
#
#   99 TRP  HE1          97 GLU  HG-         5.50    (#   2110:25  Unique         2.44, 3.97 A)
 &rst
  ixpk= 2110, nxpk= 25, iat=1470,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1440,1441,
 &end
#
#  121 GLU  HN          121 GLU  HG-         3.50    (#   2111:25  Unique         2.04, 2.82 A)
 &rst
  ixpk= 2111, nxpk= 25, iat=1818,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1825,1826,
 &end
#
#   97 GLU  HN           97 GLU  HG-         4.50    (#   2112:25  Unique         3.62, 4.30 A)
 &rst
  ixpk= 2112, nxpk= 25, iat=1433,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1440,1441,
 &end
#
#   97 GLU  HA           97 GLU  HG+         3.50    (#   2113:25  Unique         2.33, 2.82 A)
 &rst
  ixpk= 2113, nxpk= 25, iat=1435,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1440,1441,
 &end
#
#   97 GLU  HA           97 GLU  HG-         3.50    (#   2114:25  Unique         2.33, 2.82 A)
 &rst
  ixpk= 2114, nxpk= 25, iat=1435,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1440,1441,
 &end
#
#   97 GLU  HB+          97 GLU  HG+         2.80    (#   2115:25  Unique         2.29, 2.69 A)
 &rst
  ixpk= 2115, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1437,1438,
 igr2=1440,1441,
 &end
#
#    0 AMB  25-2:2116     0 AMB  25-1:2116   2.80    (#   2116:25  Double Ambig)
 &rst
  ixpk= 2116, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.63, r4= 6.38,
 igr1=1400,1401,1402,1105,1106,1107,1109,1110,1111,1803,
      1804,
 igr2=1440,1441,1386,1387,1825,1826,
 &end
#
#   77 ILE  QD1          97 GLU  HG+         4.50    (#   2117:25  Unique         3.68, 4.81 A)
 &rst
  ixpk= 2117, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1144,1145,1146,
 igr2=1440,1441,
 &end
#
#   77 ILE  QD1          97 GLU  HG-         3.50    (#   2118:25  Unique         3.68, 4.81 A)
 &rst
  ixpk= 2118, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1144,1145,1146,
 igr2=1440,1441,
 &end
#
#   98 ASP  HB-          98 ASP  HA          3.50    (#   2119:25  Unique         2.40, 2.74 A)
 &rst
  ixpk= 2119, nxpk= 25, iat=  -1,1450, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1452,1453,
 &end
#
#  127 ILE  HN          126 LEU  HB+         3.50    (#   2120:25  Unique         2.92, 3.51 A)
 &rst
  ixpk= 2120, nxpk= 25, iat=1921,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1906,1907,
 &end
#
#   98 ASP  HN           98 ASP  HB-         3.50    (#   2121:25  Unique         2.82, 3.18 A)
 &rst
  ixpk= 2121, nxpk= 25, iat=1448,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1452,1453,
 &end
#
#   98 ASP  HN           98 ASP  HB+         2.80    (#   2122:25  Unique         2.82, 3.18 A)
 &rst
  ixpk= 2122, nxpk= 25, iat=1448,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1452,1453,
 &end
#
#   96 PHE  HD           98 ASP  HB-         5.50    (#   2123:25  Unique         4.78, 6.91 A)
 &rst
  ixpk= 2123, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1421,1429,
 igr2=1452,1453,
 &end
#
#   99 TRP  HZ2         126 LEU  HB+         3.50    (#   2124:25  Unique         2.06, 2.36 A)
 &rst
  ixpk= 2124, nxpk= 25, iat=1473,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1906,1907,
 &end
#
#   98 ASP  HA           98 ASP  HB-         3.50    (#   2125:25  Unique         2.40, 2.74 A)
 &rst
  ixpk= 2125, nxpk= 25, iat=1450,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1452,1453,
 &end
#
#   78 SER  HB+          98 ASP  HB+         3.50    (#   2126:25  Unique         2.33, 4.88 A)
 &rst
  ixpk= 2126, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1154,1155,
 igr2=1452,1453,
 &end
#
#  100 GLN  HA           98 ASP  HB+         5.50    (#   2127:25  Unique         5.66, 6.32 A)
 &rst
  ixpk= 2127, nxpk= 25, iat=1486,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1452,1453,
 &end
#
#  129 LYS  HB+         129 LYS  HE-         3.50    (#   2128:25  Unique         2.28, 4.11 A)
 &rst
  ixpk= 2128, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1954,1955,
 igr2=1963,1964,
 &end
#
#  126 LEU  MDY         126 LEU  HB+         3.50    (#   2129:25  Unique         2.26, 3.27 A)
 &rst
  ixpk= 2129, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1911,1912,1913,1915,1916,1917,
 igr2=1906,1907,
 &end
#
#   25 LEU  MDX         120 LYS  HE+         2.80    (#   2130:25  Unique         2.27, 4.75 A)
 &rst
  ixpk= 2130, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 403, 404, 405, 407, 408, 409,
 igr2=1809,1810,
 &end
#
#  120 LYS  HG-         120 LYS  HE+         3.50    (#   2131:25  Unique         2.65, 3.71 A)
 &rst
  ixpk= 2131, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1803,1804,
 igr2=1809,1810,
 &end
#
#  120 LYS  HG-         120 LYS  HE-         3.50    (#   2132:25  Unique         2.65, 3.71 A)
 &rst
  ixpk= 2132, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1803,1804,
 igr2=1809,1810,
 &end
#
#   25 LEU  MDX         120 LYS  HE-         3.50    (#   2133:25  Unique         2.27, 4.75 A)
 &rst
  ixpk= 2133, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 403, 404, 405, 407, 408, 409,
 igr2=1809,1810,
 &end
#
#    3 LYS  HB+           3 LYS  HE+         3.50    (#   2134:25  Unique         2.22, 2.89 A)
 &rst
  ixpk= 2134, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=  47,  48,
 igr2=  56,  57,
 &end
#
#  124 GLU  HA          120 LYS  HE-         5.50    (#   2135:25  Unique         6.18, 6.90 A)
 &rst
  ixpk= 2135, nxpk= 25, iat=1875,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1809,1810,
 &end
#
#   96 PHE  HD           98 ASP  HB+         5.50    (#   2136:25  Unique         4.78, 6.91 A)
 &rst
  ixpk= 2136, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1421,1429,
 igr2=1452,1453,
 &end
#
#   99 TRP  HN           99 TRP  HA          4.50    (#   2138:25  Unique         2.97, 2.99 A)
 &rst
  ixpk= 2138, nxpk= 25, iat=1460,1462, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  100 GLN  HN           99 TRP  HA          3.50    (#   2139:25  Unique         2.11, 2.19 A)
 &rst
  ixpk= 2139, nxpk= 25, iat=1484,1462, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  100 GLN  HE2-         99 TRP  HA          4.50    (#   2140:25  Unique         3.02, 4.37 A)
 &rst
  ixpk= 2140, nxpk= 25, iat=  -1,1462, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1496,1497,
 &end
#
#   99 TRP  HD1          99 TRP  HA          2.80    (#   2141:25  Unique         2.31, 2.40 A)
 &rst
  ixpk= 2141, nxpk= 25, iat=1468,1462, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   99 TRP  HB-          99 TRP  HA          3.50    (#   2142:25  Unique         2.41, 2.75 A)
 &rst
  ixpk= 2142, nxpk= 25, iat=  -1,1462, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1464,1465,
 &end
#
#   99 TRP  HB+          99 TRP  HA          3.50    (#   2143:25  Unique         2.41, 2.75 A)
 &rst
  ixpk= 2143, nxpk= 25, iat=  -1,1462, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1464,1465,
 &end
#
#    0 AMB  25-2:2144    99 TRP  HA          4.50    (#   2144:25  Single Ambig)
 &rst
  ixpk= 2144, nxpk= 25, iat=  -1,1462, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1843,1844,1488,1489,
 &end
#
#    0 AMB  25-2:2145    99 TRP  HB-         4.50    (#   2145:25  Single Ambig)
 &rst
  ixpk= 2145, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1=1510,1511,1512,1514,1515,1516,1170,1171,1172,1174,
      1175,1176,
 igr2=1464,1465,
 &end
#
#   79 LEU  MDY          99 TRP  HB-         4.50    (#   2146:25  Unique         2.25, 4.43 A)
 &rst
  ixpk= 2146, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1170,1171,1172,1174,1175,1176,
 igr2=1464,1465,
 &end
#
#  119 VAL  MGY          99 TRP  HB+         4.50    (#   2147:25  Unique         4.69, 6.65 A)
 &rst
  ixpk= 2147, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1786,1787,1788,1790,1791,1792,
 igr2=1464,1465,
 &end
#
#  101 LEU  HG           99 TRP  HB+         4.50    (#   2148:25  Unique         3.60, 4.87 A)
 &rst
  ixpk= 2148, nxpk= 25, iat=1508,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1464,1465,
 &end
#
#   99 TRP  HA           99 TRP  HB-         3.50    (#   2149:25  Unique         2.41, 2.75 A)
 &rst
  ixpk= 2149, nxpk= 25, iat=1462,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1464,1465,
 &end
#
#   99 TRP  HA           99 TRP  HB+         3.50    (#   2150:25  Unique         2.41, 2.75 A)
 &rst
  ixpk= 2150, nxpk= 25, iat=1462,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1464,1465,
 &end
#
#   99 TRP  HE3          99 TRP  HB-         4.50    (#   2151:25  Unique         2.59, 2.97 A)
 &rst
  ixpk= 2151, nxpk= 25, iat=1479,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1464,1465,
 &end
#
#   99 TRP  HE3          99 TRP  HB+         4.50    (#   2152:25  Unique         2.59, 2.97 A)
 &rst
  ixpk= 2152, nxpk= 25, iat=1479,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1464,1465,
 &end
#
#   99 TRP  HN           99 TRP  HB-         4.50    (#   2153:25  Unique         2.51, 3.18 A)
 &rst
  ixpk= 2153, nxpk= 25, iat=1460,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1464,1465,
 &end
#
#   99 TRP  HN           99 TRP  HB+         5.50    (#   2154:25  Unique         2.51, 3.18 A)
 &rst
  ixpk= 2154, nxpk= 25, iat=1460,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1464,1465,
 &end
#
#  101 LEU  HN          100 GLN  HA          3.50    (#   2155:25  Unique         2.40, 2.78 A)
 &rst
  ixpk= 2155, nxpk= 25, iat=1501,1486, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  100 GLN  HA          100 GLN  HG+         3.50    (#   2157:25  Unique         2.42, 3.48 A)
 &rst
  ixpk= 2157, nxpk= 25, iat=1486,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1491,1492,
 &end
#
#  100 GLN  HA          100 GLN  HG-         3.50    (#   2158:25  Unique         2.42, 3.48 A)
 &rst
  ixpk= 2158, nxpk= 25, iat=1486,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1491,1492,
 &end
#
#  100 GLN  HB-         101 LEU  HA          4.50    (#   2161:25  Unique         3.86, 5.15 A)
 &rst
  ixpk= 2161, nxpk= 25, iat=  -1,1503, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1488,1489,
 &end
#
#  101 LEU  HN          101 LEU  HA          3.50    (#   2162:25  Unique         2.21, 2.81 A)
 &rst
  ixpk= 2162, nxpk= 25, iat=1501,1503, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  102 GLU  HN          101 LEU  HB-         4.50    (#   2164:25  Unique         1.89, 3.07 A)
 &rst
  ixpk= 2164, nxpk= 25, iat=1520,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1505,1506,
 &end
#
#  102 GLU  HN          101 LEU  HB+         4.50    (#   2165:25  Unique         1.89, 3.07 A)
 &rst
  ixpk= 2165, nxpk= 25, iat=1520,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1505,1506,
 &end
#
#  101 LEU  HN          101 LEU  HB-         4.50    (#   2166:25  Unique         2.17, 3.08 A)
 &rst
  ixpk= 2166, nxpk= 25, iat=1501,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1505,1506,
 &end
#
#  101 LEU  HN          101 LEU  HB+         4.50    (#   2167:25  Unique         2.17, 3.08 A)
 &rst
  ixpk= 2167, nxpk= 25, iat=1501,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1505,1506,
 &end
#
#  101 LEU  HA          101 LEU  HB-         3.50    (#   2168:25  Unique         2.47, 2.84 A)
 &rst
  ixpk= 2168, nxpk= 25, iat=1503,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1505,1506,
 &end
#
#  101 LEU  HA          101 LEU  HB+         3.50    (#   2169:25  Unique         2.47, 2.84 A)
 &rst
  ixpk= 2169, nxpk= 25, iat=1503,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1505,1506,
 &end
#
#    0 AMB  25-2:2171     0 AMB  25-1:2171   2.80    (#   2171:25  Double Ambig)
 &rst
  ixpk= 2171, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.88, r4= 5.63,
 igr1=1508,1722,1723,1724,1726,1727,1728,
 igr2=1505,1506,1505,1506,
 &end
#
#    0 AMB  25-2:2172   101 LEU  HB-         2.80    (#   2172:25  Single Ambig)
 &rst
  ixpk= 2172, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.35, r4= 5.10,
 igr1=1508,1722,1723,1724,1726,1727,1728,
 igr2=1505,1506,
 &end
#
#  118 GLN  HB+         101 LEU  HG          3.50    (#   2174:25  Unique         2.53, 3.61 A)
 &rst
  ixpk= 2174, nxpk= 25, iat=  -1,1508, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1767,1768,
 &end
#
#   99 TRP  HB+         101 LEU  HG          5.50    (#   2175:25  Unique         3.60, 4.87 A)
 &rst
  ixpk= 2175, nxpk= 25, iat=  -1,1508, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1464,1465,
 &end
#
#  119 VAL  HA          101 LEU  HG          4.50    (#   2176:25  Unique         2.73, 3.05 A)
 &rst
  ixpk= 2176, nxpk= 25, iat=1782,1508, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   99 TRP  HE3         101 LEU  HG          5.50    (#   2177:25  Unique         4.60, 5.08 A)
 &rst
  ixpk= 2177, nxpk= 25, iat=1479,1508, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  119 VAL  HN          101 LEU  HG          4.50    (#   2178:25  Unique         3.45, 3.89 A)
 &rst
  ixpk= 2178, nxpk= 25, iat=1780,1508, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  102 GLU  HN          101 LEU  MDX         4.50    (#   2179:25  Unique         2.06, 4.54 A)
 &rst
  ixpk= 2179, nxpk= 25, iat=1520,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1510,1511,1512,1514,1515,1516,
 &end
#
#  118 GLN  HB+         101 LEU  MDX         3.50    (#   2180:25  Unique         2.21, 4.28 A)
 &rst
  ixpk= 2180, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1767,1768,
 igr2=1510,1511,1512,1514,1515,1516,
 &end
#
#  122 ARG  HD-         101 LEU  MDX         4.50    (#   2181:25  Unique         2.14, 4.28 A)
 &rst
  ixpk= 2181, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1843,1844,
 igr2=1510,1511,1512,1514,1515,1516,
 &end
#
#  118 GLN  HB-         101 LEU  MDX         2.80    (#   2182:25  Unique         2.21, 4.28 A)
 &rst
  ixpk= 2182, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1767,1768,
 igr2=1510,1511,1512,1514,1515,1516,
 &end
#
#  122 ARG  HG+         101 LEU  MDX         3.50    (#   2183:25  Unique         2.59, 5.05 A)
 &rst
  ixpk= 2183, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1840,1841,
 igr2=1510,1511,1512,1514,1515,1516,
 &end
#
#  102 GLU  HB-         102 GLU  HA          2.80    (#   2184:25  Unique         2.56, 2.82 A)
 &rst
  ixpk= 2184, nxpk= 25, iat=  -1,1522, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1524,1525,
 &end
#
#  103 ASP  HB-         102 GLU  HA          4.50    (#   2185:25  Unique         3.92, 4.38 A)
 &rst
  ixpk= 2185, nxpk= 25, iat=  -1,1522, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1539,1540,
 &end
#
#  103 ASP  HB+         102 GLU  HA          4.50    (#   2186:25  Unique         3.92, 4.38 A)
 &rst
  ixpk= 2186, nxpk= 25, iat=  -1,1522, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1539,1540,
 &end
#
#  102 GLU  HN          102 GLU  HA          2.80    (#   2187:25  Unique         2.19, 2.74 A)
 &rst
  ixpk= 2187, nxpk= 25, iat=1520,1522, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  102 GLU  HN          102 GLU  HB+         2.80    (#   2188:25  Unique         2.05, 2.96 A)
 &rst
  ixpk= 2188, nxpk= 25, iat=1520,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1524,1525,
 &end
#
#  102 GLU  HN          102 GLU  HB-         3.50    (#   2189:25  Unique         2.05, 2.96 A)
 &rst
  ixpk= 2189, nxpk= 25, iat=1520,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1524,1525,
 &end
#
#  103 ASP  HN          102 GLU  HB+         3.50    (#   2190:25  Unique         2.26, 3.40 A)
 &rst
  ixpk= 2190, nxpk= 25, iat=1535,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1524,1525,
 &end
#
#  103 ASP  HN          102 GLU  HB-         4.50    (#   2191:25  Unique         2.26, 3.40 A)
 &rst
  ixpk= 2191, nxpk= 25, iat=1535,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1524,1525,
 &end
#
#    0 AMB  25-2:2193   102 GLU  HB-         2.80    (#   2193:25  Single Ambig)
 &rst
  ixpk= 2193, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1522,1548,1549,
 igr2=1524,1525,
 &end
#
#  115 VAL  MGX         102 GLU  HB-         2.80    (#   2194:25  Unique         1.99, 3.86 A)
 &rst
  ixpk= 2194, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1722,1723,1724,1726,1727,1728,
 igr2=1524,1525,
 &end
#
#  111 VAL  MGX         102 GLU  HG+         4.50    (#   2195:25  Unique         3.00, 7.00 A)
 &rst
  ixpk= 2195, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1648,1649,1650,1652,1653,1654,
 igr2=1527,1528,
 &end
#
#  121 GLU  HN          121 GLU  HG+         3.50    (#   2197:25  Unique         2.04, 2.82 A)
 &rst
  ixpk= 2197, nxpk= 25, iat=1818,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1825,1826,
 &end
#
#  103 ASP  HN          102 GLU  HG+         3.50    (#   2198:25  Unique         3.55, 4.14 A)
 &rst
  ixpk= 2198, nxpk= 25, iat=1535,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1527,1528,
 &end
#
#  102 GLU  HN          102 GLU  HG+         3.50    (#   2199:25  Unique         2.32, 3.10 A)
 &rst
  ixpk= 2199, nxpk= 25, iat=1520,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1527,1528,
 &end
#
#  103 ASP  HN          103 ASP  HA          3.50    (#   2200:25  Unique         2.84, 2.93 A)
 &rst
  ixpk= 2200, nxpk= 25, iat=1535,1537, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:2202   103 ASP  HA          4.50    (#   2202:25  Single Ambig)
 &rst
  ixpk= 2202, nxpk= 25, iat=  -1,1537, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1557, 229,
 &end
#
#  103 ASP  HB+         103 ASP  HA          3.50    (#   2203:25  Unique         2.30, 2.70 A)
 &rst
  ixpk= 2203, nxpk= 25, iat=  -1,1537, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1539,1540,
 &end
#
#  103 ASP  HB-         103 ASP  HA          3.50    (#   2204:25  Unique         2.30, 2.70 A)
 &rst
  ixpk= 2204, nxpk= 25, iat=  -1,1537, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1539,1540,
 &end
#
#   10 ARG  HB-         103 ASP  HA          4.50    (#   2205:25  Unique         3.89, 4.81 A)
 &rst
  ixpk= 2205, nxpk= 25, iat=  -1,1537, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 171, 172,
 &end
#
#   10 ARG  HG+         103 ASP  HA          4.50    (#   2206:25  Unique         3.34, 5.17 A)
 &rst
  ixpk= 2206, nxpk= 25, iat=  -1,1537, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 174, 175,
 &end
#
#  104 PRO  HG+         103 ASP  HA          4.50    (#   2207:25  Unique         3.76, 4.13 A)
 &rst
  ixpk= 2207, nxpk= 25, iat=  -1,1537, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1551,1552,
 &end
#
#    0 AMB  25-2:2208   103 ASP  HA          4.50    (#   2208:25  Single Ambig)
 &rst
  ixpk= 2208, nxpk= 25, iat=  -1,1537, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1722,1723,1724,1726,1727,1728,1722,1723,1724,1726,
      1727,1728,
 &end
#
#  103 ASP  HA          103 ASP  HB+         3.50    (#   2209:25  Unique         2.30, 2.70 A)
 &rst
  ixpk= 2209, nxpk= 25, iat=1537,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1539,1540,
 &end
#
#  103 ASP  HA          103 ASP  HB-         3.50    (#   2210:25  Unique         2.30, 2.70 A)
 &rst
  ixpk= 2210, nxpk= 25, iat=1537,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1539,1540,
 &end
#
#  103 ASP  HN          103 ASP  HB+         2.80    (#   2211:25  Unique         2.16, 2.64 A)
 &rst
  ixpk= 2211, nxpk= 25, iat=1535,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1539,1540,
 &end
#
#  103 ASP  HN          103 ASP  HB-         3.50    (#   2212:25  Unique         2.16, 2.64 A)
 &rst
  ixpk= 2212, nxpk= 25, iat=1535,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1539,1540,
 &end
#
#  107 GLN  HE2+        104 PRO  HA          3.50    (#   2213:25  Unique         2.47, 4.29 A)
 &rst
  ixpk= 2213, nxpk= 25, iat=  -1,1557, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1592,1593,
 &end
#
#  107 GLN  HG+         104 PRO  HA          2.80    (#   2214:25  Unique         1.99, 2.62 A)
 &rst
  ixpk= 2214, nxpk= 25, iat=  -1,1557, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1587,1588,
 &end
#
#    0 AMB  25-2:2215   104 PRO  HA          2.80    (#   2215:25  Single Ambig)
 &rst
  ixpk= 2215, nxpk= 25, iat=  -1,1557, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1587,1588,1584,1585,
 &end
#
#  104 PRO  HB+         104 PRO  HA          2.80    (#   2216:25  Unique         2.26, 2.63 A)
 &rst
  ixpk= 2216, nxpk= 25, iat=  -1,1557, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1554,1555,
 &end
#
#  111 VAL  MGX         104 PRO  HA          3.50    (#   2217:25  Unique         2.48, 5.10 A)
 &rst
  ixpk= 2217, nxpk= 25, iat=  -1,1557, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1648,1649,1650,1652,1653,1654,
 &end
#
#   18 ALA  MB           15 SER  HA          3.50    (#   2218:25  Unique         2.47, 3.35 A)
 &rst
  ixpk= 2218, nxpk= 25, iat=  -1, 253, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 300, 301, 302,
 &end
#
#  104 PRO  HB-         104 PRO  HA          3.50    (#   2219:25  Unique         2.26, 2.63 A)
 &rst
  ixpk= 2219, nxpk= 25, iat=  -1,1557, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1554,1555,
 &end
#
#  112 PHE  HA          104 PRO  HB+         4.50    (#   2222:25  Unique         2.89, 4.10 A)
 &rst
  ixpk= 2222, nxpk= 25, iat=1660,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1554,1555,
 &end
#
#  104 PRO  HA          104 PRO  HB+         3.50    (#   2223:25  Unique         2.26, 2.63 A)
 &rst
  ixpk= 2223, nxpk= 25, iat=1557,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1554,1555,
 &end
#
#  112 PHE  HA          104 PRO  HB-         4.50    (#   2224:25  Unique         2.89, 4.10 A)
 &rst
  ixpk= 2224, nxpk= 25, iat=1660,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1554,1555,
 &end
#
#  104 PRO  HA          104 PRO  HB-         3.50    (#   2225:25  Unique         2.26, 2.63 A)
 &rst
  ixpk= 2225, nxpk= 25, iat=1557,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1554,1555,
 &end
#
#  104 PRO  HD+         104 PRO  HG+         3.50    (#   2227:25  Unique         2.20, 2.57 A)
 &rst
  ixpk= 2227, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1548,1549,
 igr2=1551,1552,
 &end
#
#  104 PRO  HD+         104 PRO  HG-         3.50    (#   2228:25  Unique         2.20, 2.57 A)
 &rst
  ixpk= 2228, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1548,1549,
 igr2=1551,1552,
 &end
#
#  104 PRO  HD-         104 PRO  HG+         3.50    (#   2229:25  Unique         2.20, 2.57 A)
 &rst
  ixpk= 2229, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1548,1549,
 igr2=1551,1552,
 &end
#
#  104 PRO  HD-         104 PRO  HG-         3.50    (#   2230:25  Unique         2.20, 2.57 A)
 &rst
  ixpk= 2230, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1548,1549,
 igr2=1551,1552,
 &end
#
#  104 PRO  HB-         104 PRO  HG+         3.50    (#   2231:25  Unique         2.37, 2.65 A)
 &rst
  ixpk= 2231, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1554,1555,
 igr2=1551,1552,
 &end
#
#  104 PRO  HB-         104 PRO  HG-         3.50    (#   2232:25  Unique         2.37, 2.65 A)
 &rst
  ixpk= 2232, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1554,1555,
 igr2=1551,1552,
 &end
#
#    0 AMB  25-2:2233     0 AMB  25-1:2233   3.50    (#   2233:25  Double Ambig)
 &rst
  ixpk= 2233, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
 igr1=1722,1723,1724,1726,1727,1728,1722,1723,1724,1726,
      1727,1728,
 igr2=1548,1549,1548,1549,
 &end
#
#  104 PRO  HG-         104 PRO  HD+         3.50    (#   2234:25  Unique         2.20, 2.57 A)
 &rst
  ixpk= 2234, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1551,1552,
 igr2=1548,1549,
 &end
#
#  115 VAL  MGY         104 PRO  HD-         3.50    (#   2235:25  Unique         3.45, 5.65 A)
 &rst
  ixpk= 2235, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1722,1723,1724,1726,1727,1728,
 igr2=1548,1549,
 &end
#
#  104 PRO  HG-         104 PRO  HD-         3.50    (#   2236:25  Unique         2.20, 2.57 A)
 &rst
  ixpk= 2236, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1551,1552,
 igr2=1548,1549,
 &end
#
#   10 ARG  HB-         104 PRO  HD+         4.50    (#   2237:25  Unique         2.87, 4.68 A)
 &rst
  ixpk= 2237, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 171, 172,
 igr2=1548,1549,
 &end
#
#    0 AMB  25-2:2238     0 AMB  25-1:2238   5.50    (#   2238:25  Double Ambig)
 &rst
  ixpk= 2238, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1= 174, 175,1524,1525,
 igr2=1548,1549,1548,1549,
 &end
#
#    0 AMB  25-2:2239   104 PRO  HD-         5.50    (#   2239:25  Single Ambig)
 &rst
  ixpk= 2239, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 174, 175,1524,1525,
 igr2=1548,1549,
 &end
#
#   10 ARG  HB-         104 PRO  HD-         4.50    (#   2240:25  Unique         2.87, 4.68 A)
 &rst
  ixpk= 2240, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 171, 172,
 igr2=1548,1549,
 &end
#
#  103 ASP  HA          104 PRO  HD+         3.50    (#   2241:25  Unique         1.90, 2.46 A)
 &rst
  ixpk= 2241, nxpk= 25, iat=1537,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1548,1549,
 &end
#
#  103 ASP  HA          104 PRO  HD-         2.80    (#   2242:25  Unique         1.90, 2.46 A)
 &rst
  ixpk= 2242, nxpk= 25, iat=1537,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1548,1549,
 &end
#
#  105 ASP  HN          104 PRO  HD-         4.50    (#   2245:25  Unique         2.39, 3.66 A)
 &rst
  ixpk= 2245, nxpk= 25, iat=1561,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1548,1549,
 &end
#
#  105 ASP  HN          105 ASP  HA          3.50    (#   2246:25  Unique         2.42, 2.71 A)
 &rst
  ixpk= 2246, nxpk= 25, iat=1561,1563, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:2247   105 ASP  HA          4.50    (#   2247:25  Single Ambig)
 &rst
  ixpk= 2247, nxpk= 25, iat=  -1,1563, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1575,1576,1557,
 &end
#
#    0 AMB  25-2:2249     0 AMB  25-1:2249   3.50    (#   2249:25  Double Ambig)
 &rst
  ixpk= 2249, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1068,1548,1549,
 igr2=  56,  57,1565,1566,
 &end
#
#  105 ASP  HA          105 ASP  HB-         3.50    (#   2250:25  Unique         2.43, 2.76 A)
 &rst
  ixpk= 2250, nxpk= 25, iat=1563,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1565,1566,
 &end
#
#  105 ASP  HN          105 ASP  HB+         2.80    (#   2251:25  Unique         2.27, 2.58 A)
 &rst
  ixpk= 2251, nxpk= 25, iat=1561,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1565,1566,
 &end
#
#  105 ASP  HN          105 ASP  HB-         2.80    (#   2252:25  Unique         2.27, 2.58 A)
 &rst
  ixpk= 2252, nxpk= 25, iat=1561,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1565,1566,
 &end
#
#  106 GLY  HN          106 GLY  HA+         3.50    (#   2253:25  Unique         2.25, 2.52 A)
 &rst
  ixpk= 2253, nxpk= 25, iat=1573,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1575,1576,
 &end
#
#  106 GLY  HN          106 GLY  HA-         3.50    (#   2254:25  Unique         2.25, 2.52 A)
 &rst
  ixpk= 2254, nxpk= 25, iat=1573,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1575,1576,
 &end
#
#  107 GLN  HN          106 GLY  HA-         4.50    (#   2255:25  Unique         2.58, 3.26 A)
 &rst
  ixpk= 2255, nxpk= 25, iat=1580,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1575,1576,
 &end
#
#    0 AMB  25-2:2260   108 SER  HA          4.50    (#   2260:25  Single Ambig)
 &rst
  ixpk= 2260, nxpk= 25, iat=  -1,1599, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1615,1612,1613,
 &end
#
#  107 GLN  HB+         108 SER  HA          4.50    (#   2261:25  Unique         4.31, 4.92 A)
 &rst
  ixpk= 2261, nxpk= 25, iat=  -1,1599, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1584,1585,
 &end
#
#  108 SER  HB-         108 SER  HA          3.50    (#   2262:25  Unique         2.37, 2.67 A)
 &rst
  ixpk= 2262, nxpk= 25, iat=  -1,1599, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1601,1602,
 &end
#
#  108 SER  HN          108 SER  HA          3.50    (#   2264:25  Unique         2.88, 2.90 A)
 &rst
  ixpk= 2264, nxpk= 25, iat=1597,1599, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  109 LEU  HN          108 SER  HB+         4.50    (#   2265:25  Unique         2.44, 3.16 A)
 &rst
  ixpk= 2265, nxpk= 25, iat=1608,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1601,1602,
 &end
#
#  108 SER  HN          108 SER  HB+         3.50    (#   2266:25  Unique         2.45, 3.09 A)
 &rst
  ixpk= 2266, nxpk= 25, iat=1597,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1601,1602,
 &end
#
#    0 AMB  25-2:2268     0 AMB  25-1:2268   4.50    (#   2268:25  Double Ambig)
 &rst
  ixpk= 2268, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1=1631,1632,1584,1585,
 igr2=1601,1602,1601,1602,
 &end
#
#    0 AMB  25-2:2269     0 AMB  25-1:2269   4.50    (#   2269:25  Double Ambig)
 &rst
  ixpk= 2269, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1612,1613,1615,
 igr2=1601,1602,1601,1602,
 &end
#
#   32 VAL  MGY          23 LYS  HA          2.80    (#   2270:25  Unique         2.17, 3.89 A)
 &rst
  ixpk= 2270, nxpk= 25, iat=  -1, 360, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 494, 495, 496, 498, 499, 500,
 &end
#
#  112 PHE  HB+         109 LEU  HA          2.80    (#   2271:25  Unique         2.26, 3.20 A)
 &rst
  ixpk= 2271, nxpk= 25, iat=  -1,1610, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1662,1663,
 &end
#
#  112 PHE  HB-         109 LEU  HA          3.50    (#   2272:25  Unique         2.26, 3.20 A)
 &rst
  ixpk= 2272, nxpk= 25, iat=  -1,1610, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1662,1663,
 &end
#
#  112 PHE  HN          109 LEU  HA          3.50    (#   2274:25  Unique         3.12, 3.27 A)
 &rst
  ixpk= 2274, nxpk= 25, iat=1658,1610, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  109 LEU  HN          109 LEU  HB+         3.50    (#   2275:25  Unique         2.45, 3.05 A)
 &rst
  ixpk= 2275, nxpk= 25, iat=1608,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1612,1613,
 &end
#
#  109 LEU  HN          109 LEU  HB-         4.50    (#   2276:25  Unique         2.45, 3.05 A)
 &rst
  ixpk= 2276, nxpk= 25, iat=1608,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1612,1613,
 &end
#
#  110 GLU  HN          109 LEU  HB+         4.50    (#   2277:25  Unique         2.76, 3.32 A)
 &rst
  ixpk= 2277, nxpk= 25, iat=1627,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1612,1613,
 &end
#
#  110 GLU  HN          109 LEU  HB-         5.50    (#   2278:25  Unique         2.76, 3.32 A)
 &rst
  ixpk= 2278, nxpk= 25, iat=1627,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1612,1613,
 &end
#
#    0 AMB  25-2:2280     0 AMB  25-1:2280   4.50    (#   2280:25  Double Ambig)
 &rst
  ixpk= 2280, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1=1601,1602,1599, 729,
 igr2=1612,1613,1612,1613,1612,1613,
 &end
#
#  109 LEU  HA          109 LEU  HB+         3.50    (#   2281:25  Unique         2.46, 2.77 A)
 &rst
  ixpk= 2281, nxpk= 25, iat=1610,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1612,1613,
 &end
#
#  109 LEU  HA          109 LEU  HB-         3.50    (#   2282:25  Unique         2.46, 2.77 A)
 &rst
  ixpk= 2282, nxpk= 25, iat=1610,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1612,1613,
 &end
#
#  109 LEU  MDY         109 LEU  HB-         3.50    (#   2284:25  Unique         2.41, 3.37 A)
 &rst
  ixpk= 2284, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1617,1618,1619,1621,1622,1623,
 igr2=1612,1613,
 &end
#
#  109 LEU  HA          109 LEU  HG          3.50    (#   2285:25  Unique         3.26, 3.31 A)
 &rst
  ixpk= 2285, nxpk= 25, iat=1610,1615, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  108 SER  HA          109 LEU  HG          5.50    (#   2286:25  Unique         4.03, 4.20 A)
 &rst
  ixpk= 2286, nxpk= 25, iat=1599,1615, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  109 LEU  HN          109 LEU  HG          3.50    (#   2287:25  Unique         2.34, 2.47 A)
 &rst
  ixpk= 2287, nxpk= 25, iat=1608,1615, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   49 MET  HG+         109 LEU  MDY         3.50    (#   2288:25  Unique         2.88, 5.16 A)
 &rst
  ixpk= 2288, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 734, 735,
 igr2=1617,1618,1619,1621,1622,1623,
 &end
#
#  112 PHE  HB+         109 LEU  MDY         3.50    (#   2289:25  Unique         3.64, 5.94 A)
 &rst
  ixpk= 2289, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1662,1663,
 igr2=1617,1618,1619,1621,1622,1623,
 &end
#
#  108 SER  HA          109 LEU  MDY         4.50    (#   2290:25  Unique         3.96, 5.99 A)
 &rst
  ixpk= 2290, nxpk= 25, iat=1599,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1617,1618,1619,1621,1622,1623,
 &end
#
#  112 PHE  HD          109 LEU  MDY         4.50    (#   2291:25  Unique         3.58, 6.79 A)
 &rst
  ixpk= 2291, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1666,1674,
 igr2=1617,1618,1619,1621,1622,1623,
 &end
#
#    0 AMB  25-2:2292   110 GLU  HA          2.80    (#   2292:25  Single Ambig)
 &rst
  ixpk= 2292, nxpk= 25, iat=  -1,1629, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1627,1702,
 &end
#
#    0 AMB  25-2:2294   110 GLU  HB-         2.80    (#   2294:25  Single Ambig)
 &rst
  ixpk= 2294, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1629,1601,1602,
 igr2=1631,1632,
 &end
#
#    0 AMB  25-2:2295     0 AMB  25-1:2295   2.80    (#   2295:25  Double Ambig)
 &rst
  ixpk= 2295, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1629,1601,1602,
 igr2=1631,1632,1631,1632,
 &end
#
#  111 VAL  HN          110 GLU  HB-         3.50    (#   2296:25  Unique         2.38, 3.11 A)
 &rst
  ixpk= 2296, nxpk= 25, iat=1642,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1631,1632,
 &end
#
#  111 VAL  HN          110 GLU  HB+         3.50    (#   2297:25  Unique         2.38, 3.11 A)
 &rst
  ixpk= 2297, nxpk= 25, iat=1642,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1631,1632,
 &end
#
#   52 GLU  HN           52 GLU  HG-         2.80    (#   2299:25  Unique         2.49, 3.01 A)
 &rst
  ixpk= 2299, nxpk= 25, iat= 776,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 783, 784,
 &end
#
#  113 ARG  HD+         110 GLU  HG+         3.50    (#   2301:25  Unique         3.64, 5.14 A)
 &rst
  ixpk= 2301, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1688,1689,
 igr2=1634,1635,
 &end
#
#    0 AMB  25-2:2302   111 VAL  HA          4.50    (#   2302:25  Single Ambig)
 &rst
  ixpk= 2302, nxpk= 25, iat=  -1,1644, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1631,1632,1584,1585,1587,1588,
 &end
#
#  111 VAL  HB          111 VAL  HA          3.50    (#   2303:25  Unique         3.02, 3.03 A)
 &rst
  ixpk= 2303, nxpk= 25, iat=1646,1644, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  110 GLU  HG+         111 VAL  HA          5.50    (#   2304:25  Unique         6.14, 6.31 A)
 &rst
  ixpk= 2304, nxpk= 25, iat=  -1,1644, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1634,1635,
 &end
#
#  111 VAL  HN          111 VAL  HA          3.50    (#   2305:25  Unique         2.87, 2.88 A)
 &rst
  ixpk= 2305, nxpk= 25, iat=1642,1644, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  112 PHE  HN          111 VAL  HA          4.50    (#   2306:25  Unique         3.58, 3.61 A)
 &rst
  ixpk= 2306, nxpk= 25, iat=1658,1644, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  114 THR  HN          111 VAL  HA          3.50    (#   2307:25  Unique         2.89, 3.06 A)
 &rst
  ixpk= 2307, nxpk= 25, iat=1702,1644, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  115 VAL  HN          111 VAL  HA          4.50    (#   2308:25  Unique         3.54, 3.60 A)
 &rst
  ixpk= 2308, nxpk= 25, iat=1716,1644, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  108 SER  HN          111 VAL  HB          3.50    (#   2309:25  Unique         3.15, 3.41 A)
 &rst
  ixpk= 2309, nxpk= 25, iat=1597,1646, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  112 PHE  HN          111 VAL  HB          3.50    (#   2310:25  Unique         2.70, 2.83 A)
 &rst
  ixpk= 2310, nxpk= 25, iat=1658,1646, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   68 PHE  HD           35 CYS  HB-         4.50    (#   2311:25  Unique         2.29, 4.23 A)
 &rst
  ixpk= 2311, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1006,1014,
 igr2= 533, 534,
 &end
#
#    0 AMB  25-2:2313     0 AMB  25-1:2313   2.80    (#   2313:25  Double Ambig)
 &rst
  ixpk= 2313, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1859,1557,
 igr2=1861,1646,
 &end
#
#  104 PRO  HA          111 VAL  MGX         3.50    (#   2315:25  Unique         2.48, 5.10 A)
 &rst
  ixpk= 2315, nxpk= 25, iat=1557,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1648,1649,1650,1652,1653,1654,
 &end
#
#  114 THR  HB          111 VAL  MGX         4.50    (#   2316:25  Unique         3.43, 4.86 A)
 &rst
  ixpk= 2316, nxpk= 25, iat=1706,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1648,1649,1650,1652,1653,1654,
 &end
#
#  111 VAL  HN          111 VAL  MGX         5.50    (#   2317:25  Unique         2.14, 3.87 A)
 &rst
  ixpk= 2317, nxpk= 25, iat=1642,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1648,1649,1650,1652,1653,1654,
 &end
#
#  107 GLN  HE2+        111 VAL  MGX         5.50    (#   2318:25  Unique         2.20, 3.96 A)
 &rst
  ixpk= 2318, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1592,1593,
 igr2=1648,1649,1650,1652,1653,1654,
 &end
#
#    0 AMB  25-2:2320   119 VAL  MGX         4.50    (#   2320:25  Single Ambig)
 &rst
  ixpk= 2320, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1833, 340,
 igr2=1786,1787,1788,1790,1791,1792,
 &end
#
#   21 PHE  HD          119 VAL  MGX         2.80    (#   2321:25  Unique         2.25, 6.44 A)
 &rst
  ixpk= 2321, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 336, 344,
 igr2=1786,1787,1788,1790,1791,1792,
 &end
#
#  119 VAL  HA          119 VAL  MGX         3.50    (#   2323:25  Unique         2.51, 3.18 A)
 &rst
  ixpk= 2323, nxpk= 25, iat=1782,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1786,1787,1788,1790,1791,1792,
 &end
#
#  104 PRO  HB-         112 PHE  HA          3.50    (#   2324:25  Unique         2.89, 4.10 A)
 &rst
  ixpk= 2324, nxpk= 25, iat=  -1,1660, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1554,1555,
 &end
#
#  111 VAL  MGX         112 PHE  HA          4.50    (#   2325:25  Unique         3.74, 5.87 A)
 &rst
  ixpk= 2325, nxpk= 25, iat=  -1,1660, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1648,1649,1650,1652,1653,1654,
 &end
#
#    0 AMB  25-2:2326   112 PHE  HA          3.50    (#   2326:25  Single Ambig)
 &rst
  ixpk= 2326, nxpk= 25, iat=  -1,1660, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1722,1723,1724,1726,1727,1728,1554,1555,
 &end
#
#  104 PRO  HG-         112 PHE  HA          4.50    (#   2327:25  Unique         3.96, 4.76 A)
 &rst
  ixpk= 2327, nxpk= 25, iat=  -1,1660, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1551,1552,
 &end
#
#  112 PHE  HB-         112 PHE  HA          3.50    (#   2329:25  Unique         2.53, 2.82 A)
 &rst
  ixpk= 2329, nxpk= 25, iat=  -1,1660, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1662,1663,
 &end
#
#  112 PHE  HB+         112 PHE  HA          3.50    (#   2330:25  Unique         2.53, 2.82 A)
 &rst
  ixpk= 2330, nxpk= 25, iat=  -1,1660, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1662,1663,
 &end
#
#  112 PHE  HD          112 PHE  HA          3.50    (#   2331:25  Unique         2.77, 3.51 A)
 &rst
  ixpk= 2331, nxpk= 25, iat=  -1,1660, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1666,1674,
 &end
#
#  112 PHE  HN          112 PHE  HA          3.50    (#   2332:25  Unique         2.79, 2.83 A)
 &rst
  ixpk= 2332, nxpk= 25, iat=1658,1660, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:2333   112 PHE  HA          3.50    (#   2333:25  Single Ambig)
 &rst
  ixpk= 2333, nxpk= 25, iat=  -1,1660, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1678,1732,
 &end
#
#  113 ARG  HN          112 PHE  HB+         3.50    (#   2334:25  Unique         2.57, 2.98 A)
 &rst
  ixpk= 2334, nxpk= 25, iat=1678,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1662,1663,
 &end
#
#  113 ARG  HN          112 PHE  HB-         3.50    (#   2335:25  Unique         2.57, 2.98 A)
 &rst
  ixpk= 2335, nxpk= 25, iat=1678,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1662,1663,
 &end
#
#  112 PHE  HN          112 PHE  HB-         3.50    (#   2336:25  Unique         2.19, 2.98 A)
 &rst
  ixpk= 2336, nxpk= 25, iat=1658,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1662,1663,
 &end
#
#  112 PHE  HN          112 PHE  HB+         3.50    (#   2337:25  Unique         2.19, 2.98 A)
 &rst
  ixpk= 2337, nxpk= 25, iat=1658,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1662,1663,
 &end
#
#  112 PHE  HD          112 PHE  HB+         3.50    (#   2338:25  Unique         2.28, 3.08 A)
 &rst
  ixpk= 2338, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1666,1674,
 igr2=1662,1663,
 &end
#
#  109 LEU  HA          112 PHE  HB+         3.50    (#   2339:25  Unique         2.26, 3.20 A)
 &rst
  ixpk= 2339, nxpk= 25, iat=1610,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1662,1663,
 &end
#
#  109 LEU  HA          112 PHE  HB-         3.50    (#   2340:25  Unique         2.26, 3.20 A)
 &rst
  ixpk= 2340, nxpk= 25, iat=1610,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1662,1663,
 &end
#
#  112 PHE  HA          112 PHE  HB+         3.50    (#   2341:25  Unique         2.53, 2.82 A)
 &rst
  ixpk= 2341, nxpk= 25, iat=1660,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1662,1663,
 &end
#
#  112 PHE  HA          112 PHE  HB-         3.50    (#   2342:25  Unique         2.53, 2.82 A)
 &rst
  ixpk= 2342, nxpk= 25, iat=1660,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1662,1663,
 &end
#
#   49 MET  HG+         112 PHE  HB+         3.50    (#   2343:25  Unique         2.04, 3.13 A)
 &rst
  ixpk= 2343, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 734, 735,
 igr2=1662,1663,
 &end
#
#   49 MET  HG+         112 PHE  HB-         2.80    (#   2344:25  Unique         2.04, 3.13 A)
 &rst
  ixpk= 2344, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 734, 735,
 igr2=1662,1663,
 &end
#
#   49 MET  HB+         112 PHE  HB-         4.50    (#   2345:25  Unique         2.77, 4.00 A)
 &rst
  ixpk= 2345, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 731, 732,
 igr2=1662,1663,
 &end
#
#   49 MET  ME          112 PHE  HB+         3.50    (#   2346:25  Unique         4.02, 4.96 A)
 &rst
  ixpk= 2346, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 738, 739, 740,
 igr2=1662,1663,
 &end
#
#  109 LEU  MDY         112 PHE  HB+         4.50    (#   2347:25  Unique         3.64, 5.94 A)
 &rst
  ixpk= 2347, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1617,1618,1619,1621,1622,1623,
 igr2=1662,1663,
 &end
#
#  109 LEU  MDY         112 PHE  HB-         5.50    (#   2348:25  Unique         3.64, 5.94 A)
 &rst
  ixpk= 2348, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1617,1618,1619,1621,1622,1623,
 igr2=1662,1663,
 &end
#
#   45 THR  MG2         112 PHE  HB+         4.50    (#   2349:25  Unique         3.26, 4.91 A)
 &rst
  ixpk= 2349, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 680, 681, 682,
 igr2=1662,1663,
 &end
#
#   45 THR  MG2         112 PHE  HB-         5.50    (#   2350:25  Unique         3.26, 4.91 A)
 &rst
  ixpk= 2350, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 680, 681, 682,
 igr2=1662,1663,
 &end
#
#  113 ARG  HG+         113 ARG  HA          3.50    (#   2351:25  Unique         2.62, 3.09 A)
 &rst
  ixpk= 2351, nxpk= 25, iat=  -1,1680, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1685,1686,
 &end
#
#  116 ARG  HB+         113 ARG  HA          2.80    (#   2352:25  Unique         2.87, 3.65 A)
 &rst
  ixpk= 2352, nxpk= 25, iat=  -1,1680, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1736,1737,
 &end
#
#    0 AMB  25-2:2353     0 AMB  25-1:2353   2.80    (#   2353:25  Double Ambig)
 &rst
  ixpk= 2353, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1873,1678,
 igr2=1877,1878,1682,1683,
 &end
#
#  114 THR  HN          113 ARG  HB+         3.50    (#   2354:25  Unique         2.43, 3.22 A)
 &rst
  ixpk= 2354, nxpk= 25, iat=1702,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1682,1683,
 &end
#
#  113 ARG  HD+         113 ARG  HB+         2.80    (#   2355:25  Unique         2.39, 2.94 A)
 &rst
  ixpk= 2355, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1688,1689,
 igr2=1682,1683,
 &end
#
#  113 ARG  HG+         113 ARG  HB+         2.80    (#   2356:25  Unique         2.20, 2.76 A)
 &rst
  ixpk= 2356, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1685,1686,
 igr2=1682,1683,
 &end
#
#    0 AMB  25-2:2357   114 THR  HA          3.50    (#   2357:25  Single Ambig)
 &rst
  ixpk= 2357, nxpk= 25, iat=  -1,1704, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1739,1740,1682,1683,1767,1768,
 &end
#
#  114 THR  HB          114 THR  HA          3.50    (#   2358:25  Unique         3.05, 3.05 A)
 &rst
  ixpk= 2358, nxpk= 25, iat=1706,1704, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:2360   114 THR  HA          4.50    (#   2360:25  Single Ambig)
 &rst
  ixpk= 2360, nxpk= 25, iat=  -1,1704, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1756,1763,
 &end
#
#  114 THR  HN          114 THR  HA          3.50    (#   2361:25  Unique         2.83, 2.86 A)
 &rst
  ixpk= 2361, nxpk= 25, iat=1702,1704, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  115 VAL  HN          114 THR  HA          4.50    (#   2362:25  Unique         3.56, 3.59 A)
 &rst
  ixpk= 2362, nxpk= 25, iat=1716,1704, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  115 VAL  HN          114 THR  HB          3.50    (#   2363:25  Unique         2.71, 2.77 A)
 &rst
  ixpk= 2363, nxpk= 25, iat=1716,1706, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  114 THR  HN          114 THR  HB          3.50    (#   2364:25  Unique         2.44, 2.50 A)
 &rst
  ixpk= 2364, nxpk= 25, iat=1702,1706, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  114 THR  HA          114 THR  HB          3.50    (#   2366:25  Unique         3.05, 3.05 A)
 &rst
  ixpk= 2366, nxpk= 25, iat=1704,1706, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  111 VAL  HA          114 THR  HB          2.80    (#   2367:25  Unique         2.25, 2.43 A)
 &rst
  ixpk= 2367, nxpk= 25, iat=1644,1706, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  25-2:2368   114 THR  HB          5.50    (#   2368:25  Single Ambig)
 &rst
  ixpk= 2368, nxpk= 25, iat=  -1,1706, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1=1682,1683,1720,1767,1768,
 &end
#
#  115 VAL  MGY         114 THR  HB          3.50    (#   2369:25  Unique         3.40, 5.68 A)
 &rst
  ixpk= 2369, nxpk= 25, iat=  -1,1706, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1722,1723,1724,1726,1727,1728,
 &end
#
#  111 VAL  MGX         114 THR  HB          4.50    (#   2370:25  Unique         3.43, 4.86 A)
 &rst
  ixpk= 2370, nxpk= 25, iat=  -1,1706, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1648,1649,1650,1652,1653,1654,
 &end
#
#  118 GLN  HG-         114 THR  MG2         3.50    (#   2372:25  Unique         2.48, 4.31 A)
 &rst
  ixpk= 2372, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1770,1771,
 igr2=1708,1709,1710,
 &end
#
#  118 GLN  HG+         114 THR  MG2         3.50    (#   2373:25  Unique         2.48, 4.31 A)
 &rst
  ixpk= 2373, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1770,1771,
 igr2=1708,1709,1710,
 &end
#
#  102 GLU  HB+         114 THR  MG2         5.50    (#   2374:25  Unique         4.77, 6.79 A)
 &rst
  ixpk= 2374, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1524,1525,
 igr2=1708,1709,1710,
 &end
#
#  110 GLU  HB+         114 THR  MG2         5.50    (#   2375:25  Unique         6.05, 7.34 A)
 &rst
  ixpk= 2375, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1631,1632,
 igr2=1708,1709,1710,
 &end
#
#  111 VAL  HA          114 THR  MG2         4.50    (#   2376:25  Unique         4.26, 4.87 A)
 &rst
  ixpk= 2376, nxpk= 25, iat=1644,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1708,1709,1710,
 &end
#
#  118 GLN  HE2+        114 THR  MG2         3.50    (#   2377:25  Unique         2.23, 3.81 A)
 &rst
  ixpk= 2377, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1775,1776,
 igr2=1708,1709,1710,
 &end
#
#    0 AMB  25-2:2379   115 VAL  HA          3.50    (#   2379:25  Single Ambig)
 &rst
  ixpk= 2379, nxpk= 25, iat=  -1,1718, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1763,1756,
 &end
#
#  118 GLN  HB+         115 VAL  HA          3.50    (#   2380:25  Unique         2.74, 3.79 A)
 &rst
  ixpk= 2380, nxpk= 25, iat=  -1,1718, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1767,1768,
 &end
#
#  102 GLU  HB+         115 VAL  HA          3.50    (#   2382:25  Unique         3.19, 4.37 A)
 &rst
  ixpk= 2382, nxpk= 25, iat=  -1,1718, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1524,1525,
 &end
#
#  114 THR  MG2         115 VAL  HA          3.50    (#   2383:25  Unique         3.59, 4.69 A)
 &rst
  ixpk= 2383, nxpk= 25, iat=  -1,1718, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1708,1709,1710,
 &end
#
#    0 AMB  25-2:2384     0 AMB  25-1:2384   4.50    (#   2384:25  Double Ambig)
 &rst
  ixpk= 2384, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.07, r4= 7.82,
 igr1=1551,1552,1354,1355,1356,
 igr2=1720,1286,1287,
 &end
#
#  116 ARG  HN          115 VAL  HB          2.80    (#   2385:25  Unique         2.45, 2.71 A)
 &rst
  ixpk= 2385, nxpk= 25, iat=1732,1720, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  104 PRO  HD+         115 VAL  MGX         3.50    (#   2386:25  Unique         3.45, 5.65 A)
 &rst
  ixpk= 2386, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1548,1549,
 igr2=1722,1723,1724,1726,1727,1728,
 &end
#
#    0 AMB  25-2:2387   115 VAL  MGX         3.50    (#   2387:25  Single Ambig)
 &rst
  ixpk= 2387, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1767,1768,1784,
 igr2=1722,1723,1724,1726,1727,1728,
 &end
#
#  102 GLU  HG+         115 VAL  MGX         3.50    (#   2388:25  Unique         2.44, 5.77 A)
 &rst
  ixpk= 2388, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1527,1528,
 igr2=1722,1723,1724,1726,1727,1728,
 &end
#
#  102 GLU  HG+         115 VAL  MGY         3.50    (#   2389:25  Unique         2.44, 5.77 A)
 &rst
  ixpk= 2389, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1527,1528,
 igr2=1722,1723,1724,1726,1727,1728,
 &end
#
#  104 PRO  HD+         115 VAL  MGY         3.50    (#   2390:25  Unique         3.45, 5.65 A)
 &rst
  ixpk= 2390, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1548,1549,
 igr2=1722,1723,1724,1726,1727,1728,
 &end
#
#  114 THR  HB          115 VAL  MGY         4.50    (#   2391:25  Unique         3.40, 5.68 A)
 &rst
  ixpk= 2391, nxpk= 25, iat=1706,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1722,1723,1724,1726,1727,1728,
 &end
#
#  115 VAL  HA          115 VAL  MGY         2.80    (#   2392:25  Unique         2.28, 3.15 A)
 &rst
  ixpk= 2392, nxpk= 25, iat=1718,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1722,1723,1724,1726,1727,1728,
 &end
#
#    0 AMB  25-2:2394   115 VAL  MGY         4.50    (#   2394:25  Single Ambig)
 &rst
  ixpk= 2394, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1520,1780,
 igr2=1722,1723,1724,1726,1727,1728,
 &end
#
#  116 ARG  HN          116 ARG  HA          3.50    (#   2395:25  Unique         2.74, 2.79 A)
 &rst
  ixpk= 2395, nxpk= 25, iat=1732,1734, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   21 PHE  HE          116 ARG  HA          4.50    (#   2396:25  Unique         2.37, 4.72 A)
 &rst
  ixpk= 2396, nxpk= 25, iat=  -1,1734, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 338, 342,
 &end
#
#  119 VAL  HB          116 ARG  HA          2.80    (#   2397:25  Unique         2.55, 2.72 A)
 &rst
  ixpk= 2397, nxpk= 25, iat=1784,1734, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  25-2:2398   116 ARG  HA          2.80    (#   2398:25  Single Ambig)
 &rst
  ixpk= 2398, nxpk= 25, iat=  -1,1734, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1739,1740, 283, 284,
 &end
#
#    0 AMB  25-2:2399   116 ARG  HA          3.50    (#   2399:25  Single Ambig)
 &rst
  ixpk= 2399, nxpk= 25, iat=  -1,1734, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1722,1723,1724,1726,1727,1728,1722,1723,1724,1726,
      1727,1728,
 &end
#
#  119 VAL  MGY         116 ARG  HA          3.50    (#   2400:25  Unique         3.25, 4.44 A)
 &rst
  ixpk= 2400, nxpk= 25, iat=  -1,1734, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1786,1787,1788,1790,1791,1792,
 &end
#
#  113 ARG  HA          116 ARG  HB+         3.50    (#   2403:25  Unique         2.87, 3.65 A)
 &rst
  ixpk= 2403, nxpk= 25, iat=1680,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1736,1737,
 &end
#
#  113 ARG  HA          116 ARG  HB-         3.50    (#   2404:25  Unique         2.87, 3.65 A)
 &rst
  ixpk= 2404, nxpk= 25, iat=1680,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1736,1737,
 &end
#
#  116 ARG  HA          116 ARG  HB-         3.50    (#   2405:25  Unique         2.18, 2.52 A)
 &rst
  ixpk= 2405, nxpk= 25, iat=1734,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1736,1737,
 &end
#
#  117 GLY  HN          116 ARG  HB+         3.50    (#   2407:25  Unique         3.34, 3.85 A)
 &rst
  ixpk= 2407, nxpk= 25, iat=1756,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1736,1737,
 &end
#
#  117 GLY  HN          116 ARG  HB-         4.50    (#   2408:25  Unique         3.34, 3.85 A)
 &rst
  ixpk= 2408, nxpk= 25, iat=1756,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1736,1737,
 &end
#
#  116 ARG  HN          116 ARG  HB+         3.50    (#   2409:25  Unique         1.96, 2.61 A)
 &rst
  ixpk= 2409, nxpk= 25, iat=1732,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1736,1737,
 &end
#
#  116 ARG  HN          116 ARG  HB-         3.50    (#   2410:25  Unique         1.96, 2.61 A)
 &rst
  ixpk= 2410, nxpk= 25, iat=1732,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1736,1737,
 &end
#
#  116 ARG  HG-         117 GLY  HA+         4.50    (#   2411:25  Unique         3.28, 3.78 A)
 &rst
  ixpk= 2411, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1739,1740,
 igr2=1758,1759,
 &end
#
#    0 AMB  25-2:2412   117 GLY  HA-         5.50    (#   2412:25  Single Ambig)
 &rst
  ixpk= 2412, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1739,1740,1767,1768,
 igr2=1758,1759,
 &end
#
#  120 LYS  HB+         117 GLY  HA+         3.50    (#   2413:25  Unique         2.26, 4.47 A)
 &rst
  ixpk= 2413, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1800,1801,
 igr2=1758,1759,
 &end
#
#  120 LYS  HB+         117 GLY  HA-         3.50    (#   2414:25  Unique         2.26, 4.47 A)
 &rst
  ixpk= 2414, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1800,1801,
 igr2=1758,1759,
 &end
#
#  120 LYS  HB-         117 GLY  HA+         4.50    (#   2415:25  Unique         2.26, 4.47 A)
 &rst
  ixpk= 2415, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1800,1801,
 igr2=1758,1759,
 &end
#
#  120 LYS  HB-         117 GLY  HA-         4.50    (#   2416:25  Unique         2.26, 4.47 A)
 &rst
  ixpk= 2416, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1800,1801,
 igr2=1758,1759,
 &end
#
#  121 GLU  HN          118 GLN  HA          4.50    (#   2418:25  Unique         2.89, 3.71 A)
 &rst
  ixpk= 2418, nxpk= 25, iat=1818,1765, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  119 VAL  HN          118 GLN  HA          3.50    (#   2419:25  Unique         3.51, 3.52 A)
 &rst
  ixpk= 2419, nxpk= 25, iat=1780,1765, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  119 VAL  HN          118 GLN  HB+         4.50    (#   2420:25  Unique         2.58, 3.32 A)
 &rst
  ixpk= 2420, nxpk= 25, iat=1780,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1767,1768,
 &end
#
#  120 LYS  HG+         118 GLN  HG+         5.50    (#   2421:25  Unique         6.36, 7.34 A)
 &rst
  ixpk= 2421, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1803,1804,
 igr2=1770,1771,
 &end
#
#  120 LYS  HG+         118 GLN  HG-         5.50    (#   2422:25  Unique         6.36, 7.34 A)
 &rst
  ixpk= 2422, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1803,1804,
 igr2=1770,1771,
 &end
#
#  114 THR  MG2         118 GLN  HG-         3.50    (#   2423:25  Unique         2.48, 4.31 A)
 &rst
  ixpk= 2423, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1708,1709,1710,
 igr2=1770,1771,
 &end
#
#  114 THR  MG2         118 GLN  HG+         3.50    (#   2424:25  Unique         2.48, 4.31 A)
 &rst
  ixpk= 2424, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1708,1709,1710,
 igr2=1770,1771,
 &end
#
#  118 GLN  HB-         118 GLN  HG+         2.80    (#   2425:25  Unique         2.31, 2.76 A)
 &rst
  ixpk= 2425, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1767,1768,
 igr2=1770,1771,
 &end
#
#  115 VAL  HA          118 GLN  HG+         3.50    (#   2428:25  Unique         2.72, 4.08 A)
 &rst
  ixpk= 2428, nxpk= 25, iat=1718,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1770,1771,
 &end
#
#    0 AMB  25-2:2429     0 AMB  25-1:2429   3.50    (#   2429:25  Double Ambig)
 &rst
  ixpk= 2429, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 281,1718,
 igr2= 283, 284,1770,1771,
 &end
#
#  118 GLN  HA          118 GLN  HG-         2.80    (#   2430:25  Unique         2.22, 2.84 A)
 &rst
  ixpk= 2430, nxpk= 25, iat=1765,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1770,1771,
 &end
#
#  118 GLN  HA          118 GLN  HG+         3.50    (#   2431:25  Unique         2.22, 2.84 A)
 &rst
  ixpk= 2431, nxpk= 25, iat=1765,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1770,1771,
 &end
#
#  118 GLN  HE2-        118 GLN  HG+         4.50    (#   2432:25  Unique         2.21, 3.23 A)
 &rst
  ixpk= 2432, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1775,1776,
 igr2=1770,1771,
 &end
#
#  118 GLN  HE2-        118 GLN  HG-         4.50    (#   2433:25  Unique         2.21, 3.23 A)
 &rst
  ixpk= 2433, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1775,1776,
 igr2=1770,1771,
 &end
#
#  118 GLN  HE2+        118 GLN  HG+         3.50    (#   2434:25  Unique         2.21, 3.23 A)
 &rst
  ixpk= 2434, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1775,1776,
 igr2=1770,1771,
 &end
#
#  118 GLN  HE2+        118 GLN  HG-         3.50    (#   2435:25  Unique         2.21, 3.23 A)
 &rst
  ixpk= 2435, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1775,1776,
 igr2=1770,1771,
 &end
#
#  118 GLN  HN          118 GLN  HG+         3.50    (#   2436:25  Unique         1.85, 2.77 A)
 &rst
  ixpk= 2436, nxpk= 25, iat=1763,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1770,1771,
 &end
#
#  118 GLN  HN          118 GLN  HG-         3.50    (#   2437:25  Unique         1.85, 2.77 A)
 &rst
  ixpk= 2437, nxpk= 25, iat=1763,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1770,1771,
 &end
#
#    0 AMB  25-2:2438     0 AMB  25-1:2438   5.50    (#   2438:25  Double Ambig)
 &rst
  ixpk= 2438, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1780,1520,
 igr2=1770,1771,1770,1771,
 &end
#
#  119 VAL  HN          119 VAL  HA          3.50    (#   2439:25  Unique         2.86, 2.89 A)
 &rst
  ixpk= 2439, nxpk= 25, iat=1780,1782, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  120 LYS  HN          119 VAL  HA          4.50    (#   2440:25  Unique         3.54, 3.57 A)
 &rst
  ixpk= 2440, nxpk= 25, iat=1796,1782, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  122 ARG  HN          119 VAL  HA          3.50    (#   2441:25  Unique         3.19, 3.43 A)
 &rst
  ixpk= 2441, nxpk= 25, iat=1833,1782, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   99 TRP  HZ3         119 VAL  HA          5.50    (#   2442:25  Unique         4.61, 4.92 A)
 &rst
  ixpk= 2442, nxpk= 25, iat=1477,1782, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  119 VAL  HB          119 VAL  HA          3.50    (#   2444:25  Unique         3.03, 3.05 A)
 &rst
  ixpk= 2444, nxpk= 25, iat=1784,1782, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  122 ARG  HD-         119 VAL  HA          4.50    (#   2445:25  Unique         2.86, 3.92 A)
 &rst
  ixpk= 2445, nxpk= 25, iat=  -1,1782, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1843,1844,
 &end
#
#  122 ARG  HD+         119 VAL  HA          5.50    (#   2446:25  Unique         2.86, 3.92 A)
 &rst
  ixpk= 2446, nxpk= 25, iat=  -1,1782, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1843,1844,
 &end
#
#    0 AMB  25-2:2447   119 VAL  HA          5.50    (#   2447:25  Single Ambig)
 &rst
  ixpk= 2447, nxpk= 25, iat=  -1,1782, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1767,1768,1822,1823,
 &end
#
#  119 VAL  MGY         119 VAL  HA          2.80    (#   2450:25  Unique         2.51, 3.18 A)
 &rst
  ixpk= 2450, nxpk= 25, iat=  -1,1782, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1786,1787,1788,1790,1791,1792,
 &end
#
#  122 ARG  HB+         119 VAL  HA          3.50    (#   2451:25  Unique         2.48, 3.84 A)
 &rst
  ixpk= 2451, nxpk= 25, iat=  -1,1782, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1837,1838,
 &end
#
#  122 ARG  HB-         119 VAL  HA          4.50    (#   2452:25  Unique         2.48, 3.84 A)
 &rst
  ixpk= 2452, nxpk= 25, iat=  -1,1782, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1837,1838,
 &end
#
#  119 VAL  HA          119 VAL  HB          3.50    (#   2453:25  Unique         3.03, 3.05 A)
 &rst
  ixpk= 2453, nxpk= 25, iat=1782,1784, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   21 PHE  HE          119 VAL  HB          3.50    (#   2454:25  Unique         3.26, 5.51 A)
 &rst
  ixpk= 2454, nxpk= 25, iat=  -1,1784, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 338, 342,
 &end
#
#  120 LYS  HN          119 VAL  HB          2.80    (#   2455:25  Unique         2.58, 2.80 A)
 &rst
  ixpk= 2455, nxpk= 25, iat=1796,1784, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  118 GLN  HB-         119 VAL  MGY         3.50    (#   2456:25  Unique         3.26, 6.21 A)
 &rst
  ixpk= 2456, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1767,1768,
 igr2=1786,1787,1788,1790,1791,1792,
 &end
#
#   17 MET  HB-         119 VAL  MGY         3.50    (#   2457:25  Unique         2.87, 5.44 A)
 &rst
  ixpk= 2457, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 283, 284,
 igr2=1786,1787,1788,1790,1791,1792,
 &end
#
#   14 ARG  HA          119 VAL  MGY         3.50    (#   2458:25  Unique         2.17, 4.29 A)
 &rst
  ixpk= 2458, nxpk= 25, iat= 229,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1786,1787,1788,1790,1791,1792,
 &end
#
#  116 ARG  HA          119 VAL  MGY         4.50    (#   2459:25  Unique         3.25, 4.44 A)
 &rst
  ixpk= 2459, nxpk= 25, iat=1734,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1786,1787,1788,1790,1791,1792,
 &end
#
#    0 AMB  25-2:2460   119 VAL  MGY         5.50    (#   2460:25  Single Ambig)
 &rst
  ixpk= 2460, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1763,1756,
 igr2=1786,1787,1788,1790,1791,1792,
 &end
#
#    0 AMB  25-2:2461   120 LYS  HA          3.50    (#   2461:25  Single Ambig)
 &rst
  ixpk= 2461, nxpk= 25, iat=  -1,1798, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1857,1873,
 &end
#
#  120 LYS  HN          120 LYS  HA          3.50    (#   2462:25  Unique         2.71, 2.74 A)
 &rst
  ixpk= 2462, nxpk= 25, iat=1796,1798, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  121 GLU  HN          120 LYS  HA          4.50    (#   2463:25  Unique         3.52, 3.55 A)
 &rst
  ixpk= 2463, nxpk= 25, iat=1818,1798, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   21 PHE  HD          120 LYS  HA          4.50    (#   2464:25  Unique         2.84, 4.65 A)
 &rst
  ixpk= 2464, nxpk= 25, iat=  -1,1798, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 336, 344,
 &end
#
#    0 AMB  25-2:2465   120 LYS  HA          4.50    (#   2465:25  Single Ambig)
 &rst
  ixpk= 2465, nxpk= 25, iat=  -1,1798, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1758,1759,1859,
 &end
#
#   21 PHE  HB+         120 LYS  HA          4.50    (#   2466:25  Unique         3.06, 3.84 A)
 &rst
  ixpk= 2466, nxpk= 25, iat=  -1,1798, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 332, 333,
 &end
#
#  123 VAL  HB          120 LYS  HA          3.50    (#   2467:25  Unique         2.63, 2.82 A)
 &rst
  ixpk= 2467, nxpk= 25, iat=1861,1798, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:2468   120 LYS  HA          2.80    (#   2468:25  Single Ambig)
 &rst
  ixpk= 2468, nxpk= 25, iat=  -1,1798, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1806,1807,1800,1801,
 &end
#
#  120 LYS  HG+         120 LYS  HA          3.50    (#   2469:25  Unique         2.76, 3.39 A)
 &rst
  ixpk= 2469, nxpk= 25, iat=  -1,1798, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1803,1804,
 &end
#
#  120 LYS  HB-         120 LYS  HA          3.50    (#   2470:25  Unique         2.31, 2.76 A)
 &rst
  ixpk= 2470, nxpk= 25, iat=  -1,1798, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1800,1801,
 &end
#
#  120 LYS  HG-         120 LYS  HA          3.50    (#   2471:25  Unique         2.76, 3.39 A)
 &rst
  ixpk= 2471, nxpk= 25, iat=  -1,1798, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1803,1804,
 &end
#
#  120 LYS  HG-         120 LYS  HB+         3.50    (#   2472:25  Unique         2.17, 2.57 A)
 &rst
  ixpk= 2472, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1803,1804,
 igr2=1800,1801,
 &end
#
#  120 LYS  HG-         120 LYS  HB-         3.50    (#   2473:25  Unique         2.17, 2.57 A)
 &rst
  ixpk= 2473, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1803,1804,
 igr2=1800,1801,
 &end
#
#  120 LYS  HG+         120 LYS  HB-         2.80    (#   2474:25  Unique         2.17, 2.57 A)
 &rst
  ixpk= 2474, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1803,1804,
 igr2=1800,1801,
 &end
#
#  120 LYS  HG+         120 LYS  HB+         3.50    (#   2475:25  Unique         2.17, 2.57 A)
 &rst
  ixpk= 2475, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1803,1804,
 igr2=1800,1801,
 &end
#
#  120 LYS  HA          120 LYS  HB-         3.50    (#   2476:25  Unique         2.31, 2.76 A)
 &rst
  ixpk= 2476, nxpk= 25, iat=1798,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1800,1801,
 &end
#
#  120 LYS  HA          120 LYS  HB+         3.50    (#   2477:25  Unique         2.31, 2.76 A)
 &rst
  ixpk= 2477, nxpk= 25, iat=1798,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1800,1801,
 &end
#
#  117 GLY  HA-         120 LYS  HB-         4.50    (#   2478:25  Unique         2.26, 4.47 A)
 &rst
  ixpk= 2478, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1758,1759,
 igr2=1800,1801,
 &end
#
#  117 GLY  HA+         120 LYS  HB+         4.50    (#   2480:25  Unique         2.26, 4.47 A)
 &rst
  ixpk= 2480, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1758,1759,
 igr2=1800,1801,
 &end
#
#  121 GLU  HN          120 LYS  HB+         3.50    (#   2481:25  Unique         2.20, 3.01 A)
 &rst
  ixpk= 2481, nxpk= 25, iat=1818,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1800,1801,
 &end
#
#  121 GLU  HN          120 LYS  HB-         3.50    (#   2482:25  Unique         2.20, 3.01 A)
 &rst
  ixpk= 2482, nxpk= 25, iat=1818,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1800,1801,
 &end
#
#  120 LYS  HN          120 LYS  HB-         3.50    (#   2483:25  Unique         2.04, 3.01 A)
 &rst
  ixpk= 2483, nxpk= 25, iat=1796,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1800,1801,
 &end
#
#  120 LYS  HN          120 LYS  HB+         3.50    (#   2484:25  Unique         2.04, 3.01 A)
 &rst
  ixpk= 2484, nxpk= 25, iat=1796,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1800,1801,
 &end
#
#  120 LYS  HE-         120 LYS  HG+         3.50    (#   2485:25  Unique         2.65, 3.71 A)
 &rst
  ixpk= 2485, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1809,1810,
 igr2=1803,1804,
 &end
#
#  120 LYS  HA          120 LYS  HG+         3.50    (#   2486:25  Unique         2.76, 3.39 A)
 &rst
  ixpk= 2486, nxpk= 25, iat=1798,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1803,1804,
 &end
#
#  120 LYS  HA          120 LYS  HG-         3.50    (#   2487:25  Unique         2.76, 3.39 A)
 &rst
  ixpk= 2487, nxpk= 25, iat=1798,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1803,1804,
 &end
#
#  120 LYS  HE-         120 LYS  HG-         4.50    (#   2488:25  Unique         2.65, 3.71 A)
 &rst
  ixpk= 2488, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1809,1810,
 igr2=1803,1804,
 &end
#
#    0 AMB  25-2:2489   120 LYS  HG-         3.50    (#   2489:25  Single Ambig)
 &rst
  ixpk= 2489, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1800,1801,1806,1807,
 igr2=1803,1804,
 &end
#
#  120 LYS  HB-         120 LYS  HG+         2.80    (#   2490:25  Unique         2.17, 2.57 A)
 &rst
  ixpk= 2490, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1800,1801,
 igr2=1803,1804,
 &end
#
#  120 LYS  HB-         120 LYS  HG-         3.50    (#   2491:25  Unique         2.17, 2.57 A)
 &rst
  ixpk= 2491, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1800,1801,
 igr2=1803,1804,
 &end
#
#  120 LYS  HG-         120 LYS  HD+         3.50    (#   2492:25  Unique         2.29, 2.59 A)
 &rst
  ixpk= 2492, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1803,1804,
 igr2=1806,1807,
 &end
#
#  120 LYS  HG-         120 LYS  HD-         3.50    (#   2493:25  Unique         2.29, 2.59 A)
 &rst
  ixpk= 2493, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1803,1804,
 igr2=1806,1807,
 &end
#
#  120 LYS  HB-         120 LYS  HD+         3.50    (#   2494:25  Unique         2.32, 3.69 A)
 &rst
  ixpk= 2494, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1800,1801,
 igr2=1806,1807,
 &end
#
#  120 LYS  HB-         120 LYS  HD-         3.50    (#   2495:25  Unique         2.32, 3.69 A)
 &rst
  ixpk= 2495, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1800,1801,
 igr2=1806,1807,
 &end
#
#  120 LYS  HG+         120 LYS  HD+         2.80    (#   2496:25  Unique         2.29, 2.59 A)
 &rst
  ixpk= 2496, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1803,1804,
 igr2=1806,1807,
 &end
#
#  120 LYS  HG+         120 LYS  HD-         3.50    (#   2497:25  Unique         2.29, 2.59 A)
 &rst
  ixpk= 2497, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1803,1804,
 igr2=1806,1807,
 &end
#
#  120 LYS  HE-         120 LYS  HD+         2.80    (#   2498:25  Unique         2.34, 2.65 A)
 &rst
  ixpk= 2498, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1809,1810,
 igr2=1806,1807,
 &end
#
#  120 LYS  HE-         120 LYS  HD-         2.80    (#   2499:25  Unique         2.34, 2.65 A)
 &rst
  ixpk= 2499, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1809,1810,
 igr2=1806,1807,
 &end
#
#  121 GLU  HN          120 LYS  HD+         5.50    (#   2502:25  Unique         4.50, 5.51 A)
 &rst
  ixpk= 2502, nxpk= 25, iat=1818,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1806,1807,
 &end
#
#   21 PHE  HE          120 LYS  HD-         5.50    (#   2503:25  Unique         3.04, 4.43 A)
 &rst
  ixpk= 2503, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 338, 342,
 igr2=1806,1807,
 &end
#
#    0 AMB  25-2:2504   121 GLU  HA          3.50    (#   2504:25  Single Ambig)
 &rst
  ixpk= 2504, nxpk= 25, iat=  -1,1820, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1873,1857,
 &end
#
#  125 ASN  HN          121 GLU  HA          4.50    (#   2505:25  Unique         3.76, 3.88 A)
 &rst
  ixpk= 2505, nxpk= 25, iat=1888,1820, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:2506   121 GLU  HA          5.50    (#   2506:25  Single Ambig)
 &rst
  ixpk= 2506, nxpk= 25, iat=  -1,1820, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1806,1807,1806,1807,
 &end
#
#  120 LYS  HG+         121 GLU  HA          5.50    (#   2507:25  Unique         3.25, 5.77 A)
 &rst
  ixpk= 2507, nxpk= 25, iat=  -1,1820, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1803,1804,
 &end
#
#  122 ARG  HB-         122 ARG  HA          3.50    (#   2508:25  Unique         2.42, 2.76 A)
 &rst
  ixpk= 2508, nxpk= 25, iat=  -1,1835, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1837,1838,
 &end
#
#  122 ARG  HB+         122 ARG  HA          3.50    (#   2509:25  Unique         2.42, 2.76 A)
 &rst
  ixpk= 2509, nxpk= 25, iat=  -1,1835, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1837,1838,
 &end
#
#  122 ARG  HG+         122 ARG  HA          3.50    (#   2510:25  Unique         2.19, 2.97 A)
 &rst
  ixpk= 2510, nxpk= 25, iat=  -1,1835, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1840,1841,
 &end
#
#  122 ARG  HD+         122 ARG  HA          3.50    (#   2511:25  Unique         3.00, 3.87 A)
 &rst
  ixpk= 2511, nxpk= 25, iat=  -1,1835, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1843,1844,
 &end
#
#  122 ARG  HD-         122 ARG  HA          3.50    (#   2512:25  Unique         3.00, 3.87 A)
 &rst
  ixpk= 2512, nxpk= 25, iat=  -1,1835, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1843,1844,
 &end
#
#  125 ASN  HB+         122 ARG  HA          2.80    (#   2513:25  Unique         2.23, 3.10 A)
 &rst
  ixpk= 2513, nxpk= 25, iat=  -1,1835, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1892,1893,
 &end
#
#  122 ARG  HN          122 ARG  HA          3.50    (#   2514:25  Unique         2.89, 2.93 A)
 &rst
  ixpk= 2514, nxpk= 25, iat=1833,1835, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  125 ASN  HD2+        122 ARG  HA          4.50    (#   2515:25  Unique         3.00, 4.06 A)
 &rst
  ixpk= 2515, nxpk= 25, iat=  -1,1835, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1897,1898,
 &end
#
#  125 ASN  HN          122 ARG  HA          3.50    (#   2516:25  Unique         3.18, 3.34 A)
 &rst
  ixpk= 2516, nxpk= 25, iat=1888,1835, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:2517   122 ARG  HA          3.50    (#   2517:25  Single Ambig)
 &rst
  ixpk= 2517, nxpk= 25, iat=  -1,1835, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1857,1873,
 &end
#
#  122 ARG  HN          122 ARG  HB+         4.50    (#   2518:25  Unique         2.33, 3.05 A)
 &rst
  ixpk= 2518, nxpk= 25, iat=1833,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1837,1838,
 &end
#
#  122 ARG  HN          122 ARG  HB-         4.50    (#   2519:25  Unique         2.33, 3.05 A)
 &rst
  ixpk= 2519, nxpk= 25, iat=1833,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1837,1838,
 &end
#
#  122 ARG  HA          122 ARG  HB+         5.50    (#   2520:25  Unique         2.42, 2.76 A)
 &rst
  ixpk= 2520, nxpk= 25, iat=1835,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1837,1838,
 &end
#
#  122 ARG  HA          122 ARG  HB-         4.50    (#   2521:25  Unique         2.42, 2.76 A)
 &rst
  ixpk= 2521, nxpk= 25, iat=1835,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1837,1838,
 &end
#
#  122 ARG  HD+         122 ARG  HB-         5.50    (#   2522:25  Unique         2.17, 3.20 A)
 &rst
  ixpk= 2522, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1843,1844,
 igr2=1837,1838,
 &end
#
#  122 ARG  HG-         122 ARG  HB-         3.50    (#   2523:25  Unique         2.26, 2.65 A)
 &rst
  ixpk= 2523, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1840,1841,
 igr2=1837,1838,
 &end
#
#  122 ARG  HB-         122 ARG  HD-         4.50    (#   2527:25  Unique         2.17, 3.20 A)
 &rst
  ixpk= 2527, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1837,1838,
 igr2=1843,1844,
 &end
#
#  122 ARG  HB-         122 ARG  HD+         4.50    (#   2528:25  Unique         2.17, 3.20 A)
 &rst
  ixpk= 2528, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1837,1838,
 igr2=1843,1844,
 &end
#
#  101 LEU  MDX         122 ARG  HD-         2.80    (#   2529:25  Unique         2.14, 4.28 A)
 &rst
  ixpk= 2529, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1510,1511,1512,1514,1515,1516,
 igr2=1843,1844,
 &end
#
#  122 ARG  HG-         122 ARG  HD-         3.50    (#   2530:25  Unique         2.37, 2.74 A)
 &rst
  ixpk= 2530, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1840,1841,
 igr2=1843,1844,
 &end
#
#  122 ARG  HG+         122 ARG  HD-         3.50    (#   2531:25  Unique         2.37, 2.74 A)
 &rst
  ixpk= 2531, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1840,1841,
 igr2=1843,1844,
 &end
#
#  122 ARG  HG+         122 ARG  HD+         3.50    (#   2532:25  Unique         2.37, 2.74 A)
 &rst
  ixpk= 2532, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1840,1841,
 igr2=1843,1844,
 &end
#
#  122 ARG  HB+         122 ARG  HD+         3.50    (#   2533:25  Unique         2.17, 3.20 A)
 &rst
  ixpk= 2533, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1837,1838,
 igr2=1843,1844,
 &end
#
#  122 ARG  HA          122 ARG  HD-         4.50    (#   2534:25  Unique         3.00, 3.87 A)
 &rst
  ixpk= 2534, nxpk= 25, iat=1835,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1843,1844,
 &end
#
#  122 ARG  HA          122 ARG  HD+         3.50    (#   2535:25  Unique         3.00, 3.87 A)
 &rst
  ixpk= 2535, nxpk= 25, iat=1835,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1843,1844,
 &end
#
#  122 ARG  HN          122 ARG  HD-         5.50    (#   2538:25  Unique         2.06, 3.17 A)
 &rst
  ixpk= 2538, nxpk= 25, iat=1833,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1843,1844,
 &end
#
#   99 TRP  HZ2         126 LEU  HB-         3.50    (#   2539:25  Unique         2.06, 2.36 A)
 &rst
  ixpk= 2539, nxpk= 25, iat=1473,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1906,1907,
 &end
#
#   99 TRP  HH2         126 LEU  HB-         4.50    (#   2540:25  Unique         2.12, 2.71 A)
 &rst
  ixpk= 2540, nxpk= 25, iat=1475,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1906,1907,
 &end
#
#  126 LEU  HN          126 LEU  HB-         3.50    (#   2541:25  Unique         2.08, 2.60 A)
 &rst
  ixpk= 2541, nxpk= 25, iat=1902,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1906,1907,
 &end
#
#  127 ILE  HN          126 LEU  HB-         4.50    (#   2542:25  Unique         2.92, 3.51 A)
 &rst
  ixpk= 2542, nxpk= 25, iat=1921,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1906,1907,
 &end
#
#    0 AMB  25-2:2543   123 VAL  HA          3.50    (#   2543:25  Single Ambig)
 &rst
  ixpk= 2543, nxpk= 25, iat=  -1,1859, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1857,1873,
 &end
#
#  126 LEU  HN          123 VAL  HA          3.50    (#   2544:25  Unique         3.55, 3.58 A)
 &rst
  ixpk= 2544, nxpk= 25, iat=1902,1859, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   99 TRP  HZ2         123 VAL  HA          4.50    (#   2545:25  Unique         4.11, 4.21 A)
 &rst
  ixpk= 2545, nxpk= 25, iat=1473,1859, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   99 TRP  HH2         123 VAL  HA          2.80    (#   2546:25  Unique         2.06, 2.13 A)
 &rst
  ixpk= 2546, nxpk= 25, iat=1475,1859, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  126 LEU  HB+         123 VAL  HA          2.80    (#   2547:25  Unique         2.78, 3.67 A)
 &rst
  ixpk= 2547, nxpk= 25, iat=  -1,1859, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1906,1907,
 &end
#
#  123 VAL  HB          123 VAL  HA          3.50    (#   2548:25  Unique         2.99, 3.01 A)
 &rst
  ixpk= 2548, nxpk= 25, iat=1861,1859, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  126 LEU  HB-         123 VAL  HA          3.50    (#   2549:25  Unique         2.78, 3.67 A)
 &rst
  ixpk= 2549, nxpk= 25, iat=  -1,1859, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1906,1907,
 &end
#
#  126 LEU  MDY         123 VAL  HA          5.50    (#   2550:25  Unique         2.82, 4.52 A)
 &rst
  ixpk= 2550, nxpk= 25, iat=  -1,1859, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1911,1912,1913,1915,1916,1917,
 &end
#
#   18 ALA  MB          123 VAL  MGY         3.50    (#   2551:25  Unique         2.37, 4.91 A)
 &rst
  ixpk= 2551, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 300, 301, 302,
 igr2=1863,1864,1865,1867,1868,1869,
 &end
#
#   21 PHE  HB-         123 VAL  MGY         3.50    (#   2553:25  Unique         2.27, 3.88 A)
 &rst
  ixpk= 2553, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 332, 333,
 igr2=1863,1864,1865,1867,1868,1869,
 &end
#
#   21 PHE  HB+         123 VAL  MGY         3.50    (#   2554:25  Unique         2.27, 3.88 A)
 &rst
  ixpk= 2554, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 332, 333,
 igr2=1863,1864,1865,1867,1868,1869,
 &end
#
#   18 ALA  HA          123 VAL  MGY         2.80    (#   2555:25  Unique         2.12, 4.05 A)
 &rst
  ixpk= 2555, nxpk= 25, iat= 298,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1863,1864,1865,1867,1868,1869,
 &end
#
#  127 ILE  QD1         124 GLU  HA          2.80    (#   2556:25  Unique         2.23, 3.29 A)
 &rst
  ixpk= 2556, nxpk= 25, iat=  -1,1875, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1934,1935,1936,
 &end
#
#  124 GLU  HG+         124 GLU  HA          2.80    (#   2557:25  Unique         2.38, 2.79 A)
 &rst
  ixpk= 2557, nxpk= 25, iat=  -1,1875, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1880,1881,
 &end
#
#    0 AMB  25-2:2558   124 GLU  HA          5.50    (#   2558:25  Single Ambig)
 &rst
  ixpk= 2558, nxpk= 25, iat=  -1,1875, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1940,1897,1898,
 &end
#
#  125 ASN  HN          124 GLU  HA          3.50    (#   2559:25  Unique         3.54, 3.55 A)
 &rst
  ixpk= 2559, nxpk= 25, iat=1888,1875, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  124 GLU  HN          124 GLU  HB+         2.80    (#   2560:25  Unique         2.30, 2.39 A)
 &rst
  ixpk= 2560, nxpk= 25, iat=1873,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1877,1878,
 &end
#
#  125 ASN  HN          124 GLU  HB+         3.50    (#   2561:25  Unique         2.86, 3.47 A)
 &rst
  ixpk= 2561, nxpk= 25, iat=1888,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1877,1878,
 &end
#
#  124 GLU  HA          124 GLU  HB+         2.80    (#   2562:25  Unique         2.32, 2.69 A)
 &rst
  ixpk= 2562, nxpk= 25, iat=1875,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1877,1878,
 &end
#
#   25 LEU  MDX         124 GLU  HG+         2.80    (#   2563:25  Unique         3.02, 5.35 A)
 &rst
  ixpk= 2563, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 403, 404, 405, 407, 408, 409,
 igr2=1880,1881,
 &end
#
#   25 LEU  MDX         124 GLU  HG-         2.80    (#   2564:25  Unique         3.02, 5.35 A)
 &rst
  ixpk= 2564, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 403, 404, 405, 407, 408, 409,
 igr2=1880,1881,
 &end
#
#  124 GLU  HA          124 GLU  HG+         3.50    (#   2565:25  Unique         2.38, 2.79 A)
 &rst
  ixpk= 2565, nxpk= 25, iat=1875,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1880,1881,
 &end
#
#  121 GLU  HA          124 GLU  HG+         4.50    (#   2566:25  Unique         4.79, 5.26 A)
 &rst
  ixpk= 2566, nxpk= 25, iat=1820,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1880,1881,
 &end
#
#  124 GLU  HA          124 GLU  HG-         2.80    (#   2567:25  Unique         2.38, 2.79 A)
 &rst
  ixpk= 2567, nxpk= 25, iat=1875,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1880,1881,
 &end
#
#  121 GLU  HA          124 GLU  HG-         4.50    (#   2568:25  Unique         4.79, 5.26 A)
 &rst
  ixpk= 2568, nxpk= 25, iat=1820,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1880,1881,
 &end
#
#  124 GLU  HN          124 GLU  HG-         4.50    (#   2569:25  Unique         4.27, 4.35 A)
 &rst
  ixpk= 2569, nxpk= 25, iat=1873,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1880,1881,
 &end
#
#  122 ARG  HA          125 ASN  HB+         3.50    (#   2570:25  Unique         2.23, 3.10 A)
 &rst
  ixpk= 2570, nxpk= 25, iat=1835,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1892,1893,
 &end
#
#  122 ARG  HA          125 ASN  HB-         3.50    (#   2571:25  Unique         2.23, 3.10 A)
 &rst
  ixpk= 2571, nxpk= 25, iat=1835,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1892,1893,
 &end
#
#  125 ASN  HD2-        125 ASN  HB+         4.50    (#   2572:25  Unique         2.43, 3.45 A)
 &rst
  ixpk= 2572, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1897,1898,
 igr2=1892,1893,
 &end
#
#  125 ASN  HD2-        125 ASN  HB-         4.50    (#   2573:25  Unique         2.43, 3.45 A)
 &rst
  ixpk= 2573, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1897,1898,
 igr2=1892,1893,
 &end
#
#  125 ASN  HD2+        125 ASN  HB+         3.50    (#   2574:25  Unique         2.43, 3.45 A)
 &rst
  ixpk= 2574, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1897,1898,
 igr2=1892,1893,
 &end
#
#  125 ASN  HD2+        125 ASN  HB-         3.50    (#   2575:25  Unique         2.43, 3.45 A)
 &rst
  ixpk= 2575, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1897,1898,
 igr2=1892,1893,
 &end
#
#  126 LEU  HN          125 ASN  HB+         3.50    (#   2576:25  Unique         2.69, 2.98 A)
 &rst
  ixpk= 2576, nxpk= 25, iat=1902,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1892,1893,
 &end
#
#  126 LEU  HN          125 ASN  HB-         3.50    (#   2577:25  Unique         2.69, 2.98 A)
 &rst
  ixpk= 2577, nxpk= 25, iat=1902,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1892,1893,
 &end
#
#  126 LEU  HN          126 LEU  HA          3.50    (#   2578:25  Unique         2.85, 2.87 A)
 &rst
  ixpk= 2578, nxpk= 25, iat=1902,1904, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  127 ILE  HN          126 LEU  HA          3.50    (#   2579:25  Unique         3.51, 3.52 A)
 &rst
  ixpk= 2579, nxpk= 25, iat=1921,1904, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  129 LYS  HN          126 LEU  HA          3.50    (#   2580:25  Unique         3.19, 3.36 A)
 &rst
  ixpk= 2580, nxpk= 25, iat=1950,1904, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  129 LYS  HE+         126 LEU  HA          4.50    (#   2582:25  Unique         2.98, 4.03 A)
 &rst
  ixpk= 2582, nxpk= 25, iat=  -1,1904, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1963,1964,
 &end
#
#  125 ASN  HB+         126 LEU  HA          5.50    (#   2583:25  Unique         3.91, 4.38 A)
 &rst
  ixpk= 2583, nxpk= 25, iat=  -1,1904, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1892,1893,
 &end
#
#  126 LEU  HB+         126 LEU  HA          3.50    (#   2584:25  Unique         2.17, 2.56 A)
 &rst
  ixpk= 2584, nxpk= 25, iat=  -1,1904, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1906,1907,
 &end
#
#  129 LYS  HD+         126 LEU  HA          3.50    (#   2585:25  Unique         2.28, 3.19 A)
 &rst
  ixpk= 2585, nxpk= 25, iat=  -1,1904, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1960,1961,
 &end
#
#  127 ILE  QD1         126 LEU  HB+         4.50    (#   2586:25  Unique         4.36, 6.36 A)
 &rst
  ixpk= 2586, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1934,1935,1936,
 igr2=1906,1907,
 &end
#
#  126 LEU  MDY         126 LEU  HB-         3.50    (#   2587:25  Unique         2.26, 3.27 A)
 &rst
  ixpk= 2587, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1911,1912,1913,1915,1916,1917,
 igr2=1906,1907,
 &end
#
#  123 VAL  HA          126 LEU  HB-         3.50    (#   2588:25  Unique         2.78, 3.67 A)
 &rst
  ixpk= 2588, nxpk= 25, iat=1859,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1906,1907,
 &end
#
#  126 LEU  HA          126 LEU  HB-         3.50    (#   2589:25  Unique         2.17, 2.56 A)
 &rst
  ixpk= 2589, nxpk= 25, iat=1904,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1906,1907,
 &end
#
#   99 TRP  HH2         126 LEU  HB+         4.50    (#   2590:25  Unique         2.12, 2.71 A)
 &rst
  ixpk= 2590, nxpk= 25, iat=1475,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1906,1907,
 &end
#
#  126 LEU  HN          126 LEU  HB+         2.80    (#   2591:25  Unique         2.08, 2.60 A)
 &rst
  ixpk= 2591, nxpk= 25, iat=1902,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1906,1907,
 &end
#
#  126 LEU  HN          126 LEU  HG          5.50    (#   2592:25  Unique         4.33, 4.37 A)
 &rst
  ixpk= 2592, nxpk= 25, iat=1902,1909, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  127 ILE  HN          126 LEU  HG          5.50    (#   2593:25  Unique         3.37, 3.44 A)
 &rst
  ixpk= 2593, nxpk= 25, iat=1921,1909, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   99 TRP  HZ2         126 LEU  HG          4.50    (#   2594:25  Unique         4.57, 4.62 A)
 &rst
  ixpk= 2594, nxpk= 25, iat=1473,1909, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   99 TRP  HH2         126 LEU  HG          4.50    (#   2595:25  Unique         4.31, 4.47 A)
 &rst
  ixpk= 2595, nxpk= 25, iat=1475,1909, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  126 LEU  HA          126 LEU  HG          4.50    (#   2596:25  Unique         3.08, 3.10 A)
 &rst
  ixpk= 2596, nxpk= 25, iat=1904,1909, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:2597   126 LEU  HG          5.50    (#   2597:25  Single Ambig)
 &rst
  ixpk= 2597, nxpk= 25, iat=  -1,1909, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1859,1995,1996,
 &end
#
#  126 LEU  HB+         126 LEU  HG          3.50    (#   2598:25  Unique         2.72, 2.85 A)
 &rst
  ixpk= 2598, nxpk= 25, iat=  -1,1909, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1906,1907,
 &end
#
#  126 LEU  HB-         126 LEU  HG          2.80    (#   2599:25  Unique         2.72, 2.85 A)
 &rst
  ixpk= 2599, nxpk= 25, iat=  -1,1909, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1906,1907,
 &end
#
#    0 AMB  25-2:2600   126 LEU  HG          4.50    (#   2600:25  Single Ambig)
 &rst
  ixpk= 2600, nxpk= 25, iat=  -1,1909, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1960,1961,1398,
 &end
#
#   77 ILE  HG1+        126 LEU  HG          4.50    (#   2601:25  Unique         5.02, 5.19 A)
 &rst
  ixpk= 2601, nxpk= 25, iat=  -1,1909, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1141,1142,
 &end
#
#   77 ILE  QD1         126 LEU  HG          4.50    (#   2602:25  Unique         4.50, 5.64 A)
 &rst
  ixpk= 2602, nxpk= 25, iat=  -1,1909, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1144,1145,1146,
 &end
#
#    4 VAL  MGX         126 LEU  HG          3.50    (#   2603:25  Unique         3.96, 5.06 A)
 &rst
  ixpk= 2603, nxpk= 25, iat=  -1,1909, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=  71,  72,  73,  75,  76,  77,
 &end
#
#    0 AMB  25-2:2604   127 ILE  HA          3.50    (#   2604:25  Single Ambig)
 &rst
  ixpk= 2604, nxpk= 25, iat=  -1,1923, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1972,1940,
 &end
#
#   26 GLY  HA+         127 ILE  HA          4.50    (#   2606:25  Unique         4.85, 5.04 A)
 &rst
  ixpk= 2606, nxpk= 25, iat=  -1,1923, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 415, 416,
 &end
#
#  130 ILE  HB          127 ILE  HA          4.50    (#   2607:25  Unique         4.59, 4.67 A)
 &rst
  ixpk= 2607, nxpk= 25, iat=1976,1923, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  130 ILE  HG1-        127 ILE  HA          3.50    (#   2608:25  Unique         2.16, 2.96 A)
 &rst
  ixpk= 2608, nxpk= 25, iat=  -1,1923, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1982,1983,
 &end
#
#  127 ILE  HG1+        127 ILE  HB          2.80    (#   2609:25  Unique         2.58, 2.87 A)
 &rst
  ixpk= 2609, nxpk= 25, iat=  -1,1925, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1931,1932,
 &end
#
#    0 AMB  25-2:2610   127 ILE  HB          4.50    (#   2610:25  Single Ambig)
 &rst
  ixpk= 2610, nxpk= 25, iat=  -1,1925, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1=1944,1945,1946,1982,1983,
 &end
#
#  124 GLU  HG-         127 ILE  HB          3.50    (#   2611:25  Unique         3.68, 4.07 A)
 &rst
  ixpk= 2611, nxpk= 25, iat=  -1,1925, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1880,1881,
 &end
#
#  124 GLU  HG+         127 ILE  HB          3.50    (#   2612:25  Unique         3.68, 4.07 A)
 &rst
  ixpk= 2612, nxpk= 25, iat=  -1,1925, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1880,1881,
 &end
#
#  127 ILE  HA          127 ILE  HB          3.50    (#   2613:25  Unique         2.96, 2.98 A)
 &rst
  ixpk= 2613, nxpk= 25, iat=1923,1925, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  124 GLU  HA          127 ILE  HB          3.50    (#   2614:25  Unique         2.10, 2.15 A)
 &rst
  ixpk= 2614, nxpk= 25, iat=1875,1925, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  128 ALA  HN          127 ILE  HB          2.80    (#   2615:25  Unique         2.80, 2.83 A)
 &rst
  ixpk= 2615, nxpk= 25, iat=1940,1925, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  127 ILE  HN          127 ILE  HG1+        3.50    (#   2616:25  Unique         2.51, 3.39 A)
 &rst
  ixpk= 2616, nxpk= 25, iat=1921,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1931,1932,
 &end
#
#  127 ILE  HN          127 ILE  HG1-        2.80    (#   2617:25  Unique         2.51, 3.39 A)
 &rst
  ixpk= 2617, nxpk= 25, iat=1921,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1931,1932,
 &end
#
#  127 ILE  HA          127 ILE  HG1-        3.50    (#   2618:25  Unique         2.13, 2.43 A)
 &rst
  ixpk= 2618, nxpk= 25, iat=1923,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1931,1932,
 &end
#
#  127 ILE  HA          127 ILE  HG1+        3.50    (#   2619:25  Unique         2.13, 2.43 A)
 &rst
  ixpk= 2619, nxpk= 25, iat=1923,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1931,1932,
 &end
#
#  124 GLU  HB+         127 ILE  QD1         3.50    (#   2620:25  Unique         3.94, 5.45 A)
 &rst
  ixpk= 2620, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1877,1878,
 igr2=1934,1935,1936,
 &end
#
#    0 AMB  25-2:2621    30 ILE  QD1         4.50    (#   2621:25  Single Ambig)
 &rst
  ixpk= 2621, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.07, r4= 7.82,
 igr1= 362, 363,1976, 313, 314,
 igr2= 472, 473, 474,
 &end
#
#  120 LYS  HE-         127 ILE  QD1         5.50    (#   2622:25  Unique         6.48, 7.40 A)
 &rst
  ixpk= 2622, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1809,1810,
 igr2=1934,1935,1936,
 &end
#
#  127 ILE  HA          127 ILE  QD1         3.50    (#   2623:25  Unique         4.05, 4.35 A)
 &rst
  ixpk= 2623, nxpk= 25, iat=1923,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1934,1935,1936,
 &end
#
#   26 GLY  HA-         127 ILE  QD1         2.80    (#   2624:25  Unique         3.07, 4.21 A)
 &rst
  ixpk= 2624, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 415, 416,
 igr2=1934,1935,1936,
 &end
#
#   22 ALA  HA          127 ILE  QD1         2.80    (#   2625:25  Unique         2.15, 3.00 A)
 &rst
  ixpk= 2625, nxpk= 25, iat= 350,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1934,1935,1936,
 &end
#
#  127 ILE  HN          127 ILE  QD1         3.50    (#   2626:25  Unique         3.08, 3.93 A)
 &rst
  ixpk= 2626, nxpk= 25, iat=1921,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1934,1935,1936,
 &end
#
#   26 GLY  HN          127 ILE  QD1         3.50    (#   2627:25  Unique         2.46, 3.69 A)
 &rst
  ixpk= 2627, nxpk= 25, iat= 413,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1934,1935,1936,
 &end
#
#   26 GLY  HA+         127 ILE  QD1         3.50    (#   2628:25  Unique         3.07, 4.21 A)
 &rst
  ixpk= 2628, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 415, 416,
 igr2=1934,1935,1936,
 &end
#
#  127 ILE  HN          127 ILE  QG2         4.50    (#   2629:25  Unique         4.02, 4.36 A)
 &rst
  ixpk= 2629, nxpk= 25, iat=1921,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1927,1928,1929,
 &end
#
#    0 AMB  25-2:2630    97 GLU  HA          5.50    (#   2630:25  Single Ambig)
 &rst
  ixpk= 2630, nxpk= 25, iat=  -1,1435, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1415,1423,1427,
 &end
#
#    0 AMB  25-2:2631     0 AMB  25-1:2631   5.50    (#   2631:25  Double Ambig)
 &rst
  ixpk= 2631, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1150,1921,
 igr2=1435,1942,
 &end
#
#  127 ILE  HA          128 ALA  MB          5.50    (#   2632:25  Unique         5.80, 6.15 A)
 &rst
  ixpk= 2632, nxpk= 25, iat=1923,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1944,1945,1946,
 &end
#
#  125 ASN  HB-         128 ALA  MB          4.50    (#   2633:25  Unique         4.53, 6.01 A)
 &rst
  ixpk= 2633, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1892,1893,
 igr2=1944,1945,1946,
 &end
#
#  124 GLU  HG-         128 ALA  MB          3.50    (#   2634:25  Unique         3.83, 5.31 A)
 &rst
  ixpk= 2634, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1880,1881,
 igr2=1944,1945,1946,
 &end
#
#   29 LYS  HB+          27 ALA  MB          5.50    (#   2635:25  Unique         5.95, 7.26 A)
 &rst
  ixpk= 2635, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 441, 442,
 igr2= 424, 425, 426,
 &end
#
#  129 LYS  HD+         129 LYS  HA          4.50    (#   2636:25  Unique         4.46, 4.61 A)
 &rst
  ixpk= 2636, nxpk= 25, iat=  -1,1952, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1960,1961,
 &end
#
#  129 LYS  HN          129 LYS  HD+         3.50    (#   2637:25  Unique         3.72, 4.21 A)
 &rst
  ixpk= 2637, nxpk= 25, iat=1950,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1960,1961,
 &end
#
#    2 LYS  HE-         130 ILE  HA          4.50    (#   2639:25  Unique         3.93, 4.89 A)
 &rst
  ixpk= 2639, nxpk= 25, iat=  -1,1974, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=  34,  35,
 &end
#
#    0 AMB  25-2:2640   130 ILE  HA          3.50    (#   2640:25  Single Ambig)
 &rst
  ixpk= 2640, nxpk= 25, iat=  -1,1974, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1982,1983,  31,  32,
 &end
#
#  130 ILE  HG1-        130 ILE  HA          3.50    (#   2641:25  Unique         3.49, 3.70 A)
 &rst
  ixpk= 2641, nxpk= 25, iat=  -1,1974, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1982,1983,
 &end
#
#    0 AMB  25-2:2642   130 ILE  HA          4.50    (#   2642:25  Single Ambig)
 &rst
  ixpk= 2642, nxpk= 25, iat=  -1,1974, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1=1985,1986,1987,1105,1106,1107,1109,1110,1111,
 &end
#
#    2 LYS  HE+         130 ILE  HB          3.50    (#   2643:25  Unique         2.03, 3.18 A)
 &rst
  ixpk= 2643, nxpk= 25, iat=  -1,1976, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=  34,  35,
 &end
#
#  127 ILE  HA          130 ILE  HB          5.50    (#   2644:25  Unique         4.59, 4.67 A)
 &rst
  ixpk= 2644, nxpk= 25, iat=1923,1976, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  130 ILE  HN          130 ILE  HB          3.50    (#   2645:25  Unique         3.47, 3.50 A)
 &rst
  ixpk= 2645, nxpk= 25, iat=1972,1976, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  130 ILE  HA          130 ILE  HG1+        3.50    (#   2646:25  Unique         3.49, 3.70 A)
 &rst
  ixpk= 2646, nxpk= 25, iat=1974,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1982,1983,
 &end
#
#  127 ILE  HA          130 ILE  HG1+        3.50    (#   2647:25  Unique         2.16, 2.96 A)
 &rst
  ixpk= 2647, nxpk= 25, iat=1923,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1982,1983,
 &end
#
#  130 ILE  QD1         130 ILE  HG1+        2.80    (#   2648:25  Unique         2.22, 2.65 A)
 &rst
  ixpk= 2648, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1985,1986,1987,
 igr2=1982,1983,
 &end
#
#    2 LYS  HB+         130 ILE  QD1         3.50    (#   2649:25  Unique         3.00, 4.82 A)
 &rst
  ixpk= 2649, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=  25,  26,
 igr2=1985,1986,1987,
 &end
#
#   94 GLU  HG+         130 ILE  QD1         5.50    (#   2650:25  Unique         5.09, 6.37 A)
 &rst
  ixpk= 2650, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1386,1387,
 igr2=1985,1986,1987,
 &end
#
#    2 LYS  HE-         130 ILE  QD1         4.50    (#   2651:25  Unique         3.52, 5.52 A)
 &rst
  ixpk= 2651, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=  34,  35,
 igr2=1985,1986,1987,
 &end
#
#  127 ILE  HA          130 ILE  QD1         3.50    (#   2652:25  Unique         3.12, 4.27 A)
 &rst
  ixpk= 2652, nxpk= 25, iat=1923,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1985,1986,1987,
 &end
#
#    0 AMB  25-2:2653   130 ILE  QD1         5.50    (#   2653:25  Single Ambig)
 &rst
  ixpk= 2653, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1=1993,  23,1952,
 igr2=1985,1986,1987,
 &end
#
#  130 ILE  HA          130 ILE  QD1         4.50    (#   2654:25  Unique         4.70, 5.10 A)
 &rst
  ixpk= 2654, nxpk= 25, iat=1974,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1985,1986,1987,
 &end
#
#  130 ILE  HN          130 ILE  QD1         4.50    (#   2655:25  Unique         3.85, 4.36 A)
 &rst
  ixpk= 2655, nxpk= 25, iat=1972,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1985,1986,1987,
 &end
#
#   30 ILE  QG2         131 SER  HA          3.50    (#   2656:25  Unique         2.83, 4.31 A)
 &rst
  ixpk= 2656, nxpk= 25, iat=  -1,1993, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 465, 466, 467,
 &end
#
#    0 AMB  25-2:2657   131 SER  HA          4.50    (#   2657:25  Single Ambig)
 &rst
  ixpk= 2657, nxpk= 25, iat=  -1,1993, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
 igr1=1982,1983, 469, 470,  15,  16,  17,
 &end
#
#    0 AMB  25-2:2658   131 SER  HA          4.50    (#   2658:25  Single Ambig)
 &rst
  ixpk= 2658, nxpk= 25, iat=  -1,1993, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1982,1983,  31,  32,  25,  26,
 &end
#
#  131 SER  HN          131 SER  HB-         3.50    (#   2659:25  Unique         2.43, 3.01 A)
 &rst
  ixpk= 2659, nxpk= 25, iat=1991,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1995,1996,
 &end
#
#  131 SER  HN          131 SER  HB+         3.50    (#   2660:25  Unique         2.43, 3.01 A)
 &rst
  ixpk= 2660, nxpk= 25, iat=1991,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1995,1996,
 &end
#
#   29 LYS  HA          131 SER  HB+         4.50    (#   2661:25  Unique         4.61, 5.46 A)
 &rst
  ixpk= 2661, nxpk= 25, iat= 439,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1995,1996,
 &end
#
#    0 AMB  25-2:2662   131 SER  HB-         4.50    (#   2662:25  Single Ambig)
 &rst
  ixpk= 2662, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 439,1974,
 igr2=1995,1996,
 &end
#
#  127 ILE  QG2         131 SER  HB+         4.50    (#   2663:25  Unique         2.29, 4.07 A)
 &rst
  ixpk= 2663, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1927,1928,1929,
 igr2=1995,1996,
 &end
#
#  127 ILE  QG2         131 SER  HB-         3.50    (#   2664:25  Unique         2.29, 4.07 A)
 &rst
  ixpk= 2664, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1927,1928,1929,
 igr2=1995,1996,
 &end
#
#  127 ILE  QD1         127 ILE  HA          3.50    (#   2665:25  Unique         4.05, 4.35 A)
 &rst
  ixpk= 2665, nxpk= 25, iat=  -1,1923, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1934,1935,1936,
 &end
#
#   90 TRP  HD1          87 PRO  HD-         3.50    (#   2666:25  Unique         2.55, 3.46 A)
 &rst
  ixpk= 2666, nxpk= 25, iat=1316,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1266,1267,
 &end
#
#   86 LEU  HA           87 PRO  HD-         2.80    (#   2668:25  Unique         2.18, 2.39 A)
 &rst
  ixpk= 2668, nxpk= 25, iat=1248,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1266,1267,
 &end
#
#   87 PRO  HB+          87 PRO  HD-         5.50    (#   2669:25  Unique         3.10, 3.78 A)
 &rst
  ixpk= 2669, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1272,1273,
 igr2=1266,1267,
 &end
#
#   87 PRO  HG+          87 PRO  HD-         2.80    (#   2670:25  Unique         2.27, 2.60 A)
 &rst
  ixpk= 2670, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1269,1270,
 igr2=1266,1267,
 &end
#
#   86 LEU  HG           87 PRO  HD-         5.50    (#   2671:25  Unique         4.54, 5.10 A)
 &rst
  ixpk= 2671, nxpk= 25, iat=1253,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1266,1267,
 &end
#
#   86 LEU  HB-          87 PRO  HD-         3.50    (#   2672:25  Unique         2.20, 3.77 A)
 &rst
  ixpk= 2672, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1250,1251,
 igr2=1266,1267,
 &end
#
#   86 LEU  HB+          87 PRO  HD-         3.50    (#   2673:25  Unique         2.20, 3.77 A)
 &rst
  ixpk= 2673, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1250,1251,
 igr2=1266,1267,
 &end
#
#    0 AMB  25-2:2674    87 PRO  HD-         5.50    (#   2674:25  Single Ambig)
 &rst
  ixpk= 2674, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.07, r4= 8.82,
 igr1= 960, 961, 956, 957, 958,
 igr2=1266,1267,
 &end
#
#    0 AMB  25-2:2675    87 PRO  HD-         3.50    (#   2675:25  Single Ambig)
 &rst
  ixpk= 2675, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1=1255,1256,1257,1259,1260,1261, 960, 961,
 igr2=1266,1267,
 &end
#
#    0 AMB  25-2:2676     0 AMB  25-1:2676   3.50    (#   2676:25  Double Ambig)
 &rst
  ixpk= 2676, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.24, r4= 6.99,
 igr1=1255,1256,1257,1259,1260,1261, 960, 961,
 igr2=1266,1267,1266,1267,
 &end
#
#   65 ILE  QD1          87 PRO  HD-         3.50    (#   2677:25  Unique         3.60, 4.99 A)
 &rst
  ixpk= 2677, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 963, 964, 965,
 igr2=1266,1267,
 &end
#
#   65 ILE  QD1          87 PRO  HD+         4.50    (#   2678:25  Unique         3.60, 4.99 A)
 &rst
  ixpk= 2678, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 963, 964, 965,
 igr2=1266,1267,
 &end
#
#   86 LEU  HB-          87 PRO  HD+         3.50    (#   2679:25  Unique         2.20, 3.77 A)
 &rst
  ixpk= 2679, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1250,1251,
 igr2=1266,1267,
 &end
#
#   86 LEU  HB+          87 PRO  HD+         3.50    (#   2680:25  Unique         2.20, 3.77 A)
 &rst
  ixpk= 2680, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1250,1251,
 igr2=1266,1267,
 &end
#
#   87 PRO  HB+          87 PRO  HD+         4.50    (#   2681:25  Unique         3.10, 3.78 A)
 &rst
  ixpk= 2681, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1272,1273,
 igr2=1266,1267,
 &end
#
#   86 LEU  HA           87 PRO  HD+         2.80    (#   2682:25  Unique         2.18, 2.39 A)
 &rst
  ixpk= 2682, nxpk= 25, iat=1248,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1266,1267,
 &end
#
#   90 TRP  HD1          87 PRO  HD+         5.50    (#   2683:25  Unique         2.55, 3.46 A)
 &rst
  ixpk= 2683, nxpk= 25, iat=1316,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1266,1267,
 &end
#
#   76 VAL  HB           96 PHE  HB+         5.50    (#   2684:25  Unique         2.99, 4.23 A)
 &rst
  ixpk= 2684, nxpk= 25, iat=1119,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1417,1418,
 &end
#
#   86 LEU  HG           86 LEU  HB+         3.50    (#   2686:25  Unique         2.41, 2.77 A)
 &rst
  ixpk= 2686, nxpk= 25, iat=1253,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1250,1251,
 &end
#
#   86 LEU  HG           86 LEU  HB-         3.50    (#   2687:25  Unique         2.41, 2.77 A)
 &rst
  ixpk= 2687, nxpk= 25, iat=1253,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1250,1251,
 &end
#
#   86 LEU  MDY          86 LEU  HB+         3.50    (#   2688:25  Unique         2.38, 3.33 A)
 &rst
  ixpk= 2688, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1255,1256,1257,1259,1260,1261,
 igr2=1250,1251,
 &end
#
#   91 VAL  MGY          86 LEU  HB+         3.50    (#   2689:25  Unique         3.13, 5.87 A)
 &rst
  ixpk= 2689, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1338,1339,1340,1342,1343,1344,
 igr2=1250,1251,
 &end
#
#   91 VAL  MGY          86 LEU  HB-         3.50    (#   2690:25  Unique         3.13, 5.87 A)
 &rst
  ixpk= 2690, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1338,1339,1340,1342,1343,1344,
 igr2=1250,1251,
 &end
#
#   90 TRP  HB-          86 LEU  HB+         4.50    (#   2691:25  Unique         2.18, 2.93 A)
 &rst
  ixpk= 2691, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1312,1313,
 igr2=1250,1251,
 &end
#
#   90 TRP  HB-          86 LEU  HB-         3.50    (#   2692:25  Unique         2.18, 2.93 A)
 &rst
  ixpk= 2692, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1312,1313,
 igr2=1250,1251,
 &end
#
#    0 AMB  25-2:2693     0 AMB  25-1:2693   3.50    (#   2693:25  Double Ambig)
 &rst
  ixpk= 2693, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1=1312,1313,1266,1267,
 igr2=1250,1251,1250,1251,
 &end
#
#    0 AMB  25-2:2694    86 LEU  HB-         3.50    (#   2694:25  Single Ambig)
 &rst
  ixpk= 2694, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1312,1313,1266,1267,
 igr2=1250,1251,
 &end
#
#   87 PRO  HD+          86 LEU  HB+         5.50    (#   2695:25  Unique         2.20, 3.77 A)
 &rst
  ixpk= 2695, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1266,1267,
 igr2=1250,1251,
 &end
#
#   87 PRO  HD+          86 LEU  HB-         4.50    (#   2696:25  Unique         2.20, 3.77 A)
 &rst
  ixpk= 2696, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1266,1267,
 igr2=1250,1251,
 &end
#
#   86 LEU  HA           86 LEU  HB+         3.50    (#   2697:25  Unique         2.40, 2.77 A)
 &rst
  ixpk= 2697, nxpk= 25, iat=1248,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1250,1251,
 &end
#
#   86 LEU  HA           86 LEU  HB-         3.50    (#   2698:25  Unique         2.40, 2.77 A)
 &rst
  ixpk= 2698, nxpk= 25, iat=1248,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1250,1251,
 &end
#
#   86 LEU  HN           86 LEU  HB+         3.50    (#   2699:25  Unique         2.40, 3.10 A)
 &rst
  ixpk= 2699, nxpk= 25, iat=1246,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1250,1251,
 &end
#
#  107 GLN  HE2+        107 GLN  HG-         3.50    (#   2701:25  Unique         2.16, 3.14 A)
 &rst
  ixpk= 2701, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1592,1593,
 igr2=1587,1588,
 &end
#
#  107 GLN  HE2-        107 GLN  HG+         4.50    (#   2702:25  Unique         2.16, 3.14 A)
 &rst
  ixpk= 2702, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1592,1593,
 igr2=1587,1588,
 &end
#
#  107 GLN  HE2+        107 GLN  HG+         3.50    (#   2703:25  Unique         2.16, 3.14 A)
 &rst
  ixpk= 2703, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1592,1593,
 igr2=1587,1588,
 &end
#
#  108 SER  HN          107 GLN  HG-         4.50    (#   2704:25  Unique         3.24, 4.10 A)
 &rst
  ixpk= 2704, nxpk= 25, iat=1597,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1587,1588,
 &end
#
#  107 GLN  HN          107 GLN  HG-         3.50    (#   2705:25  Unique         2.24, 3.24 A)
 &rst
  ixpk= 2705, nxpk= 25, iat=1580,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1587,1588,
 &end
#
#  108 SER  HN          107 GLN  HG+         3.50    (#   2706:25  Unique         3.24, 4.10 A)
 &rst
  ixpk= 2706, nxpk= 25, iat=1597,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1587,1588,
 &end
#
#  107 GLN  HN          107 GLN  HG+         3.50    (#   2707:25  Unique         2.24, 3.24 A)
 &rst
  ixpk= 2707, nxpk= 25, iat=1580,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1587,1588,
 &end
#
#  111 VAL  MGX         107 GLN  HG+         3.50    (#   2708:25  Unique         2.35, 4.67 A)
 &rst
  ixpk= 2708, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1648,1649,1650,1652,1653,1654,
 igr2=1587,1588,
 &end
#
#  111 VAL  MGX         107 GLN  HG-         3.50    (#   2709:25  Unique         2.35, 4.67 A)
 &rst
  ixpk= 2709, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1648,1649,1650,1652,1653,1654,
 igr2=1587,1588,
 &end
#
#  116 ARG  HN           14 ARG  HB+         5.50    (#   2712:25  Unique         5.29, 6.69 A)
 &rst
  ixpk= 2712, nxpk= 25, iat=1732,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 231, 232,
 &end
#
#  111 VAL  MGX         104 PRO  HB-         4.50    (#   2715:25  Unique         2.87, 6.55 A)
 &rst
  ixpk= 2715, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1648,1649,1650,1652,1653,1654,
 igr2=1554,1555,
 &end
#
#    8 CYS  HA            8 CYS  HB+         4.50    (#   2720:25  Unique         2.31, 2.76 A)
 &rst
  ixpk= 2720, nxpk= 25, iat= 136,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 138, 139,
 &end
#
#   86 LEU  HN           86 LEU  HG          3.50    (#   2725:25  Unique         2.39, 2.69 A)
 &rst
  ixpk= 2725, nxpk= 25, iat=1246,1253, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   86 LEU  HA           86 LEU  HG          4.50    (#   2727:25  Unique         2.97, 3.13 A)
 &rst
  ixpk= 2727, nxpk= 25, iat=1248,1253, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   86 LEU  HB+          86 LEU  HG          2.80    (#   2729:25  Unique         2.41, 2.77 A)
 &rst
  ixpk= 2729, nxpk= 25, iat=  -1,1253, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1250,1251,
 &end
#
#   86 LEU  HB-          86 LEU  HG          3.50    (#   2730:25  Unique         2.41, 2.77 A)
 &rst
  ixpk= 2730, nxpk= 25, iat=  -1,1253, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1250,1251,
 &end
#
#   86 LEU  MDX          86 LEU  HG          2.80    (#   2731:25  Unique         2.40, 2.67 A)
 &rst
  ixpk= 2731, nxpk= 25, iat=  -1,1253, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1255,1256,1257,1259,1260,1261,
 &end
#
#   79 LEU  HB-          79 LEU  MDX         2.80    (#   2733:25  Unique         2.30, 3.32 A)
 &rst
  ixpk= 2733, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1165,1166,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#   79 LEU  HG           79 LEU  MDX         3.50    (#   2734:25  Unique         2.27, 2.65 A)
 &rst
  ixpk= 2734, nxpk= 25, iat=1168,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#   79 LEU  HB+          79 LEU  MDX         4.50    (#   2736:25  Unique         2.30, 3.32 A)
 &rst
  ixpk= 2736, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1165,1166,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#   77 ILE  QG2          79 LEU  MDX         3.50    (#   2737:25  Unique         2.09, 4.59 A)
 &rst
  ixpk= 2737, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1137,1138,1139,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#    6 PHE  HB+          79 LEU  MDX         3.50    (#   2738:25  Unique         2.75, 5.56 A)
 &rst
  ixpk= 2738, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 102, 103,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#   15 SER  HA           79 LEU  MDX         3.50    (#   2739:25  Unique         2.21, 3.55 A)
 &rst
  ixpk= 2739, nxpk= 25, iat= 253,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#    0 AMB  25-2:2741    79 LEU  MDX         4.50    (#   2741:25  Single Ambig)
 &rst
  ixpk= 2741, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1163, 100,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#    6 PHE  HD           79 LEU  MDX         4.50    (#   2742:25  Unique         2.31, 6.17 A)
 &rst
  ixpk= 2742, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 106, 114,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#    7 VAL  HN           79 LEU  MDX         5.50    (#   2743:25  Unique         2.68, 5.11 A)
 &rst
  ixpk= 2743, nxpk= 25, iat= 118,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#  122 ARG  HN          122 ARG  HG+         3.50    (#   2744:25  Unique         2.33, 3.67 A)
 &rst
  ixpk= 2744, nxpk= 25, iat=1833,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1840,1841,
 &end
#
#  122 ARG  HN          122 ARG  HG-         3.50    (#   2745:25  Unique         2.33, 3.67 A)
 &rst
  ixpk= 2745, nxpk= 25, iat=1833,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1840,1841,
 &end
#
#  122 ARG  HA          122 ARG  HG+         3.50    (#   2746:25  Unique         2.19, 2.97 A)
 &rst
  ixpk= 2746, nxpk= 25, iat=1835,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1840,1841,
 &end
#
#  122 ARG  HA          122 ARG  HG-         3.50    (#   2747:25  Unique         2.19, 2.97 A)
 &rst
  ixpk= 2747, nxpk= 25, iat=1835,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1840,1841,
 &end
#
#  122 ARG  HB-         122 ARG  HG+         4.50    (#   2748:25  Unique         2.26, 2.65 A)
 &rst
  ixpk= 2748, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1837,1838,
 igr2=1840,1841,
 &end
#
#  122 ARG  HB-         122 ARG  HG-         3.50    (#   2749:25  Unique         2.26, 2.65 A)
 &rst
  ixpk= 2749, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1837,1838,
 igr2=1840,1841,
 &end
#
#  127 ILE  HG1-        126 LEU  HG          3.50    (#   2750:25  Unique         3.61, 4.43 A)
 &rst
  ixpk= 2750, nxpk= 25, iat=  -1,1909, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1931,1932,
 &end
#
#   86 LEU  HB+          86 LEU  MDY         2.80    (#   2751:25  Unique         2.38, 3.33 A)
 &rst
  ixpk= 2751, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1250,1251,
 igr2=1255,1256,1257,1259,1260,1261,
 &end
#
#   76 VAL  MGX          86 LEU  MDY         5.50    (#   2752:25  Unique         2.87, 6.55 A)
 &rst
  ixpk= 2752, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1=1121,1122,1123,1125,1126,1127,
 igr2=1255,1256,1257,1259,1260,1261,
 &end
#
#   90 TRP  HB-          86 LEU  MDY         4.50    (#   2753:25  Unique         2.33, 4.32 A)
 &rst
  ixpk= 2753, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1312,1313,
 igr2=1255,1256,1257,1259,1260,1261,
 &end
#
#    0 AMB  25-2:2754    86 LEU  MDY         3.50    (#   2754:25  Single Ambig)
 &rst
  ixpk= 2754, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1=1312,1313,1266,1267,
 igr2=1255,1256,1257,1259,1260,1261,
 &end
#
#   78 SER  HB+          86 LEU  MDY         3.50    (#   2755:25  Unique         2.34, 4.49 A)
 &rst
  ixpk= 2755, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1154,1155,
 igr2=1255,1256,1257,1259,1260,1261,
 &end
#
#   86 LEU  HA           86 LEU  MDY         4.50    (#   2756:25  Unique         2.16, 3.84 A)
 &rst
  ixpk= 2756, nxpk= 25, iat=1248,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1255,1256,1257,1259,1260,1261,
 &end
#
#   96 PHE  HD           86 LEU  MDY         4.50    (#   2758:25  Unique         4.01, 7.20 A)
 &rst
  ixpk= 2758, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1421,1429,
 igr2=1255,1256,1257,1259,1260,1261,
 &end
#
#    7 VAL  MGY          86 LEU  MDY         4.50    (#   2759:25  Unique         3.21, 5.73 A)
 &rst
  ixpk= 2759, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1= 124, 125, 126, 128, 129, 130,
 igr2=1255,1256,1257,1259,1260,1261,
 &end
#
#   41 ARG  HD+          41 ARG  HG+         3.50    (#   2762:25  Unique         2.24, 2.71 A)
 &rst
  ixpk= 2762, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 613, 614,
 igr2= 610, 611,
 &end
#
#   37 LEU  MDY          41 ARG  HG+         4.50    (#   2763:25  Unique         3.26, 6.35 A)
 &rst
  ixpk= 2763, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 556, 557, 558, 560, 561, 562,
 igr2= 610, 611,
 &end
#
#  116 ARG  HG+         120 LYS  HG+         5.50    (#   2766:25  Unique         3.73, 4.99 A)
 &rst
  ixpk= 2766, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1739,1740,
 igr2=1803,1804,
 &end
#
#  118 GLN  HG-         120 LYS  HG+         5.50    (#   2767:25  Unique         6.36, 7.34 A)
 &rst
  ixpk= 2767, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1770,1771,
 igr2=1803,1804,
 &end
#
#    0 AMB  25-2:2770    49 MET  ME          3.50    (#   2770:25  Single Ambig)
 &rst
  ixpk= 2770, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1610, 719,
 igr2= 738, 739, 740,
 &end
#
#   52 GLU  HG+          49 MET  ME          3.50    (#   2771:25  Unique         2.37, 4.29 A)
 &rst
  ixpk= 2771, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 783, 784,
 igr2= 738, 739, 740,
 &end
#
#   45 THR  MG2          49 MET  ME          3.50    (#   2772:25  Unique         2.77, 5.37 A)
 &rst
  ixpk= 2772, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 680, 681, 682,
 igr2= 738, 739, 740,
 &end
#
#   49 MET  HN           49 MET  ME          4.50    (#   2773:25  Unique         2.86, 4.63 A)
 &rst
  ixpk= 2773, nxpk= 25, iat= 727,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 738, 739, 740,
 &end
#
#    0 AMB  25-2:2775    76 VAL  MGX         5.50    (#   2775:25  Single Ambig)
 &rst
  ixpk= 2775, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=1099,1308,1362,
 igr2=1121,1122,1123,1125,1126,1127,
 &end
#
#   76 VAL  HN           76 VAL  MGX         3.50    (#   2776:25  Unique         2.36, 4.19 A)
 &rst
  ixpk= 2776, nxpk= 25, iat=1115,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1121,1122,1123,1125,1126,1127,
 &end
#
#   96 PHE  HD           76 VAL  MGX         4.50    (#   2777:25  Unique         2.12, 5.66 A)
 &rst
  ixpk= 2777, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1421,1429,
 igr2=1121,1122,1123,1125,1126,1127,
 &end
#
#   90 TRP  HZ3          76 VAL  MGX         4.50    (#   2779:25  Unique         2.41, 3.70 A)
 &rst
  ixpk= 2779, nxpk= 25, iat=1325,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1121,1122,1123,1125,1126,1127,
 &end
#
#   76 VAL  HA           76 VAL  MGX         2.80    (#   2780:25  Unique         2.45, 3.26 A)
 &rst
  ixpk= 2780, nxpk= 25, iat=1117,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1121,1122,1123,1125,1126,1127,
 &end
#
#   90 TRP  HA           76 VAL  MGX         3.50    (#   2781:25  Unique         2.29, 4.18 A)
 &rst
  ixpk= 2781, nxpk= 25, iat=1310,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1121,1122,1123,1125,1126,1127,
 &end
#
#   90 TRP  HB+          76 VAL  MGX         4.50    (#   2782:25  Unique         2.56, 4.97 A)
 &rst
  ixpk= 2782, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1312,1313,
 igr2=1121,1122,1123,1125,1126,1127,
 &end
#
#   73 TYR  HB-          76 VAL  MGX         3.50    (#   2783:25  Unique         3.00, 5.97 A)
 &rst
  ixpk= 2783, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1070,1071,
 igr2=1121,1122,1123,1125,1126,1127,
 &end
#
#   73 TYR  HB+          76 VAL  MGX         4.50    (#   2784:25  Unique         3.00, 5.97 A)
 &rst
  ixpk= 2784, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1070,1071,
 igr2=1121,1122,1123,1125,1126,1127,
 &end
#
#   93 GLN  HG+          76 VAL  MGX         3.50    (#   2785:25  Unique         2.16, 4.47 A)
 &rst
  ixpk= 2785, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1369,1370,
 igr2=1121,1122,1123,1125,1126,1127,
 &end
#
#   93 GLN  HG-          76 VAL  MGX         4.50    (#   2786:25  Unique         2.16, 4.47 A)
 &rst
  ixpk= 2786, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1369,1370,
 igr2=1121,1122,1123,1125,1126,1127,
 &end
#
#    5 MET  HB+          76 VAL  MGX         3.50    (#   2787:25  Unique         2.14, 4.91 A)
 &rst
  ixpk= 2787, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=  85,  86,
 igr2=1121,1122,1123,1125,1126,1127,
 &end
#
#   86 LEU  MDY          76 VAL  MGX         5.50    (#   2788:25  Unique         2.87, 6.55 A)
 &rst
  ixpk= 2788, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1=1255,1256,1257,1259,1260,1261,
 igr2=1121,1122,1123,1125,1126,1127,
 &end
#
#   75 VAL  MGY          76 VAL  MGX         5.50    (#   2789:25  Unique         4.58, 7.60 A)
 &rst
  ixpk= 2789, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1=1105,1106,1107,1109,1110,1111,
 igr2=1121,1122,1123,1125,1126,1127,
 &end
#
#    0 AMB  25-2:2790    76 VAL  MGX         5.50    (#   2790:25  Single Ambig)
 &rst
  ixpk= 2790, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=  81, 118,
 igr2=1121,1122,1123,1125,1126,1127,
 &end
#
#  116 ARG  HA           50 MET  ME          4.50    (#   2791:25  Unique         4.48, 5.55 A)
 &rst
  ixpk= 2791, nxpk= 25, iat=1734,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 755, 756, 757,
 &end
#
#  112 PHE  HA           50 MET  ME          5.50    (#   2792:25  Unique         4.76, 5.75 A)
 &rst
  ixpk= 2792, nxpk= 25, iat=1660,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 755, 756, 757,
 &end
#
#   49 MET  HA           50 MET  ME          5.50    (#   2793:25  Unique         4.13, 5.61 A)
 &rst
  ixpk= 2793, nxpk= 25, iat= 729,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 755, 756, 757,
 &end
#
#  112 PHE  HD           50 MET  ME          3.50    (#   2795:25  Unique         2.83, 6.14 A)
 &rst
  ixpk= 2795, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1666,1674,
 igr2= 755, 756, 757,
 &end
#
#   50 MET  HN           50 MET  ME          4.50    (#   2796:25  Unique         2.85, 4.36 A)
 &rst
  ixpk= 2796, nxpk= 25, iat= 744,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 755, 756, 757,
 &end
#
#    0 AMB  25-2:2797    50 MET  ME          4.50    (#   2797:25  Single Ambig)
 &rst
  ixpk= 2797, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1732,1678,
 igr2= 755, 756, 757,
 &end
#
#    0 AMB  25-2:2798    50 MET  ME          4.50    (#   2798:25  Single Ambig)
 &rst
  ixpk= 2798, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1=1662,1663, 700,
 igr2= 755, 756, 757,
 &end
#
#   17 MET  HG+          50 MET  ME          3.50    (#   2800:25  Unique         2.18, 4.05 A)
 &rst
  ixpk= 2800, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 286, 287,
 igr2= 755, 756, 757,
 &end
#
#   50 MET  HG+          50 MET  ME          4.50    (#   2801:25  Unique         2.31, 3.31 A)
 &rst
  ixpk= 2801, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 751, 752,
 igr2= 755, 756, 757,
 &end
#
#   49 MET  HG+          50 MET  ME          3.50    (#   2802:25  Unique         3.72, 5.18 A)
 &rst
  ixpk= 2802, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 734, 735,
 igr2= 755, 756, 757,
 &end
#
#   49 MET  HB-          50 MET  ME          3.50    (#   2803:25  Unique         2.08, 3.39 A)
 &rst
  ixpk= 2803, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 731, 732,
 igr2= 755, 756, 757,
 &end
#
#    0 AMB  25-2:2804    50 MET  ME          3.50    (#   2804:25  Single Ambig)
 &rst
  ixpk= 2804, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.06, r4= 6.81,
 igr1= 797, 798, 799, 801, 802, 803, 855, 856, 818,
 igr2= 755, 756, 757,
 &end
#
#   55 ILE  QG2          17 MET  ME          2.80    (#   2805:25  Unique         2.10, 3.61 A)
 &rst
  ixpk= 2805, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 820, 821, 822,
 igr2= 290, 291, 292,
 &end
#
#    0 AMB  25-2:2806    17 MET  ME          4.50    (#   2806:25  Single Ambig)
 &rst
  ixpk= 2806, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.07, r4= 7.82,
 igr1=1806,1807, 386, 387, 388,
 igr2= 290, 291, 292,
 &end
#
#   50 MET  HB-          17 MET  ME          2.80    (#   2807:25  Unique         2.98, 4.55 A)
 &rst
  ixpk= 2807, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 748, 749,
 igr2= 290, 291, 292,
 &end
#
#   50 MET  HG+          17 MET  ME          3.50    (#   2808:25  Unique         2.04, 3.81 A)
 &rst
  ixpk= 2808, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 751, 752,
 igr2= 290, 291, 292,
 &end
#
#   17 MET  HG+          17 MET  ME          5.50    (#   2809:25  Unique         2.39, 3.79 A)
 &rst
  ixpk= 2809, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 286, 287,
 igr2= 290, 291, 292,
 &end
#
#   20 GLY  HA+          17 MET  ME          3.50    (#   2810:25  Unique         2.16, 3.66 A)
 &rst
  ixpk= 2810, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 323, 324,
 igr2= 290, 291, 292,
 &end
#
#   21 PHE  HA           17 MET  ME          4.50    (#   2812:25  Unique         3.54, 4.91 A)
 &rst
  ixpk= 2812, nxpk= 25, iat= 330,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 290, 291, 292,
 &end
#
#   17 MET  HA           17 MET  ME          3.50    (#   2813:25  Unique         1.94, 3.08 A)
 &rst
  ixpk= 2813, nxpk= 25, iat= 281,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 290, 291, 292,
 &end
#
#   21 PHE  HD           17 MET  ME          3.50    (#   2814:25  Unique         3.24, 4.60 A)
 &rst
  ixpk= 2814, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 336, 344,
 igr2= 290, 291, 292,
 &end
#
#   21 PHE  HE           17 MET  ME          4.50    (#   2815:25  Unique         3.62, 4.71 A)
 &rst
  ixpk= 2815, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 338, 342,
 igr2= 290, 291, 292,
 &end
#
#   20 GLY  HN           17 MET  ME          3.50    (#   2816:25  Unique         3.05, 3.86 A)
 &rst
  ixpk= 2816, nxpk= 25, iat= 321,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 290, 291, 292,
 &end
#
#   21 PHE  HN           17 MET  ME          3.50    (#   2817:25  Unique         2.24, 3.36 A)
 &rst
  ixpk= 2817, nxpk= 25, iat= 328,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 290, 291, 292,
 &end
#
#  100 GLN  HE2-        100 GLN  HG+         5.50    (#   2819:25  Unique         2.22, 3.42 A)
 &rst
  ixpk= 2819, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1496,1497,
 igr2=1491,1492,
 &end
#
#   53 VAL  MGX         116 ARG  HD+         3.50    (#   2820:25  Unique         2.17, 4.45 A)
 &rst
  ixpk= 2820, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 797, 798, 799, 801, 802, 803,
 igr2=1742,1743,
 &end
#
#   49 MET  HB-         116 ARG  HD+         4.50    (#   2821:25  Unique         3.30, 5.02 A)
 &rst
  ixpk= 2821, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 731, 732,
 igr2=1742,1743,
 &end
#
#    0 AMB  25-2:2822     0 AMB  25-1:2822   3.50    (#   2822:25  Double Ambig)
 &rst
  ixpk= 2822, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1=1736,1737,1739,1740,
 igr2=1742,1743,1742,1743,
 &end
#
#  116 ARG  HG+         116 ARG  HD+         3.50    (#   2823:25  Unique         2.40, 2.76 A)
 &rst
  ixpk= 2823, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1739,1740,
 igr2=1742,1743,
 &end
#
#  116 ARG  HB+         116 ARG  HD+         4.50    (#   2824:25  Unique         2.15, 2.75 A)
 &rst
  ixpk= 2824, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1736,1737,
 igr2=1742,1743,
 &end
#
#   21 PHE  HD          116 ARG  HD+         5.50    (#   2825:25  Unique         6.06, 7.21 A)
 &rst
  ixpk= 2825, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 336, 344,
 igr2=1742,1743,
 &end
#
#  107 GLN  HN          107 GLN  HB+         4.50    (#   2827:25  Unique         2.14, 2.90 A)
 &rst
  ixpk= 2827, nxpk= 25, iat=1580,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1584,1585,
 &end
#
#    0 AMB  25-2:2828    53 VAL  MGX         4.50    (#   2828:25  Single Ambig)
 &rst
  ixpk= 2828, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 780, 781,1739,1740,
 igr2= 797, 798, 799, 801, 802, 803,
 &end
#
#   37 LEU  MDX          61 THR  HB          5.50    (#   2829:25  Unique         2.04, 4.36 A)
 &rst
  ixpk= 2829, nxpk= 25, iat=  -1, 903, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 556, 557, 558, 560, 561, 562,
 &end
#
#    0 AMB  25-2:2830    65 ILE  QD1         5.50    (#   2830:25  Single Ambig)
 &rst
  ixpk= 2830, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1=1248,1154,1155,
 igr2= 963, 964, 965,
 &end
#
#   73 TYR  HD            3 LYS  HE+         4.50    (#   2831:25  Unique         3.09, 4.65 A)
 &rst
  ixpk= 2831, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1074,1083,
 igr2=  56,  57,
 &end
#
#    0 AMB  25-2:2833     0 AMB  25-1:2833   4.50    (#   2833:25  Double Ambig)
 &rst
  ixpk= 2833, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 510, 511, 512,  85,  86,
 igr2=  56,  57,  56,  57,
 &end
#
#  105 ASP  HA          105 ASP  HB+         3.50    (#   2834:25  Unique         2.43, 2.76 A)
 &rst
  ixpk= 2834, nxpk= 25, iat=1563,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1565,1566,
 &end
#
#  122 ARG  HG+         122 ARG  HB-         4.50    (#   2835:25  Unique         2.26, 2.65 A)
 &rst
  ixpk= 2835, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1840,1841,
 igr2=1837,1838,
 &end
#
#    0 AMB  25-2:2836   126 LEU  HG          5.50    (#   2836:25  Single Ambig)
 &rst
  ixpk= 2836, nxpk= 25, iat=  -1,1909, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1963,1964,  34,  35,
 &end
#
#    0 AMB  25-2:2838     0 AMB  25-1:2838   5.50    (#   2838:25  Double Ambig)
 &rst
  ixpk= 2838, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1= 480,  83,  67,
 igr2=  56,  57,  56,  57,  56,  57,
 &end
#
#    3 LYS  HA            3 LYS  HE+         5.50    (#   2839:25  Unique         4.17, 4.42 A)
 &rst
  ixpk= 2839, nxpk= 25, iat=  45,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  56,  57,
 &end
#
#   96 PHE  HD           78 SER  HB+         4.50    (#   2843:25  Unique         3.72, 6.46 A)
 &rst
  ixpk= 2843, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1421,1429,
 igr2=1154,1155,
 &end
#
#   96 PHE  HD           78 SER  HB-         4.50    (#   2844:25  Unique         3.72, 6.46 A)
 &rst
  ixpk= 2844, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1421,1429,
 igr2=1154,1155,
 &end
#
#   25 LEU  HN           24 THR  HA          3.50    (#   2845:25  Unique         3.59, 3.60 A)
 &rst
  ixpk= 2845, nxpk= 25, iat= 394, 382, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   24 THR  HN           24 THR  HA          3.50    (#   2846:25  Unique         2.83, 2.86 A)
 &rst
  ixpk= 2846, nxpk= 25, iat= 380, 382, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   27 ALA  HN           24 THR  HA          5.50    (#   2847:25  Unique         4.40, 4.59 A)
 &rst
  ixpk= 2847, nxpk= 25, iat= 420, 382, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   55 ILE  QD1          24 THR  HA          5.50    (#   2850:25  Unique         5.37, 6.25 A)
 &rst
  ixpk= 2850, nxpk= 25, iat=  -1, 382, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 827, 828, 829,
 &end
#
#   78 SER  HA           78 SER  HB-         4.50    (#   2851:25  Unique         2.23, 2.60 A)
 &rst
  ixpk= 2851, nxpk= 25, iat=1152,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1154,1155,
 &end
#
#   78 SER  HA           78 SER  HB+         3.50    (#   2852:25  Unique         2.23, 2.60 A)
 &rst
  ixpk= 2852, nxpk= 25, iat=1152,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1154,1155,
 &end
#
#   36 GLY  HN           36 GLY  HA+         4.50    (#   2853:25  Unique         2.21, 2.60 A)
 &rst
  ixpk= 2853, nxpk= 25, iat= 540,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 542, 543,
 &end
#
#    4 VAL  HN            4 VAL  HA          5.50    (#   2860:25  Unique         2.96, 2.97 A)
 &rst
  ixpk= 2860, nxpk= 25, iat=  65,  67, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   17 MET  HB+          17 MET  HA          2.80    (#   2862:25  Unique         2.37, 2.77 A)
 &rst
  ixpk= 2862, nxpk= 25, iat=  -1, 281, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 283, 284,
 &end
#
#  115 VAL  HN          115 VAL  MGX         4.50    (#   2864:25  Unique         2.22, 3.84 A)
 &rst
  ixpk= 2864, nxpk= 25, iat=1716,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1722,1723,1724,1726,1727,1728,
 &end
#
#    0 AMB  25-2:2865   115 VAL  MGX         5.50    (#   2865:25  Single Ambig)
 &rst
  ixpk= 2865, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1520,1780,
 igr2=1722,1723,1724,1726,1727,1728,
 &end
#
#   55 ILE  QG2          24 THR  MG2         5.50    (#   2868:25  Unique         5.82, 7.83 A)
 &rst
  ixpk= 2868, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 820, 821, 822,
 igr2= 386, 387, 388,
 &end
#
#   55 ILE  QD1          24 THR  MG2         3.50    (#   2869:25  Unique         2.57, 4.95 A)
 &rst
  ixpk= 2869, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 827, 828, 829,
 igr2= 386, 387, 388,
 &end
#
#   24 THR  HN           24 THR  MG2         3.50    (#   2871:25  Unique         3.96, 4.30 A)
 &rst
  ixpk= 2871, nxpk= 25, iat= 380,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 386, 387, 388,
 &end
#
#    0 AMB  25-2:2872   114 THR  MG2         5.50    (#   2872:25  Single Ambig)
 &rst
  ixpk= 2872, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.64, r4= 9.39,
 igr1=1767,1768,1720,1682,1683,
 igr2=1708,1709,1710,
 &end
#
#  114 THR  HN          113 ARG  HB-         4.50    (#   2873:25  Unique         2.43, 3.22 A)
 &rst
  ixpk= 2873, nxpk= 25, iat=1702,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1682,1683,
 &end
#
#   99 TRP  HZ2          77 ILE  QD1         3.50    (#   2875:25  Unique         2.37, 3.21 A)
 &rst
  ixpk= 2875, nxpk= 25, iat=1473,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1144,1145,1146,
 &end
#
#    0 AMB  25-2:2880    17 MET  ME          3.50    (#   2880:25  Single Ambig)
 &rst
  ixpk= 2880, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 748, 749, 283, 284,
 igr2= 290, 291, 292,
 &end
#
#   50 MET  HG-          17 MET  ME          2.80    (#   2881:25  Unique         2.04, 3.81 A)
 &rst
  ixpk= 2881, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 751, 752,
 igr2= 290, 291, 292,
 &end
#
#   45 THR  HA           49 MET  ME          5.50    (#   2882:25  Unique         3.84, 6.16 A)
 &rst
  ixpk= 2882, nxpk= 25, iat= 676,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 738, 739, 740,
 &end
#
#  112 PHE  HB-          49 MET  ME          4.50    (#   2884:25  Unique         4.02, 4.96 A)
 &rst
  ixpk= 2884, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1662,1663,
 igr2= 738, 739, 740,
 &end
#
#   50 MET  HN           49 MET  ME          5.50    (#   2885:25  Unique         5.02, 6.37 A)
 &rst
  ixpk= 2885, nxpk= 25, iat= 744,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 738, 739, 740,
 &end
#
#  120 LYS  HN          119 VAL  MGY         5.50    (#   2887:25  Unique         3.40, 4.65 A)
 &rst
  ixpk= 2887, nxpk= 25, iat=1796,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1786,1787,1788,1790,1791,1792,
 &end
#
#   68 PHE  HD            5 MET  ME          3.50    (#   2888:25  Unique         2.55, 4.32 A)
 &rst
  ixpk= 2888, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1006,1014,
 igr2=  92,  93,  94,
 &end
#
#   73 TYR  HE            5 MET  ME          4.50    (#   2889:25  Unique         2.48, 4.17 A)
 &rst
  ixpk= 2889, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1076,1081,
 igr2=  92,  93,  94,
 &end
#
#   73 TYR  HD            5 MET  ME          4.50    (#   2890:25  Unique         3.73, 5.55 A)
 &rst
  ixpk= 2890, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1074,1083,
 igr2=  92,  93,  94,
 &end
#
#    0 AMB  25-2:2891     5 MET  ME          3.50    (#   2891:25  Single Ambig)
 &rst
  ixpk= 2891, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1008,1012,1323,
 igr2=  92,  93,  94,
 &end
#
#   90 TRP  HZ3           5 MET  ME          4.50    (#   2892:25  Unique         4.63, 5.51 A)
 &rst
  ixpk= 2892, nxpk= 25, iat=1325,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=  92,  93,  94,
 &end
#
#    5 MET  HA            5 MET  ME          5.50    (#   2893:25  Unique         3.24, 4.32 A)
 &rst
  ixpk= 2893, nxpk= 25, iat=  83,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=  92,  93,  94,
 &end
#
#   33 THR  HB            5 MET  ME          4.50    (#   2895:25  Unique         2.41, 3.27 A)
 &rst
  ixpk= 2895, nxpk= 25, iat= 508,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=  92,  93,  94,
 &end
#
#   68 PHE  HB+           5 MET  ME          3.50    (#   2896:25  Unique         2.35, 4.36 A)
 &rst
  ixpk= 2896, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1002,1003,
 igr2=  92,  93,  94,
 &end
#
#   68 PHE  HB-           5 MET  ME          4.50    (#   2897:25  Unique         2.35, 4.36 A)
 &rst
  ixpk= 2897, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1002,1003,
 igr2=  92,  93,  94,
 &end
#
#   35 CYS  HB+           5 MET  ME          4.50    (#   2898:25  Unique         2.24, 4.04 A)
 &rst
  ixpk= 2898, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 533, 534,
 igr2=  92,  93,  94,
 &end
#
#   35 CYS  HB-           5 MET  ME          3.50    (#   2899:25  Unique         2.24, 4.04 A)
 &rst
  ixpk= 2899, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 533, 534,
 igr2=  92,  93,  94,
 &end
#
#   70 ALA  HA            5 MET  ME          5.50    (#   2900:25  Unique         4.30, 5.64 A)
 &rst
  ixpk= 2900, nxpk= 25, iat=1034,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=  92,  93,  94,
 &end
#
#   33 THR  MG2           5 MET  ME          2.80    (#   2901:25  Unique         2.38, 4.12 A)
 &rst
  ixpk= 2901, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 510, 511, 512,
 igr2=  92,  93,  94,
 &end
#
#    0 AMB  25-2:2908   125 ASN  HB-         5.50    (#   2908:25  Single Ambig)
 &rst
  ixpk= 2908, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1873,1857,
 igr2=1892,1893,
 &end
#
#   15 SER  HB-          99 TRP  HB+         5.50    (#   2914:25  Unique         5.88, 7.42 A)
 &rst
  ixpk= 2914, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 255, 256,
 igr2=1464,1465,
 &end
#
#   95 ILE  HN           94 GLU  HG-         4.50    (#   2917:25  Unique         2.93, 3.71 A)
 &rst
  ixpk= 2917, nxpk= 25, iat=1394,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1386,1387,
 &end
#
#   68 PHE  HN           65 ILE  HA          3.50    (#   2919:25  Unique         3.56, 3.70 A)
 &rst
  ixpk= 2919, nxpk= 25, iat= 998, 952, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   65 ILE  HG1-         65 ILE  HA          2.80    (#   2920:25  Unique         2.40, 2.76 A)
 &rst
  ixpk= 2920, nxpk= 25, iat=  -1, 952, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 960, 961,
 &end
#
#   85 ASN  HD2-         85 ASN  HB-         4.50    (#   2921:25  Unique         2.30, 3.41 A)
 &rst
  ixpk= 2921, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1241,1242,
 igr2=1236,1237,
 &end
#
#   79 LEU  MDX          79 LEU  HA          3.50    (#   2922:25  Unique         2.34, 4.25 A)
 &rst
  ixpk= 2922, nxpk= 25, iat=  -1,1163, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1170,1171,1172,1174,1175,1176,
 &end
#
#   79 LEU  MDY          79 LEU  HA          3.50    (#   2923:25  Unique         2.34, 4.25 A)
 &rst
  ixpk= 2923, nxpk= 25, iat=  -1,1163, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1170,1171,1172,1174,1175,1176,
 &end
#
#   79 LEU  HB+          79 LEU  HA          2.80    (#   2924:25  Unique         2.33, 2.75 A)
 &rst
  ixpk= 2924, nxpk= 25, iat=  -1,1163, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1165,1166,
 &end
#
#   29 LYS  HA           29 LYS  HD+         3.50    (#   2926:25  Unique         2.14, 2.64 A)
 &rst
  ixpk= 2926, nxpk= 25, iat= 439,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 447, 448,
 &end
#
#    2 LYS  HN            2 LYS  HD-         5.50    (#   2927:25  Unique         1.62, 2.82 A)
 &rst
  ixpk= 2927, nxpk= 25, iat=  21,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  31,  32,
 &end
#
#   10 ARG  HA           10 ARG  HG+         5.50    (#   2928:25  Unique         2.28, 3.20 A)
 &rst
  ixpk= 2928, nxpk= 25, iat= 169,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 174, 175,
 &end
#
#   10 ARG  HA           10 ARG  HG-         3.50    (#   2929:25  Unique         2.28, 3.20 A)
 &rst
  ixpk= 2929, nxpk= 25, iat= 169,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 174, 175,
 &end
#
#   10 ARG  HD+          10 ARG  HG+         3.50    (#   2930:25  Unique         2.25, 2.68 A)
 &rst
  ixpk= 2930, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 177, 178,
 igr2= 174, 175,
 &end
#
#   10 ARG  HD+          10 ARG  HG-         2.80    (#   2931:25  Unique         2.25, 2.68 A)
 &rst
  ixpk= 2931, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 177, 178,
 igr2= 174, 175,
 &end
#
#  116 ARG  HD+          53 VAL  MGY         4.50    (#   2932:25  Unique         2.17, 4.45 A)
 &rst
  ixpk= 2932, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1742,1743,
 igr2= 797, 798, 799, 801, 802, 803,
 &end
#
#   54 GLY  HA-          53 VAL  MGY         5.50    (#   2933:25  Unique         4.51, 6.57 A)
 &rst
  ixpk= 2933, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 809, 810,
 igr2= 797, 798, 799, 801, 802, 803,
 &end
#
#    0 AMB  25-2:2935    53 VAL  MGY         3.50    (#   2935:25  Single Ambig)
 &rst
  ixpk= 2935, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 780, 781,1739,1740,
 igr2= 797, 798, 799, 801, 802, 803,
 &end
#
#   90 TRP  HD1          87 PRO  HG+         4.50    (#   2936:25  Unique         2.21, 3.12 A)
 &rst
  ixpk= 2936, nxpk= 25, iat=1316,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1269,1270,
 &end
#
#   90 TRP  HD1          87 PRO  HG-         4.50    (#   2937:25  Unique         2.21, 3.12 A)
 &rst
  ixpk= 2937, nxpk= 25, iat=1316,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1269,1270,
 &end
#
#    0 AMB  25-2:2938     0 AMB  25-1:2938   4.50    (#   2938:25  Double Ambig)
 &rst
  ixpk= 2938, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1248, 971,
 igr2=1269,1270,1269,1270,
 &end
#
#   87 PRO  HD+          87 PRO  HG+         3.50    (#   2939:25  Unique         2.27, 2.60 A)
 &rst
  ixpk= 2939, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1266,1267,
 igr2=1269,1270,
 &end
#
#   87 PRO  HD+          87 PRO  HG-         3.50    (#   2940:25  Unique         2.27, 2.60 A)
 &rst
  ixpk= 2940, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1266,1267,
 igr2=1269,1270,
 &end
#
#   87 PRO  HD-          87 PRO  HG+         3.50    (#   2941:25  Unique         2.27, 2.60 A)
 &rst
  ixpk= 2941, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1266,1267,
 igr2=1269,1270,
 &end
#
#   87 PRO  HD-          87 PRO  HG-         3.50    (#   2942:25  Unique         2.27, 2.60 A)
 &rst
  ixpk= 2942, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1266,1267,
 igr2=1269,1270,
 &end
#
#   87 PRO  HB+          87 PRO  HG+         2.80    (#   2943:25  Unique         2.28, 2.61 A)
 &rst
  ixpk= 2943, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1272,1273,
 igr2=1269,1270,
 &end
#
#   87 PRO  HB+          87 PRO  HG-         2.80    (#   2944:25  Unique         2.28, 2.61 A)
 &rst
  ixpk= 2944, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1272,1273,
 igr2=1269,1270,
 &end
#
#    0 AMB  25-2:2945     0 AMB  25-1:2945   4.50    (#   2945:25  Double Ambig)
 &rst
  ixpk= 2945, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.02, r4= 8.77,
 igr1= 960, 961,1255,1256,1257,1259,1260,1261,
 igr2=1269,1270,1269,1270,
 &end
#
#   65 ILE  HG1-         87 PRO  HG-         4.50    (#   2946:25  Unique         4.20, 5.96 A)
 &rst
  ixpk= 2946, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 960, 961,
 igr2=1269,1270,
 &end
#
#   65 ILE  QD1          87 PRO  HG+         5.50    (#   2947:25  Unique         4.49, 6.07 A)
 &rst
  ixpk= 2947, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 963, 964, 965,
 igr2=1269,1270,
 &end
#
#  100 GLN  HB+         100 GLN  HA          2.80    (#   2950:25  Unique         2.24, 2.58 A)
 &rst
  ixpk= 2950, nxpk= 25, iat=  -1,1486, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1488,1489,
 &end
#
#   34 SER  HN           19 GLU  HB+         4.50    (#   2951:25  Unique         4.38, 5.02 A)
 &rst
  ixpk= 2951, nxpk= 25, iat= 518,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 310, 311,
 &end
#
#   60 GLN  HE2-         19 GLU  HB+         5.50    (#   2952:25  Unique         1.88, 3.20 A)
 &rst
  ixpk= 2952, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 894, 895,
 igr2= 310, 311,
 &end
#
#   79 LEU  MDX          79 LEU  HB-         3.50    (#   2953:25  Unique         2.30, 3.32 A)
 &rst
  ixpk= 2953, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1170,1171,1172,1174,1175,1176,
 igr2=1165,1166,
 &end
#
#   79 LEU  MDY          79 LEU  HB-         3.50    (#   2954:25  Unique         2.30, 3.32 A)
 &rst
  ixpk= 2954, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1170,1171,1172,1174,1175,1176,
 igr2=1165,1166,
 &end
#
#   79 LEU  HG           79 LEU  HB-         3.50    (#   2955:25  Unique         2.39, 2.83 A)
 &rst
  ixpk= 2955, nxpk= 25, iat=1168,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1165,1166,
 &end
#
#  100 GLN  HB-          79 LEU  HB-         5.50    (#   2956:25  Unique         5.93, 7.59 A)
 &rst
  ixpk= 2956, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1488,1489,
 igr2=1165,1166,
 &end
#
#   79 LEU  HA           79 LEU  HB+         4.50    (#   2959:25  Unique         2.33, 2.75 A)
 &rst
  ixpk= 2959, nxpk= 25, iat=1163,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1165,1166,
 &end
#
#   79 LEU  HA           79 LEU  HB-         4.50    (#   2960:25  Unique         2.33, 2.75 A)
 &rst
  ixpk= 2960, nxpk= 25, iat=1163,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1165,1166,
 &end
#
#   14 ARG  HD+          79 LEU  HB-         4.50    (#   2961:25  Unique         2.62, 4.80 A)
 &rst
  ixpk= 2961, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 237, 238,
 igr2=1165,1166,
 &end
#
#   10 ARG  HG-          10 ARG  HA          3.50    (#   2962:25  Unique         2.28, 3.20 A)
 &rst
  ixpk= 2962, nxpk= 25, iat=  -1, 169, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 174, 175,
 &end
#
#   10 ARG  HB+          10 ARG  HA          3.50    (#   2963:25  Unique         2.40, 2.84 A)
 &rst
  ixpk= 2963, nxpk= 25, iat=  -1, 169, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 171, 172,
 &end
#
#   10 ARG  HB-          10 ARG  HA          3.50    (#   2964:25  Unique         2.40, 2.84 A)
 &rst
  ixpk= 2964, nxpk= 25, iat=  -1, 169, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 171, 172,
 &end
#
#   38 GLU  HG-          10 ARG  HA          4.50    (#   2966:25  Unique         2.51, 4.74 A)
 &rst
  ixpk= 2966, nxpk= 25, iat=  -1, 169, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 573, 574,
 &end
#
#   10 ARG  HD+          10 ARG  HA          4.50    (#   2967:25  Unique         2.11, 3.39 A)
 &rst
  ixpk= 2967, nxpk= 25, iat=  -1, 169, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 177, 178,
 &end
#
#   10 ARG  HN           10 ARG  HA          4.50    (#   2968:25  Unique         2.21, 2.45 A)
 &rst
  ixpk= 2968, nxpk= 25, iat= 167, 169, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  104 PRO  HA          107 GLN  HB+         4.50    (#   2969:25  Unique         2.38, 3.48 A)
 &rst
  ixpk= 2969, nxpk= 25, iat=1557,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1584,1585,
 &end
#
#  100 GLN  HE2+        100 GLN  HG-         3.50    (#   2970:25  Unique         2.22, 3.42 A)
 &rst
  ixpk= 2970, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1496,1497,
 igr2=1491,1492,
 &end
#
#  100 GLN  HN          100 GLN  HG+         5.50    (#   2971:25  Unique         1.87, 3.43 A)
 &rst
  ixpk= 2971, nxpk= 25, iat=1484,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1491,1492,
 &end
#
#  120 LYS  HE-          25 LEU  MDY         3.50    (#   2972:25  Unique         2.27, 4.75 A)
 &rst
  ixpk= 2972, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1809,1810,
 igr2= 403, 404, 405, 407, 408, 409,
 &end
#
#  120 LYS  HE+          25 LEU  MDY         3.50    (#   2973:25  Unique         2.27, 4.75 A)
 &rst
  ixpk= 2973, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1809,1810,
 igr2= 403, 404, 405, 407, 408, 409,
 &end
#
#  129 LYS  HN          129 LYS  HG+         3.50    (#   2974:25  Unique         2.18, 2.95 A)
 &rst
  ixpk= 2974, nxpk= 25, iat=1950,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1957,1958,
 &end
#
#  122 ARG  HN          123 VAL  MGY         5.50    (#   2975:25  Unique         4.39, 6.14 A)
 &rst
  ixpk= 2975, nxpk= 25, iat=1833,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1863,1864,1865,1867,1868,1869,
 &end
#
#   87 PRO  HD+          86 LEU  MDX         4.50    (#   2979:25  Unique         2.72, 4.99 A)
 &rst
  ixpk= 2979, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1266,1267,
 igr2=1255,1256,1257,1259,1260,1261,
 &end
#
#  129 LYS  HB+         129 LYS  HE+         3.50    (#   2982:25  Unique         2.28, 4.11 A)
 &rst
  ixpk= 2982, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1954,1955,
 igr2=1963,1964,
 &end
#
#    0 AMB  25-2:2983     0 AMB  25-1:2983   5.50    (#   2983:25  Double Ambig)
 &rst
  ixpk= 2983, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1163,1462,
 igr2=1452,1453,1452,1453,
 &end
#
#  122 ARG  HD+         122 ARG  HG+         3.50    (#   2984:25  Unique         2.37, 2.74 A)
 &rst
  ixpk= 2984, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1843,1844,
 igr2=1840,1841,
 &end
#
#  122 ARG  HD+         122 ARG  HG-         3.50    (#   2985:25  Unique         2.37, 2.74 A)
 &rst
  ixpk= 2985, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1843,1844,
 igr2=1840,1841,
 &end
#
#   99 TRP  HE3          79 LEU  MDY         3.50    (#   2986:25  Unique         2.43, 4.47 A)
 &rst
  ixpk= 2986, nxpk= 25, iat=1479,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#   99 TRP  HZ3          79 LEU  MDY         5.50    (#   2987:25  Unique         3.76, 6.06 A)
 &rst
  ixpk= 2987, nxpk= 25, iat=1477,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#   79 LEU  HA           79 LEU  MDY         4.50    (#   2988:25  Unique         2.34, 4.25 A)
 &rst
  ixpk= 2988, nxpk= 25, iat=1163,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#   99 TRP  HB-          79 LEU  MDY         4.50    (#   2989:25  Unique         2.25, 4.43 A)
 &rst
  ixpk= 2989, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1464,1465,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#   99 TRP  HB+          79 LEU  MDY         4.50    (#   2990:25  Unique         2.25, 4.43 A)
 &rst
  ixpk= 2990, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1464,1465,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#   79 LEU  HB+          79 LEU  MDY         3.50    (#   2991:25  Unique         2.30, 3.32 A)
 &rst
  ixpk= 2991, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1165,1166,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#   79 LEU  HG           79 LEU  MDY         3.50    (#   2993:25  Unique         2.27, 2.65 A)
 &rst
  ixpk= 2993, nxpk= 25, iat=1168,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#   18 ALA  MB           79 LEU  MDY         4.50    (#   2995:25  Unique         3.25, 5.25 A)
 &rst
  ixpk= 2995, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 300, 301, 302,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#   79 LEU  HA           79 LEU  HG          4.50    (#   2996:25  Unique         2.26, 2.47 A)
 &rst
  ixpk= 2996, nxpk= 25, iat=1163,1168, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   79 LEU  MDY          79 LEU  HG          3.50    (#   2997:25  Unique         2.27, 2.65 A)
 &rst
  ixpk= 2997, nxpk= 25, iat=  -1,1168, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1170,1171,1172,1174,1175,1176,
 &end
#
#   79 LEU  MDX          79 LEU  HG          2.80    (#   2998:25  Unique         2.27, 2.65 A)
 &rst
  ixpk= 2998, nxpk= 25, iat=  -1,1168, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1170,1171,1172,1174,1175,1176,
 &end
#
#  120 LYS  HB-         120 LYS  HE+         5.50    (#   2999:25  Unique         2.13, 3.73 A)
 &rst
  ixpk= 2999, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1800,1801,
 igr2=1809,1810,
 &end
#
#  104 PRO  HG+         104 PRO  HD-         3.50    (#   3000:25  Unique         2.20, 2.57 A)
 &rst
  ixpk= 3000, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1551,1552,
 igr2=1548,1549,
 &end
#
#  104 PRO  HG+         104 PRO  HD+         3.50    (#   3001:25  Unique         2.20, 2.57 A)
 &rst
  ixpk= 3001, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1551,1552,
 igr2=1548,1549,
 &end
#
#   51 GLU  HA           53 VAL  MGX         5.50    (#   3002:25  Unique         5.08, 6.67 A)
 &rst
  ixpk= 3002, nxpk= 25, iat= 763,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 797, 798, 799, 801, 802, 803,
 &end
#
#   49 MET  HA           53 VAL  MGX         5.50    (#   3003:25  Unique         4.62, 6.70 A)
 &rst
  ixpk= 3003, nxpk= 25, iat= 729,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 797, 798, 799, 801, 802, 803,
 &end
#
#   96 PHE  HB-          91 VAL  MGY         5.50    (#   3005:25  Unique         3.79, 6.16 A)
 &rst
  ixpk= 3005, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1417,1418,
 igr2=1338,1339,1340,1342,1343,1344,
 &end
#
#    0 AMB  25-2:3007     0 AMB  25-1:3007   2.80    (#   3007:25  Double Ambig)
 &rst
  ixpk= 3007, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 306, 321,
 igr2= 310, 311, 310, 311,
 &end
#
#   79 LEU  HG           79 LEU  HB+         5.50    (#   3008:25  Unique         2.39, 2.83 A)
 &rst
  ixpk= 3008, nxpk= 25, iat=1168,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1165,1166,
 &end
#
#    0 AMB  25-2:3009   112 PHE  HA          5.50    (#   3009:25  Single Ambig)
 &rst
  ixpk= 3009, nxpk= 25, iat=  -1,1660, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1548,1549,1629,
 &end
#
#   41 ARG  HA           62 SER  HB+         5.50    (#   3010:25  Unique         2.82, 5.00 A)
 &rst
  ixpk= 3010, nxpk= 25, iat= 605,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 917, 918,
 &end
#
#  113 ARG  HD-          49 MET  ME          5.50    (#   3012:25  Unique         3.01, 5.48 A)
 &rst
  ixpk= 3012, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1688,1689,
 igr2= 738, 739, 740,
 &end
#
#    5 MET  HG+          34 SER  HA          5.50    (#   3013:25  Unique         3.96, 4.80 A)
 &rst
  ixpk= 3013, nxpk= 25, iat=  -1, 520, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  88,  89,
 &end
#
#    0 AMB  25-2:3014    34 SER  HA          5.50    (#   3014:25  Single Ambig)
 &rst
  ixpk= 3014, nxpk= 25, iat=  -1, 520, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 100, 531,
 &end
#
#   88 PRO  HA           87 PRO  HB+         4.50    (#   3015:25  Unique         4.80, 5.29 A)
 &rst
  ixpk= 3015, nxpk= 25, iat=1289,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1272,1273,
 &end
#
#   21 PHE  HB+         123 VAL  HB          3.50    (#   3016:25  Unique         3.44, 3.79 A)
 &rst
  ixpk= 3016, nxpk= 25, iat=  -1,1861, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 332, 333,
 &end
#
#  112 PHE  HB+         111 VAL  HB          5.50    (#   3017:25  Unique         4.90, 5.67 A)
 &rst
  ixpk= 3017, nxpk= 25, iat=  -1,1646, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1662,1663,
 &end
#
#  120 LYS  HE-         123 VAL  HB          4.50    (#   3018:25  Unique         4.22, 4.71 A)
 &rst
  ixpk= 3018, nxpk= 25, iat=  -1,1861, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1809,1810,
 &end
#
#  120 LYS  HA          123 VAL  HB          2.80    (#   3019:25  Unique         2.63, 2.82 A)
 &rst
  ixpk= 3019, nxpk= 25, iat=1798,1861, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   90 TRP  HD1          87 PRO  HB-         3.50    (#   3020:25  Unique         2.29, 4.05 A)
 &rst
  ixpk= 3020, nxpk= 25, iat=1316,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1272,1273,
 &end
#
#   88 PRO  HD+          87 PRO  HB-         2.80    (#   3021:25  Unique         2.25, 3.02 A)
 &rst
  ixpk= 3021, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1280,1281,
 igr2=1272,1273,
 &end
#
#   87 PRO  HD-          87 PRO  HB+         3.50    (#   3023:25  Unique         3.10, 3.78 A)
 &rst
  ixpk= 3023, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1266,1267,
 igr2=1272,1273,
 &end
#
#   67 ASN  HD2+         64 PRO  HD+         4.50    (#   3027:25  Unique         2.25, 4.31 A)
 &rst
  ixpk= 3027, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 993, 994,
 igr2= 937, 938,
 &end
#
#   64 PRO  HG+          64 PRO  HD+         3.50    (#   3028:25  Unique         2.32, 2.60 A)
 &rst
  ixpk= 3028, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 940, 941,
 igr2= 937, 938,
 &end
#
#    0 AMB  25-2:3029     0 AMB  25-1:3029   3.50    (#   3029:25  Double Ambig)
 &rst
  ixpk= 3029, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 988, 989, 943, 944,
 igr2= 937, 938, 937, 938,
 &end
#
#   64 PRO  HB-          64 PRO  HD+         2.80    (#   3030:25  Unique         2.67, 3.66 A)
 &rst
  ixpk= 3030, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 943, 944,
 igr2= 937, 938,
 &end
#
#   87 PRO  HB-          87 PRO  HD-         3.50    (#   3031:25  Unique         3.10, 3.78 A)
 &rst
  ixpk= 3031, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1272,1273,
 igr2=1266,1267,
 &end
#
#   86 LEU  MDX          87 PRO  HD+         4.50    (#   3034:25  Unique         2.72, 4.99 A)
 &rst
  ixpk= 3034, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1255,1256,1257,1259,1260,1261,
 igr2=1266,1267,
 &end
#
#   86 LEU  MDX          87 PRO  HD-         4.50    (#   3035:25  Unique         2.72, 4.99 A)
 &rst
  ixpk= 3035, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1255,1256,1257,1259,1260,1261,
 igr2=1266,1267,
 &end
#
#    6 PHE  HE           77 ILE  QG2         3.50    (#   3036:25  Unique         2.30, 5.37 A)
 &rst
  ixpk= 3036, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 108, 112,
 igr2=1137,1138,1139,
 &end
#
#   47 ILE  QD1          47 ILE  HA          2.80    (#   3037:25  Unique         2.67, 3.59 A)
 &rst
  ixpk= 3037, nxpk= 25, iat=  -1, 700, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 711, 712, 713,
 &end
#
#   21 PHE  HD          119 VAL  HB          3.50    (#   3039:25  Unique         2.98, 5.36 A)
 &rst
  ixpk= 3039, nxpk= 25, iat=  -1,1784, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 336, 344,
 &end
#
#   22 ALA  HN           18 ALA  HA          5.50    (#   3040:25  Unique         3.64, 3.76 A)
 &rst
  ixpk= 3040, nxpk= 25, iat= 348, 298, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  104 PRO  HA          107 GLN  HG-         3.50    (#   3041:25  Unique         1.99, 2.62 A)
 &rst
  ixpk= 3041, nxpk= 25, iat=1557,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1587,1588,
 &end
#
#    0 AMB  25-2:3043   117 GLY  HA-         4.50    (#   3043:25  Single Ambig)
 &rst
  ixpk= 3043, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1784,1767,1768,
 igr2=1758,1759,
 &end
#
#   21 PHE  HB-          17 MET  ME          4.50    (#   3045:25  Unique         3.42, 5.40 A)
 &rst
  ixpk= 3045, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 332, 333,
 igr2= 290, 291, 292,
 &end
#
#   35 CYS  HN            8 CYS  HB-         5.50    (#   3050:25  Unique         3.89, 5.30 A)
 &rst
  ixpk= 3050, nxpk= 25, iat= 529,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 138, 139,
 &end
#
#    8 CYS  HA            8 CYS  HB-         4.50    (#   3051:25  Unique         2.31, 2.76 A)
 &rst
  ixpk= 3051, nxpk= 25, iat= 136,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 138, 139,
 &end
#
#   90 TRP  HN           89 GLU  HB-         5.50    (#   3055:25  Unique         2.39, 3.39 A)
 &rst
  ixpk= 3055, nxpk= 25, iat=1308,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1297,1298,
 &end
#
#   90 TRP  HN           89 GLU  HB+         5.50    (#   3056:25  Unique         2.39, 3.39 A)
 &rst
  ixpk= 3056, nxpk= 25, iat=1308,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1297,1298,
 &end
#
#  112 PHE  HB+          49 MET  ME          4.50    (#   3057:25  Unique         4.02, 4.96 A)
 &rst
  ixpk= 3057, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1662,1663,
 igr2= 738, 739, 740,
 &end
#
#   86 LEU  HG           85 ASN  HA          5.50    (#   3061:25  Unique         3.78, 4.23 A)
 &rst
  ixpk= 3061, nxpk= 25, iat=1253,1234, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   86 LEU  HB+          90 TRP  HB+         5.50    (#   3063:25  Unique         2.18, 2.93 A)
 &rst
  ixpk= 3063, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1250,1251,
 igr2=1312,1313,
 &end
#
#   52 GLU  HG+          52 GLU  HB-         2.80    (#   3066:25  Unique         2.20, 2.71 A)
 &rst
  ixpk= 3066, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 783, 784,
 igr2= 780, 781,
 &end
#
#  127 ILE  HA          126 LEU  HG          5.50    (#   3067:25  Unique         3.40, 3.48 A)
 &rst
  ixpk= 3067, nxpk= 25, iat=1923,1909, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  25-2:3068     8 CYS  HA          4.50    (#   3068:25  Single Ambig)
 &rst
  ixpk= 3068, nxpk= 25, iat=  -1, 136, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 138, 139, 255, 256,
 &end
#
#    8 CYS  HB-           8 CYS  HA          4.50    (#   3069:25  Unique         2.31, 2.76 A)
 &rst
  ixpk= 3069, nxpk= 25, iat=  -1, 136, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 138, 139,
 &end
#
#   37 LEU  MDX          12 SER  HB+         3.50    (#   3071:25  Unique         2.12, 5.44 A)
 &rst
  ixpk= 3071, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 556, 557, 558, 560, 561, 562,
 igr2= 209, 210,
 &end
#
#   37 LEU  MDY          12 SER  HB+         3.50    (#   3072:25  Unique         2.12, 5.44 A)
 &rst
  ixpk= 3072, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 556, 557, 558, 560, 561, 562,
 igr2= 209, 210,
 &end
#
#    0 AMB  25-2:3073     0 AMB  25-1:3073   3.50    (#   3073:25  Double Ambig)
 &rst
  ixpk= 3073, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 551, 552, 266, 267, 554,
 igr2= 209, 210, 209, 210, 209, 210,
 &end
#
#   16 GLN  HB-          12 SER  HB+         3.50    (#   3075:25  Unique         2.20, 3.86 A)
 &rst
  ixpk= 3075, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 266, 267,
 igr2= 209, 210,
 &end
#
#   37 LEU  HN           12 SER  HB+         5.50    (#   3077:25  Unique         4.83, 5.91 A)
 &rst
  ixpk= 3077, nxpk= 25, iat= 547,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 209, 210,
 &end
#
#   12 SER  HN           12 SER  HB+         4.50    (#   3078:25  Unique         2.33, 3.18 A)
 &rst
  ixpk= 3078, nxpk= 25, iat= 205,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 209, 210,
 &end
#
#    0 AMB  25-2:3079     0 AMB  25-1:3079   4.50    (#   3079:25  Double Ambig)
 &rst
  ixpk= 3079, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1524,1525, 174, 175,
 igr2=1557, 229,
 &end
#
#   18 ALA  HN           15 SER  HA          5.50    (#   3080:25  Unique         2.94, 3.18 A)
 &rst
  ixpk= 3080, nxpk= 25, iat= 296, 253, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  116 ARG  HD+         116 ARG  HG+         3.50    (#   3086:25  Unique         2.40, 2.76 A)
 &rst
  ixpk= 3086, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1742,1743,
 igr2=1739,1740,
 &end
#
#  116 ARG  HD+         116 ARG  HG-         4.50    (#   3087:25  Unique         2.40, 2.76 A)
 &rst
  ixpk= 3087, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1742,1743,
 igr2=1739,1740,
 &end
#
#  116 ARG  HA          116 ARG  HG+         3.50    (#   3088:25  Unique         3.22, 3.54 A)
 &rst
  ixpk= 3088, nxpk= 25, iat=1734,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1739,1740,
 &end
#
#  116 ARG  HA          116 ARG  HG-         3.50    (#   3089:25  Unique         3.22, 3.54 A)
 &rst
  ixpk= 3089, nxpk= 25, iat=1734,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1739,1740,
 &end
#
#   21 PHE  HD          116 ARG  HG+         4.50    (#   3090:25  Unique         4.79, 6.30 A)
 &rst
  ixpk= 3090, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 336, 344,
 igr2=1739,1740,
 &end
#
#   21 PHE  HE          116 ARG  HG+         4.50    (#   3091:25  Unique         2.36, 4.31 A)
 &rst
  ixpk= 3091, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 338, 342,
 igr2=1739,1740,
 &end
#
#   21 PHE  HD          116 ARG  HG-         4.50    (#   3092:25  Unique         4.79, 6.30 A)
 &rst
  ixpk= 3092, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 336, 344,
 igr2=1739,1740,
 &end
#
#   21 PHE  HE          116 ARG  HG-         4.50    (#   3093:25  Unique         2.36, 4.31 A)
 &rst
  ixpk= 3093, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 338, 342,
 igr2=1739,1740,
 &end
#
#  116 ARG  HD-         116 ARG  HG+         3.50    (#   3094:25  Unique         2.40, 2.76 A)
 &rst
  ixpk= 3094, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1742,1743,
 igr2=1739,1740,
 &end
#
#  116 ARG  HD-         116 ARG  HG-         4.50    (#   3095:25  Unique         2.40, 2.76 A)
 &rst
  ixpk= 3095, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1742,1743,
 igr2=1739,1740,
 &end
#
#   53 VAL  MGX         116 ARG  HG-         4.50    (#   3097:25  Unique         3.62, 5.66 A)
 &rst
  ixpk= 3097, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 797, 798, 799, 801, 802, 803,
 igr2=1739,1740,
 &end
#
#   57 ILE  QD1          16 GLN  HB-         4.50    (#   3098:25  Unique         3.09, 5.25 A)
 &rst
  ixpk= 3098, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 858, 859, 860,
 igr2= 266, 267,
 &end
#
#   37 LEU  MDX          16 GLN  HB-         4.50    (#   3099:25  Unique         2.49, 6.08 A)
 &rst
  ixpk= 3099, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 556, 557, 558, 560, 561, 562,
 igr2= 266, 267,
 &end
#
#   16 GLN  HA           16 GLN  HB-         3.50    (#   3100:25  Unique         2.23, 2.59 A)
 &rst
  ixpk= 3100, nxpk= 25, iat= 264,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 266, 267,
 &end
#
#   16 GLN  HA           16 GLN  HB+         3.50    (#   3101:25  Unique         2.23, 2.59 A)
 &rst
  ixpk= 3101, nxpk= 25, iat= 264,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 266, 267,
 &end
#
#   16 GLN  HN           16 GLN  HB-         5.50    (#   3102:25  Unique         2.19, 2.80 A)
 &rst
  ixpk= 3102, nxpk= 25, iat= 262,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 266, 267,
 &end
#
#   16 GLN  HN           16 GLN  HB+         5.50    (#   3103:25  Unique         2.19, 2.80 A)
 &rst
  ixpk= 3103, nxpk= 25, iat= 262,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 266, 267,
 &end
#
#   14 ARG  HN           16 GLN  HB-         5.50    (#   3104:25  Unique         5.12, 6.27 A)
 &rst
  ixpk= 3104, nxpk= 25, iat= 227,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 266, 267,
 &end
#
#  126 LEU  MDY         124 GLU  HA          4.50    (#   3109:25  Unique         4.58, 7.00 A)
 &rst
  ixpk= 3109, nxpk= 25, iat=  -1,1875, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1911,1912,1913,1915,1916,1917,
 &end
#
#   49 MET  HA           52 GLU  HB-         4.50    (#   3111:25  Unique         2.33, 3.80 A)
 &rst
  ixpk= 3111, nxpk= 25, iat= 729,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 780, 781,
 &end
#
#   36 GLY  HN           36 GLY  HA-         5.50    (#   3112:25  Unique         2.21, 2.60 A)
 &rst
  ixpk= 3112, nxpk= 25, iat= 540,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 542, 543,
 &end
#
#    8 CYS  HN           36 GLY  HA-         5.50    (#   3113:25  Unique         2.41, 3.94 A)
 &rst
  ixpk= 3113, nxpk= 25, iat= 134,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 542, 543,
 &end
#
#   37 LEU  HN           36 GLY  HA-         3.50    (#   3114:25  Unique         2.21, 3.02 A)
 &rst
  ixpk= 3114, nxpk= 25, iat= 547,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 542, 543,
 &end
#
#    7 VAL  MGX          36 GLY  HA-         4.50    (#   3119:25  Unique         2.49, 6.10 A)
 &rst
  ixpk= 3119, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 124, 125, 126, 128, 129, 130,
 igr2= 542, 543,
 &end
#
#    0 AMB  25-2:3122    75 VAL  HB          4.50    (#   3122:25  Single Ambig)
 &rst
  ixpk= 3122, nxpk= 25, iat=  -1,1103, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1091,1092,1366,1367,
 &end
#
#   29 LYS  HN           29 LYS  HG+         4.50    (#   3124:25  Unique         2.87, 3.46 A)
 &rst
  ixpk= 3124, nxpk= 25, iat= 437,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 444, 445,
 &end
#
#   29 LYS  HN           29 LYS  HG+         3.50    (#   3125:25  Unique         2.87, 3.46 A)
 &rst
  ixpk= 3125, nxpk= 25, iat= 437,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 444, 445,
 &end
#
#    0 AMB  25-2:3126     0 AMB  25-1:3126   4.50    (#   3126:25  Double Ambig)
 &rst
  ixpk= 3126, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 432, 433, 422,
 igr2= 444, 445, 444, 445,
 &end
#
#    2 LYS  HE+          29 LYS  HG+         5.50    (#   3128:25  Unique         5.95, 6.88 A)
 &rst
  ixpk= 3128, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=  34,  35,
 igr2= 444, 445,
 &end
#
#   45 THR  MG2         109 LEU  HA          5.50    (#   3129:25  Unique         3.32, 4.48 A)
 &rst
  ixpk= 3129, nxpk= 25, iat=  -1,1610, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 680, 681, 682,
 &end
#
#  111 VAL  HN          109 LEU  HA          4.50    (#   3130:25  Unique         4.20, 4.33 A)
 &rst
  ixpk= 3130, nxpk= 25, iat=1642,1610, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  110 GLU  HN          109 LEU  HA          5.50    (#   3131:25  Unique         3.49, 3.52 A)
 &rst
  ixpk= 3131, nxpk= 25, iat=1627,1610, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  25-2:3132    68 PHE  HB-         5.50    (#   3132:25  Single Ambig)
 &rst
  ixpk= 3132, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1074,1083,1316,
 igr2=1002,1003,
 &end
#
#   86 LEU  HB-          86 LEU  HA          2.80    (#   3136:25  Unique         2.40, 2.77 A)
 &rst
  ixpk= 3136, nxpk= 25, iat=  -1,1248, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1250,1251,
 &end
#
#   86 LEU  HB+          86 LEU  HA          3.50    (#   3137:25  Unique         2.40, 2.77 A)
 &rst
  ixpk= 3137, nxpk= 25, iat=  -1,1248, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1250,1251,
 &end
#
#   86 LEU  HG           86 LEU  HA          3.50    (#   3138:25  Unique         2.97, 3.13 A)
 &rst
  ixpk= 3138, nxpk= 25, iat=1253,1248, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   87 PRO  HG-          86 LEU  HA          4.50    (#   3139:25  Unique         4.39, 4.57 A)
 &rst
  ixpk= 3139, nxpk= 25, iat=  -1,1248, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1269,1270,
 &end
#
#   86 LEU  HN           86 LEU  HA          4.50    (#   3141:25  Unique         2.82, 2.93 A)
 &rst
  ixpk= 3141, nxpk= 25, iat=1246,1248, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   87 PRO  HG+          87 PRO  HD+         2.80    (#   3142:25  Unique         2.27, 2.60 A)
 &rst
  ixpk= 3142, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1269,1270,
 igr2=1266,1267,
 &end
#
#   87 PRO  HB-          87 PRO  HD+         3.50    (#   3143:25  Unique         3.10, 3.78 A)
 &rst
  ixpk= 3143, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1272,1273,
 igr2=1266,1267,
 &end
#
#   53 VAL  MGX         116 ARG  HD-         4.50    (#   3144:25  Unique         2.17, 4.45 A)
 &rst
  ixpk= 3144, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 797, 798, 799, 801, 802, 803,
 igr2=1742,1743,
 &end
#
#   49 MET  HB-         116 ARG  HD-         4.50    (#   3145:25  Unique         3.30, 5.02 A)
 &rst
  ixpk= 3145, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 731, 732,
 igr2=1742,1743,
 &end
#
#    0 AMB  25-2:3146   116 ARG  HD-         3.50    (#   3146:25  Single Ambig)
 &rst
  ixpk= 3146, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1736,1737,1739,1740,
 igr2=1742,1743,
 &end
#
#  116 ARG  HG+         116 ARG  HD-         3.50    (#   3147:25  Unique         2.40, 2.76 A)
 &rst
  ixpk= 3147, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1739,1740,
 igr2=1742,1743,
 &end
#
#  116 ARG  HB+         116 ARG  HD-         4.50    (#   3148:25  Unique         2.15, 2.75 A)
 &rst
  ixpk= 3148, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1736,1737,
 igr2=1742,1743,
 &end
#
#  115 VAL  HN          116 ARG  HD-         5.50    (#   3152:25  Unique         5.82, 6.57 A)
 &rst
  ixpk= 3152, nxpk= 25, iat=1716,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1742,1743,
 &end
#
#   86 LEU  HN           86 LEU  HB-         4.50    (#   3153:25  Unique         2.40, 3.10 A)
 &rst
  ixpk= 3153, nxpk= 25, iat=1246,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1250,1251,
 &end
#
#  111 VAL  MGY         107 GLN  HG+         3.50    (#   3154:25  Unique         2.35, 4.67 A)
 &rst
  ixpk= 3154, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1648,1649,1650,1652,1653,1654,
 igr2=1587,1588,
 &end
#
#  107 GLN  HE2-        107 GLN  HG-         5.50    (#   3155:25  Unique         2.16, 3.14 A)
 &rst
  ixpk= 3155, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1592,1593,
 igr2=1587,1588,
 &end
#
#  111 VAL  MGY         107 GLN  HB-         2.80    (#   3157:25  Unique         2.99, 4.67 A)
 &rst
  ixpk= 3157, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1648,1649,1650,1652,1653,1654,
 igr2=1584,1585,
 &end
#
#  111 VAL  MGX         107 GLN  HB-         3.50    (#   3158:25  Unique         2.99, 4.67 A)
 &rst
  ixpk= 3158, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1648,1649,1650,1652,1653,1654,
 igr2=1584,1585,
 &end
#
#    0 AMB  25-2:3159    86 LEU  HG          5.50    (#   3159:25  Single Ambig)
 &rst
  ixpk= 3159, nxpk= 25, iat=  -1,1253, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1312,1313,1266,1267,
 &end
#
#   86 LEU  MDY          86 LEU  HB-         2.80    (#   3161:25  Unique         2.38, 3.33 A)
 &rst
  ixpk= 3161, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1255,1256,1257,1259,1260,1261,
 igr2=1250,1251,
 &end
#
#   86 LEU  MDX          86 LEU  HB-         3.50    (#   3162:25  Unique         2.38, 3.33 A)
 &rst
  ixpk= 3162, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1255,1256,1257,1259,1260,1261,
 igr2=1250,1251,
 &end
#
#   86 LEU  MDX          86 LEU  HB+         3.50    (#   3163:25  Unique         2.38, 3.33 A)
 &rst
  ixpk= 3163, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1255,1256,1257,1259,1260,1261,
 igr2=1250,1251,
 &end
#
#   86 LEU  HN           86 LEU  MDX         5.50    (#   3164:25  Unique         3.45, 4.65 A)
 &rst
  ixpk= 3164, nxpk= 25, iat=1246,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1255,1256,1257,1259,1260,1261,
 &end
#
#    0 AMB  25-2:3165    86 LEU  HA          2.80    (#   3165:25  Single Ambig)
 &rst
  ixpk= 3165, nxpk= 25, iat=  -1,1248, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1255,1256,1257,1259,1260,1261,1222,1223,1224,1226,
      1227,1228,1222,1223,1224,1226,1227,1228,
 &end
#
#   18 ALA  MB           79 LEU  MDX         3.50    (#   3166:25  Unique         3.25, 5.25 A)
 &rst
  ixpk= 3166, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 300, 301, 302,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#   99 TRP  HB-          79 LEU  HG          5.50    (#   3167:25  Unique         2.13, 3.23 A)
 &rst
  ixpk= 3167, nxpk= 25, iat=  -1,1168, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1464,1465,
 &end
#
#   15 SER  HA           79 LEU  MDY         5.50    (#   3168:25  Unique         2.21, 3.55 A)
 &rst
  ixpk= 3168, nxpk= 25, iat= 253,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#  101 LEU  HB+          79 LEU  MDY         4.50    (#   3169:25  Unique         2.51, 5.89 A)
 &rst
  ixpk= 3169, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1505,1506,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#   77 ILE  QG2          79 LEU  MDY         5.50    (#   3170:25  Unique         2.09, 4.59 A)
 &rst
  ixpk= 3170, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=1137,1138,1139,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#    7 VAL  HN            7 VAL  MGX         4.50    (#   3180:25  Unique         2.17, 3.92 A)
 &rst
  ixpk= 3180, nxpk= 25, iat= 118,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 124, 125, 126, 128, 129, 130,
 &end
#
#   70 ALA  MB           76 VAL  MGX         5.50    (#   3181:25  Unique         2.31, 4.66 A)
 &rst
  ixpk= 3181, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=1036,1037,1038,
 igr2=1121,1122,1123,1125,1126,1127,
 &end
#
#   41 ARG  HD+          41 ARG  HG-         3.50    (#   3193:25  Unique         2.24, 2.71 A)
 &rst
  ixpk= 3193, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 613, 614,
 igr2= 610, 611,
 &end
#
#   68 PHE  HA           68 PHE  HB-         3.50    (#   3195:25  Unique         2.51, 2.81 A)
 &rst
  ixpk= 3195, nxpk= 25, iat=1000,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1002,1003,
 &end
#
#   79 LEU  HG           99 TRP  HB-         5.50    (#   3196:25  Unique         2.13, 3.23 A)
 &rst
  ixpk= 3196, nxpk= 25, iat=1168,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1464,1465,
 &end
#
#  113 ARG  HG-         110 GLU  HG+         4.50    (#   3206:25  Unique         4.69, 6.07 A)
 &rst
  ixpk= 3206, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1685,1686,
 igr2=1634,1635,
 &end
#
#   99 TRP  HD1          99 TRP  HB+         5.50    (#   3209:25  Unique         3.31, 3.63 A)
 &rst
  ixpk= 3209, nxpk= 25, iat=1468,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1464,1465,
 &end
#
#   90 TRP  HN           70 ALA  MB          5.50    (#   3217:25  Unique         3.35, 4.30 A)
 &rst
  ixpk= 3217, nxpk= 25, iat=1308,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1036,1037,1038,
 &end
#
#   10 ARG  HA           10 ARG  HB-         4.50    (#   3219:25  Unique         2.40, 2.84 A)
 &rst
  ixpk= 3219, nxpk= 25, iat= 169,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 171, 172,
 &end
#
#   10 ARG  HA           10 ARG  HB+         5.50    (#   3220:25  Unique         2.40, 2.84 A)
 &rst
  ixpk= 3220, nxpk= 25, iat= 169,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 171, 172,
 &end
#
#   10 ARG  HD+          10 ARG  HB-         2.80    (#   3222:25  Unique         2.13, 3.40 A)
 &rst
  ixpk= 3222, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 177, 178,
 igr2= 171, 172,
 &end
#
#  105 ASP  HA           10 ARG  HA          5.50    (#   3223:25  Unique         5.13, 5.57 A)
 &rst
  ixpk= 3223, nxpk= 25, iat=1563, 169, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  129 LYS  HE+         129 LYS  HB+         3.50    (#   3224:25  Unique         2.28, 4.11 A)
 &rst
  ixpk= 3224, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1963,1964,
 igr2=1954,1955,
 &end
#
#  110 GLU  HN          110 GLU  HG+         3.50    (#   3225:25  Unique         1.81, 2.32 A)
 &rst
  ixpk= 3225, nxpk= 25, iat=1627,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1634,1635,
 &end
#
#    0 AMB  25-2:3226     0 AMB  25-1:3226   3.50    (#   3226:25  Double Ambig)
 &rst
  ixpk= 3226, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 281, 596, 597,
 igr2= 283, 284, 570, 571,
 &end
#
#    0 AMB  25-2:3229    95 ILE  HB          5.50    (#   3229:25  Single Ambig)
 &rst
  ixpk= 3229, nxpk= 25, iat=  -1,1398, r1= 0.00, r2= 1.80, r3= 7.61, r4= 8.36,
 igr1=1911,1912,1913,1915,1916,1917,1909,
 &end
#
#   90 TRP  HE1          89 GLU  HG+         5.50    (#   3230:25  Unique         2.87, 3.81 A)
 &rst
  ixpk= 3230, nxpk= 25, iat=1318,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1300,1301,
 &end
#
#   96 PHE  HD           91 VAL  MGX         5.50    (#   3231:25  Unique         2.32, 6.16 A)
 &rst
  ixpk= 3231, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1421,1429,
 igr2=1338,1339,1340,1342,1343,1344,
 &end
#
#   31 ALA  HN           30 ILE  QG2         4.50    (#   3233:25  Unique         3.44, 4.39 A)
 &rst
  ixpk= 3233, nxpk= 25, iat= 478,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 465, 466, 467,
 &end
#
#   87 PRO  HD-          65 ILE  QG2         5.50    (#   3238:25  Unique         5.01, 6.38 A)
 &rst
  ixpk= 3238, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1266,1267,
 igr2= 956, 957, 958,
 &end
#
#  120 LYS  HE-         120 LYS  HB+         5.50    (#   3240:25  Unique         2.13, 3.73 A)
 &rst
  ixpk= 3240, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1809,1810,
 igr2=1800,1801,
 &end
#
#    5 MET  HB+           5 MET  ME          3.50    (#   3242:25  Unique         2.30, 4.15 A)
 &rst
  ixpk= 3242, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=  85,  86,
 igr2=  92,  93,  94,
 &end
#
#   95 ILE  HN           95 ILE  QD1         5.50    (#   3243:25  Unique         4.38, 5.26 A)
 &rst
  ixpk= 3243, nxpk= 25, iat=1394,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1407,1408,1409,
 &end
#
#   97 GLU  HB+          77 ILE  QG2         4.50    (#   3244:25  Unique         3.04, 4.99 A)
 &rst
  ixpk= 3244, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1437,1438,
 igr2=1137,1138,1139,
 &end
#
#  104 PRO  HG-         103 ASP  HA          4.50    (#   3245:25  Unique         3.76, 4.13 A)
 &rst
  ixpk= 3245, nxpk= 25, iat=  -1,1537, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1551,1552,
 &end
#
#  112 PHE  HA          115 VAL  HB          3.50    (#   3246:25  Unique         2.67, 3.17 A)
 &rst
  ixpk= 3246, nxpk= 25, iat=1660,1720, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  114 THR  HB          115 VAL  HB          5.50    (#   3247:25  Unique         4.80, 5.04 A)
 &rst
  ixpk= 3247, nxpk= 25, iat=1706,1720, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  122 ARG  HA          123 VAL  MGY         5.50    (#   3248:25  Unique         5.58, 6.95 A)
 &rst
  ixpk= 3248, nxpk= 25, iat=1835,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1863,1864,1865,1867,1868,1869,
 &end
#
#  112 PHE  HN          111 VAL  MGY         4.50    (#   3249:25  Unique         3.61, 4.72 A)
 &rst
  ixpk= 3249, nxpk= 25, iat=1658,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1648,1649,1650,1652,1653,1654,
 &end
#
#   26 GLY  HA+          30 ILE  HG1-        5.50    (#   3250:25  Unique         2.11, 3.16 A)
 &rst
  ixpk= 3250, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 415, 416,
 igr2= 469, 470,
 &end
#
#    1 MET  HG+           1 MET  ME          3.50    (#   3251:25  Unique         2.57, 3.41 A)
 &rst
  ixpk= 3251, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=  11,  12,
 igr2=  15,  16,  17,
 &end
#
#    3 LYS  HE+          31 ALA  MB          4.50    (#   3253:25  Unique         3.12, 4.89 A)
 &rst
  ixpk= 3253, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=  56,  57,
 igr2= 482, 483, 484,
 &end
#
#   44 PRO  HD-          42 VAL  MGY         3.50    (#   3256:25  Unique         3.77, 6.67 A)
 &rst
  ixpk= 3256, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 661, 662,
 igr2= 633, 634, 635, 637, 638, 639,
 &end
#
#   95 ILE  HG1+         94 GLU  HG-         4.50    (#   3260:25  Unique         2.13, 3.64 A)
 &rst
  ixpk= 3260, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1404,1405,
 igr2=1386,1387,
 &end
#
#   95 ILE  HG1+         94 GLU  HG-         4.50    (#   3261:25  Unique         2.13, 3.64 A)
 &rst
  ixpk= 3261, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1404,1405,
 igr2=1386,1387,
 &end
#
#   95 ILE  HG1-         94 GLU  HG-         3.50    (#   3262:25  Unique         2.13, 3.64 A)
 &rst
  ixpk= 3262, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1404,1405,
 igr2=1386,1387,
 &end
#
#    0 AMB  25-2:3263     0 AMB  25-1:3263   4.50    (#   3263:25  Double Ambig)
 &rst
  ixpk= 3263, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1=1978,1979,1980,1407,1408,1409,
 igr2=1386,1387,1386,1387,
 &end
#
#  121 GLU  HN          120 LYS  HE-         5.50    (#   3264:25  Unique         5.13, 5.89 A)
 &rst
  ixpk= 3264, nxpk= 25, iat=1818,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1809,1810,
 &end
#
#   88 PRO  HG-          88 PRO  HA          3.50    (#     34:25  Double Ambig)
 &rst
  ixpk= 34, nxpk= 25, iat=  -1,1289, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1283,1284,
 &end
#
#   31 ALA  HA           31 ALA  MB          2.80    (#    622:25  Unique         2.43, 2.68 A)
 &rst
  ixpk= 622, nxpk= 25, iat= 480,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 482, 483, 484,
 &end
#
#   86 LEU  HB+          91 VAL  MGY         3.50    (#    798:25  Unique         3.13, 5.87 A)
 &rst
  ixpk= 798, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1250,1251,
 igr2=1338,1339,1340,1342,1343,1344,
 &end
#
#   90 TRP  HB-          91 VAL  MGY         4.50    (#    801:25  Unique         3.00, 5.27 A)
 &rst
  ixpk= 801, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1312,1313,
 igr2=1338,1339,1340,1342,1343,1344,
 &end
#
#   90 TRP  HN           91 VAL  MGY         5.50    (#    807:25  Double Ambig)
 &rst
  ixpk= 807, nxpk= 25, iat=1308,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1338,1339,1340,1342,1343,1344,
 &end
#
#   21 PHE  HD           18 ALA  MB          5.50    (#    915:25  Single Ambig)
 &rst
  ixpk= 915, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 336, 344,
 igr2= 300, 301, 302,
 &end
#
#   32 VAL  MGY          23 LYS  HB+         4.50    (#   1016:25  Unique         2.12, 3.79 A)
 &rst
  ixpk= 1016, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 494, 495, 496, 498, 499, 500,
 igr2= 362, 363,
 &end
#
#    5 MET  HN          126 LEU  MDX         4.50    (#   1055:25  Double Ambig)
 &rst
  ixpk= 1055, nxpk= 25, iat=  81,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1911,1912,1913,1915,1916,1917,
 &end
#
#    0 AMB  25-2:1078     0 AMB  25-1:1078   4.50    (#   1078:25  Double Ambig)
 &rst
  ixpk= 1078, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1=   8,   9, 441, 442,
 igr2= 432, 433, 432, 433,
 &end
#
#   29 LYS  HB+          28 GLY  HA-         4.50    (#   1079:25  Unique         5.26, 5.87 A)
 &rst
  ixpk= 1079, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 441, 442,
 igr2= 432, 433,
 &end
#
#  131 SER  HA            0 AMB  25-1:1120   4.50    (#   1120:25  Double Ambig)
 &rst
  ixpk= 1120, nxpk= 25, iat=1993,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2=1982,1983, 469, 470,
 &end
#
#   33 THR  HN           33 THR  MG2         4.50    (#   1178:25  Unique         4.58, 4.84 A)
 &rst
  ixpk= 1178, nxpk= 25, iat= 504,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 510, 511, 512,
 &end
#
#   47 ILE  HG1-         44 PRO  HA          3.50    (#   1307:25  Double Ambig)
 &rst
  ixpk= 1307, nxpk= 25, iat=  -1, 670, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 708, 709,
 &end
#
#   61 THR  MG2          60 GLN  HA          4.50    (#   1591:25  Unique         3.80, 5.47 A)
 &rst
  ixpk= 1591, nxpk= 25, iat=  -1, 884, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 905, 906, 907,
 &end
#
#   91 VAL  MGX          90 TRP  HB-         5.50    (#   1985:25  Double Ambig)
 &rst
  ixpk= 1985, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1338,1339,1340,1342,1343,1344,
 igr2=1312,1313,
 &end
#
#   86 LEU  MDY          90 TRP  HB-         3.50    (#   1986:25  Double Ambig)
 &rst
  ixpk= 1986, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1255,1256,1257,1259,1260,1261,
 igr2=1312,1313,
 &end
#
#   86 LEU  HB+          90 TRP  HB-         3.50    (#   1979:25  Unique         2.31, 3.77 A)
 &rst
  ixpk= 1979, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1250,1251,
 igr2=1312,1313,
 &end
#
#  121 GLU  HN          120 LYS  HE+         5.50    (#   2137:25  Double Ambig)
 &rst
  ixpk= 2137, nxpk= 25, iat=1818,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1809,1810,
 &end
#
#  122 ARG  HD-         101 LEU  HG          3.50    (#   2173:25  Unique         3.02, 4.34 A)
 &rst
  ixpk= 2173, nxpk= 25, iat=  -1,1508, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1843,1844,
 &end
#
#    0 AMB  25-2:2192   102 GLU  HB+         2.80    (#   2192:25  Double Ambig)
 &rst
  ixpk= 2192, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1522,1548,1549,
 igr2=1524,1525,
 &end
#
#  108 SER  HN          111 VAL  MGX         4.50    (#   2319:25  Double Ambig)
 &rst
  ixpk= 2319, nxpk= 25, iat=1597,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1648,1649,1650,1652,1653,1654,
 &end
#
#  115 VAL  HB          112 PHE  HA          3.50    (#   2328:25  Unique         2.67, 3.17 A)
 &rst
  ixpk= 2328, nxpk= 25, iat=1720,1660, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  115 VAL  HN          115 VAL  HA          3.50    (#   2378:25  Double Ambig)
 &rst
  ixpk= 2378, nxpk= 25, iat=1716,1718, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  118 GLN  HB-         115 VAL  HA          3.50    (#   2381:25  Double Ambig)
 &rst
  ixpk= 2381, nxpk= 25, iat=  -1,1718, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1767,1768,
 &end
#
#  115 VAL  HB           14 ARG  HB+         4.50    (#   2714:25  Double Ambig)
 &rst
  ixpk= 2714, nxpk= 25, iat=1720,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 231, 232,
 &end
#
#   35 CYS  HN            8 CYS  HB+         5.50    (#   2719:25  Double Ambig)
 &rst
  ixpk= 2719, nxpk= 25, iat= 529,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 138, 139,
 &end
#
#    0 AMB  25-2:2918    60 GLN  HA          5.50    (#   2918:25  Double Ambig)
 &rst
  ixpk= 2918, nxpk= 25, iat=  -1, 884, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 894, 895, 274, 275,
 &end
#
#   47 ILE  HN           42 VAL  MGY         5.50    (#   2948:25  Unique         4.86, 7.16 A)
 &rst
  ixpk= 2948, nxpk= 25, iat= 698,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 633, 634, 635, 637, 638, 639,
 &end
#
#   93 GLN  HG+          91 VAL  MGY         5.50    (#   3004:25  Double Ambig)
 &rst
  ixpk= 3004, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1369,1370,
 igr2=1338,1339,1340,1342,1343,1344,
 &end
#
#   88 PRO  HD+          91 VAL  MGY         5.50    (#   3006:25  Unique         5.22, 7.20 A)
 &rst
  ixpk= 3006, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1280,1281,
 igr2=1338,1339,1340,1342,1343,1344,
 &end
#
#   93 GLN  HG-          90 TRP  HB-         4.50    (#   3059:25  Double Ambig)
 &rst
  ixpk= 3059, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1369,1370,
 igr2=1312,1313,
 &end
#
#    0 AMB  25-2:583     42 VAL  MGY         2.80    (#    583:25  Double Ambig)
 &rst
  ixpk= 583, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 629, 868, 869,
 igr2= 633, 634, 635, 637, 638, 639,
 &end
#
#   40 SER  HA           41 ARG  HD+         4.50    (#   1277:25  Unique         4.29, 5.30 A )
 &rst
  ixpk= 1277, nxpk= 25, iat= 594,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 613, 614,
 &end
#
#    7 VAL  MGX           6 PHE  HA          5.50    (#    850:25  Single Ambig)
 &rst
  ixpk= 850, nxpk= 25, iat=  -1, 100, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 124, 125, 126, 128, 129, 130,
 &end
#
#   77 ILE  HG1-          6 PHE  HA          5.50    (#   3270:25  Single Ambig)
 &rst
  ixpk= 3270, nxpk= 25, iat=  -1, 100, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1141,1142,
 &end
#
#    6 PHE  HA           77 ILE  HG1-        5.50    (#   3391:25  Single Ambig)
 &rst
  ixpk= 3391, nxpk= 25, iat= 100,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1141,1142,
 &end
#
#    5 MET  HB+           6 PHE  HA          4.50    (#    847:25  Double Ambig)
 &rst
  ixpk= 847, nxpk= 25, iat=  -1, 100, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=  85,  86,
 &end
#
#   37 LEU  HB-          35 CYS  HA          4.50    (#   3271:25  Double Ambig)
 &rst
  ixpk= 3271, nxpk= 25, iat=  -1, 531, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 551, 552,
 &end
#
#   15 SER  HB+           6 PHE  HA          5.50    (#    844:25  Double Ambig)
 &rst
  ixpk= 844, nxpk= 25, iat=  -1, 100, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 255, 256,
 &end
#
#    8 CYS  HB+          35 CYS  HA          5.50    (#   3273:25  Double Ambig)
 &rst
  ixpk= 3273, nxpk= 25, iat=  -1, 531, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 138, 139,
 &end
#
#    6 PHE  HB+           6 PHE  HA          2.80    (#    845:25  Double Ambig)
 &rst
  ixpk= 845, nxpk= 25, iat=  -1, 100, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 102, 103,
 &end
#
#   63 ASP  HB-          35 CYS  HA          4.50    (#   3274:25  Double Ambig)
 &rst
  ixpk= 3274, nxpk= 25, iat=  -1, 531, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 928, 929,
 &end
#
#   35 CYS  HA           63 ASP  HB-         4.50    (#   3392:25  Double Ambig)
 &rst
  ixpk= 3392, nxpk= 25, iat= 531,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 928, 929,
 &end
#
#   35 CYS  HA           63 ASP  HB+         4.50    (#   3393:25  Double Ambig)
 &rst
  ixpk= 3393, nxpk= 25, iat= 531,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 928, 929,
 &end
#
#   63 ASP  HB+          35 CYS  HA          4.50    (#   3394:25  Double Ambig)
 &rst
  ixpk= 3394, nxpk= 25, iat=  -1, 531, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 928, 929,
 &end
#
#    5 MET  HN            6 PHE  HA          5.50    (#   3275:25  Double Ambig)
 &rst
  ixpk= 3275, nxpk= 25, iat=  81, 100, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    7 VAL  HN            6 PHE  HB-         5.50    (#   3276:25  Double Ambig)
 &rst
  ixpk= 3276, nxpk= 25, iat= 118,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 102, 103,
 &end
#
#    5 MET  HN            6 PHE  HB+         5.50    (#   3277:25  Double Ambig)
 &rst
  ixpk= 3277, nxpk= 25, iat=  81,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 102, 103,
 &end
#
#    5 MET  HN            6 PHE  HB-         5.50    (#   3278:25  Double Ambig)
 &rst
  ixpk= 3278, nxpk= 25, iat=  81,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 102, 103,
 &end
#
#    7 VAL  HN            6 PHE  HB+         5.50    (#   3279:25  Double Ambig)
 &rst
  ixpk= 3279, nxpk= 25, iat= 118,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 102, 103,
 &end
#
#    8 CYS  HN            7 VAL  HB          5.50    (#   3280:25  Double Ambig)
 &rst
  ixpk= 3280, nxpk= 25, iat= 134, 122, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   38 GLU  HG+          10 ARG  HA          4.50    (#   2965:25  Single Ambig)
 &rst
  ixpk= 2965, nxpk= 25, iat=  -1, 169, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 573, 574,
 &end
#
#   10 ARG  HA           38 GLU  HG+         5.50    (#   3395:25  Single Ambig)
 &rst
  ixpk= 3395, nxpk= 25, iat= 169,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 573, 574,
 &end
#
#   38 GLU  HB+          10 ARG  HA          4.50    (#   3281:25  Single Ambig)
 &rst
  ixpk= 3281, nxpk= 25, iat=  -1, 169, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 570, 571,
 &end
#
#   10 ARG  HA           38 GLU  HB+         5.50    (#   3396:25  Single Ambig)
 &rst
  ixpk= 3396, nxpk= 25, iat= 169,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 570, 571,
 &end
#
#   10 ARG  HD+          10 ARG  HB+         2.80    (#   3221:25  Unique         2.13, 3.40 A)
 &rst
  ixpk= 3221, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 177, 178,
 igr2= 171, 172,
 &end
#
#   10 ARG  HA           10 ARG  HD+         4.50    (#   3239:25  Unique         2.13, 3.40 A)
 &rst
  ixpk= 3239, nxpk= 25, iat= 169,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 177, 178,
 &end
#
#   15 SER  HB+          14 ARG  HA          5.50    (#   3282:25  Unique         2.13, 3.40 A)
 &rst
  ixpk= 3282, nxpk= 25, iat=  -1, 229, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 255, 256,
 &end
#
#   14 ARG  HA           14 ARG  HB+         3.50    (#   2479:25  Double Ambig)
 &rst
  ixpk= 2479, nxpk= 25, iat= 229,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 231, 232,
 &end
#
#   35 CYS  HB-          36 GLY  HA+         4.50    (#   2858:25  Double Ambig)
 &rst
  ixpk= 2858, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 533, 534,
 igr2= 542, 543,
 &end
#
#   37 LEU  MDX          37 LEU  HG          4.50    (#   3283:25  Double Ambig)
 &rst
  ixpk= 3283, nxpk= 25, iat=  -1, 554, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 556, 557, 558, 560, 561, 562,
 &end
#
#   37 LEU  MDY          37 LEU  HG          4.50    (#   3284:25  Double Ambig)
 &rst
  ixpk= 3284, nxpk= 25, iat=  -1, 554, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 556, 557, 558, 560, 561, 562,
 &end
#
#   37 LEU  HG           37 LEU  HG          3.50    (#   3285:25  Double Ambig)
#This appears to be self-referential: ignoring
#
#   37 LEU  HA           37 LEU  HG          3.50    (#   3286:25  Double Ambig)
 &rst
  ixpk= 3286, nxpk= 25, iat= 549, 554, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   37 LEU  HN           37 LEU  HG          4.50    (#   3287:25  Double Ambig)
 &rst
  ixpk= 3287, nxpk= 25, iat= 547, 554, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   37 LEU  HN           37 LEU  MDX         5.50    (#   1221:25  Double Ambig)
 &rst
  ixpk= 1221, nxpk= 25, iat= 547,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 556, 557, 558, 560, 561, 562,
 &end
#
#   37 LEU  HN           37 LEU  MDY         4.50    (#   1045:25  Double Ambig)
 &rst
  ixpk= 1045, nxpk= 25, iat= 547,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 556, 557, 558, 560, 561, 562,
 &end
#
#   42 VAL  HA           37 LEU  MDY         3.50    (#   1047:25  Double Ambig)
 &rst
  ixpk= 1047, nxpk= 25, iat= 629,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 556, 557, 558, 560, 561, 562,
 &end
#
#  124 GLU  HA           25 LEU  MDX         3.50    (#   3289:25  Double Ambig)
 &rst
  ixpk= 3289, nxpk= 25, iat=1875,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 403, 404, 405, 407, 408, 409,
 &end
#
#    0 AMB  25-2:1048     0 AMB  25-1:1048   3.50    (#   1048:25  Double Ambig)
 &rst
  ixpk= 1048, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 647, 648, 332, 333, 138, 139,
 igr2= 556, 557, 558, 560, 561, 562, 403, 404, 405, 407,
       408, 409,
 &end
#
#   37 LEU  HB+          37 LEU  MDY         2.80    (#    511:25  Single Ambig)
 &rst
  ixpk= 511, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 551, 552,
 igr2= 556, 557, 558, 560, 561, 562,
 &end
#
#   16 GLN  HB-          37 LEU  MDY         2.80    (#   3292:25  Single Ambig)
 &rst
  ixpk= 3292, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 266, 267,
 igr2= 556, 557, 558, 560, 561, 562,
 &end
#
#   37 LEU  HB+          37 LEU  MDX         2.80    (#    585:25  Single Ambig)
 &rst
  ixpk= 585, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 551, 552,
 igr2= 556, 557, 558, 560, 561, 562,
 &end
#
#   60 GLN  HB-          37 LEU  MDX         3.50    (#   3293:25  Single Ambig)
 &rst
  ixpk= 3293, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 886, 887,
 igr2= 556, 557, 558, 560, 561, 562,
 &end
#
#   42 VAL  HA           37 LEU  MDX         2.80    (#   3294:25  Single Ambig)
 &rst
  ixpk= 3294, nxpk= 25, iat= 629,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 556, 557, 558, 560, 561, 562,
 &end
#
#   38 GLU  HB+          38 GLU  HA          2.80    (#    186:25  Single Ambig)
 &rst
  ixpk= 186, nxpk= 25, iat=  -1, 568, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 570, 571,
 &end
#
#   38 GLU  HG+          38 GLU  HA          2.80    (#   3295:25  Single Ambig)
 &rst
  ixpk= 3295, nxpk= 25, iat=  -1, 568, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 573, 574,
 &end
#
#   39 SER  HN           39 SER  HB-         5.50    (#   3301:25  Unique         2.88, 4.05 A)
 &rst
  ixpk= 3301, nxpk= 25, iat= 581,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 585, 586,
 &end
#
#   38 GLU  HB+          39 SER  HB-         4.50    (#   1246:25  Single Ambig)
 &rst
  ixpk= 1246, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 570, 571,
 igr2= 585, 586,
 &end
#
#   41 ARG  HG+          40 SER  HB+         5.50    (#   3309:25  Unique         2.88, 4.05 A)
 &rst
  ixpk= 3309, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 610, 611,
 igr2= 596, 597,
 &end
#
#   42 VAL  MGY          41 ARG  HA          5.50    (#   3310:25  Unique         2.88, 4.05 A)
 &rst
  ixpk= 3310, nxpk= 25, iat=  -1, 605, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 633, 634, 635, 637, 638, 639,
 &end
#
#   40 SER  HN           41 ARG  HA          5.50    (#   3311:25  Unique         2.88, 4.05 A)
 &rst
  ixpk= 3311, nxpk= 25, iat= 592, 605, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   37 LEU  MDY          41 ARG  HG-         4.50    (#   3312:25  Unique         3.26, 6.35 A)
 &rst
  ixpk= 3312, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 556, 557, 558, 560, 561, 562,
 igr2= 610, 611,
 &end
#
#   41 ARG  HN           41 ARG  HG+         5.50    (#   3313:25  Unique         3.26, 6.35 A)
 &rst
  ixpk= 3313, nxpk= 25, iat= 603,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 610, 611,
 &end
#
#   41 ARG  HN           41 ARG  HG-         5.50    (#   3314:25  Unique         3.26, 6.35 A)
 &rst
  ixpk= 3314, nxpk= 25, iat= 603,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 610, 611,
 &end
#
#   37 LEU  MDX          42 VAL  MGY         2.80    (#     42:25  Double Ambig)
 &rst
  ixpk= 42, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 556, 557, 558, 560, 561, 562,
 igr2= 633, 634, 635, 637, 638, 639,
 &end
#
#   42 VAL  MGY          42 VAL  MGY         2.80    (#   3315:25  Double Ambig)
#This appears to be self-referential: ignoring
#
#   43 HIS  HB-          42 VAL  HA          4.50    (#   3266:25  Double Ambig)
 &rst
  ixpk= 3266, nxpk= 25, iat=  -1, 629, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 647, 648,
 &end
#
#   43 HIS  HB+          42 VAL  HA          3.50    (#   3267:25  Double Ambig)
 &rst
  ixpk= 3267, nxpk= 25, iat=  -1, 629, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 647, 648,
 &end
#
#   43 HIS  HN           42 VAL  HA          2.80    (#     39:25  Double Ambig)
 &rst
  ixpk= 39, nxpk= 25, iat= 643, 629, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   78 SER  HN           78 SER  HB+         2.80    (#   3316:25  Double Ambig)
 &rst
  ixpk= 3316, nxpk= 25, iat=1150,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1154,1155,
 &end
#
#   42 VAL  HA           42 VAL  HB          2.80    (#   3317:25  Double Ambig)
 &rst
  ixpk= 3317, nxpk= 25, iat= 629, 631, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   42 VAL  HN           37 LEU  MDX         3.50    (#    582:25  Single Ambig)
 &rst
  ixpk= 582, nxpk= 25, iat= 627,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 556, 557, 558, 560, 561, 562,
 &end
#
#   42 VAL  HN           42 VAL  MGY         3.50    (#   3318:25  Single Ambig)
 &rst
  ixpk= 3318, nxpk= 25, iat= 627,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 633, 634, 635, 637, 638, 639,
 &end
#
#   57 ILE  HN           56 ASP  HB+         5.50    (#   3319:25  Single Ambig)
 &rst
  ixpk= 3319, nxpk= 25, iat= 845,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 837, 838,
 &end
#
#   57 ILE  HN           56 ASP  HB-         5.50    (#   3320:25  Single Ambig)
 &rst
  ixpk= 3320, nxpk= 25, iat= 845,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 837, 838,
 &end
#
#   57 ILE  HA           56 ASP  HB-         5.50    (#   3321:25  Single Ambig)
 &rst
  ixpk= 3321, nxpk= 25, iat= 847,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 837, 838,
 &end
#
#   57 ILE  HA           56 ASP  HB+         5.50    (#   3322:25  Single Ambig)
 &rst
  ixpk= 3322, nxpk= 25, iat= 847,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 837, 838,
 &end
#
#   57 ILE  QD1          57 ILE  HA          4.50    (#   1539:25  Single Ambig)
 &rst
  ixpk= 1539, nxpk= 25, iat=  -1, 847, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 858, 859, 860,
 &end
#
#   47 ILE  HG1+         57 ILE  HA          4.50    (#   3323:25  Single Ambig)
 &rst
  ixpk= 3323, nxpk= 25, iat=  -1, 847, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 708, 709,
 &end
#
#   57 ILE  HB           57 ILE  HA          2.80    (#     51:25  Single Ambig)
 &rst
  ixpk= 51, nxpk= 25, iat= 849, 847, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   60 GLN  HG+          57 ILE  HA          2.80    (#   3324:25  Single Ambig)
 &rst
  ixpk= 3324, nxpk= 25, iat=  -1, 847, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 889, 890,
 &end
#
#   56 ASP  HB+          57 ILE  HA          5.50    (#   3325:25  Single Ambig)
 &rst
  ixpk= 3325, nxpk= 25, iat=  -1, 847, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 837, 838,
 &end
#
#   56 ASP  HB-          57 ILE  HA          5.50    (#   3326:25  Single Ambig)
 &rst
  ixpk= 3326, nxpk= 25, iat=  -1, 847, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 837, 838,
 &end
#
#   60 GLN  HE2-         57 ILE  HB          5.50    (#   1546:25  Single Ambig)
 &rst
  ixpk= 1546, nxpk= 25, iat=  -1, 849, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 894, 895,
 &end
#
#   16 GLN  HE2+         57 ILE  HB          5.50    (#   3327:25  Single Ambig)
 &rst
  ixpk= 3327, nxpk= 25, iat=  -1, 849, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 274, 275,
 &end
#
#   57 ILE  HN           57 ILE  HG1+        5.50    (#   3328:25  Unique         2.28, 2.82 A)
 &rst
  ixpk= 3328, nxpk= 25, iat= 845,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 855, 856,
 &end
#
#   57 ILE  QD1          57 ILE  HG1-        2.80    (#   1552:25  Single Ambig)
 &rst
  ixpk= 1552, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 858, 859, 860,
 igr2= 855, 856,
 &end
#
#   47 ILE  HG1+         57 ILE  HG1-        2.80    (#   3329:25  Single Ambig)
 &rst
  ixpk= 3329, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 708, 709,
 igr2= 855, 856,
 &end
#
#   57 ILE  QD1          57 ILE  HG1+        2.80    (#   1553:25  Double Ambig)
 &rst
  ixpk= 1553, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 858, 859, 860,
 igr2= 855, 856,
 &end
#
#   47 ILE  HG1+         57 ILE  HG1+        2.80    (#   3330:25  Single Ambig)
 &rst
  ixpk= 3330, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 708, 709,
 igr2= 855, 856,
 &end
#
#   57 ILE  HB           57 ILE  HG1-        3.50    (#   1554:25  Single Ambig)
 &rst
  ixpk= 1554, nxpk= 25, iat= 849,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 855, 856,
 &end
#
#   50 MET  HG-          57 ILE  HG1-        3.50    (#   3331:25  Single Ambig)
 &rst
  ixpk= 3331, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 751, 752,
 igr2= 855, 856,
 &end
#
#   57 ILE  HG1-         50 MET  HG+         4.50    (#   3400:25  Unique         2.52, 3.63 A)
 &rst
  ixpk= 3400, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 855, 856,
 igr2= 751, 752,
 &end
#
#   57 ILE  HG1+         50 MET  HG+         4.50    (#   3401:25  Unique         2.52, 3.63 A)
 &rst
  ixpk= 3401, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 855, 856,
 igr2= 751, 752,
 &end
#
#   57 ILE  HG1+         50 MET  HG-         4.50    (#   3402:25  Unique         2.52, 3.63 A)
 &rst
  ixpk= 3402, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 855, 856,
 igr2= 751, 752,
 &end
#
#   57 ILE  HB           57 ILE  HG1+        3.50    (#   1555:25  Double Ambig)
 &rst
  ixpk= 1555, nxpk= 25, iat= 849,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 855, 856,
 &end
#
#   50 MET  HG-          57 ILE  HG1+        3.50    (#   3332:25  Single Ambig)
 &rst
  ixpk= 3332, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 751, 752,
 igr2= 855, 856,
 &end
#
#    0 AMB  25-2:1556    57 ILE  HG1-        3.50    (#   1556:25  Single Ambig)
 &rst
  ixpk= 1556, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.14, r4= 5.89,
 igr1= 708, 709, 692, 693, 694,
 igr2= 855, 856,
 &end
#
#    0 AMB  25-2:1561    57 ILE  QD1         5.50    (#   1561:25  Single Ambig)
 &rst
  ixpk= 1561, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 643, 727,
 igr2= 858, 859, 860,
 &end
#
#   60 GLN  HG+          60 GLN  HA          3.50    (#   3335:25  Unique         2.24, 2.69 A)
 &rst
  ixpk= 3335, nxpk= 25, iat=  -1, 884, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 889, 890,
 &end
#
#   60 GLN  HB-          60 GLN  HA          3.50    (#   3336:25  Unique         2.24, 2.69 A)
 &rst
  ixpk= 3336, nxpk= 25, iat=  -1, 884, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 886, 887,
 &end
#
#   37 LEU  MDX          60 GLN  HB+         4.50    (#   1597:25  Double Ambig)
 &rst
  ixpk= 1597, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 556, 557, 558, 560, 561, 562,
 igr2= 886, 887,
 &end
#
#   42 VAL  MGY          60 GLN  HB+         4.50    (#   3337:25  Double Ambig)
 &rst
  ixpk= 3337, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 633, 634, 635, 637, 638, 639,
 igr2= 886, 887,
 &end
#
#   37 LEU  MDX          60 GLN  HB-         4.50    (#   3338:25  Double Ambig)
 &rst
  ixpk= 3338, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 556, 557, 558, 560, 561, 562,
 igr2= 886, 887,
 &end
#
#   42 VAL  MGY          60 GLN  HB-         4.50    (#   3339:25  Double Ambig)
 &rst
  ixpk= 3339, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 633, 634, 635, 637, 638, 639,
 igr2= 886, 887,
 &end
#
#   60 GLN  HE2-         60 GLN  HB+         5.50    (#   3340:25  Double Ambig)
 &rst
  ixpk= 3340, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 894, 895,
 igr2= 886, 887,
 &end
#
#   60 GLN  HE2-         60 GLN  HB-         5.50    (#   3341:25  Double Ambig)
 &rst
  ixpk= 3341, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 894, 895,
 igr2= 886, 887,
 &end
#
#   60 GLN  HE2+         60 GLN  HB-         5.50    (#   3342:25  Unique         1.92, 3.51 A)
 &rst
  ixpk= 3342, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 894, 895,
 igr2= 886, 887,
 &end
#
#   61 THR  HA           60 GLN  HG+         5.50    (#   3343:25  Unique         2.33, 3.07 A)
 &rst
  ixpk= 3343, nxpk= 25, iat= 901,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 889, 890,
 &end
#
#   61 THR  HN           61 THR  HB          5.50    (#   3344:25  Unique         2.33, 3.07 A)
 &rst
  ixpk= 3344, nxpk= 25, iat= 899, 903, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   25 LEU  HB+          24 THR  HB          4.50    (#   1604:25  Double Ambig)
 &rst
  ixpk= 1604, nxpk= 25, iat=  -1, 384, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 398, 399,
 &end
#
#   23 LYS  HG+          24 THR  HB          4.50    (#   1605:25  Double Ambig)
 &rst
  ixpk= 1605, nxpk= 25, iat=  -1, 384, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 365, 366,
 &end
#
#   25 LEU  HG           24 THR  HB          3.50    (#   1606:25  Double Ambig)
 &rst
  ixpk= 1606, nxpk= 25, iat= 401, 384, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   61 THR  HA           61 THR  MG2         3.50    (#    590:25  Double Ambig)
 &rst
  ixpk= 590, nxpk= 25, iat= 901,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 905, 906, 907,
 &end
#
#  114 THR  HB          114 THR  MG2         2.80    (#   3348:25  Unique         2.33, 3.07 A)
 &rst
  ixpk= 3348, nxpk= 25, iat=1706,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1708,1709,1710,
 &end
#
#   62 SER  HA           62 SER  HB+         5.50    (#   3349:25  Unique         2.27, 2.65 A)
 &rst
  ixpk= 3349, nxpk= 25, iat= 915,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 917, 918,
 &end
#
#   63 ASP  HB-          63 ASP  HA          2.80    (#   1626:25  Double Ambig)
 &rst
  ixpk= 1626, nxpk= 25, iat=  -1, 926, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 928, 929,
 &end
#
#   85 ASN  HB-          85 ASN  HA          2.80    (#   3350:25  Double Ambig)
 &rst
  ixpk= 3350, nxpk= 25, iat=  -1,1234, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1236,1237,
 &end
#
#   63 ASP  HB+          63 ASP  HA          2.80    (#    202:25  Double Ambig)
 &rst
  ixpk= 202, nxpk= 25, iat=  -1, 926, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 928, 929,
 &end
#
#   85 ASN  HB+          85 ASN  HA          2.80    (#   3351:25  Double Ambig)
 &rst
  ixpk= 3351, nxpk= 25, iat=  -1,1234, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1236,1237,
 &end
#
#   63 ASP  HA           63 ASP  HB+         2.80    (#   1632:25  Double Ambig)
 &rst
  ixpk= 1632, nxpk= 25, iat= 926,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 928, 929,
 &end
#
#   85 ASN  HA           85 ASN  HB+         2.80    (#   3352:25  Double Ambig)
 &rst
  ixpk= 3352, nxpk= 25, iat=1234,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1236,1237,
 &end
#
#   63 ASP  HA           63 ASP  HB-         3.50    (#   1633:25  Double Ambig)
 &rst
  ixpk= 1633, nxpk= 25, iat= 926,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 928, 929,
 &end
#
#   85 ASN  HA           85 ASN  HB-         3.50    (#   3353:25  Double Ambig)
 &rst
  ixpk= 3353, nxpk= 25, iat=1234,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1236,1237,
 &end
#
#   61 THR  HB           63 ASP  HB+         5.50    (#   1635:25  Double Ambig)
 &rst
  ixpk= 1635, nxpk= 25, iat= 903,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 928, 929,
 &end
#
#   72 ASP  HA           72 ASP  HB+         2.80    (#   3354:25  Double Ambig)
 &rst
  ixpk= 3354, nxpk= 25, iat=1056,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1058,1059,
 &end
#
#   77 ILE  HA           77 ILE  HG1+        5.50    (#   3355:25  Unique         3.23, 3.54 A)
 &rst
  ixpk= 3355, nxpk= 25, iat=1133,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1141,1142,
 &end
#
#   77 ILE  HA           77 ILE  HG1-        5.50    (#   3356:25  Unique         3.23, 3.54 A)
 &rst
  ixpk= 3356, nxpk= 25, iat=1133,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1141,1142,
 &end
#
#   99 TRP  HH2          77 ILE  HG1-        4.50    (#   3357:25  Unique         2.77, 3.68 A)
 &rst
  ixpk= 3357, nxpk= 25, iat=1475,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1141,1142,
 &end
#
#   76 VAL  HN           77 ILE  QD1         4.50    (#   3358:25  Unique         3.81, 4.67 A)
 &rst
  ixpk= 3358, nxpk= 25, iat=1115,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1144,1145,1146,
 &end
#
#   78 SER  HN           77 ILE  QD1         4.50    (#   3359:25  Unique         3.81, 4.67 A)
 &rst
  ixpk= 3359, nxpk= 25, iat=1150,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1144,1145,1146,
 &end
#
#   95 ILE  QG2          77 ILE  QD1         3.50    (#   1859:25  Single Ambig)
 &rst
  ixpk= 1859, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1400,1401,1402,
 igr2=1144,1145,1146,
 &end
#
#   75 VAL  MGX          77 ILE  QD1         3.50    (#   3360:25  Single Ambig)
 &rst
  ixpk= 3360, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1105,1106,1107,1109,1110,1111,
 igr2=1144,1145,1146,
 &end
#
#   76 VAL  MGX          77 ILE  QD1         5.50    (#   1860:25  Single Ambig)
 &rst
  ixpk= 1860, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=1121,1122,1123,1125,1126,1127,
 igr2=1144,1145,1146,
 &end
#
#   95 ILE  HG1+         77 ILE  QD1         3.50    (#   3361:25  Single Ambig)
 &rst
  ixpk= 3361, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1404,1405,
 igr2=1144,1145,1146,
 &end
#
#   78 SER  HB+          78 SER  HA          3.50    (#   3362:25  Unique         2.23, 2.60 A)
 &rst
  ixpk= 3362, nxpk= 25, iat=  -1,1152, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1154,1155,
 &end
#
#   79 LEU  HN           79 LEU  HA          3.50    (#   3363:25  Unique         2.23, 2.60 A)
 &rst
  ixpk= 3363, nxpk= 25, iat=1161,1163, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   80 CYS  HN           79 LEU  HA          5.50    (#   3364:25  Unique         2.23, 2.60 A)
 &rst
  ixpk= 3364, nxpk= 25, iat=1180,1163, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   79 LEU  HB-          79 LEU  HA          2.80    (#   3365:25  Unique         2.33, 2.75 A)
 &rst
  ixpk= 3365, nxpk= 25, iat=  -1,1163, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1165,1166,
 &end
#
#   79 LEU  HG           79 LEU  HA          3.50    (#   3366:25  Unique         2.33, 2.75 A)
 &rst
  ixpk= 3366, nxpk= 25, iat=1168,1163, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   79 LEU  MDX          79 LEU  HB+         3.50    (#   3367:25  Unique         2.30, 3.32 A)
 &rst
  ixpk= 3367, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1170,1171,1172,1174,1175,1176,
 igr2=1165,1166,
 &end
#
#   79 LEU  MDY          79 LEU  HB+         3.50    (#   3368:25  Unique         2.30, 3.32 A)
 &rst
  ixpk= 3368, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1170,1171,1172,1174,1175,1176,
 igr2=1165,1166,
 &end
#
#   79 LEU  HN           79 LEU  MDX         5.50    (#   3369:25  Unique         2.68, 5.11 A)
 &rst
  ixpk= 3369, nxpk= 25, iat=1161,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#   79 LEU  HB-          79 LEU  MDY         3.50    (#   3370:25  Unique         2.30, 3.32 A)
 &rst
  ixpk= 3370, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1165,1166,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#   80 CYS  HB-          80 CYS  HA          3.50    (#   3371:25  Unique         2.33, 2.69 A)
 &rst
  ixpk= 3371, nxpk= 25, iat=  -1,1182, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1184,1185,
 &end
#
#   84 VAL  HB           80 CYS  HB-         3.50    (#   3372:25  Unique         2.37, 3.11 A)
 &rst
  ixpk= 3372, nxpk= 25, iat=1220,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1184,1185,
 &end
#
#   84 VAL  MGY          80 CYS  HB-         3.50    (#   1893:25  Single Ambig)
 &rst
  ixpk= 1893, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1222,1223,1224,1226,1227,1228,
 igr2=1184,1185,
 &end
#
#   86 LEU  MDY          80 CYS  HB-         3.50    (#   3373:25  Single Ambig)
 &rst
  ixpk= 3373, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1255,1256,1257,1259,1260,1261,
 igr2=1184,1185,
 &end
#
#   84 VAL  MGY          80 CYS  HB+         3.50    (#   1894:25  Single Ambig)
 &rst
  ixpk= 1894, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1222,1223,1224,1226,1227,1228,
 igr2=1184,1185,
 &end
#
#   86 LEU  MDY          80 CYS  HB+         3.50    (#   3374:25  Single Ambig)
 &rst
  ixpk= 3374, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1255,1256,1257,1259,1260,1261,
 igr2=1184,1185,
 &end
#
#   81 GLY  HA-          82 CYS  HB-         5.50    (#   3375:25  Unique         4.64, 5.35 A)
 &rst
  ixpk= 3375, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1193,1194,
 igr2=1202,1203,
 &end
#
#   81 GLY  HA-          82 CYS  HB+         5.50    (#   3376:25  Unique         4.64, 5.35 A)
 &rst
  ixpk= 3376, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1193,1194,
 igr2=1202,1203,
 &end
#
#   81 GLY  HA+          82 CYS  HB-         5.50    (#   3377:25  Unique         4.64, 5.35 A)
 &rst
  ixpk= 3377, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1193,1194,
 igr2=1202,1203,
 &end
#
#   81 GLY  HA+          82 CYS  HB+         5.50    (#   3378:25  Unique         4.64, 5.35 A)
 &rst
  ixpk= 3378, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1193,1194,
 igr2=1202,1203,
 &end
#
#   84 VAL  MGX          83 GLY  HA+         5.50    (#   3379:25  Unique         2.64, 3.29 A)
 &rst
  ixpk= 3379, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1222,1223,1224,1226,1227,1228,
 igr2=1211,1212,
 &end
#
#   84 VAL  MGX          83 GLY  HA-         5.50    (#   3380:25  Unique         2.64, 3.29 A)
 &rst
  ixpk= 3380, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1222,1223,1224,1226,1227,1228,
 igr2=1211,1212,
 &end
#
#   84 VAL  MGY          83 GLY  HA+         5.50    (#   3381:25  Unique         2.64, 3.29 A)
 &rst
  ixpk= 3381, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1222,1223,1224,1226,1227,1228,
 igr2=1211,1212,
 &end
#
#   84 VAL  MGY          83 GLY  HA-         5.50    (#   3382:25  Unique         2.64, 3.29 A)
 &rst
  ixpk= 3382, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1222,1223,1224,1226,1227,1228,
 igr2=1211,1212,
 &end
#
#   85 ASN  HB-          84 VAL  HA          4.50    (#   1926:25  Single Ambig)
 &rst
  ixpk= 1926, nxpk= 25, iat=  -1,1218, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1236,1237,
 &end
#
#   80 CYS  HB+          84 VAL  HA          4.50    (#   3383:25  Single Ambig)
 &rst
  ixpk= 3383, nxpk= 25, iat=  -1,1218, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1184,1185,
 &end
#
#   85 ASN  HN           84 VAL  HB          4.50    (#   3384:25  Unique         3.99, 4.20 A)
 &rst
  ixpk= 3384, nxpk= 25, iat=1232,1220, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   84 VAL  HA           84 VAL  HB          4.50    (#   3385:25  Single Ambig)
 &rst
  ixpk= 3385, nxpk= 25, iat=1218,1220, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    6 PHE  HN           34 SER  HB+         5.50    (#   3386:25  Single Ambig)
 &rst
  ixpk= 3386, nxpk= 25, iat=  98,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 522, 523,
 &end
#
#  119 VAL  HN          115 VAL  HA          4.50    (#   3241:25  Double Ambig)
 &rst
  ixpk= 3241, nxpk= 25, iat=1780,1718, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   35 CYS  HN           34 SER  HB+         5.50    (#   3387:25  Double Ambig)
 &rst
  ixpk= 3387, nxpk= 25, iat= 529,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 522, 523,
 &end
#
#   35 CYS  HN           34 SER  HB-         5.50    (#   3388:25  Double Ambig)
 &rst
  ixpk= 3388, nxpk= 25, iat= 529,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 522, 523,
 &end
#
#   33 THR  HN           34 SER  HB+         5.50    (#   3389:25  Double Ambig)
 &rst
  ixpk= 3389, nxpk= 25, iat= 504,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 522, 523,
 &end
#
#   33 THR  HN           34 SER  HB-         5.50    (#   3390:25  Double Ambig)
 &rst
  ixpk= 3390, nxpk= 25, iat= 504,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 522, 523,
 &end
#
#   86 LEU  HN           86 LEU  MDY         5.50    (#   3397:25  Double Ambig)
 &rst
  ixpk= 3397, nxpk= 25, iat=1246,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1255,1256,1257,1259,1260,1261,
 &end
#
#   80 CYS  HN           84 VAL  MGY         5.50    (#   1290:25  Double Ambig)
 &rst
  ixpk= 1290, nxpk= 25, iat=1180,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1222,1223,1224,1226,1227,1228,
 &end
#
#   38 GLU  HN           37 LEU  MDX         5.50    (#   3398:25  Double Ambig)
 &rst
  ixpk= 3398, nxpk= 25, iat= 566,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 556, 557, 558, 560, 561, 562,
 &end
#
#   60 GLN  HB+          42 VAL  MGY         4.50    (#   1292:25  Double Ambig)
 &rst
  ixpk= 1292, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 886, 887,
 igr2= 633, 634, 635, 637, 638, 639,
 &end
#
#   60 GLN  HB+          37 LEU  MDX         4.50    (#   3399:25  Double Ambig)
 &rst
  ixpk= 3399, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 886, 887,
 igr2= 556, 557, 558, 560, 561, 562,
 &end
#
#   40 SER  HN           39 SER  HB-         5.50    (#   3403:25  Unique         2.88, 4.05 A)
 &rst
  ixpk= 3403, nxpk= 25, iat= 592,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 585, 586,
 &end
#
#    8 CYS  HN           36 GLY  HA+         5.50    (#   2854:25  Unique         2.41, 3.94 A)
 &rst
  ixpk= 2854, nxpk= 25, iat= 134,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 542, 543,
 &end
#
#   37 LEU  HN           36 GLY  HA+         3.50    (#   2855:25  Unique         5.68, 7.13 A)
 &rst
  ixpk= 2855, nxpk= 25, iat= 547,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 542, 543,
 &end
#
#    0 AMB  25-2:1219    37 LEU  MDX         4.50    (#   1219:25  Single Ambig)
 &rst
  ixpk= 1219, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 592, 540,
 igr2= 556, 557, 558, 560, 561, 562,
 &end
#
#   66 GLU  HN           65 ILE  HA          3.50    (#   1643:25  Single Ambig)
 &rst
  ixpk= 1643, nxpk= 25, iat= 969, 952, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   65 ILE  HN           65 ILE  HA          2.80    (#   1644:25  Double Ambig)
 &rst
  ixpk= 1644, nxpk= 25, iat= 950, 952, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  109 LEU  HN          108 SER  HB-         3.50    (#   3405:25  Double Ambig)
 &rst
  ixpk= 3405, nxpk= 25, iat=1608,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1601,1602,
 &end
#
#   91 VAL  HN           89 GLU  HA          4.50    (#   1956:25  Single Ambig)
 &rst
  ixpk= 1956, nxpk= 25, iat=1332,1295, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   92 THR  HN           89 GLU  HA          3.50    (#   3406:25  Single Ambig)
 &rst
  ixpk= 3406, nxpk= 25, iat=1348,1295, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   91 VAL  HN           90 TRP  HA          3.50    (#   1764:25  Single Ambig)
 &rst
  ixpk= 1764, nxpk= 25, iat=1332,1310, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   92 THR  HN           90 TRP  HA          4.50    (#   3407:25  Single Ambig)
 &rst
  ixpk= 3407, nxpk= 25, iat=1348,1310, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   81 GLY  HA+         100 GLN  HG+         5.50    (#   3409:25  Unique         2.42, 3.48 A)
 &rst
  ixpk= 3409, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1193,1194,
 igr2=1491,1492,
 &end
#
#   81 GLY  HA-         100 GLN  HG+         5.50    (#   3410:25  Unique         2.42, 3.48 A)
 &rst
  ixpk= 3410, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1193,1194,
 igr2=1491,1492,
 &end
#
#   81 GLY  HA-         100 GLN  HG-         5.50    (#   3411:25  Unique         2.42, 3.48 A)
 &rst
  ixpk= 3411, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1193,1194,
 igr2=1491,1492,
 &end
#
#   82 CYS  HA           82 CYS  HB-         5.50    (#   3412:25  Unique         4.64, 5.35 A)
 &rst
  ixpk= 3412, nxpk= 25, iat=1200,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1202,1203,
 &end
#
#   82 CYS  HA           82 CYS  HB+         5.50    (#   3413:25  Unique         4.64, 5.35 A)
 &rst
  ixpk= 3413, nxpk= 25, iat=1200,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1202,1203,
 &end
#
#   82 CYS  HB+          82 CYS  HA          5.50    (#   3414:25  Unique         4.64, 5.35 A)
 &rst
  ixpk= 3414, nxpk= 25, iat=  -1,1200, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1202,1203,
 &end
#
#   82 CYS  HB-          82 CYS  HA          5.50    (#   3415:25  Unique         4.64, 5.35 A)
 &rst
  ixpk= 3415, nxpk= 25, iat=  -1,1200, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1202,1203,
 &end
#
#  100 GLN  HA           82 CYS  HB-         4.50    (#   1913:25  Unique         4.64, 5.35 A)
 &rst
  ixpk= 1913, nxpk= 25, iat=1486,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1202,1203,
 &end
#
#  100 GLN  HA           82 CYS  HB+         5.50    (#   1914:25  Unique         4.64, 5.35 A)
 &rst
  ixpk= 1914, nxpk= 25, iat=1486,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1202,1203,
 &end
#
#  100 GLN  HE2+         82 CYS  HB+         5.50    (#   3416:25  Double Ambig)
 &rst
  ixpk= 3416, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1496,1497,
 igr2=1202,1203,
 &end
#
#  100 GLN  HE2+         82 CYS  HB-         5.50    (#   3417:25  Double Ambig)
 &rst
  ixpk= 3417, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1496,1497,
 igr2=1202,1203,
 &end
#
#   82 CYS  HN           82 CYS  HA          5.50    (#   3135:25  Double Ambig)
 &rst
  ixpk= 3135, nxpk= 25, iat=1198,1200, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   83 GLY  HA-          82 CYS  HA          5.50    (#   3133:25  Double Ambig)
 &rst
  ixpk= 3133, nxpk= 25, iat=  -1,1200, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1211,1212,
 &end
#
#   82 CYS  HB+          82 CYS  HA          5.50    (#     85:25  Double Ambig)
 &rst
  ixpk= 85, nxpk= 25, iat=  -1,1200, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1202,1203,
 &end
#
#   82 CYS  HB-          82 CYS  HA          5.50    (#   3418:25  Double Ambig)
 &rst
  ixpk= 3418, nxpk= 25, iat=  -1,1200, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1202,1203,
 &end
#
#  100 GLN  HE2+         82 CYS  HA          5.50    (#   3134:25  Double Ambig)
 &rst
  ixpk= 3134, nxpk= 25, iat=  -1,1200, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1496,1497,
 &end
#
#  100 GLN  HE2-         82 CYS  HA          5.50    (#   3419:25  Double Ambig)
 &rst
  ixpk= 3419, nxpk= 25, iat=  -1,1200, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1496,1497,
 &end
#
#   81 GLY  HN           79 LEU  HA          5.50    (#   3420:25  Double Ambig)
 &rst
  ixpk= 3420, nxpk= 25, iat=1191,1163, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   60 GLN  HN           42 VAL  MGY         4.50    (#   1222:25  Double Ambig)
 &rst
  ixpk= 1222, nxpk= 25, iat= 882,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 633, 634, 635, 637, 638, 639,
 &end
#
#   84 VAL  HN           84 VAL  MGY         4.50    (#   3421:25  Double Ambig)
 &rst
  ixpk= 3421, nxpk= 25, iat=1216,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1222,1223,1224,1226,1227,1228,
 &end
#
#   65 ILE  HB           37 LEU  HA          5.50    (#   1198:25  Double Ambig)
 &rst
  ixpk= 1198, nxpk= 25, iat= 954, 549, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   65 ILE  HN           37 LEU  HA          5.50    (#   3422:25  Double Ambig)
 &rst
  ixpk= 3422, nxpk= 25, iat= 950, 549, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
# 77 ILE O 7 VAL HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1148, 118, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05, 
      rk2=40.0, rk3=40.0, ir6=1, ialtd=1,
 &end
#
# 77 ILE O 7 VAL N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1148, 117, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 75 VAL O 5 MET HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1113,  81, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 75 VAL O 5 MET N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1113,  80, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 31 ALA O 4 VAL HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 486,  65, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 31 ALA O 4 VAL N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 486,  64, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 33 THR O 6 PHE HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 516,  98, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 33 THR O 6 PHE N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 516,  97, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 95 ILE O 76 VAL HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1411,1115, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 95 ILE O 76 VAL N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1411,1114, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 97 GLU O 78 SER HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1446,1150, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 97 GLU O 78 SER N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1446,1149, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 3 LYS O 75 VAL HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=  63,1099, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 3 LYS O 75 VAL N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=  63,1098, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 5 MET O 77 ILE HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=  96,1131, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 5 MET O 77 ILE N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=  96,1130, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 4 VAL O 33 THR HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=  79, 504, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 4 VAL O 33 THR N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=  79, 503, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 6 PHE O 35 CYS HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 116, 529, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 6 PHE O 35 CYS N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 116, 528, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 19 GLU O 23 LYS HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 319, 358, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 19 GLU O 23 LYS N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 319, 357, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 18 ALA O 22 ALA HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 304, 348, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 18 ALA O 22 ALA N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 304, 347, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 17 MET O 21 PHE HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 294, 328, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 17 MET O 21 PHE N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 294, 327, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 16 GLN O 20 GLY HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 277, 321, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 16 GLN O 20 GLY N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 277, 320, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 15 SER O 19 GLU HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 260, 306, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 15 SER O 19 GLU N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 260, 305, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 14 ARG O 18 ALA HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 249, 296, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 14 ARG O 18 ALA N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 249, 295, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 123 VAL O 127 ILE HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1871,1921, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 123 VAL O 127 ILE N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1871,1920, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 122 ARG O 126 LEU HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1855,1902, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 122 ARG O 126 LEU N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1855,1901, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 121 GLU O 125 ASN HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1831,1888, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 121 GLU O 125 ASN N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1831,1887, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 120 LYS O 124 GLU HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1816,1873, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 120 LYS O 124 GLU N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1816,1872, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 119 VAL O 123 VAL HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1794,1857, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 119 VAL O 123 VAL N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1794,1856, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 118 GLN O 122 ARG HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1778,1833, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 118 GLN O 122 ARG N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1778,1832, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 117 GLY O 121 GLU HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1761,1818, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 117 GLY O 121 GLU N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1761,1817, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 116 ARG O 120 LYS HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1754,1796, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 116 ARG O 120 LYS N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1754,1795, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 115 VAL O 119 VAL HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1730,1780, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 115 VAL O 119 VAL N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1730,1779, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 114 THR O 118 GLN HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1714,1763, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 114 THR O 118 GLN N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1714,1762, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
#   97 GLU  HB+          99 TRP  HE1         3.50    (#      0:15  Unique         2.43, 3.10 A)
 &rst
  ixpk= 0, nxpk= 15, iat=  -1,1470, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,

      rk2=20.0, rk3=20.0, ir6=1, ialtd=1,
 igr1=1437,1438,
 &end
#
#    0 AMB  15-2:1       99 TRP  HE1         3.50    (#      1:15  Single Ambig)
 &rst
  ixpk= 1, nxpk= 15, iat=  -1,1470, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1437,1438,1440,1441,
 &end
#
#   42 VAL  HA           43 HIS  HN          2.80    (#      2:15  Unique         2.14, 2.29 A)
 &rst
  ixpk= 2, nxpk= 15, iat= 629, 643, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   43 HIS  HB+          43 HIS  HN          3.50    (#      3:15  Unique         2.49, 2.83 A)
 &rst
  ixpk= 3, nxpk= 15, iat=  -1, 643, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 647, 648,
 &end
#
#   43 HIS  HB-          43 HIS  HN          3.50    (#      4:15  Unique         2.49, 2.83 A)
 &rst
  ixpk= 4, nxpk= 15, iat=  -1, 643, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 647, 648,
 &end
#
#    0 AMB  15-2:5       43 HIS  HN          3.50    (#      5:15  Single Ambig)
 &rst
  ixpk= 5, nxpk= 15, iat=  -1, 643, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,
 igr1= 633, 634, 635, 637, 638, 639, 711, 712, 713, 556,
       557, 558, 560, 561, 562,
 &end
#
#   69 ASN  HA           70 ALA  HN          2.80    (#      6:15  Unique         2.27, 2.31 A)
 &rst
  ixpk= 6, nxpk= 15, iat=1020,1032, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:7       70 ALA  HN          4.50    (#      7:15  Single Ambig)
 &rst
  ixpk= 7, nxpk= 15, iat=  -1,1032, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1022,1023,1058,1059,
 &end
#
#   70 ALA  HA           70 ALA  HN          3.50    (#      8:15  Unique         2.74, 2.76 A)
 &rst
  ixpk= 8, nxpk= 15, iat=1034,1032, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   70 ALA  MB           70 ALA  HN          2.80    (#      9:15  Unique         2.29, 2.82 A)
 &rst
  ixpk= 9, nxpk= 15, iat=  -1,1032, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1036,1037,1038,
 &end
#
#   87 PRO  HG+          90 TRP  HE1         4.50    (#     10:15  Unique         2.36, 3.14 A)
 &rst
  ixpk= 10, nxpk= 15, iat=  -1,1318, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1269,1270,
 &end
#
#   89 GLU  HG+          90 TRP  HE1         3.50    (#     11:15  Unique         2.87, 3.81 A)
 &rst
  ixpk= 11, nxpk= 15, iat=  -1,1318, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1300,1301,
 &end
#
#   65 ILE  HG1+         90 TRP  HE1         3.50    (#     12:15  Unique         3.61, 4.19 A)
 &rst
  ixpk= 12, nxpk= 15, iat=  -1,1318, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 960, 961,
 &end
#
#    0 AMB  15-2:13      90 TRP  HE1         3.50    (#     13:15  Single Ambig)
 &rst
  ixpk= 13, nxpk= 15, iat=  -1,1318, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 960, 961,1255,1256,1257,1259,1260,1261,
 &end
#
#   70 ALA  MB           90 TRP  HE1         3.50    (#     14:15  Unique         3.62, 4.36 A)
 &rst
  ixpk= 14, nxpk= 15, iat=  -1,1318, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1036,1037,1038,
 &end
#
#   65 ILE  QD1          90 TRP  HE1         4.50    (#     15:15  Unique         3.95, 5.03 A)
 &rst
  ixpk= 15, nxpk= 15, iat=  -1,1318, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 963, 964, 965,
 &end
#
#   96 PHE  HA           96 PHE  HN          3.50    (#     16:15  Unique         2.91, 2.94 A)
 &rst
  ixpk= 16, nxpk= 15, iat=1415,1413, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   95 ILE  HA           96 PHE  HN          2.80    (#     17:15  Unique         2.18, 2.20 A)
 &rst
  ixpk= 17, nxpk= 15, iat=1396,1413, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   96 PHE  HB+          96 PHE  HN          3.50    (#     18:15  Unique         2.76, 3.21 A)
 &rst
  ixpk= 18, nxpk= 15, iat=  -1,1413, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1417,1418,
 &end
#
#   96 PHE  HB-          96 PHE  HN          3.50    (#     19:15  Unique         2.76, 3.21 A)
 &rst
  ixpk= 19, nxpk= 15, iat=  -1,1413, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1417,1418,
 &end
#
#   95 ILE  QG2          96 PHE  HN          2.80    (#     20:15  Unique         2.86, 3.50 A)
 &rst
  ixpk= 20, nxpk= 15, iat=  -1,1413, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1400,1401,1402,
 &end
#
#   75 VAL  MGX          76 VAL  HN          3.50    (#     21:15  Unique         2.18, 4.00 A)
 &rst
  ixpk= 21, nxpk= 15, iat=  -1,1115, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1105,1106,1107,1109,1110,1111,
 &end
#
#   96 PHE  HA           76 VAL  HN          3.50    (#     22:15  Unique         2.72, 2.83 A)
 &rst
  ixpk= 22, nxpk= 15, iat=1415,1115, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:23      76 VAL  HN          2.80    (#     23:15  Single Ambig)
 &rst
  ixpk= 23, nxpk= 15, iat=  -1,1115, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1101,1117,
 &end
#
#   76 VAL  HB           76 VAL  HN          4.50    (#     24:15  Unique         2.42, 2.72 A)
 &rst
  ixpk= 24, nxpk= 15, iat=1119,1115, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   76 VAL  MGX          76 VAL  HN          3.50    (#     25:15  Unique         2.36, 4.19 A)
 &rst
  ixpk= 25, nxpk= 15, iat=  -1,1115, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1121,1122,1123,1125,1126,1127,
 &end
#
#   75 VAL  MGY          76 VAL  HN          3.50    (#     26:15  Unique         2.18, 4.00 A)
 &rst
  ixpk= 26, nxpk= 15, iat=  -1,1115, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1105,1106,1107,1109,1110,1111,
 &end
#
#   95 ILE  HB           76 VAL  HN          3.50    (#     28:15  Unique         3.53, 3.57 A)
 &rst
  ixpk= 28, nxpk= 15, iat=1398,1115, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   76 VAL  MGY          76 VAL  HN          4.50    (#     29:15  Unique         2.36, 4.19 A)
 &rst
  ixpk= 29, nxpk= 15, iat=  -1,1115, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1121,1122,1123,1125,1126,1127,
 &end
#
#   55 ILE  HA           56 ASP  HN          2.80    (#     31:15  Unique         2.09, 2.19 A)
 &rst
  ixpk= 31, nxpk= 15, iat= 816, 833, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   56 ASP  HB+          56 ASP  HN          2.80    (#     32:15  Unique         2.15, 2.65 A)
 &rst
  ixpk= 32, nxpk= 15, iat=  -1, 833, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 837, 838,
 &end
#
#   56 ASP  HB-          56 ASP  HN          2.80    (#     33:15  Unique         2.15, 2.65 A)
 &rst
  ixpk= 33, nxpk= 15, iat=  -1, 833, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 837, 838,
 &end
#
#   55 ILE  HG1+         56 ASP  HN          4.50    (#     34:15  Unique         3.40, 4.09 A)
 &rst
  ixpk= 34, nxpk= 15, iat=  -1, 833, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 824, 825,
 &end
#
#   55 ILE  QG2          56 ASP  HN          2.80    (#     35:15  Unique         2.08, 3.01 A)
 &rst
  ixpk= 35, nxpk= 15, iat=  -1, 833, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 820, 821, 822,
 &end
#
#   30 ILE  HA           31 ALA  HN          2.80    (#     36:15  Unique         2.16, 2.28 A)
 &rst
  ixpk= 36, nxpk= 15, iat= 461, 478, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    1 MET  HG-          31 ALA  HN          4.50    (#     37:15  Unique         4.02, 4.91 A)
 &rst
  ixpk= 37, nxpk= 15, iat=  -1, 478, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=  11,  12,
 &end
#
#    0 AMB  15-2:38      31 ALA  HN          5.50    (#     38:15  Single Ambig)
 &rst
  ixpk= 38, nxpk= 15, iat=  -1, 478, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 441, 442,1103,
 &end
#
#    0 AMB  15-2:39      31 ALA  HN          2.80    (#     39:15  Single Ambig)
 &rst
  ixpk= 39, nxpk= 15, iat=  -1, 478, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 463,   8,   9,
 &end
#
#    0 AMB  15-2:40      31 ALA  HN          4.50    (#     40:15  Single Ambig)
 &rst
  ixpk= 40, nxpk= 15, iat=  -1, 478, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=  50,  51,  31,  32,
 &end
#
#   31 ALA  MB           31 ALA  HN          2.80    (#     41:15  Unique         2.52, 3.14 A)
 &rst
  ixpk= 41, nxpk= 15, iat=  -1, 478, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 482, 483, 484,
 &end
#
#   30 ILE  QG2          31 ALA  HN          3.50    (#     42:15  Unique         3.44, 4.39 A)
 &rst
  ixpk= 42, nxpk= 15, iat=  -1, 478, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 465, 466, 467,
 &end
#
#    4 VAL  MGY          31 ALA  HN          4.50    (#     43:15  Unique         2.82, 6.02 A)
 &rst
  ixpk= 43, nxpk= 15, iat=  -1, 478, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=  71,  72,  73,  75,  76,  77,
 &end
#
#   98 ASP  HA           99 TRP  HN          3.50    (#     44:15  Unique         2.15, 2.22 A)
 &rst
  ixpk= 44, nxpk= 15, iat=1450,1460, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   99 TRP  HA          100 GLN  HN          2.80    (#     45:15  Unique         2.11, 2.19 A)
 &rst
  ixpk= 45, nxpk= 15, iat=1462,1484, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  100 GLN  HB+         100 GLN  HN          3.50    (#     47:15  Unique         2.36, 3.13 A)
 &rst
  ixpk= 47, nxpk= 15, iat=  -1,1484, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1488,1489,
 &end
#
#    3 LYS  HA            4 VAL  HN          2.80    (#     48:15  Unique         2.09, 2.12 A)
 &rst
  ixpk= 48, nxpk= 15, iat=  45,  65, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:49       4 VAL  HN          2.80    (#     49:15  Single Ambig)
 &rst
  ixpk= 49, nxpk= 15, iat=  -1,  65, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=  69,  47,  48,
 &end
#
#    0 AMB  15-2:50       4 VAL  HN          4.50    (#     50:15  Single Ambig)
 &rst
  ixpk= 50, nxpk= 15, iat=  -1,  65, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=  50,  51,  53,  54,1911,1912,1913,1915,1916,1917,
      
 &end
#
#   31 ALA  MB            4 VAL  HN          3.50    (#     51:15  Unique         3.72, 4.57 A)
 &rst
  ixpk= 51, nxpk= 15, iat=  -1,  65, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 482, 483, 484,
 &end
#
#    4 VAL  MGY           4 VAL  HN          2.80    (#     52:15  Unique         2.55, 4.08 A)
 &rst
  ixpk= 52, nxpk= 15, iat=  -1,  65, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=  71,  72,  73,  75,  76,  77,
 &end
#
#    4 VAL  MGX           4 VAL  HN          4.50    (#     53:15  Unique         2.55, 4.08 A)
 &rst
  ixpk= 53, nxpk= 15, iat=  -1,  65, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=  71,  72,  73,  75,  76,  77,
 &end
#
#   76 VAL  HA           77 ILE  HN          2.80    (#     54:15  Unique         2.06, 2.09 A)
 &rst
  ixpk= 54, nxpk= 15, iat=1117,1131, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   77 ILE  HB           77 ILE  HN          3.50    (#     55:15  Unique         2.53, 2.58 A)
 &rst
  ixpk= 55, nxpk= 15, iat=1135,1131, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   76 VAL  MGY          77 ILE  HN          3.50    (#     56:15  Unique         3.01, 4.33 A)
 &rst
  ixpk= 56, nxpk= 15, iat=  -1,1131, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1121,1122,1123,1125,1126,1127,
 &end
#
#    4 VAL  HA            4 VAL  HN          3.50    (#     57:15  Unique         2.96, 2.97 A)
 &rst
  ixpk= 57, nxpk= 15, iat=  67,  65, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:58       5 MET  HN          2.80    (#     58:15  Single Ambig)
 &rst
  ixpk= 58, nxpk= 15, iat=  -1,  81, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=  67,  83,
 &end
#
#   76 VAL  HA            5 MET  HN          3.50    (#     59:15  Unique         2.48, 2.73 A)
 &rst
  ixpk= 59, nxpk= 15, iat=1117,  81, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   75 VAL  HB            5 MET  HN          4.50    (#     60:15  Unique         4.06, 4.23 A)
 &rst
  ixpk= 60, nxpk= 15, iat=1103,  81, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    5 MET  HB+           5 MET  HN          3.50    (#     61:15  Unique         2.63, 3.02 A)
 &rst
  ixpk= 61, nxpk= 15, iat=  -1,  81, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=  85,  86,
 &end
#
#   76 VAL  MGX           5 MET  HN          4.50    (#     62:15  Unique         3.79, 5.52 A)
 &rst
  ixpk= 62, nxpk= 15, iat=  -1,  81, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1121,1122,1123,1125,1126,1127,
 &end
#
#    0 AMB  15-2:63       5 MET  HN          3.50    (#     63:15  Single Ambig)
 &rst
  ixpk= 63, nxpk= 15, iat=  -1,  81, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=  85,  86,1121,1122,1123,1125,1126,1127,
 &end
#
#    4 VAL  MGY           5 MET  HN          4.50    (#     64:15  Unique         2.16, 3.84 A)
 &rst
  ixpk= 64, nxpk= 15, iat=  -1,  81, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=  71,  72,  73,  75,  76,  77,
 &end
#
#    4 VAL  MGX           5 MET  HN          2.80    (#     65:15  Unique         2.16, 3.84 A)
 &rst
  ixpk= 65, nxpk= 15, iat=  -1,  81, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=  71,  72,  73,  75,  76,  77,
 &end
#
#  100 GLN  HA          101 LEU  HN          3.50    (#     67:15  Unique         2.40, 2.78 A)
 &rst
  ixpk= 67, nxpk= 15, iat=1486,1501, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  101 LEU  HB+         101 LEU  HN          3.50    (#     68:15  Unique         2.17, 3.08 A)
 &rst
  ixpk= 68, nxpk= 15, iat=  -1,1501, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1505,1506,
 &end
#
#    0 AMB  15-2:69       2 LYS  HN          2.80    (#     69:15  Single Ambig)
 &rst
  ixpk= 69, nxpk= 15, iat=  -1,  21, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=   6,  23,
 &end
#
#    2 LYS  HB+           2 LYS  HN          2.80    (#     70:15  Unique         2.58, 3.22 A)
 &rst
  ixpk= 70, nxpk= 15, iat=  -1,  21, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=  25,  26,
 &end
#
#    2 LYS  HD+           2 LYS  HN          2.80    (#     71:15  Unique         1.62, 2.82 A)
 &rst
  ixpk= 71, nxpk= 15, iat=  -1,  21, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=  31,  32,
 &end
#
#   30 ILE  QG2           2 LYS  HN          3.50    (#     72:15  Unique         3.48, 4.70 A)
 &rst
  ixpk= 72, nxpk= 15, iat=  -1,  21, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 465, 466, 467,
 &end
#
#   51 GLU  HA           51 GLU  HN          3.50    (#     73:15  Unique         2.81, 2.83 A)
 &rst
  ixpk= 73, nxpk= 15, iat= 763, 761, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   51 GLU  HB+          51 GLU  HN          2.80    (#     74:15  Unique         2.39, 2.47 A)
 &rst
  ixpk= 74, nxpk= 15, iat=  -1, 761, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 765, 766,
 &end
#
#    5 MET  HA            6 PHE  HN          2.80    (#     76:15  Unique         2.11, 2.19 A)
 &rst
  ixpk= 76, nxpk= 15, iat=  83,  98, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   84 VAL  HB           85 ASN  HN          4.50    (#     77:15  Unique         3.99, 4.20 A)
 &rst
  ixpk= 77, nxpk= 15, iat=1220,1232, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   85 ASN  HA           85 ASN  HN          3.50    (#     78:15  Unique         2.30, 2.91 A)
 &rst
  ixpk= 78, nxpk= 15, iat=1234,1232, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   84 VAL  HA           85 ASN  HN          2.80    (#     80:15  Unique         2.06, 2.16 A)
 &rst
  ixpk= 80, nxpk= 15, iat=1218,1232, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   85 ASN  HB+          85 ASN  HN          3.50    (#     81:15  Unique         2.17, 2.67 A)
 &rst
  ixpk= 81, nxpk= 15, iat=  -1,1232, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1236,1237,
 &end
#
#   85 ASN  HB-          85 ASN  HN          2.80    (#     82:15  Unique         2.17, 2.67 A)
 &rst
  ixpk= 82, nxpk= 15, iat=  -1,1232, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1236,1237,
 &end
#
#   84 VAL  MGY          85 ASN  HN          2.80    (#     83:15  Unique         2.63, 4.25 A)
 &rst
  ixpk= 83, nxpk= 15, iat=  -1,1232, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1222,1223,1224,1226,1227,1228,
 &end
#
#   46 ALA  MB           46 ALA  HN          2.80    (#     84:15  Unique         2.38, 3.02 A)
 &rst
  ixpk= 84, nxpk= 15, iat=  -1, 688, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 692, 693, 694,
 &end
#
#   41 ARG  HA           42 VAL  HN          3.50    (#     85:15  Unique         2.09, 2.52 A)
 &rst
  ixpk= 85, nxpk= 15, iat= 605, 627, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  114 THR  HB          115 VAL  HN          2.80    (#     88:15  Unique         2.71, 2.77 A)
 &rst
  ixpk= 88, nxpk= 15, iat=1706,1716, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  115 VAL  HA          115 VAL  HN          2.80    (#     89:15  Unique         2.83, 2.85 A)
 &rst
  ixpk= 89, nxpk= 15, iat=1718,1716, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  111 VAL  HA          115 VAL  HN          3.50    (#     90:15  Unique         3.54, 3.60 A)
 &rst
  ixpk= 90, nxpk= 15, iat=1644,1716, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  115 VAL  HB          115 VAL  HN          2.80    (#     91:15  Unique         2.20, 2.42 A)
 &rst
  ixpk= 91, nxpk= 15, iat=1720,1716, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:92     115 VAL  HN          3.50    (#     92:15  Single Ambig)
 &rst
  ixpk= 92, nxpk= 15, iat=  -1,1716, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
 igr1=1708,1709,1710,1551,1552,
 &end
#
#  115 VAL  MGY         115 VAL  HN          2.80    (#     93:15  Unique         2.22, 3.84 A)
 &rst
  ixpk= 93, nxpk= 15, iat=  -1,1716, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1722,1723,1724,1726,1727,1728,
 &end
#
#  130 ILE  HA          131 SER  HN          3.50    (#     95:15  Unique         3.53, 3.56 A)
 &rst
  ixpk= 95, nxpk= 15, iat=1974,1991, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  131 SER  HB+         131 SER  HN          3.50    (#     96:15  Unique         2.43, 3.01 A)
 &rst
  ixpk= 96, nxpk= 15, iat=  -1,1991, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1995,1996,
 &end
#
#  130 ILE  HG1-        131 SER  HN          3.50    (#     97:15  Unique         2.67, 3.34 A)
 &rst
  ixpk= 97, nxpk= 15, iat=  -1,1991, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1982,1983,
 &end
#
#    0 AMB  15-2:98     131 SER  HN          3.50    (#     98:15  Single Ambig)
 &rst
  ixpk= 98, nxpk= 15, iat=  -1,1991, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1927,1928,1929, 465, 466, 467,1978,1979,1980,
 &end
#
#  131 SER  HA          131 SER  HN          2.80    (#     99:15  Unique         2.76, 2.84 A)
 &rst
  ixpk= 99, nxpk= 15, iat=1993,1991, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  128 ALA  HA          131 SER  HN          4.50    (#    100:15  Unique         4.00, 4.09 A)
 &rst
  ixpk= 100, nxpk= 15, iat=1942,1991, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  131 SER  HB-         131 SER  HN          3.50    (#    101:15  Unique         2.43, 3.01 A)
 &rst
  ixpk= 101, nxpk= 15, iat=  -1,1991, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1995,1996,
 &end
#
#  130 ILE  HB          131 SER  HN          4.50    (#    102:15  Unique         3.19, 3.49 A)
 &rst
  ixpk= 102, nxpk= 15, iat=1976,1991, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  130 ILE  HG1+        131 SER  HN          3.50    (#    103:15  Unique         2.67, 3.34 A)
 &rst
  ixpk= 103, nxpk= 15, iat=  -1,1991, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1982,1983,
 &end
#
#   27 ALA  HA           27 ALA  HN          2.80    (#    104:15  Unique         2.79, 2.81 A)
 &rst
  ixpk= 104, nxpk= 15, iat= 422, 420, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   26 GLY  HA-          27 ALA  HN          3.50    (#    105:15  Unique         3.10, 3.30 A)
 &rst
  ixpk= 105, nxpk= 15, iat=  -1, 420, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 415, 416,
 &end
#
#   27 ALA  MB           27 ALA  HN          2.80    (#    106:15  Unique         2.50, 2.90 A)
 &rst
  ixpk= 106, nxpk= 15, iat=  -1, 420, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 424, 425, 426,
 &end
#
#   96 PHE  HA           97 GLU  HN          2.80    (#    107:15  Unique         2.06, 2.11 A)
 &rst
  ixpk= 107, nxpk= 15, iat=1415,1433, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   77 ILE  HA           97 GLU  HN          4.50    (#    108:15  Unique         2.85, 3.03 A)
 &rst
  ixpk= 108, nxpk= 15, iat=1133,1433, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   65 ILE  HB           65 ILE  HN          3.50    (#    110:15  Unique         2.35, 2.47 A)
 &rst
  ixpk= 110, nxpk= 15, iat= 954, 950, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   65 ILE  QG2          65 ILE  HN          3.50    (#    111:15  Unique         1.96, 3.02 A)
 &rst
  ixpk= 111, nxpk= 15, iat=  -1, 950, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 956, 957, 958,
 &end
#
#   47 ILE  QG2          48 ALA  HN          3.50    (#    112:15  Unique         2.82, 3.86 A)
 &rst
  ixpk= 112, nxpk= 15, iat=  -1, 717, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 704, 705, 706,
 &end
#
#   48 ALA  HA           48 ALA  HN          3.50    (#    113:15  Unique         2.81, 2.82 A)
 &rst
  ixpk= 113, nxpk= 15, iat= 719, 717, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   45 THR  HA           48 ALA  HN          3.50    (#    114:15  Unique         3.17, 3.33 A)
 &rst
  ixpk= 114, nxpk= 15, iat= 676, 717, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   47 ILE  HB           48 ALA  HN          2.80    (#    115:15  Unique         2.58, 2.72 A)
 &rst
  ixpk= 115, nxpk= 15, iat= 702, 717, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   48 ALA  MB           48 ALA  HN          2.80    (#    116:15  Unique         2.50, 2.90 A)
 &rst
  ixpk= 116, nxpk= 15, iat=  -1, 717, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 721, 722, 723,
 &end
#
#    3 LYS  HA            3 LYS  HN          3.50    (#    118:15  Unique         2.93, 2.96 A)
 &rst
  ixpk= 118, nxpk= 15, iat=  45,  43, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   74 ASP  HB+           3 LYS  HN          4.50    (#    119:15  Unique         2.45, 3.46 A)
 &rst
  ixpk= 119, nxpk= 15, iat=  -1,  43, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1091,1092,
 &end
#
#   74 ASP  HB-           3 LYS  HN          3.50    (#    120:15  Unique         2.45, 3.46 A)
 &rst
  ixpk= 120, nxpk= 15, iat=  -1,  43, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1091,1092,
 &end
#
#    2 LYS  HA            3 LYS  HN          2.80    (#    121:15  Unique         2.17, 2.23 A)
 &rst
  ixpk= 121, nxpk= 15, iat=  23,  43, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    3 LYS  HB+           3 LYS  HN          2.80    (#    122:15  Unique         2.65, 3.23 A)
 &rst
  ixpk= 122, nxpk= 15, iat=  -1,  43, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=  47,  48,
 &end
#
#    3 LYS  HG+           3 LYS  HN          2.80    (#    123:15  Unique         2.14, 2.86 A)
 &rst
  ixpk= 123, nxpk= 15, iat=  -1,  43, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=  50,  51,
 &end
#
#    3 LYS  HG-           3 LYS  HN          4.50    (#    124:15  Unique         2.14, 2.86 A)
 &rst
  ixpk= 124, nxpk= 15, iat=  -1,  43, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=  50,  51,
 &end
#
#  101 LEU  HA          102 GLU  HN          2.80    (#    125:15  Unique         2.09, 2.49 A)
 &rst
  ixpk= 125, nxpk= 15, iat=1503,1520, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  102 GLU  HA          102 GLU  HN          2.80    (#    126:15  Unique         2.19, 2.74 A)
 &rst
  ixpk= 126, nxpk= 15, iat=1522,1520, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:127      0 AMB  15-1:127    2.80    (#    127:15  Double Ambig)
 &rst
  ixpk= 127, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1527,1528, 313, 314,
 igr2=1520, 504,
 &end
#
#    0 AMB  15-2:128    102 GLU  HN          2.80    (#    128:15  Single Ambig)
 &rst
  ixpk= 128, nxpk= 15, iat=  -1,1520, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1505,1506,1524,1525,
 &end
#
#    1 MET  HB+           1 MET  HN          4.50    (#    130:15  Unique         2.37, 2.92 A)
 &rst
  ixpk= 130, nxpk= 15, iat=  -1,   2, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=   8,   9,
 &end
#
#    7 VAL  MGX           8 CYS  HN          3.50    (#    131:15  Unique         2.31, 4.42 A)
 &rst
  ixpk= 131, nxpk= 15, iat=  -1, 134, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 124, 125, 126, 128, 129, 130,
 &end
#
#   31 ALA  HA           32 VAL  HN          2.80    (#    132:15  Unique         2.20, 2.30 A)
 &rst
  ixpk= 132, nxpk= 15, iat= 480, 488, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   32 VAL  HB           32 VAL  HN          2.80    (#    134:15  Unique         2.47, 2.73 A)
 &rst
  ixpk= 134, nxpk= 15, iat= 492, 488, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   31 ALA  MB           32 VAL  HN          3.50    (#    135:15  Unique         2.76, 3.80 A)
 &rst
  ixpk= 135, nxpk= 15, iat=  -1, 488, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 482, 483, 484,
 &end
#
#   32 VAL  MGX          32 VAL  HN          3.50    (#    136:15  Unique         2.19, 3.95 A)
 &rst
  ixpk= 136, nxpk= 15, iat=  -1, 488, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 494, 495, 496, 498, 499, 500,
 &end
#
#   32 VAL  MGY          32 VAL  HN          2.80    (#    137:15  Unique         2.19, 3.95 A)
 &rst
  ixpk= 137, nxpk= 15, iat=  -1, 488, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 494, 495, 496, 498, 499, 500,
 &end
#
#    0 AMB  15-2:138      0 AMB  15-1:138    2.80    (#    138:15  Double Ambig)
 &rst
  ixpk= 138, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 494, 495, 496, 498, 499, 500,1722,1723,1724,1726,
      1727,1728,1722,1723,1724,1726,1727,1728,
 igr2= 504,1520,
 &end
#
#    7 VAL  HA            8 CYS  HN          3.50    (#    139:15  Unique         2.08, 2.20 A)
 &rst
  ixpk= 139, nxpk= 15, iat= 120, 134, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  118 GLN  HA          118 GLN  HN          2.80    (#    140:15  Unique         2.84, 2.87 A)
 &rst
  ixpk= 140, nxpk= 15, iat=1765,1763, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:141    118 GLN  HN          2.80    (#    141:15  Single Ambig)
 &rst
  ixpk= 141, nxpk= 15, iat=  -1,1763, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1758,1759,1718,
 &end
#
#  118 GLN  HB+         118 GLN  HN          2.80    (#    142:15  Unique         2.27, 3.04 A)
 &rst
  ixpk= 142, nxpk= 15, iat=  -1,1763, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1767,1768,
 &end
#
#  118 GLN  HB-         118 GLN  HN          2.80    (#    143:15  Unique         2.27, 3.04 A)
 &rst
  ixpk= 143, nxpk= 15, iat=  -1,1763, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1767,1768,
 &end
#
#  114 THR  MG2         118 GLN  HN          4.50    (#    144:15  Unique         4.07, 5.20 A)
 &rst
  ixpk= 144, nxpk= 15, iat=  -1,1763, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1708,1709,1710,
 &end
#
#    0 AMB  15-2:145    118 GLN  HN          4.50    (#    145:15  Single Ambig)
 &rst
  ixpk= 145, nxpk= 15, iat=  -1,1763, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
 igr1=1508,1722,1723,1724,1726,1727,1728,
 &end
#
#   32 VAL  HA           32 VAL  HN          2.80    (#    146:15  Unique         2.93, 2.94 A)
 &rst
  ixpk= 146, nxpk= 15, iat= 490, 488, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   32 VAL  HA           33 THR  HN          2.80    (#    147:15  Unique         2.20, 2.27 A)
 &rst
  ixpk= 147, nxpk= 15, iat= 490, 504, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   33 THR  HA           33 THR  HN          3.50    (#    148:15  Unique         2.94, 2.96 A)
 &rst
  ixpk= 148, nxpk= 15, iat= 506, 504, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   32 VAL  MGX          33 THR  HN          3.50    (#    149:15  Unique         2.32, 4.38 A)
 &rst
  ixpk= 149, nxpk= 15, iat=  -1, 504, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 494, 495, 496, 498, 499, 500,
 &end
#
#   22 ALA  HA           22 ALA  HN          4.50    (#    150:15  Unique         2.84, 2.87 A)
 &rst
  ixpk= 150, nxpk= 15, iat= 350, 348, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:151     22 ALA  HN          4.50    (#    151:15  Single Ambig)
 &rst
  ixpk= 151, nxpk= 15, iat=  -1, 348, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1863,1864,1865,1867,1868,1869, 494, 495, 496, 498,
       499, 500,
 &end
#
#   22 ALA  MB           22 ALA  HN          2.80    (#    152:15  Unique         2.33, 2.88 A)
 &rst
  ixpk= 152, nxpk= 15, iat=  -1, 348, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 352, 353, 354,
 &end
#
#  125 ASN  HB+         126 LEU  HN          2.80    (#    153:15  Unique         2.69, 2.98 A)
 &rst
  ixpk= 153, nxpk= 15, iat=  -1,1902, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1892,1893,
 &end
#
#  126 LEU  HA          126 LEU  HN          2.80    (#    154:15  Unique         2.85, 2.87 A)
 &rst
  ixpk= 154, nxpk= 15, iat=1904,1902, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  123 VAL  HA          126 LEU  HN          3.50    (#    155:15  Unique         3.55, 3.58 A)
 &rst
  ixpk= 155, nxpk= 15, iat=1859,1902, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  126 LEU  HB+         126 LEU  HN          2.80    (#    156:15  Unique         2.08, 2.60 A)
 &rst
  ixpk= 156, nxpk= 15, iat=  -1,1902, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1906,1907,
 &end
#
#  126 LEU  HB-         126 LEU  HN          2.80    (#    157:15  Unique         2.08, 2.60 A)
 &rst
  ixpk= 157, nxpk= 15, iat=  -1,1902, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1906,1907,
 &end
#
#    0 AMB  15-2:158    126 LEU  HN          4.50    (#    158:15  Single Ambig)
 &rst
  ixpk= 158, nxpk= 15, iat=  -1,1902, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
 igr1=1911,1912,1913,1915,1916,1917,1909,
 &end
#
#  108 SER  HB+         111 VAL  HN          4.50    (#    160:15  Unique         2.93, 3.81 A)
 &rst
  ixpk= 160, nxpk= 15, iat=  -1,1642, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1601,1602,
 &end
#
#  109 LEU  HA          111 VAL  HN          5.50    (#    161:15  Unique         4.20, 4.33 A)
 &rst
  ixpk= 161, nxpk= 15, iat=1610,1642, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  111 VAL  HA          111 VAL  HN          2.80    (#    162:15  Unique         2.87, 2.88 A)
 &rst
  ixpk= 162, nxpk= 15, iat=1644,1642, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  111 VAL  HB          111 VAL  HN          2.80    (#    163:15  Unique         2.48, 2.57 A)
 &rst
  ixpk= 163, nxpk= 15, iat=1646,1642, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  110 GLU  HB-         111 VAL  HN          2.80    (#    164:15  Unique         2.38, 3.11 A)
 &rst
  ixpk= 164, nxpk= 15, iat=  -1,1642, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1631,1632,
 &end
#
#  111 VAL  MGY         111 VAL  HN          2.80    (#    165:15  Unique         2.14, 3.87 A)
 &rst
  ixpk= 165, nxpk= 15, iat=  -1,1642, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1648,1649,1650,1652,1653,1654,
 &end
#
#  111 VAL  MGX         111 VAL  HN          3.50    (#    166:15  Unique         2.14, 3.87 A)
 &rst
  ixpk= 166, nxpk= 15, iat=  -1,1642, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1648,1649,1650,1652,1653,1654,
 &end
#
#  123 VAL  HA          123 VAL  HN          2.80    (#    167:15  Unique         2.80, 2.81 A)
 &rst
  ixpk= 167, nxpk= 15, iat=1859,1857, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  123 VAL  HB          123 VAL  HN          2.80    (#    168:15  Unique         2.21, 2.28 A)
 &rst
  ixpk= 168, nxpk= 15, iat=1861,1857, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  123 VAL  MGY         123 VAL  HN          2.80    (#    169:15  Unique         2.19, 3.86 A)
 &rst
  ixpk= 169, nxpk= 15, iat=  -1,1857, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1863,1864,1865,1867,1868,1869,
 &end
#
#  123 VAL  MGX         123 VAL  HN          3.50    (#    170:15  Unique         2.19, 3.86 A)
 &rst
  ixpk= 170, nxpk= 15, iat=  -1,1857, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1863,1864,1865,1867,1868,1869,
 &end
#
#  122 ARG  HB+         123 VAL  HN          3.50    (#    171:15  Unique         2.45, 3.13 A)
 &rst
  ixpk= 171, nxpk= 15, iat=  -1,1857, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1837,1838,
 &end
#
#   74 ASP  HA           94 GLU  HN          4.50    (#    172:15  Unique         2.59, 2.97 A)
 &rst
  ixpk= 172, nxpk= 15, iat=1089,1379, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   93 GLN  HA           94 GLU  HN          2.80    (#    174:15  Unique         2.20, 2.35 A)
 &rst
  ixpk= 174, nxpk= 15, iat=1364,1379, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   94 GLU  HA           94 GLU  HN          2.80    (#    175:15  Unique         2.87, 2.89 A)
 &rst
  ixpk= 175, nxpk= 15, iat=1381,1379, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   93 GLN  HB+          94 GLU  HN          2.80    (#    176:15  Unique         2.17, 3.09 A)
 &rst
  ixpk= 176, nxpk= 15, iat=  -1,1379, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1366,1367,
 &end
#
#   94 GLU  HB+          94 GLU  HN          2.80    (#    177:15  Unique         2.01, 2.58 A)
 &rst
  ixpk= 177, nxpk= 15, iat=  -1,1379, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1383,1384,
 &end
#
#   94 GLU  HB-          94 GLU  HN          2.80    (#    178:15  Unique         2.01, 2.58 A)
 &rst
  ixpk= 178, nxpk= 15, iat=  -1,1379, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1383,1384,
 &end
#
#   93 GLN  HG-          94 GLU  HN          4.50    (#    179:15  Unique         4.01, 4.92 A)
 &rst
  ixpk= 179, nxpk= 15, iat=  -1,1379, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1369,1370,
 &end
#
#   93 GLN  HB-          94 GLU  HN          2.80    (#    180:15  Unique         2.17, 3.09 A)
 &rst
  ixpk= 180, nxpk= 15, iat=  -1,1379, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1366,1367,
 &end
#
#   55 ILE  HG1-         55 ILE  HN          3.50    (#    181:15  Unique         3.09, 3.76 A)
 &rst
  ixpk= 181, nxpk= 15, iat=  -1, 814, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 824, 825,
 &end
#
#   55 ILE  HG1+         55 ILE  HN          3.50    (#    182:15  Unique         3.09, 3.76 A)
 &rst
  ixpk= 182, nxpk= 15, iat=  -1, 814, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 824, 825,
 &end
#
#   55 ILE  QD1          55 ILE  HN          4.50    (#    183:15  Unique         4.41, 5.27 A)
 &rst
  ixpk= 183, nxpk= 15, iat=  -1, 814, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 827, 828, 829,
 &end
#
#    7 VAL  MGY           7 VAL  HN          3.50    (#    184:15  Unique         2.17, 3.92 A)
 &rst
  ixpk= 184, nxpk= 15, iat=  -1, 118, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 124, 125, 126, 128, 129, 130,
 &end
#
#   55 ILE  HA           55 ILE  HN          2.80    (#    185:15  Unique         2.94, 2.95 A)
 &rst
  ixpk= 185, nxpk= 15, iat= 816, 814, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   51 GLU  HA           55 ILE  HN          2.80    (#    186:15  Unique         2.80, 2.84 A)
 &rst
  ixpk= 186, nxpk= 15, iat= 763, 814, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:187     55 ILE  HN          2.80    (#    187:15  Single Ambig)
 &rst
  ixpk= 187, nxpk= 15, iat=  -1, 814, r1= 0.00, r2= 1.80, r3= 3.87, r4= 4.62,
 igr1= 818, 797, 798, 799, 801, 802, 803,
 &end
#
#   55 ILE  QG2          55 ILE  HN          4.50    (#    188:15  Unique         4.04, 4.57 A)
 &rst
  ixpk= 188, nxpk= 15, iat=  -1, 814, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 820, 821, 822,
 &end
#
#   98 ASP  HA           98 ASP  HN          3.50    (#    189:15  Unique         2.88, 2.91 A)
 &rst
  ixpk= 189, nxpk= 15, iat=1450,1448, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   97 GLU  HA           98 ASP  HN          2.80    (#    190:15  Unique         2.32, 2.39 A)
 &rst
  ixpk= 190, nxpk= 15, iat=1435,1448, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   98 ASP  HB+          98 ASP  HN          2.80    (#    191:15  Unique         2.82, 3.18 A)
 &rst
  ixpk= 191, nxpk= 15, iat=  -1,1448, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1452,1453,
 &end
#
#   98 ASP  HB-          98 ASP  HN          2.80    (#    192:15  Unique         2.82, 3.18 A)
 &rst
  ixpk= 192, nxpk= 15, iat=  -1,1448, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1452,1453,
 &end
#
#   97 GLU  HG+          98 ASP  HN          3.50    (#    193:15  Unique         2.16, 4.01 A)
 &rst
  ixpk= 193, nxpk= 15, iat=  -1,1448, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1440,1441,
 &end
#
#    0 AMB  15-2:194     98 ASP  HN          2.80    (#    194:15  Single Ambig)
 &rst
  ixpk= 194, nxpk= 15, iat=  -1,1448, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1440,1441,1437,1438,
 &end
#
#   97 GLU  HB+          98 ASP  HN          3.50    (#    195:15  Unique         2.28, 3.26 A)
 &rst
  ixpk= 195, nxpk= 15, iat=  -1,1448, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1437,1438,
 &end
#
#    7 VAL  HB            7 VAL  HN          2.80    (#    196:15  Unique         2.62, 2.77 A)
 &rst
  ixpk= 196, nxpk= 15, iat= 122, 118, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  116 ARG  HB+         116 ARG  HN          2.80    (#    197:15  Unique         1.96, 2.61 A)
 &rst
  ixpk= 197, nxpk= 15, iat=  -1,1732, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1736,1737,
 &end
#
#  116 ARG  HA          116 ARG  HN          3.50    (#    198:15  Unique         2.74, 2.79 A)
 &rst
  ixpk= 198, nxpk= 15, iat=1734,1732, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:199      0 AMB  15-1:199    2.80    (#    199:15  Double Ambig)
 &rst
  ixpk= 199, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1877,1878,1720,
 igr2=1873,1732,
 &end
#
#  114 THR  HB          114 THR  HN          2.80    (#    200:15  Unique         2.44, 2.50 A)
 &rst
  ixpk= 200, nxpk= 15, iat=1706,1702, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  111 VAL  HA          114 THR  HN          3.50    (#    201:15  Unique         2.89, 3.06 A)
 &rst
  ixpk= 201, nxpk= 15, iat=1644,1702, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  113 ARG  HB+         114 THR  HN          3.50    (#    202:15  Unique         2.43, 3.22 A)
 &rst
  ixpk= 202, nxpk= 15, iat=  -1,1702, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1682,1683,
 &end
#
#   60 GLN  HA           60 GLN  HN          2.80    (#    204:15  Unique         2.78, 2.90 A)
 &rst
  ixpk= 204, nxpk= 15, iat= 884, 882, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   60 GLN  HB-          60 GLN  HN          3.50    (#    205:15  Unique         2.06, 3.05 A)
 &rst
  ixpk= 205, nxpk= 15, iat=  -1, 882, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 886, 887,
 &end
#
#   60 GLN  HB+          60 GLN  HN          2.80    (#    206:15  Unique         2.06, 3.05 A)
 &rst
  ixpk= 206, nxpk= 15, iat=  -1, 882, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 886, 887,
 &end
#
#   60 GLN  HG+          60 GLN  HN          2.80    (#    207:15  Unique         2.24, 3.33 A)
 &rst
  ixpk= 207, nxpk= 15, iat=  -1, 882, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 889, 890,
 &end
#
#   42 VAL  MGY          60 GLN  HN          3.50    (#    208:15  Unique         2.17, 5.43 A)
 &rst
  ixpk= 208, nxpk= 15, iat=  -1, 882, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 633, 634, 635, 637, 638, 639,
 &end
#
#   25 LEU  HG           25 LEU  HN          2.80    (#    209:15  Unique         2.51, 2.56 A)
 &rst
  ixpk= 209, nxpk= 15, iat= 401, 394, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:210      0 AMB  15-1:210    2.80    (#    210:15  Double Ambig)
 &rst
  ixpk= 210, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=1863,1864,1865,1867,1868,1869,1722,1723,1724,1726,
      1727,1728, 403, 404, 405, 407, 408, 409,
 igr2=1873,1732,
 &end
#
#  128 ALA  MB          128 ALA  HN          2.80    (#    213:15  Unique         2.43, 2.87 A)
 &rst
  ixpk= 213, nxpk= 15, iat=  -1,1940, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1944,1945,1946,
 &end
#
#  128 ALA  HA          128 ALA  HN          2.80    (#    214:15  Unique         2.81, 2.81 A)
 &rst
  ixpk= 214, nxpk= 15, iat=1942,1940, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  127 ILE  HB          128 ALA  HN          2.80    (#    215:15  Unique         2.80, 2.83 A)
 &rst
  ixpk= 215, nxpk= 15, iat=1925,1940, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:216     25 LEU  HN          2.80    (#    216:15  Single Ambig)
 &rst
  ixpk= 216, nxpk= 15, iat=  -1, 394, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 384, 382,
 &end
#
#   37 LEU  HB+          37 LEU  HN          3.50    (#    217:15  Unique         2.28, 3.23 A)
 &rst
  ixpk= 217, nxpk= 15, iat=  -1, 547, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 551, 552,
 &end
#
#    0 AMB  15-2:218     25 LEU  HN          4.50    (#    218:15  Single Ambig)
 &rst
  ixpk= 218, nxpk= 15, iat=  -1, 394, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 403, 404, 405, 407, 408, 409,1863,1864,1865,1867,
      1868,1869,
 &end
#
#  124 GLU  HB+         124 GLU  HN          2.80    (#    221:15  Unique         2.30, 2.39 A)
 &rst
  ixpk= 221, nxpk= 15, iat=  -1,1873, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1877,1878,
 &end
#
#  118 GLN  HB-         119 VAL  HN          2.80    (#    222:15  Unique         2.58, 3.32 A)
 &rst
  ixpk= 222, nxpk= 15, iat=  -1,1780, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1767,1768,
 &end
#
#    0 AMB  15-2:223    119 VAL  HN          3.50    (#    223:15  Single Ambig)
 &rst
  ixpk= 223, nxpk= 15, iat=  -1,1780, r1= 0.00, r2= 1.80, r3= 5.37, r4= 6.12,
 igr1=1508,1722,1723,1724,1726,1727,1728,1722,1723,1724,
      1726,1727,1728,
 &end
#
#  103 ASP  HA          103 ASP  HN          3.50    (#    224:15  Unique         2.84, 2.93 A)
 &rst
  ixpk= 224, nxpk= 15, iat=1537,1535, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  102 GLU  HA          103 ASP  HN          2.80    (#    225:15  Unique         2.06, 2.18 A)
 &rst
  ixpk= 225, nxpk= 15, iat=1522,1535, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  103 ASP  HB+         103 ASP  HN          2.80    (#    226:15  Unique         2.16, 2.64 A)
 &rst
  ixpk= 226, nxpk= 15, iat=  -1,1535, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1539,1540,
 &end
#
#  103 ASP  HB-         103 ASP  HN          2.80    (#    227:15  Unique         2.16, 2.64 A)
 &rst
  ixpk= 227, nxpk= 15, iat=  -1,1535, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1539,1540,
 &end
#
#  102 GLU  HG+         103 ASP  HN          3.50    (#    228:15  Unique         3.55, 4.14 A)
 &rst
  ixpk= 228, nxpk= 15, iat=  -1,1535, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1527,1528,
 &end
#
#  102 GLU  HB-         103 ASP  HN          2.80    (#    229:15  Unique         2.26, 3.40 A)
 &rst
  ixpk= 229, nxpk= 15, iat=  -1,1535, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1524,1525,
 &end
#
#  117 GLY  HA-         120 LYS  HN          4.50    (#    230:15  Unique         3.21, 3.96 A)
 &rst
  ixpk= 230, nxpk= 15, iat=  -1,1796, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1758,1759,
 &end
#
#  120 LYS  HA          120 LYS  HN          3.50    (#    231:15  Unique         2.71, 2.74 A)
 &rst
  ixpk= 231, nxpk= 15, iat=1798,1796, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  119 VAL  HB          120 LYS  HN          2.80    (#    232:15  Unique         2.58, 2.80 A)
 &rst
  ixpk= 232, nxpk= 15, iat=1784,1796, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:233    120 LYS  HN          2.80    (#    233:15  Single Ambig)
 &rst
  ixpk= 233, nxpk= 15, iat=  -1,1796, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1800,1801,1806,1807,
 &end
#
#  119 VAL  MGY         120 LYS  HN          4.50    (#    234:15  Unique         3.40, 4.65 A)
 &rst
  ixpk= 234, nxpk= 15, iat=  -1,1796, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1786,1787,1788,1790,1791,1792,
 &end
#
#  120 LYS  HB-         120 LYS  HN          2.80    (#    235:15  Unique         2.04, 3.01 A)
 &rst
  ixpk= 235, nxpk= 15, iat=  -1,1796, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1800,1801,
 &end
#
#  120 LYS  HG+         120 LYS  HN          3.50    (#    236:15  Unique         1.93, 3.03 A)
 &rst
  ixpk= 236, nxpk= 15, iat=  -1,1796, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1803,1804,
 &end
#
#  118 GLN  HA          119 VAL  HN          3.50    (#    237:15  Unique         3.51, 3.52 A)
 &rst
  ixpk= 237, nxpk= 15, iat=1765,1780, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  119 VAL  HA          119 VAL  HN          3.50    (#    238:15  Unique         2.86, 2.89 A)
 &rst
  ixpk= 238, nxpk= 15, iat=1782,1780, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  119 VAL  HB          119 VAL  HN          2.80    (#    239:15  Unique         2.20, 2.32 A)
 &rst
  ixpk= 239, nxpk= 15, iat=1784,1780, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  119 VAL  MGY         119 VAL  HN          2.80    (#    240:15  Unique         2.28, 3.88 A)
 &rst
  ixpk= 240, nxpk= 15, iat=  -1,1780, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1786,1787,1788,1790,1791,1792,
 &end
#
#  109 LEU  HB-         109 LEU  HN          3.50    (#    241:15  Unique         2.45, 3.05 A)
 &rst
  ixpk= 241, nxpk= 15, iat=  -1,1608, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1612,1613,
 &end
#
#  108 SER  HA          109 LEU  HN          2.80    (#    243:15  Unique         2.33, 2.44 A)
 &rst
  ixpk= 243, nxpk= 15, iat=1599,1608, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  108 SER  HB-         109 LEU  HN          3.50    (#    244:15  Unique         2.44, 3.16 A)
 &rst
  ixpk= 244, nxpk= 15, iat=  -1,1608, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1601,1602,
 &end
#
#    0 AMB  15-2:245    109 LEU  HN          2.80    (#    245:15  Single Ambig)
 &rst
  ixpk= 245, nxpk= 15, iat=  -1,1608, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1615,1612,1613,
 &end
#
#   68 PHE  HA           69 ASN  HN          2.80    (#    246:15  Unique         2.31, 2.42 A)
 &rst
  ixpk= 246, nxpk= 15, iat=1000,1018, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   68 PHE  HB+          69 ASN  HN          3.50    (#    247:15  Unique         2.19, 3.02 A)
 &rst
  ixpk= 247, nxpk= 15, iat=  -1,1018, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1002,1003,
 &end
#
#   68 PHE  HB-          69 ASN  HN          3.50    (#    248:15  Unique         2.19, 3.02 A)
 &rst
  ixpk= 248, nxpk= 15, iat=  -1,1018, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1002,1003,
 &end
#
#   69 ASN  HB+          69 ASN  HN          3.50    (#    249:15  Unique         2.45, 3.36 A)
 &rst
  ixpk= 249, nxpk= 15, iat=  -1,1018, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1022,1023,
 &end
#
#   69 ASN  HB-          69 ASN  HN          3.50    (#    250:15  Unique         2.45, 3.36 A)
 &rst
  ixpk= 250, nxpk= 15, iat=  -1,1018, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1022,1023,
 &end
#
#    0 AMB  15-2:253     93 GLN  HN          3.50    (#    253:15  Single Ambig)
 &rst
  ixpk= 253, nxpk= 15, iat=  -1,1362, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1352,1350,
 &end
#
#   93 GLN  HB+          93 GLN  HN          3.50    (#    254:15  Unique         2.18, 3.27 A)
 &rst
  ixpk= 254, nxpk= 15, iat=  -1,1362, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1366,1367,
 &end
#
#   93 GLN  HG-          93 GLN  HN          3.50    (#    255:15  Unique         1.88, 2.98 A)
 &rst
  ixpk= 255, nxpk= 15, iat=  -1,1362, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1369,1370,
 &end
#
#   93 GLN  HB-          93 GLN  HN          3.50    (#    256:15  Unique         2.18, 3.27 A)
 &rst
  ixpk= 256, nxpk= 15, iat=  -1,1362, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1366,1367,
 &end
#
#   18 ALA  MB           18 ALA  HN          3.50    (#    257:15  Unique         2.34, 2.88 A)
 &rst
  ixpk= 257, nxpk= 15, iat=  -1, 296, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 300, 301, 302,
 &end
#
#  109 LEU  HA          112 PHE  HN          3.50    (#    258:15  Unique         3.12, 3.27 A)
 &rst
  ixpk= 258, nxpk= 15, iat=1610,1658, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  112 PHE  HA          112 PHE  HN          3.50    (#    259:15  Unique         2.79, 2.83 A)
 &rst
  ixpk= 259, nxpk= 15, iat=1660,1658, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  112 PHE  HB+         112 PHE  HN          2.80    (#    260:15  Unique         2.19, 2.98 A)
 &rst
  ixpk= 260, nxpk= 15, iat=  -1,1658, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1662,1663,
 &end
#
#  112 PHE  HB-         112 PHE  HN          3.50    (#    261:15  Unique         2.19, 2.98 A)
 &rst
  ixpk= 261, nxpk= 15, iat=  -1,1658, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1662,1663,
 &end
#
#  111 VAL  HB          112 PHE  HN          2.80    (#    262:15  Unique         2.70, 2.83 A)
 &rst
  ixpk= 262, nxpk= 15, iat=1646,1658, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:263    112 PHE  HN          3.50    (#    263:15  Single Ambig)
 &rst
  ixpk= 263, nxpk= 15, iat=  -1,1658, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1584,1585,1587,1588,
 &end
#
#  111 VAL  MGY         112 PHE  HN          3.50    (#    264:15  Unique         3.61, 4.72 A)
 &rst
  ixpk= 264, nxpk= 15, iat=  -1,1658, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1648,1649,1650,1652,1653,1654,
 &end
#
#  111 VAL  MGX         112 PHE  HN          3.50    (#    265:15  Unique         3.61, 4.72 A)
 &rst
  ixpk= 265, nxpk= 15, iat=  -1,1658, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1648,1649,1650,1652,1653,1654,
 &end
#
#   66 GLU  HA           66 GLU  HN          2.80    (#    266:15  Unique         2.79, 2.82 A)
 &rst
  ixpk= 266, nxpk= 15, iat= 971, 969, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   66 GLU  HG+          66 GLU  HN          2.80    (#    267:15  Unique         1.99, 2.99 A)
 &rst
  ixpk= 267, nxpk= 15, iat=  -1, 969, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 976, 977,
 &end
#
#   66 GLU  HB+          66 GLU  HN          2.80    (#    268:15  Unique         2.16, 2.87 A)
 &rst
  ixpk= 268, nxpk= 15, iat=  -1, 969, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 973, 974,
 &end
#
#   65 ILE  QG2          66 GLU  HN          2.80    (#    269:15  Unique         2.44, 3.03 A)
 &rst
  ixpk= 269, nxpk= 15, iat=  -1, 969, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 956, 957, 958,
 &end
#
#    0 AMB  15-2:270     74 ASP  HN          3.50    (#    270:15  Single Ambig)
 &rst
  ixpk= 270, nxpk= 15, iat=  -1,1087, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1089,  67,
 &end
#
#   73 TYR  HA           74 ASP  HN          2.80    (#    271:15  Unique         2.35, 2.47 A)
 &rst
  ixpk= 271, nxpk= 15, iat=1068,1087, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   74 ASP  HB+          74 ASP  HN          3.50    (#    272:15  Unique         2.34, 3.02 A)
 &rst
  ixpk= 272, nxpk= 15, iat=  -1,1087, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1091,1092,
 &end
#
#   73 TYR  HB+          74 ASP  HN          3.50    (#    273:15  Unique         2.10, 2.88 A)
 &rst
  ixpk= 273, nxpk= 15, iat=  -1,1087, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1070,1071,
 &end
#
#    0 AMB  15-2:274     74 ASP  HN          2.80    (#    274:15  Single Ambig)
 &rst
  ixpk= 274, nxpk= 15, iat=  -1,1087, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1070,1071,1091,1092,
 &end
#
#    3 LYS  HB+          74 ASP  HN          2.80    (#    275:15  Unique         2.35, 3.40 A)
 &rst
  ixpk= 275, nxpk= 15, iat=  -1,1087, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=  47,  48,
 &end
#
#    0 AMB  15-2:276     74 ASP  HN          3.50    (#    276:15  Single Ambig)
 &rst
  ixpk= 276, nxpk= 15, iat=  -1,1087, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=  50,  51,  53,  54,
 &end
#
#   21 PHE  HB-          21 PHE  HN          3.50    (#    277:15  Unique         2.29, 2.98 A)
 &rst
  ixpk= 277, nxpk= 15, iat=  -1, 328, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 332, 333,
 &end
#
#   83 GLY  HA-          84 VAL  HN          3.50    (#    280:15  Unique         2.64, 3.29 A)
 &rst
  ixpk= 280, nxpk= 15, iat=  -1,1216, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1211,1212,
 &end
#
#   84 VAL  HB           84 VAL  HN          2.80    (#    281:15  Unique         2.36, 2.57 A)
 &rst
  ixpk= 281, nxpk= 15, iat=1220,1216, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  105 ASP  HB+         105 ASP  HN          2.80    (#    283:15  Unique         2.27, 2.58 A)
 &rst
  ixpk= 283, nxpk= 15, iat=  -1,1561, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1565,1566,
 &end
#
#   61 THR  HA           62 SER  HN          2.80    (#    284:15  Unique         2.08, 2.39 A)
 &rst
  ixpk= 284, nxpk= 15, iat= 901, 913, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   61 THR  HB           62 SER  HN          3.50    (#    285:15  Unique         1.68, 2.44 A)
 &rst
  ixpk= 285, nxpk= 15, iat= 903, 913, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   61 THR  MG2          62 SER  HN          3.50    (#    286:15  Unique         2.50, 4.05 A)
 &rst
  ixpk= 286, nxpk= 15, iat=  -1, 913, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 905, 906, 907,
 &end
#
#   58 SER  HA           58 SER  HN          2.80    (#    288:15  Unique         2.79, 2.88 A)
 &rst
  ixpk= 288, nxpk= 15, iat= 866, 864, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   58 SER  HB+          58 SER  HN          2.80    (#    289:15  Unique         2.55, 3.13 A)
 &rst
  ixpk= 289, nxpk= 15, iat=  -1, 864, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 868, 869,
 &end
#
#  107 GLN  HG+         107 GLN  HN          2.80    (#    290:15  Unique         2.24, 3.24 A)
 &rst
  ixpk= 290, nxpk= 15, iat=  -1,1580, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1587,1588,
 &end
#
#    0 AMB  15-2:291    107 GLN  HN          2.80    (#    291:15  Single Ambig)
 &rst
  ixpk= 291, nxpk= 15, iat=  -1,1580, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1584,1585,1587,1588,
 &end
#
#    0 AMB  15-2:293     29 LYS  HN          2.80    (#    293:15  Single Ambig)
 &rst
  ixpk= 293, nxpk= 15, iat=  -1, 437, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 432, 433, 422,
 &end
#
#    0 AMB  15-2:294      0 AMB  15-1:294    4.50    (#    294:15  Double Ambig)
 &rst
  ixpk= 294, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1557,1995,1996,
 igr2=1580, 437,
 &end
#
#   98 ASP  HA           78 SER  HN          4.50    (#    295:15  Unique         2.36, 2.63 A)
 &rst
  ixpk= 295, nxpk= 15, iat=1450,1150, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   77 ILE  QG2          78 SER  HN          4.50    (#    296:15  Unique         3.61, 4.34 A)
 &rst
  ixpk= 296, nxpk= 15, iat=  -1,1150, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1137,1138,1139,
 &end
#
#   77 ILE  HA           78 SER  HN          2.80    (#    297:15  Unique         2.16, 2.26 A)
 &rst
  ixpk= 297, nxpk= 15, iat=1133,1150, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   29 LYS  HA           29 LYS  HN          2.80    (#    298:15  Unique         2.95, 2.95 A)
 &rst
  ixpk= 298, nxpk= 15, iat= 439, 437, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   29 LYS  HB-          29 LYS  HN          2.80    (#    299:15  Unique         2.36, 3.03 A)
 &rst
  ixpk= 299, nxpk= 15, iat=  -1, 437, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 441, 442,
 &end
#
#   29 LYS  HG+          29 LYS  HN          2.80    (#    300:15  Unique         2.87, 3.46 A)
 &rst
  ixpk= 300, nxpk= 15, iat=  -1, 437, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 444, 445,
 &end
#
#    0 AMB  15-2:301     67 ASN  HN          3.50    (#    301:15  Single Ambig)
 &rst
  ixpk= 301, nxpk= 15, iat=  -1, 984, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 988, 989, 943, 944,
 &end
#
#  122 ARG  HA          122 ARG  HN          3.50    (#    302:15  Unique         2.89, 2.93 A)
 &rst
  ixpk= 302, nxpk= 15, iat=1835,1833, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  121 GLU  HB-         122 ARG  HN          2.80    (#    303:15  Unique         2.69, 3.34 A)
 &rst
  ixpk= 303, nxpk= 15, iat=  -1,1833, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1822,1823,
 &end
#
#  122 ARG  HG+         122 ARG  HN          3.50    (#    304:15  Unique         2.33, 3.67 A)
 &rst
  ixpk= 304, nxpk= 15, iat=  -1,1833, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1840,1841,
 &end
#
#  122 ARG  HG-         122 ARG  HN          3.50    (#    305:15  Unique         2.33, 3.67 A)
 &rst
  ixpk= 305, nxpk= 15, iat=  -1,1833, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1840,1841,
 &end
#
#  122 ARG  HB+         122 ARG  HN          3.50    (#    306:15  Unique         2.33, 3.05 A)
 &rst
  ixpk= 306, nxpk= 15, iat=  -1,1833, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1837,1838,
 &end
#
#  122 ARG  HB-         122 ARG  HN          3.50    (#    307:15  Unique         2.33, 3.05 A)
 &rst
  ixpk= 307, nxpk= 15, iat=  -1,1833, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1837,1838,
 &end
#
#  125 ASN  HA          125 ASN  HN          2.80    (#    308:15  Unique         2.84, 2.84 A)
 &rst
  ixpk= 308, nxpk= 15, iat=1890,1888, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:309    125 ASN  HN          3.50    (#    309:15  Single Ambig)
 &rst
  ixpk= 309, nxpk= 15, iat=  -1,1888, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1875,1859,
 &end
#
#  125 ASN  HB+         125 ASN  HN          2.80    (#    310:15  Unique         2.24, 2.91 A)
 &rst
  ixpk= 310, nxpk= 15, iat=  -1,1888, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1892,1893,
 &end
#
#  124 GLU  HB+         125 ASN  HN          2.80    (#    311:15  Unique         2.86, 3.47 A)
 &rst
  ixpk= 311, nxpk= 15, iat=  -1,1888, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1877,1878,
 &end
#
#  122 ARG  HA          125 ASN  HN          4.50    (#    312:15  Unique         3.18, 3.34 A)
 &rst
  ixpk= 312, nxpk= 15, iat=1835,1888, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  124 GLU  HB-         125 ASN  HN          2.80    (#    313:15  Unique         2.86, 3.47 A)
 &rst
  ixpk= 313, nxpk= 15, iat=  -1,1888, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1877,1878,
 &end
#
#   19 GLU  HB+          19 GLU  HN          2.80    (#    314:15  Unique         2.29, 2.55 A)
 &rst
  ixpk= 314, nxpk= 15, iat=  -1, 306, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 310, 311,
 &end
#
#   18 ALA  MB           19 GLU  HN          4.50    (#    315:15  Unique         2.64, 3.59 A)
 &rst
  ixpk= 315, nxpk= 15, iat=  -1, 306, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 300, 301, 302,
 &end
#
#    0 AMB  15-2:316     73 TYR  HN          3.50    (#    316:15  Single Ambig)
 &rst
  ixpk= 316, nxpk= 15, iat=  -1,1066, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1056,1044,
 &end
#
#   73 TYR  HA           73 TYR  HN          3.50    (#    317:15  Unique         2.89, 2.91 A)
 &rst
  ixpk= 317, nxpk= 15, iat=1068,1066, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   73 TYR  HB+          73 TYR  HN          3.50    (#    318:15  Unique         2.52, 3.12 A)
 &rst
  ixpk= 318, nxpk= 15, iat=  -1,1066, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1070,1071,
 &end
#
#   73 TYR  HB-          73 TYR  HN          2.80    (#    319:15  Unique         2.52, 3.12 A)
 &rst
  ixpk= 319, nxpk= 15, iat=  -1,1066, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1070,1071,
 &end
#
#   88 PRO  HA           89 GLU  HN          4.50    (#    320:15  Unique         3.41, 3.50 A)
 &rst
  ixpk= 320, nxpk= 15, iat=1289,1293, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   89 GLU  HA           89 GLU  HN          2.80    (#    321:15  Unique         2.81, 2.84 A)
 &rst
  ixpk= 321, nxpk= 15, iat=1295,1293, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   88 PRO  HB+          89 GLU  HN          4.50    (#    322:15  Unique         3.10, 3.83 A)
 &rst
  ixpk= 322, nxpk= 15, iat=  -1,1293, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1286,1287,
 &end
#
#   89 GLU  HG+          89 GLU  HN          2.80    (#    323:15  Unique         1.85, 2.61 A)
 &rst
  ixpk= 323, nxpk= 15, iat=  -1,1293, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1300,1301,
 &end
#
#   88 PRO  HB-          89 GLU  HN          4.50    (#    324:15  Unique         3.10, 3.83 A)
 &rst
  ixpk= 324, nxpk= 15, iat=  -1,1293, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1286,1287,
 &end
#
#   89 GLU  HB+          89 GLU  HN          2.80    (#    325:15  Unique         2.67, 3.18 A)
 &rst
  ixpk= 325, nxpk= 15, iat=  -1,1293, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1297,1298,
 &end
#
#   89 GLU  HB-          89 GLU  HN          3.50    (#    326:15  Unique         2.67, 3.18 A)
 &rst
  ixpk= 326, nxpk= 15, iat=  -1,1293, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1297,1298,
 &end
#
#  126 LEU  HA          127 ILE  HN          3.50    (#    327:15  Unique         3.51, 3.52 A)
 &rst
  ixpk= 327, nxpk= 15, iat=1904,1921, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:328    127 ILE  HN          3.50    (#    328:15  Single Ambig)
 &rst
  ixpk= 328, nxpk= 15, iat=  -1,1921, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1875,1859,
 &end
#
#  127 ILE  HA          127 ILE  HN          3.50    (#    329:15  Unique         2.84, 2.85 A)
 &rst
  ixpk= 329, nxpk= 15, iat=1923,1921, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  126 LEU  HB+         127 ILE  HN          2.80    (#    330:15  Unique         2.92, 3.51 A)
 &rst
  ixpk= 330, nxpk= 15, iat=  -1,1921, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1906,1907,
 &end
#
#  126 LEU  HB-         127 ILE  HN          3.50    (#    331:15  Unique         2.92, 3.51 A)
 &rst
  ixpk= 331, nxpk= 15, iat=  -1,1921, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1906,1907,
 &end
#
#  127 ILE  HB          127 ILE  HN          2.80    (#    332:15  Unique         2.05, 2.08 A)
 &rst
  ixpk= 332, nxpk= 15, iat=1925,1921, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  126 LEU  MDY         127 ILE  HN          3.50    (#    333:15  Unique         2.39, 4.50 A)
 &rst
  ixpk= 333, nxpk= 15, iat=  -1,1921, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1911,1912,1913,1915,1916,1917,
 &end
#
#    0 AMB  15-2:334    127 ILE  HN          2.80    (#    334:15  Single Ambig)
 &rst
  ixpk= 334, nxpk= 15, iat=  -1,1921, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1931,1932,1909,
 &end
#
#    0 AMB  15-2:335    127 ILE  HN          3.50    (#    335:15  Single Ambig)
 &rst
  ixpk= 335, nxpk= 15, iat=  -1,1921, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1927,1928,1929, 465, 466, 467,
 &end
#
#  127 ILE  QD1         127 ILE  HN          3.50    (#    336:15  Unique         3.08, 3.93 A)
 &rst
  ixpk= 336, nxpk= 15, iat=  -1,1921, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1934,1935,1936,
 &end
#
#  110 GLU  HA          113 ARG  HN          4.50    (#    337:15  Unique         3.27, 3.44 A)
 &rst
  ixpk= 337, nxpk= 15, iat=1629,1678, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  113 ARG  HA          113 ARG  HN          3.50    (#    338:15  Unique         2.85, 2.87 A)
 &rst
  ixpk= 338, nxpk= 15, iat=1680,1678, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  112 PHE  HB+         113 ARG  HN          3.50    (#    339:15  Unique         2.57, 2.98 A)
 &rst
  ixpk= 339, nxpk= 15, iat=  -1,1678, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1662,1663,
 &end
#
#    0 AMB  15-2:340    113 ARG  HN          4.50    (#    340:15  Single Ambig)
 &rst
  ixpk= 340, nxpk= 15, iat=  -1,1678, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
 igr1=1631,1632, 755, 756, 757,1584,1585,
 &end
#
#  113 ARG  HB+         113 ARG  HN          2.80    (#    341:15  Unique         2.54, 3.13 A)
 &rst
  ixpk= 341, nxpk= 15, iat=  -1,1678, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1682,1683,
 &end
#
#  113 ARG  HG+         113 ARG  HN          3.50    (#    342:15  Unique         2.04, 2.90 A)
 &rst
  ixpk= 342, nxpk= 15, iat=  -1,1678, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1685,1686,
 &end
#
#    0 AMB  15-2:343     72 ASP  HN          2.80    (#    343:15  Single Ambig)
 &rst
  ixpk= 343, nxpk= 15, iat=  -1,1054, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1056,1044,
 &end
#
#   69 ASN  HB+          72 ASP  HN          3.50    (#    344:15  Unique         3.32, 4.29 A)
 &rst
  ixpk= 344, nxpk= 15, iat=  -1,1054, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1022,1023,
 &end
#
#   72 ASP  HB+          72 ASP  HN          2.80    (#    345:15  Unique         2.44, 2.52 A)
 &rst
  ixpk= 345, nxpk= 15, iat=  -1,1054, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1058,1059,
 &end
#
#   71 ASP  HB+          72 ASP  HN          4.50    (#    346:15  Unique         2.88, 3.63 A)
 &rst
  ixpk= 346, nxpk= 15, iat=  -1,1054, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1046,1047,
 &end
#
#   47 ILE  HB           47 ILE  HN          2.80    (#    347:15  Unique         2.21, 2.28 A)
 &rst
  ixpk= 347, nxpk= 15, iat= 702, 698, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   71 ASP  HB-          72 ASP  HN          3.50    (#    348:15  Unique         2.88, 3.63 A)
 &rst
  ixpk= 348, nxpk= 15, iat=  -1,1054, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1046,1047,
 &end
#
#   72 ASP  HB-          72 ASP  HN          2.80    (#    349:15  Unique         2.44, 2.52 A)
 &rst
  ixpk= 349, nxpk= 15, iat=  -1,1054, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1058,1059,
 &end
#
#   81 GLY  HA-          82 CYS  HN          2.80    (#    353:15  Unique         2.84, 3.25 A)
 &rst
  ixpk= 353, nxpk= 15, iat=  -1,1198, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1193,1194,
 &end
#
#   82 CYS  HB+          82 CYS  HN          2.80    (#    354:15  Unique         2.26, 3.15 A)
 &rst
  ixpk= 354, nxpk= 15, iat=  -1,1198, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1202,1203,
 &end
#
#   90 TRP  HA           90 TRP  HN          2.80    (#    355:15  Unique         2.85, 2.88 A)
 &rst
  ixpk= 355, nxpk= 15, iat=1310,1308, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   90 TRP  HB+          90 TRP  HN          2.80    (#    357:15  Unique         2.30, 2.93 A)
 &rst
  ixpk= 357, nxpk= 15, iat=  -1,1308, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1312,1313,
 &end
#
#   90 TRP  HB-          90 TRP  HN          2.80    (#    358:15  Unique         2.30, 2.93 A)
 &rst
  ixpk= 358, nxpk= 15, iat=  -1,1308, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1312,1313,
 &end
#
#   89 GLU  HG+          90 TRP  HN          3.50    (#    359:15  Unique         2.73, 4.16 A)
 &rst
  ixpk= 359, nxpk= 15, iat=  -1,1308, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1300,1301,
 &end
#
#   89 GLU  HB+          90 TRP  HN          3.50    (#    360:15  Unique         2.39, 3.39 A)
 &rst
  ixpk= 360, nxpk= 15, iat=  -1,1308, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1297,1298,
 &end
#
#  108 SER  HB+         110 GLU  HN          2.80    (#    361:15  Unique         2.70, 3.34 A)
 &rst
  ixpk= 361, nxpk= 15, iat=  -1,1627, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1601,1602,
 &end
#
#    0 AMB  15-2:362    110 GLU  HN          2.80    (#    362:15  Single Ambig)
 &rst
  ixpk= 362, nxpk= 15, iat=  -1,1627, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1601,1602,1629,
 &end
#
#  110 GLU  HG+         110 GLU  HN          3.50    (#    363:15  Unique         1.81, 2.32 A)
 &rst
  ixpk= 363, nxpk= 15, iat=  -1,1627, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1634,1635,
 &end
#
#    0 AMB  15-2:365    110 GLU  HN          2.80    (#    365:15  Single Ambig)
 &rst
  ixpk= 365, nxpk= 15, iat=  -1,1627, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1612,1613,1615,
 &end
#
#  109 LEU  HB-         110 GLU  HN          4.50    (#    366:15  Unique         2.76, 3.32 A)
 &rst
  ixpk= 366, nxpk= 15, iat=  -1,1627, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1612,1613,
 &end
#
#   91 VAL  MGY          90 TRP  HN          5.50    (#    367:15  Unique         3.23, 4.99 A)
 &rst
  ixpk= 367, nxpk= 15, iat=  -1,1308, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1338,1339,1340,1342,1343,1344,
 &end
#
#   70 ALA  MB           90 TRP  HN          4.50    (#    368:15  Unique         3.35, 4.30 A)
 &rst
  ixpk= 368, nxpk= 15, iat=  -1,1308, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1036,1037,1038,
 &end
#
#   49 MET  HA           52 GLU  HN          4.50    (#    369:15  Unique         3.36, 3.51 A)
 &rst
  ixpk= 369, nxpk= 15, iat= 729, 776, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   48 ALA  HA           52 GLU  HN          4.50    (#    370:15  Unique         3.91, 4.06 A)
 &rst
  ixpk= 370, nxpk= 15, iat= 719, 776, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   51 GLU  HA           52 GLU  HN          3.50    (#    371:15  Unique         3.53, 3.55 A)
 &rst
  ixpk= 371, nxpk= 15, iat= 763, 776, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   52 GLU  HG+          52 GLU  HN          2.80    (#    372:15  Unique         2.49, 3.01 A)
 &rst
  ixpk= 372, nxpk= 15, iat=  -1, 776, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 783, 784,
 &end
#
#    0 AMB  15-2:373     52 GLU  HN          3.50    (#    373:15  Single Ambig)
 &rst
  ixpk= 373, nxpk= 15, iat=  -1, 776, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 783, 784, 765, 766,
 &end
#
#    0 AMB  15-2:374     52 GLU  HN          2.80    (#    374:15  Single Ambig)
 &rst
  ixpk= 374, nxpk= 15, iat=  -1, 776, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 765, 766, 768, 769,
 &end
#
#    0 AMB  15-2:375     23 LYS  HN          2.80    (#    375:15  Single Ambig)
 &rst
  ixpk= 375, nxpk= 15, iat=  -1, 358, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 360, 384,
 &end
#
#   22 ALA  HA           23 LYS  HN          4.50    (#    376:15  Unique         3.61, 3.65 A)
 &rst
  ixpk= 376, nxpk= 15, iat= 350, 358, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   23 LYS  HB+          23 LYS  HN          2.80    (#    377:15  Unique         2.37, 3.06 A)
 &rst
  ixpk= 377, nxpk= 15, iat=  -1, 358, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 362, 363,
 &end
#
#   23 LYS  HB-          23 LYS  HN          2.80    (#    378:15  Unique         2.37, 3.06 A)
 &rst
  ixpk= 378, nxpk= 15, iat=  -1, 358, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 362, 363,
 &end
#
#   22 ALA  MB           23 LYS  HN          2.80    (#    379:15  Unique         2.71, 3.59 A)
 &rst
  ixpk= 379, nxpk= 15, iat=  -1, 358, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 352, 353, 354,
 &end
#
#   23 LYS  HG-          23 LYS  HN          3.50    (#    380:15  Unique         2.29, 3.08 A)
 &rst
  ixpk= 380, nxpk= 15, iat=  -1, 358, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 365, 366,
 &end
#
#   32 VAL  MGX          23 LYS  HN          4.50    (#    381:15  Unique         2.52, 4.09 A)
 &rst
  ixpk= 381, nxpk= 15, iat=  -1, 358, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 494, 495, 496, 498, 499, 500,
 &end
#
#   32 VAL  MGY          23 LYS  HN          3.50    (#    382:15  Unique         2.52, 4.09 A)
 &rst
  ixpk= 382, nxpk= 15, iat=  -1, 358, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 494, 495, 496, 498, 499, 500,
 &end
#
#   33 THR  HA           34 SER  HN          2.80    (#    384:15  Unique         2.33, 2.41 A)
 &rst
  ixpk= 384, nxpk= 15, iat= 506, 518, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:385     34 SER  HN          3.50    (#    385:15  Single Ambig)
 &rst
  ixpk= 385, nxpk= 15, iat=  -1, 518, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 522, 523, 508,
 &end
#
#   33 THR  MG2          34 SER  HN          2.80    (#    386:15  Unique         2.19, 3.20 A)
 &rst
  ixpk= 386, nxpk= 15, iat=  -1, 518, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 510, 511, 512,
 &end
#
#  129 LYS  HA          129 LYS  HN          2.80    (#    387:15  Unique         2.86, 2.87 A)
 &rst
  ixpk= 387, nxpk= 15, iat=1952,1950, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  128 ALA  HA          129 LYS  HN          3.50    (#    388:15  Unique         3.52, 3.53 A)
 &rst
  ixpk= 388, nxpk= 15, iat=1942,1950, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  129 LYS  HB+         129 LYS  HN          2.80    (#    389:15  Unique         2.46, 3.06 A)
 &rst
  ixpk= 389, nxpk= 15, iat=  -1,1950, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1954,1955,
 &end
#
#  129 LYS  HD+         129 LYS  HN          4.50    (#    390:15  Unique         3.72, 4.21 A)
 &rst
  ixpk= 390, nxpk= 15, iat=  -1,1950, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1960,1961,
 &end
#
#    0 AMB  15-2:391    129 LYS  HN          2.80    (#    391:15  Single Ambig)
 &rst
  ixpk= 391, nxpk= 15, iat=  -1,1950, r1= 0.00, r2= 1.80, r3= 3.66, r4= 4.41,
 igr1=1944,1945,1946,1982,1983,
 &end
#
#    0 AMB  15-2:392    129 LYS  HN          4.50    (#    392:15  Single Ambig)
 &rst
  ixpk= 392, nxpk= 15, iat=  -1,1950, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1=1978,1979,1980,1407,1408,1409,1927,1928,1929,
 &end
#
#   49 MET  HA           49 MET  HN          3.50    (#    393:15  Unique         2.82, 2.84 A)
 &rst
  ixpk= 393, nxpk= 15, iat= 729, 727, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   49 MET  HG+          49 MET  HN          2.80    (#    394:15  Unique         2.31, 3.02 A)
 &rst
  ixpk= 394, nxpk= 15, iat=  -1, 727, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 734, 735,
 &end
#
#   49 MET  HB+          49 MET  HN          2.80    (#    395:15  Unique         2.27, 2.96 A)
 &rst
  ixpk= 395, nxpk= 15, iat=  -1, 727, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 731, 732,
 &end
#
#   49 MET  HB-          49 MET  HN          4.50    (#    396:15  Unique         2.27, 2.96 A)
 &rst
  ixpk= 396, nxpk= 15, iat=  -1, 727, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 731, 732,
 &end
#
#   48 ALA  MB           49 MET  HN          2.80    (#    397:15  Unique         2.41, 3.37 A)
 &rst
  ixpk= 397, nxpk= 15, iat=  -1, 727, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 721, 722, 723,
 &end
#
#  121 GLU  HA          121 GLU  HN          2.80    (#    398:15  Unique         2.83, 2.86 A)
 &rst
  ixpk= 398, nxpk= 15, iat=1820,1818, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  120 LYS  HA          121 GLU  HN          4.50    (#    399:15  Unique         3.52, 3.55 A)
 &rst
  ixpk= 399, nxpk= 15, iat=1798,1818, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  121 GLU  HG-         121 GLU  HN          3.50    (#    400:15  Unique         2.04, 2.82 A)
 &rst
  ixpk= 400, nxpk= 15, iat=  -1,1818, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1825,1826,
 &end
#
#  121 GLU  HB+         121 GLU  HN          2.80    (#    401:15  Unique         1.94, 3.08 A)
 &rst
  ixpk= 401, nxpk= 15, iat=  -1,1818, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1822,1823,
 &end
#
#  120 LYS  HB+         121 GLU  HN          5.50    (#    402:15  Unique         2.20, 3.01 A)
 &rst
  ixpk= 402, nxpk= 15, iat=  -1,1818, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1800,1801,
 &end
#
#  120 LYS  HG+         121 GLU  HN          4.50    (#    403:15  Unique         2.91, 4.20 A)
 &rst
  ixpk= 403, nxpk= 15, iat=  -1,1818, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1803,1804,
 &end
#
#  120 LYS  HB-         121 GLU  HN          3.50    (#    404:15  Unique         2.20, 3.01 A)
 &rst
  ixpk= 404, nxpk= 15, iat=  -1,1818, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1800,1801,
 &end
#
#  121 GLU  HG+         121 GLU  HN          3.50    (#    405:15  Unique         2.04, 2.82 A)
 &rst
  ixpk= 405, nxpk= 15, iat=  -1,1818, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1825,1826,
 &end
#
#    0 AMB  15-2:406     75 VAL  HN          2.80    (#    406:15  Single Ambig)
 &rst
  ixpk= 406, nxpk= 15, iat=  -1,1099, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=  67,1089,
 &end
#
#   75 VAL  HA           75 VAL  HN          3.50    (#    407:15  Unique         2.92, 2.97 A)
 &rst
  ixpk= 407, nxpk= 15, iat=1101,1099, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   74 ASP  HB+          75 VAL  HN          3.50    (#    408:15  Unique         2.87, 3.52 A)
 &rst
  ixpk= 408, nxpk= 15, iat=  -1,1099, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1091,1092,
 &end
#
#   73 TYR  HB+          75 VAL  HN          3.50    (#    409:15  Unique         2.41, 3.00 A)
 &rst
  ixpk= 409, nxpk= 15, iat=  -1,1099, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1070,1071,
 &end
#
#    0 AMB  15-2:410     75 VAL  HN          2.80    (#    410:15  Single Ambig)
 &rst
  ixpk= 410, nxpk= 15, iat=  -1,1099, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1070,1071,1091,1092,
 &end
#
#   75 VAL  HB           75 VAL  HN          2.80    (#    411:15  Unique         2.55, 2.62 A)
 &rst
  ixpk= 411, nxpk= 15, iat=1103,1099, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:412     75 VAL  HN          4.50    (#    412:15  Single Ambig)
 &rst
  ixpk= 412, nxpk= 15, iat=  -1,1099, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=  47,  48,1398,  69,
 &end
#
#   75 VAL  MGX          75 VAL  HN          4.50    (#    413:15  Unique         3.15, 4.29 A)
 &rst
  ixpk= 413, nxpk= 15, iat=  -1,1099, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1105,1106,1107,1109,1110,1111,
 &end
#
#    0 AMB  15-2:414     75 VAL  HN          3.50    (#    414:15  Single Ambig)
 &rst
  ixpk= 414, nxpk= 15, iat=  -1,1099, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1105,1106,1107,1109,1110,1111,  71,  72,  73,  75,
        76,  77,
 &end
#
#   73 TYR  HA           75 VAL  HN          4.50    (#    415:15  Unique         4.03, 4.25 A)
 &rst
  ixpk= 415, nxpk= 15, iat=1068,1099, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   34 SER  HA           35 CYS  HN          3.50    (#    416:15  Unique         2.15, 2.33 A)
 &rst
  ixpk= 416, nxpk= 15, iat= 520, 529, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  106 GLY  HA-         106 GLY  HN          3.50    (#    418:15  Unique         2.25, 2.52 A)
 &rst
  ixpk= 418, nxpk= 15, iat=  -1,1573, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1575,1576,
 &end
#
#    0 AMB  15-2:419    106 GLY  HN          2.80    (#    419:15  Single Ambig)
 &rst
  ixpk= 419, nxpk= 15, iat=  -1,1573, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1563,1575,1576,
 &end
#
#   40 SER  HA           40 SER  HN          4.50    (#    420:15  Unique         2.17, 2.51 A)
 &rst
  ixpk= 420, nxpk= 15, iat= 594, 592, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  107 GLN  HG+         107 GLN  HE2+        3.50    (#    421:15  Unique         2.16, 3.14 A)
 &rst
  ixpk= 421, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1587,1588,
 igr2=1592,1593,
 &end
#
#    0 AMB  15-2:422      0 AMB  15-1:422    3.50    (#    422:15  Double Ambig)
 &rst
  ixpk= 422, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1=1584,1585,1587,1588,
 igr2=1592,1593,1592,1593,
 &end
#
#  107 GLN  HG+         107 GLN  HE2-        4.50    (#    424:15  Unique         2.16, 3.14 A)
 &rst
  ixpk= 424, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1587,1588,
 igr2=1592,1593,
 &end
#
#    0 AMB  15-2:425    107 GLN  HE2-        3.50    (#    425:15  Single Ambig)
 &rst
  ixpk= 425, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1584,1585,1587,1588,
 igr2=1592,1593,
 &end
#
#  111 VAL  MGX         107 GLN  HE2-        4.50    (#    426:15  Unique         2.20, 3.96 A)
 &rst
  ixpk= 426, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1648,1649,1650,1652,1653,1654,
 igr2=1592,1593,
 &end
#
#  108 SER  HA          108 SER  HN          2.80    (#    428:15  Unique         2.88, 2.90 A)
 &rst
  ixpk= 428, nxpk= 15, iat=1599,1597, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  108 SER  HB-         108 SER  HN          2.80    (#    429:15  Unique         2.45, 3.09 A)
 &rst
  ixpk= 429, nxpk= 15, iat=  -1,1597, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1601,1602,
 &end
#
#  107 GLN  HB+         108 SER  HN          2.80    (#    430:15  Unique         1.85, 2.92 A)
 &rst
  ixpk= 430, nxpk= 15, iat=  -1,1597, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1584,1585,
 &end
#
#  111 VAL  MGY         108 SER  HN          3.50    (#    431:15  Unique         3.13, 4.98 A)
 &rst
  ixpk= 431, nxpk= 15, iat=  -1,1597, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1648,1649,1650,1652,1653,1654,
 &end
#
#  111 VAL  MGX         108 SER  HN          4.50    (#    432:15  Unique         3.13, 4.98 A)
 &rst
  ixpk= 432, nxpk= 15, iat=  -1,1597, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1648,1649,1650,1652,1653,1654,
 &end
#
#   75 VAL  HA           95 ILE  HN          2.80    (#    433:15  Unique         2.35, 2.40 A)
 &rst
  ixpk= 433, nxpk= 15, iat=1101,1394, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   95 ILE  HA           95 ILE  HN          3.50    (#    434:15  Unique         2.99, 3.00 A)
 &rst
  ixpk= 434, nxpk= 15, iat=1396,1394, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   74 ASP  HB-          95 ILE  HN          4.50    (#    435:15  Unique         4.38, 5.02 A)
 &rst
  ixpk= 435, nxpk= 15, iat=  -1,1394, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1091,1092,
 &end
#
#    0 AMB  15-2:436     95 ILE  HN          3.50    (#    436:15  Single Ambig)
 &rst
  ixpk= 436, nxpk= 15, iat=  -1,1394, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1383,1384,1386,1387,
 &end
#
#   95 ILE  HB           95 ILE  HN          2.80    (#    437:15  Unique         2.61, 2.70 A)
 &rst
  ixpk= 437, nxpk= 15, iat=1398,1394, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   95 ILE  HG1-         95 ILE  HN          3.50    (#    438:15  Unique         3.10, 3.75 A)
 &rst
  ixpk= 438, nxpk= 15, iat=  -1,1394, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1404,1405,
 &end
#
#   95 ILE  HG1+         95 ILE  HN          4.50    (#    439:15  Unique         3.10, 3.75 A)
 &rst
  ixpk= 439, nxpk= 15, iat=  -1,1394, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1404,1405,
 &end
#
#   75 VAL  MGX          95 ILE  HN          3.50    (#    440:15  Unique         2.13, 3.94 A)
 &rst
  ixpk= 440, nxpk= 15, iat=  -1,1394, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1105,1106,1107,1109,1110,1111,
 &end
#
#    0 AMB  15-2:442      0 AMB  15-1:442    2.80    (#    442:15  Double Ambig)
 &rst
  ixpk= 442, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 384,1044,
 igr2= 380,1374,1375,
 &end
#
#    0 AMB  15-2:443     24 THR  HN          3.50    (#    443:15  Single Ambig)
 &rst
  ixpk= 443, nxpk= 15, iat=  -1, 380, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 386, 387, 388,1863,1864,1865,1867,1868,1869,
 &end
#
#   93 GLN  HG-          93 GLN  HE2+        2.80    (#    444:15  Unique         2.21, 3.27 A)
 &rst
  ixpk= 444, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1369,1370,
 igr2=1374,1375,
 &end
#
#   69 ASN  HB+          69 ASN  HD2+        3.50    (#    445:15  Unique         2.13, 3.43 A)
 &rst
  ixpk= 445, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1022,1023,
 igr2=1027,1028,
 &end
#
#   69 ASN  HB-          69 ASN  HD2+        3.50    (#    446:15  Unique         2.13, 3.43 A)
 &rst
  ixpk= 446, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1022,1023,
 igr2=1027,1028,
 &end
#
#   70 ALA  MB           93 GLN  HE2+        3.50    (#    447:15  Unique         2.89, 4.14 A)
 &rst
  ixpk= 447, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1036,1037,1038,
 igr2=1374,1375,
 &end
#
#   69 ASN  HB+          69 ASN  HD2-        4.50    (#    449:15  Unique         2.13, 3.43 A)
 &rst
  ixpk= 449, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1022,1023,
 igr2=1027,1028,
 &end
#
#    0 AMB  15-2:450     69 ASN  HD2-        4.50    (#    450:15  Single Ambig)
 &rst
  ixpk= 450, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1058,1059,1022,1023,
 igr2=1027,1028,
 &end
#
#   71 ASP  HB-          69 ASN  HD2-        4.50    (#    451:15  Unique         2.24, 5.21 A)
 &rst
  ixpk= 451, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1046,1047,
 igr2=1027,1028,
 &end
#
#   71 ASP  HA           93 GLN  HE2-        3.50    (#    452:15  Unique         2.19, 2.56 A)
 &rst
  ixpk= 452, nxpk= 15, iat=1044,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1374,1375,
 &end
#
#   93 GLN  HG+          93 GLN  HE2-        3.50    (#    453:15  Unique         2.21, 3.27 A)
 &rst
  ixpk= 453, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1369,1370,
 igr2=1374,1375,
 &end
#
#   93 GLN  HG-          93 GLN  HE2-        3.50    (#    454:15  Unique         2.21, 3.27 A)
 &rst
  ixpk= 454, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1369,1370,
 igr2=1374,1375,
 &end
#
#   70 ALA  MB           93 GLN  HE2-        3.50    (#    455:15  Unique         2.89, 4.14 A)
 &rst
  ixpk= 455, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1036,1037,1038,
 igr2=1374,1375,
 &end
#
#   85 ASN  HB-          85 ASN  HD2-        3.50    (#    456:15  Unique         2.30, 3.41 A)
 &rst
  ixpk= 456, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1236,1237,
 igr2=1241,1242,
 &end
#
#   85 ASN  HB-          85 ASN  HD2+        4.50    (#    457:15  Unique         2.30, 3.41 A)
 &rst
  ixpk= 457, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1236,1237,
 igr2=1241,1242,
 &end
#
#   82 CYS  HA           83 GLY  HN          3.50    (#    459:15  Unique         2.40, 3.03 A)
 &rst
  ixpk= 459, nxpk= 15, iat=1200,1209, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   83 GLY  HA-          83 GLY  HN          3.50    (#    460:15  Unique         2.29, 2.72 A)
 &rst
  ixpk= 460, nxpk= 15, iat=  -1,1209, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1211,1212,
 &end
#
#  122 ARG  HA          125 ASN  HD2+        4.50    (#    461:15  Unique         3.00, 4.06 A)
 &rst
  ixpk= 461, nxpk= 15, iat=1835,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1897,1898,
 &end
#
#  125 ASN  HB+         125 ASN  HD2+        2.80    (#    462:15  Unique         2.43, 3.45 A)
 &rst
  ixpk= 462, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1892,1893,
 igr2=1897,1898,
 &end
#
#  125 ASN  HB+         125 ASN  HD2-        3.50    (#    463:15  Unique         2.43, 3.45 A)
 &rst
  ixpk= 463, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1892,1893,
 igr2=1897,1898,
 &end
#
#    0 AMB  15-2:464    125 ASN  HD2-        4.50    (#    464:15  Single Ambig)
 &rst
  ixpk= 464, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1825,1826,1880,1881,
 igr2=1897,1898,
 &end
#
#  100 GLN  HG+         100 GLN  HE2+        3.50    (#    465:15  Unique         2.22, 3.42 A)
 &rst
  ixpk= 465, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1491,1492,
 igr2=1496,1497,
 &end
#
#    0 AMB  15-2:466      0 AMB  15-1:466    3.50    (#    466:15  Double Ambig)
 &rst
  ixpk= 466, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1=1491,1492,1165,1166,
 igr2=1496,1497,1496,1497,
 &end
#
#   38 GLU  HA           39 SER  HN          3.50    (#    467:15  Unique         2.06, 2.92 A)
 &rst
  ixpk= 467, nxpk= 15, iat= 568, 581, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   38 GLU  HG+          39 SER  HN          4.50    (#    468:15  Unique         1.86, 4.34 A)
 &rst
  ixpk= 468, nxpk= 15, iat=  -1, 581, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 573, 574,
 &end
#
#   27 ALA  HA           28 GLY  HN          2.80    (#    469:15  Unique         2.13, 2.15 A)
 &rst
  ixpk= 469, nxpk= 15, iat= 422, 430, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   28 GLY  HA-          28 GLY  HN          3.50    (#    470:15  Unique         2.30, 2.60 A)
 &rst
  ixpk= 470, nxpk= 15, iat=  -1, 430, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 432, 433,
 &end
#
#   27 ALA  MB           28 GLY  HN          4.50    (#    471:15  Unique         3.35, 4.01 A)
 &rst
  ixpk= 471, nxpk= 15, iat=  -1, 430, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 424, 425, 426,
 &end
#
#  130 ILE  HA          130 ILE  HN          2.80    (#    472:15  Unique         2.87, 2.89 A)
 &rst
  ixpk= 472, nxpk= 15, iat=1974,1972, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:473    130 ILE  HN          3.50    (#    473:15  Single Ambig)
 &rst
  ixpk= 473, nxpk= 15, iat=  -1,1972, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1952,1993,
 &end
#
#  127 ILE  HA          130 ILE  HN          3.50    (#    474:15  Unique         3.27, 3.45 A)
 &rst
  ixpk= 474, nxpk= 15, iat=1923,1972, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  130 ILE  HB          130 ILE  HN          3.50    (#    475:15  Unique         3.47, 3.50 A)
 &rst
  ixpk= 475, nxpk= 15, iat=1976,1972, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  130 ILE  HG1+        130 ILE  HN          2.80    (#    476:15  Unique         1.88, 2.22 A)
 &rst
  ixpk= 476, nxpk= 15, iat=  -1,1972, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1982,1983,
 &end
#
#  130 ILE  HG1-        130 ILE  HN          2.80    (#    477:15  Unique         1.88, 2.22 A)
 &rst
  ixpk= 477, nxpk= 15, iat=  -1,1972, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1982,1983,
 &end
#
#    0 AMB  15-2:478    130 ILE  HN          2.80    (#    478:15  Single Ambig)
 &rst
  ixpk= 478, nxpk= 15, iat=  -1,1972, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1978,1979,1980,1407,1408,1409,
 &end
#
#    0 AMB  15-2:479    130 ILE  HN          3.50    (#    479:15  Single Ambig)
 &rst
  ixpk= 479, nxpk= 15, iat=  -1,1972, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1985,1986,1987,1105,1106,1107,1109,1110,1111,
 &end
#
#   59 GLY  HA+          59 GLY  HN          3.50    (#    480:15  Unique         2.25, 2.58 A)
 &rst
  ixpk= 480, nxpk= 15, iat=  -1, 875, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 877, 878,
 &end
#
#   59 GLY  HA-          59 GLY  HN          3.50    (#    481:15  Unique         2.25, 2.58 A)
 &rst
  ixpk= 481, nxpk= 15, iat=  -1, 875, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 877, 878,
 &end
#
#   29 LYS  HB-          30 ILE  HN          3.50    (#    482:15  Unique         2.43, 3.13 A)
 &rst
  ixpk= 482, nxpk= 15, iat=  -1, 459, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 441, 442,
 &end
#
#    0 AMB  15-2:483     30 ILE  HN          4.50    (#    483:15  Single Ambig)
 &rst
  ixpk= 483, nxpk= 15, iat=  -1, 459, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=  15,  16,  17, 482, 483, 484,
 &end
#
#   30 ILE  HG1-         30 ILE  HN          3.50    (#    484:15  Unique         2.43, 2.85 A)
 &rst
  ixpk= 484, nxpk= 15, iat=  -1, 459, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 469, 470,
 &end
#
#    0 AMB  15-2:485     92 THR  HN          2.80    (#    485:15  Single Ambig)
 &rst
  ixpk= 485, nxpk= 15, iat=  -1,1348, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1350,1352,
 &end
#
#    0 AMB  15-2:486     92 THR  HN          3.50    (#    486:15  Single Ambig)
 &rst
  ixpk= 486, nxpk= 15, iat=  -1,1348, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1334,1044,
 &end
#
#   92 THR  MG2          92 THR  HN          2.80    (#    487:15  Unique         1.89, 3.15 A)
 &rst
  ixpk= 487, nxpk= 15, iat=  -1,1348, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1354,1355,1356,
 &end
#
#   91 VAL  MGX          92 THR  HN          3.50    (#    488:15  Unique         2.66, 4.70 A)
 &rst
  ixpk= 488, nxpk= 15, iat=  -1,1348, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1338,1339,1340,1342,1343,1344,
 &end
#
#    0 AMB  15-2:490      0 AMB  15-1:490    3.50    (#    490:15  Double Ambig)
 &rst
  ixpk= 490, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 988, 989, 943, 944,
 igr2= 993, 994, 993, 994,
 &end
#
#   64 PRO  HD+          67 ASN  HD2-        3.50    (#    491:15  Unique         2.25, 4.31 A)
 &rst
  ixpk= 491, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 937, 938,
 igr2= 993, 994,
 &end
#
#    0 AMB  15-2:492     67 ASN  HD2-        3.50    (#    492:15  Single Ambig)
 &rst
  ixpk= 492, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 988, 989, 943, 944,
 igr2= 993, 994,
 &end
#
#   64 PRO  HB-          67 ASN  HD2-        4.50    (#    493:15  Unique         3.51, 5.39 A)
 &rst
  ixpk= 493, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 943, 944,
 igr2= 993, 994,
 &end
#
#   60 GLN  HB+          61 THR  HN          2.80    (#    495:15  Unique         1.94, 3.23 A)
 &rst
  ixpk= 495, nxpk= 15, iat=  -1, 899, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 886, 887,
 &end
#
#   61 THR  MG2          61 THR  HN          3.50    (#    496:15  Unique         2.03, 3.81 A)
 &rst
  ixpk= 496, nxpk= 15, iat=  -1, 899, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 905, 906, 907,
 &end
#
#   69 ASN  HA           71 ASP  HN          4.50    (#    497:15  Unique         3.36, 3.48 A)
 &rst
  ixpk= 497, nxpk= 15, iat=1020,1042, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   71 ASP  HA           71 ASP  HN          2.80    (#    498:15  Unique         2.80, 2.81 A)
 &rst
  ixpk= 498, nxpk= 15, iat=1044,1042, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   69 ASN  HB+          71 ASP  HN          4.50    (#    499:15  Unique         3.48, 4.49 A)
 &rst
  ixpk= 499, nxpk= 15, iat=  -1,1042, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1022,1023,
 &end
#
#    0 AMB  15-2:500     71 ASP  HN          4.50    (#    500:15  Single Ambig)
 &rst
  ixpk= 500, nxpk= 15, iat=  -1,1042, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1022,1023,1058,1059,
 &end
#
#   71 ASP  HB+          71 ASP  HN          2.80    (#    501:15  Unique         2.05, 2.50 A)
 &rst
  ixpk= 501, nxpk= 15, iat=  -1,1042, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1046,1047,
 &end
#
#   71 ASP  HB-          71 ASP  HN          2.80    (#    502:15  Unique         2.05, 2.50 A)
 &rst
  ixpk= 502, nxpk= 15, iat=  -1,1042, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1046,1047,
 &end
#
#   70 ALA  HA           71 ASP  HN          4.50    (#    503:15  Unique         3.46, 3.50 A)
 &rst
  ixpk= 503, nxpk= 15, iat=1034,1042, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   70 ALA  MB           71 ASP  HN          2.80    (#    504:15  Unique         2.95, 3.63 A)
 &rst
  ixpk= 504, nxpk= 15, iat=  -1,1042, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1036,1037,1038,
 &end
#
#   54 GLY  HA+          54 GLY  HN          2.80    (#    506:15  Unique         2.25, 2.56 A)
 &rst
  ixpk= 506, nxpk= 15, iat=  -1, 807, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 809, 810,
 &end
#
#   54 GLY  HA-          54 GLY  HN          2.80    (#    507:15  Unique         2.25, 2.56 A)
 &rst
  ixpk= 507, nxpk= 15, iat=  -1, 807, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 809, 810,
 &end
#
#    0 AMB  15-2:508     54 GLY  HN          3.50    (#    508:15  Single Ambig)
 &rst
  ixpk= 508, nxpk= 15, iat=  -1, 807, r1= 0.00, r2= 1.80, r3= 4.84, r4= 5.59,
 igr1= 797, 798, 799, 801, 802, 803, 818,
 &end
#
#   91 VAL  HA           91 VAL  HN          2.80    (#    509:15  Unique         2.90, 2.93 A)
 &rst
  ixpk= 509, nxpk= 15, iat=1334,1332, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   91 VAL  MGX          91 VAL  HN          3.50    (#    510:15  Unique         1.98, 3.34 A)
 &rst
  ixpk= 510, nxpk= 15, iat=  -1,1332, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1338,1339,1340,1342,1343,1344,
 &end
#
#   91 VAL  MGY          91 VAL  HN          3.50    (#    511:15  Unique         1.98, 3.34 A)
 &rst
  ixpk= 511, nxpk= 15, iat=  -1,1332, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1338,1339,1340,1342,1343,1344,
 &end
#
#  118 GLN  HG+         118 GLN  HE2+        3.50    (#    513:15  Unique         2.21, 3.23 A)
 &rst
  ixpk= 513, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1770,1771,
 igr2=1775,1776,
 &end
#
#  118 GLN  HG-         118 GLN  HE2+        2.80    (#    514:15  Unique         2.21, 3.23 A)
 &rst
  ixpk= 514, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1770,1771,
 igr2=1775,1776,
 &end
#
#   81 GLY  HA-          81 GLY  HN          3.50    (#    516:15  Unique         2.24, 2.60 A)
 &rst
  ixpk= 516, nxpk= 15, iat=  -1,1191, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1193,1194,
 &end
#
#   52 GLU  HA           53 VAL  HN          3.50    (#    517:15  Unique         3.20, 3.45 A)
 &rst
  ixpk= 517, nxpk= 15, iat= 778, 791, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   51 GLU  HA           53 VAL  HN          3.50    (#    518:15  Unique         3.43, 3.54 A)
 &rst
  ixpk= 518, nxpk= 15, iat= 763, 791, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   53 VAL  HB           53 VAL  HN          3.50    (#    519:15  Unique         2.37, 3.44 A)
 &rst
  ixpk= 519, nxpk= 15, iat= 795, 791, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:520     53 VAL  HN          4.50    (#    520:15  Single Ambig)
 &rst
  ixpk= 520, nxpk= 15, iat=  -1, 791, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 765, 766, 768, 769, 751, 752,
 &end
#
#   53 VAL  MGX          53 VAL  HN          2.80    (#    521:15  Unique         2.19, 3.68 A)
 &rst
  ixpk= 521, nxpk= 15, iat=  -1, 791, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 797, 798, 799, 801, 802, 803,
 &end
#
#   26 GLY  HA-          26 GLY  HN          2.80    (#    523:15  Unique         2.24, 2.60 A)
 &rst
  ixpk= 523, nxpk= 15, iat=  -1, 413, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 415, 416,
 &end
#
#   25 LEU  HB+          26 GLY  HN          2.80    (#    524:15  Unique         2.55, 3.15 A)
 &rst
  ixpk= 524, nxpk= 15, iat=  -1, 413, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 398, 399,
 &end
#
#   26 GLY  HA+          26 GLY  HN          2.80    (#    525:15  Unique         2.24, 2.60 A)
 &rst
  ixpk= 525, nxpk= 15, iat=  -1, 413, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 415, 416,
 &end
#
#  127 ILE  QD1          26 GLY  HN          3.50    (#    526:15  Unique         2.46, 3.69 A)
 &rst
  ixpk= 526, nxpk= 15, iat=  -1, 413, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1934,1935,1936,
 &end
#
#   20 GLY  HA-          20 GLY  HN          2.80    (#    527:15  Unique         2.25, 2.57 A)
 &rst
  ixpk= 527, nxpk= 15, iat=  -1, 321, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 323, 324,
 &end
#
#   20 GLY  HA+          20 GLY  HN          2.80    (#    528:15  Unique         2.25, 2.57 A)
 &rst
  ixpk= 528, nxpk= 15, iat=  -1, 321, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 323, 324,
 &end
#
#   19 GLU  HB+          20 GLY  HN          2.80    (#    529:15  Unique         2.79, 3.45 A)
 &rst
  ixpk= 529, nxpk= 15, iat=  -1, 321, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 310, 311,
 &end
#
#  117 GLY  HA-         117 GLY  HN          2.80    (#    530:15  Unique         2.29, 2.59 A)
 &rst
  ixpk= 530, nxpk= 15, iat=  -1,1756, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1758,1759,
 &end
#
#    0 AMB  15-2:531    117 GLY  HN          3.50    (#    531:15  Single Ambig)
 &rst
  ixpk= 531, nxpk= 15, iat=  -1,1756, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1736,1737,1767,1768,
 &end
#
#  117 GLY  HA+         117 GLY  HN          2.80    (#    532:15  Unique         2.29, 2.59 A)
 &rst
  ixpk= 532, nxpk= 15, iat=  -1,1756, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1758,1759,
 &end
#
#  116 ARG  HG-         117 GLY  HN          3.50    (#    533:15  Unique         2.12, 2.93 A)
 &rst
  ixpk= 533, nxpk= 15, iat=  -1,1756, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1739,1740,
 &end
#
#   99 TRP  HD1          99 TRP  HE1         3.50    (#    534:15  Unique         2.52, 2.54 A)
 &rst
  ixpk= 534, nxpk= 15, iat=1468,1470, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   90 TRP  HZ2          90 TRP  HE1         3.50    (#    535:15  Unique         2.85, 2.87 A)
 &rst
  ixpk= 535, nxpk= 15, iat=1321,1318, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   90 TRP  HD1          90 TRP  HE1         2.80    (#    536:15  Unique         2.56, 2.57 A)
 &rst
  ixpk= 536, nxpk= 15, iat=1316,1318, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  122 ARG  HN          123 VAL  HN          2.80    (#    537:15  Unique         2.45, 2.54 A)
 &rst
  ixpk= 537, nxpk= 15, iat=1833,1857, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   26 GLY  HN           25 LEU  HN          3.50    (#    538:15  Unique         2.50, 2.55 A)
 &rst
  ixpk= 538, nxpk= 15, iat= 413, 394, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   24 THR  HN           25 LEU  HN          4.50    (#    539:15  Unique         2.67, 2.76 A)
 &rst
  ixpk= 539, nxpk= 15, iat= 380, 394, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:540      0 AMB  15-1:540    2.80    (#    540:15  Double Ambig)
 &rst
  ixpk= 540, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1888,1756,
 igr2=1873,1732,
 &end
#
#  120 LYS  HN          119 VAL  HN          3.50    (#    541:15  Unique         2.47, 2.59 A)
 &rst
  ixpk= 541, nxpk= 15, iat=1796,1780, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  118 GLN  HN          119 VAL  HN          2.80    (#    542:15  Unique         2.22, 2.45 A)
 &rst
  ixpk= 542, nxpk= 15, iat=1763,1780, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  110 GLU  HN          109 LEU  HN          3.50    (#    543:15  Unique         2.55, 2.60 A)
 &rst
  ixpk= 543, nxpk= 15, iat=1627,1608, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   68 PHE  HD           69 ASN  HN          3.50    (#    544:15  Unique         2.83, 4.37 A)
 &rst
  ixpk= 544, nxpk= 15, iat=  -1,1018, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1006,1014,
 &end
#
#   69 ASN  HD2-         69 ASN  HN          3.50    (#    545:15  Unique         2.96, 3.87 A)
 &rst
  ixpk= 545, nxpk= 15, iat=  -1,1018, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1027,1028,
 &end
#
#   90 TRP  HN           89 GLU  HN          2.80    (#    546:15  Unique         2.42, 2.63 A)
 &rst
  ixpk= 546, nxpk= 15, iat=1308,1293, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  114 THR  HN          113 ARG  HN          3.50    (#    547:15  Unique         2.72, 2.80 A)
 &rst
  ixpk= 547, nxpk= 15, iat=1702,1678, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  112 PHE  HN          113 ARG  HN          3.50    (#    548:15  Unique         2.81, 2.91 A)
 &rst
  ixpk= 548, nxpk= 15, iat=1658,1678, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   24 THR  HN           23 LYS  HN          2.80    (#    549:15  Unique         2.55, 2.60 A)
 &rst
  ixpk= 549, nxpk= 15, iat= 380, 358, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   48 ALA  HN           49 MET  HN          3.50    (#    550:15  Unique         2.75, 2.80 A)
 &rst
  ixpk= 550, nxpk= 15, iat= 717, 727, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   96 PHE  HD           97 GLU  HN          4.50    (#    551:15  Unique         2.19, 3.92 A)
 &rst
  ixpk= 551, nxpk= 15, iat=  -1,1433, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1421,1429,
 &end
#
#   53 VAL  HN           55 ILE  HN          3.50    (#    552:15  Unique         3.25, 3.36 A)
 &rst
  ixpk= 552, nxpk= 15, iat= 791, 814, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   92 THR  HN           93 GLN  HN          3.50    (#    553:15  Unique         2.45, 2.76 A)
 &rst
  ixpk= 553, nxpk= 15, iat=1348,1362, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  112 PHE  HD          112 PHE  HN          2.80    (#    554:15  Unique         2.03, 3.70 A)
 &rst
  ixpk= 554, nxpk= 15, iat=  -1,1658, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1666,1674,
 &end
#
#   73 TYR  HD           73 TYR  HN          2.80    (#    555:15  Unique         2.04, 3.61 A)
 &rst
  ixpk= 555, nxpk= 15, iat=  -1,1066, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1074,1083,
 &end
#
#   69 ASN  HD2-         72 ASP  HN          3.50    (#    556:15  Unique         1.77, 3.08 A)
 &rst
  ixpk= 556, nxpk= 15, iat=  -1,1054, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1027,1028,
 &end
#
#    0 AMB  15-2:557     90 TRP  HN          2.80    (#    557:15  Single Ambig)
 &rst
  ixpk= 557, nxpk= 15, iat=  -1,1308, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1316,1332,
 &end
#
#   53 VAL  HN           52 GLU  HN          2.80    (#    558:15  Unique         2.73, 2.81 A)
 &rst
  ixpk= 558, nxpk= 15, iat= 791, 776, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   93 GLN  HE2+         71 ASP  HN          4.50    (#    565:15  Unique         3.68, 4.14 A)
 &rst
  ixpk= 565, nxpk= 15, iat=  -1,1042, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1374,1375,
 &end
#
#   53 VAL  HN           54 GLY  HN          2.80    (#    566:15  Unique         1.95, 2.20 A)
 &rst
  ixpk= 566, nxpk= 15, iat= 791, 807, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   27 ALA  HN           26 GLY  HN          3.50    (#    567:15  Unique         2.76, 2.82 A)
 &rst
  ixpk= 567, nxpk= 15, iat= 420, 413, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   71 ASP  HN           70 ALA  HN          2.80    (#    568:15  Unique         2.70, 2.82 A)
 &rst
  ixpk= 568, nxpk= 15, iat=1042,1032, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   52 GLU  HN           51 GLU  HN          3.50    (#    569:15  Unique         2.53, 2.65 A)
 &rst
  ixpk= 569, nxpk= 15, iat= 776, 761, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  121 GLU  HN          120 LYS  HN          2.80    (#    570:15  Unique         2.87, 2.91 A)
 &rst
  ixpk= 570, nxpk= 15, iat=1818,1796, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  111 VAL  HN          112 PHE  HN          2.80    (#    571:15  Unique         2.60, 2.66 A)
 &rst
  ixpk= 571, nxpk= 15, iat=1642,1658, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:572     68 PHE  HN          3.50    (#    572:15  Single Ambig)
 &rst
  ixpk= 572, nxpk= 15, iat=  -1, 998, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1006,1014,1321,
 &end
#
#   30 ILE  HN           29 LYS  HN          2.80    (#    573:15  Unique         1.83, 1.89 A)
 &rst
  ixpk= 573, nxpk= 15, iat= 459, 437, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  128 ALA  HN          127 ILE  HN          2.80    (#    574:15  Unique         2.77, 2.79 A)
 &rst
  ixpk= 574, nxpk= 15, iat=1940,1921, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   46 ALA  HN           47 ILE  HN          3.50    (#    575:15  Unique         2.44, 2.53 A)
 &rst
  ixpk= 575, nxpk= 15, iat= 688, 698, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   48 ALA  HN           47 ILE  HN          3.50    (#    576:15  Unique         2.84, 2.88 A)
 &rst
  ixpk= 576, nxpk= 15, iat= 717, 698, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   90 TRP  HE3          90 TRP  HN          5.50    (#    577:15  Unique         5.11, 5.28 A)
 &rst
  ixpk= 577, nxpk= 15, iat=1327,1308, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   60 GLN  HN           59 GLY  HN          3.50    (#    579:15  Unique         2.62, 2.95 A)
 &rst
  ixpk= 579, nxpk= 15, iat= 882, 875, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   49 MET  HN           48 ALA  HN          3.50    (#    580:15  Unique         2.75, 2.80 A)
 &rst
  ixpk= 580, nxpk= 15, iat= 727, 717, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  119 VAL  HN          118 GLN  HN          2.80    (#    581:15  Unique         2.22, 2.45 A)
 &rst
  ixpk= 581, nxpk= 15, iat=1780,1763, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  127 ILE  HN          126 LEU  HN          3.50    (#    582:15  Unique         2.61, 2.64 A)
 &rst
  ixpk= 582, nxpk= 15, iat=1921,1902, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  113 ARG  HN          114 THR  HN          2.80    (#    583:15  Unique         2.72, 2.80 A)
 &rst
  ixpk= 583, nxpk= 15, iat=1678,1702, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  119 VAL  HN          120 LYS  HN          3.50    (#    585:15  Unique         2.47, 2.59 A)
 &rst
  ixpk= 585, nxpk= 15, iat=1780,1796, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  113 ARG  HN          112 PHE  HN          3.50    (#    586:15  Unique         2.81, 2.91 A)
 &rst
  ixpk= 586, nxpk= 15, iat=1678,1658, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    3 LYS  HN           74 ASP  HN          3.50    (#    587:15  Unique         2.33, 2.59 A)
 &rst
  ixpk= 587, nxpk= 15, iat=  43,1087, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   83 GLY  HN           84 VAL  HN          3.50    (#    588:15  Unique         1.83, 2.40 A)
 &rst
  ixpk= 588, nxpk= 15, iat=1209,1216, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  106 GLY  HN          107 GLN  HN          3.50    (#    589:15  Unique         2.81, 2.98 A)
 &rst
  ixpk= 589, nxpk= 15, iat=1573,1580, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   28 GLY  HN           29 LYS  HN          4.50    (#    590:15  Unique         2.66, 2.68 A)
 &rst
  ixpk= 590, nxpk= 15, iat= 430, 437, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  123 VAL  HN          122 ARG  HN          3.50    (#    591:15  Unique         2.45, 2.54 A)
 &rst
  ixpk= 591, nxpk= 15, iat=1857,1833, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  124 GLU  HN          125 ASN  HN          2.80    (#    592:15  Unique         2.72, 2.76 A)
 &rst
  ixpk= 592, nxpk= 15, iat=1873,1888, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   89 GLU  HN           90 TRP  HN          2.80    (#    593:15  Unique         2.42, 2.63 A)
 &rst
  ixpk= 593, nxpk= 15, iat=1293,1308, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  109 LEU  HN          110 GLU  HN          3.50    (#    594:15  Unique         2.55, 2.60 A)
 &rst
  ixpk= 594, nxpk= 15, iat=1608,1627, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:595     24 THR  HN          2.80    (#    595:15  Single Ambig)
 &rst
  ixpk= 595, nxpk= 15, iat=  -1, 380, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 358, 394,
 &end
#
#   25 LEU  HN           26 GLY  HN          3.50    (#    597:15  Unique         2.50, 2.55 A)
 &rst
  ixpk= 597, nxpk= 15, iat= 394, 413, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  116 ARG  HN          117 GLY  HN          3.50    (#    598:15  Unique         2.89, 3.01 A)
 &rst
  ixpk= 598, nxpk= 15, iat=1732,1756, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   26 GLY  HN           27 ALA  HN          2.80    (#    599:15  Unique         2.76, 2.82 A)
 &rst
  ixpk= 599, nxpk= 15, iat= 413, 420, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   72 ASP  HN           69 ASN  HD2-        4.50    (#    600:15  Unique         1.77, 3.08 A)
 &rst
  ixpk= 600, nxpk= 15, iat=1054,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1027,1028,
 &end
#
#   93 GLN  HN           92 THR  HN          3.50    (#    606:15  Unique         2.45, 2.76 A)
 &rst
  ixpk= 606, nxpk= 15, iat=1362,1348, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   68 PHE  HD           67 ASN  HD2-        2.80    (#    608:15  Unique         2.48, 4.31 A)
 &rst
  ixpk= 608, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1006,1014,
 igr2= 993, 994,
 &end
#
#   90 TRP  HN           91 VAL  HN          2.80    (#    609:15  Unique         2.43, 2.67 A)
 &rst
  ixpk= 609, nxpk= 15, iat=1308,1332, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   47 ILE  HN           46 ALA  HN          3.50    (#    611:15  Unique         2.44, 2.53 A)
 &rst
  ixpk= 611, nxpk= 15, iat= 698, 688, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  120 LYS  HN          121 GLU  HN          3.50    (#    612:15  Unique         2.87, 2.91 A)
 &rst
  ixpk= 612, nxpk= 15, iat=1796,1818, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   54 GLY  HN           53 VAL  HN          2.80    (#    613:15  Unique         1.95, 2.20 A)
 &rst
  ixpk= 613, nxpk= 15, iat= 807, 791, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   36 GLY  HA-           8 CYS  HN          5.50    (#    615:15  Unique         2.41, 3.94 A)
 &rst
  ixpk= 615, nxpk= 15, iat=  -1, 134, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 542, 543,
 &end
#
#    1 MET  HA            1 MET  HN          4.50    (#    616:15  Unique         2.94, 2.95 A)
 &rst
  ixpk= 616, nxpk= 15, iat=   6,   2, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    1 MET  HG-           1 MET  HN          4.50    (#    617:15  Unique         3.03, 4.29 A)
 &rst
  ixpk= 617, nxpk= 15, iat=  -1,   2, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=  11,  12,
 &end
#
#    1 MET  HB-           1 MET  HN          4.50    (#    618:15  Unique         2.37, 2.92 A)
 &rst
  ixpk= 618, nxpk= 15, iat=  -1,   2, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=   8,   9,
 &end
#
#    1 MET  HG-           2 LYS  HN          4.50    (#    621:15  Unique         1.93, 3.73 A)
 &rst
  ixpk= 621, nxpk= 15, iat=  -1,  21, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=  11,  12,
 &end
#
#    2 LYS  HE+           2 LYS  HN          5.50    (#    622:15  Unique         1.99, 3.52 A)
 &rst
  ixpk= 622, nxpk= 15, iat=  -1,  21, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  34,  35,
 &end
#
#   30 ILE  HA            2 LYS  HN          4.50    (#    623:15  Unique         2.74, 3.11 A)
 &rst
  ixpk= 623, nxpk= 15, iat= 461,  21, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   31 ALA  HN            2 LYS  HN          4.50    (#    624:15  Unique         3.99, 4.17 A)
 &rst
  ixpk= 624, nxpk= 15, iat= 478,  21, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    3 LYS  HN            2 LYS  HN          5.50    (#    625:15  Unique         4.58, 4.62 A)
 &rst
  ixpk= 625, nxpk= 15, iat=  43,  21, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   73 TYR  HA            3 LYS  HN          4.50    (#    626:15  Unique         3.41, 3.69 A)
 &rst
  ixpk= 626, nxpk= 15, iat=1068,  43, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:627      3 LYS  HN          4.50    (#    627:15  Single Ambig)
 &rst
  ixpk= 627, nxpk= 15, iat=  -1,  43, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1089,  67,
 &end
#
#   75 VAL  HN            3 LYS  HN          5.50    (#    628:15  Unique         4.01, 4.21 A)
 &rst
  ixpk= 628, nxpk= 15, iat=1099,  43, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   74 ASP  HN            3 LYS  HN          3.50    (#    629:15  Unique         2.33, 2.59 A)
 &rst
  ixpk= 629, nxpk= 15, iat=1087,  43, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    4 VAL  HN            3 LYS  HN          4.50    (#    630:15  Unique         4.48, 4.53 A)
 &rst
  ixpk= 630, nxpk= 15, iat=  65,  43, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:631      3 LYS  HN          5.50    (#    631:15  Single Ambig)
 &rst
  ixpk= 631, nxpk= 15, iat=  -1,  43, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1070,1071,  56,  57,
 &end
#
#    0 AMB  15-2:632      3 LYS  HN          5.50    (#    632:15  Single Ambig)
 &rst
  ixpk= 632, nxpk= 15, iat=  -1,  43, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1=1105,1106,1107,1109,1110,1111,1978,1979,1980,
 &end
#
#    0 AMB  15-2:633      3 LYS  HN          4.50    (#    633:15  Single Ambig)
 &rst
  ixpk= 633, nxpk= 15, iat=  -1,  43, r1= 0.00, r2= 1.80, r3= 7.07, r4= 7.82,
 igr1=1105,1106,1107,1109,1110,1111,  71,  72,  73,  75,
        76,  77,1985,1986,1987,
 &end
#
#    3 LYS  HN            4 VAL  HN          4.50    (#    634:15  Unique         4.48, 4.53 A)
 &rst
  ixpk= 634, nxpk= 15, iat=  43,  65, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:635      4 VAL  HN          4.50    (#    635:15  Single Ambig)
 &rst
  ixpk= 635, nxpk= 15, iat=  -1,  65, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 478, 504,
 &end
#
#   73 TYR  HD            4 VAL  HN          4.50    (#    636:15  Unique         3.00, 5.63 A)
 &rst
  ixpk= 636, nxpk= 15, iat=  -1,  65, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1074,1083,
 &end
#
#   75 VAL  HB            4 VAL  HN          5.50    (#    638:15  Unique         4.59, 4.81 A)
 &rst
  ixpk= 638, nxpk= 15, iat=1103,  65, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   32 VAL  MGX           4 VAL  HN          4.50    (#    639:15  Unique         3.66, 5.36 A)
 &rst
  ixpk= 639, nxpk= 15, iat=  -1,  65, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 494, 495, 496, 498, 499, 500,
 &end
#
#   32 VAL  MGY           4 VAL  HN          4.50    (#    640:15  Unique         3.66, 5.36 A)
 &rst
  ixpk= 640, nxpk= 15, iat=  -1,  65, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 494, 495, 496, 498, 499, 500,
 &end
#
#   30 ILE  QG2           4 VAL  HN          5.50    (#    641:15  Unique         4.93, 6.31 A)
 &rst
  ixpk= 641, nxpk= 15, iat=  -1,  65, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 465, 466, 467,
 &end
#
#    4 VAL  HN            5 MET  HN          4.50    (#    642:15  Unique         4.43, 4.49 A)
 &rst
  ixpk= 642, nxpk= 15, iat=  65,  81, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   77 ILE  HN            5 MET  HN          4.50    (#    643:15  Unique         3.17, 3.28 A)
 &rst
  ixpk= 643, nxpk= 15, iat=1131,  81, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    6 PHE  HN            5 MET  HN          5.50    (#    644:15  Unique         4.07, 4.18 A)
 &rst
  ixpk= 644, nxpk= 15, iat=  98,  81, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   75 VAL  HN            5 MET  HN          4.50    (#    645:15  Unique         4.43, 4.52 A)
 &rst
  ixpk= 645, nxpk= 15, iat=1099,  81, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    6 PHE  HE            5 MET  HN          4.50    (#    646:15  Unique         4.14, 5.48 A)
 &rst
  ixpk= 646, nxpk= 15, iat=  -1,  81, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 108, 112,
 &end
#
#   90 TRP  HZ3           5 MET  HN          5.50    (#    648:15  Unique         5.53, 5.57 A)
 &rst
  ixpk= 648, nxpk= 15, iat=1325,  81, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   73 TYR  HB+           5 MET  HN          4.50    (#    649:15  Unique         4.57, 5.08 A)
 &rst
  ixpk= 649, nxpk= 15, iat=  -1,  81, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1070,1071,
 &end
#
#   73 TYR  HB-           5 MET  HN          4.50    (#    650:15  Unique         4.57, 5.08 A)
 &rst
  ixpk= 650, nxpk= 15, iat=  -1,  81, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1070,1071,
 &end
#
#   75 VAL  MGX           5 MET  HN          4.50    (#    651:15  Unique         3.54, 5.68 A)
 &rst
  ixpk= 651, nxpk= 15, iat=  -1,  81, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1105,1106,1107,1109,1110,1111,
 &end
#
#    0 AMB  15-2:652      5 MET  HN          4.50    (#    652:15  Single Ambig)
 &rst
  ixpk= 652, nxpk= 15, iat=  -1,  81, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 124, 125, 126, 128, 129, 130,1144,1145,1146,
 &end
#
#   34 SER  HA            6 PHE  HN          3.50    (#    653:15  Unique         1.98, 2.35 A)
 &rst
  ixpk= 653, nxpk= 15, iat= 520,  98, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    7 VAL  HN            6 PHE  HN          4.50    (#    654:15  Unique         4.15, 4.34 A)
 &rst
  ixpk= 654, nxpk= 15, iat= 118,  98, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    6 PHE  HD            6 PHE  HN          4.50    (#    655:15  Unique         2.32, 3.85 A)
 &rst
  ixpk= 655, nxpk= 15, iat=  -1,  98, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 106, 114,
 &end
#
#    6 PHE  HA            6 PHE  HN          4.50    (#    656:15  Unique         2.95, 2.97 A)
 &rst
  ixpk= 656, nxpk= 15, iat= 100,  98, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    6 PHE  HB-           6 PHE  HN          3.50    (#    658:15  Unique         2.46, 3.12 A)
 &rst
  ixpk= 658, nxpk= 15, iat=  -1,  98, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 102, 103,
 &end
#
#    5 MET  HG+           6 PHE  HN          4.50    (#    659:15  Unique         2.82, 3.80 A)
 &rst
  ixpk= 659, nxpk= 15, iat=  -1,  98, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=  88,  89,
 &end
#
#   79 LEU  HN            7 VAL  HN          4.50    (#    661:15  Unique         2.54, 3.49 A)
 &rst
  ixpk= 661, nxpk= 15, iat=1161, 118, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    6 PHE  HD            7 VAL  HN          5.50    (#    662:15  Unique         4.02, 5.20 A)
 &rst
  ixpk= 662, nxpk= 15, iat=  -1, 118, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 106, 114,
 &end
#
#    7 VAL  HA            7 VAL  HN          4.50    (#    663:15  Unique         2.92, 2.97 A)
 &rst
  ixpk= 663, nxpk= 15, iat= 120, 118, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    6 PHE  HA            7 VAL  HN          2.80    (#    665:15  Unique         2.15, 2.23 A)
 &rst
  ixpk= 665, nxpk= 15, iat= 100, 118, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:666      7 VAL  HN          5.50    (#    666:15  Single Ambig)
 &rst
  ixpk= 666, nxpk= 15, iat=  -1, 118, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 253, 522, 523,
 &end
#
#    6 PHE  HB+           7 VAL  HN          3.50    (#    667:15  Unique         3.07, 3.95 A)
 &rst
  ixpk= 667, nxpk= 15, iat=  -1, 118, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 102, 103,
 &end
#
#   79 LEU  HB-           7 VAL  HN          4.50    (#    669:15  Unique         3.55, 5.29 A)
 &rst
  ixpk= 669, nxpk= 15, iat=  -1, 118, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1165,1166,
 &end
#
#   79 LEU  MDX           7 VAL  HN          5.50    (#    670:15  Unique         2.68, 5.11 A)
 &rst
  ixpk= 670, nxpk= 15, iat=  -1, 118, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1170,1171,1172,1174,1175,1176,
 &end
#
#    7 VAL  MGX           7 VAL  HN          4.50    (#    671:15  Unique         2.17, 3.92 A)
 &rst
  ixpk= 671, nxpk= 15, iat=  -1, 118, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 124, 125, 126, 128, 129, 130,
 &end
#
#    0 AMB  15-2:672     15 SER  HN          4.50    (#    672:15  Single Ambig)
 &rst
  ixpk= 672, nxpk= 15, iat=  -1, 251, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 253, 229,
 &end
#
#   13 CYS  HN           16 GLN  HN          5.50    (#    673:15  Unique         4.83, 5.03 A)
 &rst
  ixpk= 673, nxpk= 15, iat= 216, 262, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   17 MET  HN           16 GLN  HN          4.50    (#    674:15  Unique         2.49, 2.63 A)
 &rst
  ixpk= 674, nxpk= 15, iat= 279, 262, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   16 GLN  HB-          16 GLN  HN          4.50    (#    676:15  Unique         2.19, 2.80 A)
 &rst
  ixpk= 676, nxpk= 15, iat=  -1, 262, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 266, 267,
 &end
#
#   16 GLN  HB+          16 GLN  HN          4.50    (#    677:15  Unique         2.19, 2.80 A)
 &rst
  ixpk= 677, nxpk= 15, iat=  -1, 262, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 266, 267,
 &end
#
#   18 ALA  HA           18 ALA  HN          4.50    (#    678:15  Unique         2.81, 2.85 A)
 &rst
  ixpk= 678, nxpk= 15, iat= 298, 296, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   20 GLY  HN           18 ALA  HN          4.50    (#    679:15  Unique         4.00, 4.17 A)
 &rst
  ixpk= 679, nxpk= 15, iat= 321, 296, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   17 MET  HA           18 ALA  HN          4.50    (#    680:15  Unique         3.57, 3.60 A)
 &rst
  ixpk= 680, nxpk= 15, iat= 281, 296, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   17 MET  HB+          18 ALA  HN          4.50    (#    681:15  Unique         2.64, 3.38 A)
 &rst
  ixpk= 681, nxpk= 15, iat=  -1, 296, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 283, 284,
 &end
#
#   17 MET  HB-          18 ALA  HN          4.50    (#    682:15  Unique         2.64, 3.38 A)
 &rst
  ixpk= 682, nxpk= 15, iat=  -1, 296, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 283, 284,
 &end
#
#  119 VAL  MGX          18 ALA  HN          4.50    (#    683:15  Unique         2.82, 4.54 A)
 &rst
  ixpk= 683, nxpk= 15, iat=  -1, 296, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1786,1787,1788,1790,1791,1792,
 &end
#
#   19 GLU  HA           19 GLU  HN          3.50    (#    685:15  Unique         2.80, 2.85 A)
 &rst
  ixpk= 685, nxpk= 15, iat= 308, 306, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   16 GLN  HA           19 GLU  HN          5.50    (#    686:15  Unique         2.88, 3.23 A)
 &rst
  ixpk= 686, nxpk= 15, iat= 264, 306, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   22 ALA  HN           20 GLY  HN          5.50    (#    688:15  Unique         3.83, 3.95 A)
 &rst
  ixpk= 688, nxpk= 15, iat= 348, 321, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   60 GLN  HE2+         20 GLY  HN          4.50    (#    689:15  Unique         2.62, 4.20 A)
 &rst
  ixpk= 689, nxpk= 15, iat=  -1, 321, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 894, 895,
 &end
#
#   21 PHE  HN           20 GLY  HN          4.50    (#    690:15  Unique         2.61, 2.70 A)
 &rst
  ixpk= 690, nxpk= 15, iat= 328, 321, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   60 GLN  HE2-         20 GLY  HN          4.50    (#    691:15  Unique         2.62, 4.20 A)
 &rst
  ixpk= 691, nxpk= 15, iat=  -1, 321, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 894, 895,
 &end
#
#   17 MET  ME           20 GLY  HN          2.80    (#    692:15  Unique         3.05, 3.86 A)
 &rst
  ixpk= 692, nxpk= 15, iat=  -1, 321, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 290, 291, 292,
 &end
#
#    0 AMB  15-2:693     20 GLY  HN          4.50    (#    693:15  Single Ambig)
 &rst
  ixpk= 693, nxpk= 15, iat=  -1, 321, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 820, 821, 822, 300, 301, 302,
 &end
#
#   21 PHE  HD           21 PHE  HN          4.50    (#    694:15  Unique         3.42, 3.80 A)
 &rst
  ixpk= 694, nxpk= 15, iat=  -1, 328, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 336, 344,
 &end
#
#   22 ALA  HN           21 PHE  HN          4.50    (#    695:15  Unique         2.61, 2.68 A)
 &rst
  ixpk= 695, nxpk= 15, iat= 348, 328, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   20 GLY  HN           21 PHE  HN          4.50    (#    697:15  Unique         2.61, 2.70 A)
 &rst
  ixpk= 697, nxpk= 15, iat= 321, 328, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   21 PHE  HA           21 PHE  HN          4.50    (#    698:15  Unique         2.91, 2.92 A)
 &rst
  ixpk= 698, nxpk= 15, iat= 330, 328, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   20 GLY  HA-          21 PHE  HN          4.50    (#    699:15  Unique         2.68, 3.18 A)
 &rst
  ixpk= 699, nxpk= 15, iat=  -1, 328, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 323, 324,
 &end
#
#   18 ALA  HA           21 PHE  HN          4.50    (#    700:15  Unique         3.23, 3.35 A)
 &rst
  ixpk= 700, nxpk= 15, iat= 298, 328, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   20 GLY  HA+          21 PHE  HN          4.50    (#    701:15  Unique         2.68, 3.18 A)
 &rst
  ixpk= 701, nxpk= 15, iat=  -1, 328, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 323, 324,
 &end
#
#   21 PHE  HB+          21 PHE  HN          4.50    (#    702:15  Unique         2.29, 2.98 A)
 &rst
  ixpk= 702, nxpk= 15, iat=  -1, 328, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 332, 333,
 &end
#
#   22 ALA  MB           21 PHE  HN          5.50    (#    703:15  Unique         4.74, 5.42 A)
 &rst
  ixpk= 703, nxpk= 15, iat=  -1, 328, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 352, 353, 354,
 &end
#
#    0 AMB  15-2:704     21 PHE  HN          4.50    (#    704:15  Single Ambig)
 &rst
  ixpk= 704, nxpk= 15, iat=  -1, 328, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1863,1864,1865,1867,1868,1869, 494, 495, 496, 498,
       499, 500,
 &end
#
#   17 MET  ME           21 PHE  HN          4.50    (#    705:15  Unique         2.24, 3.36 A)
 &rst
  ixpk= 705, nxpk= 15, iat=  -1, 328, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 290, 291, 292,
 &end
#
#   55 ILE  QD1          21 PHE  HN          5.50    (#    706:15  Unique         3.56, 4.54 A)
 &rst
  ixpk= 706, nxpk= 15, iat=  -1, 328, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 827, 828, 829,
 &end
#
#   23 LYS  HN           22 ALA  HN          4.50    (#    708:15  Unique         2.70, 2.78 A)
 &rst
  ixpk= 708, nxpk= 15, iat= 358, 348, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   21 PHE  HN           22 ALA  HN          4.50    (#    709:15  Unique         2.61, 2.68 A)
 &rst
  ixpk= 709, nxpk= 15, iat= 328, 348, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   21 PHE  HD           22 ALA  HN          5.50    (#    710:15  Unique         4.95, 5.27 A)
 &rst
  ixpk= 710, nxpk= 15, iat=  -1, 348, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 336, 344,
 &end
#
#   21 PHE  HA           22 ALA  HN          5.50    (#    711:15  Unique         3.56, 3.59 A)
 &rst
  ixpk= 711, nxpk= 15, iat= 330, 348, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   18 ALA  HA           22 ALA  HN          4.50    (#    712:15  Unique         3.64, 3.76 A)
 &rst
  ixpk= 712, nxpk= 15, iat= 298, 348, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   21 PHE  HB+          22 ALA  HN          4.50    (#    713:15  Unique         2.80, 3.35 A)
 &rst
  ixpk= 713, nxpk= 15, iat=  -1, 348, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 332, 333,
 &end
#
#   21 PHE  HB-          22 ALA  HN          4.50    (#    714:15  Unique         2.80, 3.35 A)
 &rst
  ixpk= 714, nxpk= 15, iat=  -1, 348, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 332, 333,
 &end
#
#  123 VAL  MGY          22 ALA  HN          4.50    (#    715:15  Unique         2.86, 4.06 A)
 &rst
  ixpk= 715, nxpk= 15, iat=  -1, 348, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1863,1864,1865,1867,1868,1869,
 &end
#
#    0 AMB  15-2:716     22 ALA  HN          5.50    (#    716:15  Single Ambig)
 &rst
  ixpk= 716, nxpk= 15, iat=  -1, 348, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1=1934,1935,1936, 290, 291, 292, 472, 473, 474,
 &end
#
#    0 AMB  15-2:717     22 ALA  HN          5.50    (#    717:15  Single Ambig)
 &rst
  ixpk= 717, nxpk= 15, iat=  -1, 348, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 384, 360, 415, 416,
 &end
#
#   22 ALA  HN           23 LYS  HN          3.50    (#    718:15  Unique         2.70, 2.78 A)
 &rst
  ixpk= 718, nxpk= 15, iat= 348, 358, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   21 PHE  HN           23 LYS  HN          4.50    (#    721:15  Unique         4.33, 4.40 A)
 &rst
  ixpk= 721, nxpk= 15, iat= 328, 358, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   20 GLY  HA-          23 LYS  HN          4.50    (#    722:15  Unique         3.61, 4.36 A)
 &rst
  ixpk= 722, nxpk= 15, iat=  -1, 358, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 323, 324,
 &end
#
#   21 PHE  HA           23 LYS  HN          5.50    (#    723:15  Unique         4.56, 4.62 A)
 &rst
  ixpk= 723, nxpk= 15, iat= 330, 358, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   23 LYS  HE+          23 LYS  HN          5.50    (#    724:15  Unique         3.79, 4.96 A)
 &rst
  ixpk= 724, nxpk= 15, iat=  -1, 358, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 371, 372,
 &end
#
#   20 GLY  HA+          23 LYS  HN          5.50    (#    725:15  Unique         3.61, 4.36 A)
 &rst
  ixpk= 725, nxpk= 15, iat=  -1, 358, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 323, 324,
 &end
#
#    0 AMB  15-2:726     23 LYS  HN          5.50    (#    726:15  Single Ambig)
 &rst
  ixpk= 726, nxpk= 15, iat=  -1, 358, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 472, 473, 474,1934,1935,1936, 290, 291, 292,
 &end
#
#   24 THR  HN           26 GLY  HN          4.50    (#    728:15  Unique         4.08, 4.18 A)
 &rst
  ixpk= 728, nxpk= 15, iat= 380, 413, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   22 ALA  HA           26 GLY  HN          4.50    (#    729:15  Unique         3.01, 3.19 A)
 &rst
  ixpk= 729, nxpk= 15, iat= 350, 413, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:730     26 GLY  HN          4.50    (#    730:15  Single Ambig)
 &rst
  ixpk= 730, nxpk= 15, iat=  -1, 413, r1= 0.00, r2= 1.80, r3= 6.71, r4= 7.46,
 igr1= 469, 470, 386, 387, 388,1863,1864,1865,1867,1868,
      1869,
 &end
#
#    0 AMB  15-2:731     26 GLY  HN          4.50    (#    731:15  Single Ambig)
 &rst
  ixpk= 731, nxpk= 15, iat=  -1, 413, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1931,1932, 469, 470,
 &end
#
#    0 AMB  15-2:732     26 GLY  HN          3.50    (#    732:15  Single Ambig)
 &rst
  ixpk= 732, nxpk= 15, iat=  -1, 413, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 494, 495, 496, 498, 499, 500, 403, 404, 405, 407,
       408, 409,1863,1864,1865,1867,1868,1869,
 &end
#
#   28 GLY  HN           27 ALA  HN          4.50    (#    734:15  Unique         4.53, 4.54 A)
 &rst
  ixpk= 734, nxpk= 15, iat= 430, 420, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   25 LEU  HN           27 ALA  HN          4.50    (#    735:15  Unique         4.01, 4.20 A)
 &rst
  ixpk= 735, nxpk= 15, iat= 394, 420, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   29 LYS  HN           27 ALA  HN          4.50    (#    736:15  Unique         4.44, 4.50 A)
 &rst
  ixpk= 736, nxpk= 15, iat= 437, 420, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:737     27 ALA  HN          4.50    (#    737:15  Single Ambig)
 &rst
  ixpk= 737, nxpk= 15, iat=  -1, 420, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 441, 442, 365, 366,
 &end
#
#    0 AMB  15-2:738     27 ALA  HN          5.50    (#    738:15  Single Ambig)
 &rst
  ixpk= 738, nxpk= 15, iat=  -1, 420, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1931,1932, 362, 363,
 &end
#
#   29 LYS  HG+          27 ALA  HN          4.50    (#    739:15  Unique         4.97, 5.14 A)
 &rst
  ixpk= 739, nxpk= 15, iat=  -1, 420, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 444, 445,
 &end
#
#    0 AMB  15-2:740     27 ALA  HN          4.50    (#    740:15  Single Ambig)
 &rst
  ixpk= 740, nxpk= 15, iat=  -1, 420, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1934,1935,1936, 472, 473, 474,
 &end
#
#   29 LYS  HN           28 GLY  HN          4.50    (#    741:15  Unique         2.66, 2.68 A)
 &rst
  ixpk= 741, nxpk= 15, iat= 437, 430, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   27 ALA  HN           28 GLY  HN          5.50    (#    742:15  Unique         4.53, 4.54 A)
 &rst
  ixpk= 742, nxpk= 15, iat= 420, 430, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   31 ALA  HA           28 GLY  HN          5.50    (#    743:15  Unique         5.54, 5.56 A)
 &rst
  ixpk= 743, nxpk= 15, iat= 480, 430, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   29 LYS  HB+          28 GLY  HN          5.50    (#    746:15  Unique         4.89, 5.63 A)
 &rst
  ixpk= 746, nxpk= 15, iat=  -1, 430, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 441, 442,
 &end
#
#   30 ILE  HA           29 LYS  HN          4.50    (#    748:15  Unique         4.45, 4.52 A)
 &rst
  ixpk= 748, nxpk= 15, iat= 461, 437, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    2 LYS  HE+          29 LYS  HN          5.50    (#    749:15  Unique         5.86, 6.45 A)
 &rst
  ixpk= 749, nxpk= 15, iat=  -1, 437, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  34,  35,
 &end
#
#   29 LYS  HB+          29 LYS  HN          2.80    (#    750:15  Unique         2.36, 3.03 A)
 &rst
  ixpk= 750, nxpk= 15, iat=  -1, 437, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 441, 442,
 &end
#
#   30 ILE  HG1-         29 LYS  HN          4.50    (#    751:15  Unique         3.95, 4.37 A)
 &rst
  ixpk= 751, nxpk= 15, iat=  -1, 437, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 469, 470,
 &end
#
#    0 AMB  15-2:752     29 LYS  HN          4.50    (#    752:15  Single Ambig)
 &rst
  ixpk= 752, nxpk= 15, iat=  -1, 437, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 465, 466, 467,1927,1928,1929,
 &end
#
#   31 ALA  HN           30 ILE  HN          5.50    (#    753:15  Unique         4.32, 4.35 A)
 &rst
  ixpk= 753, nxpk= 15, iat= 478, 459, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   29 LYS  HN           30 ILE  HN          2.80    (#    754:15  Unique         1.83, 1.89 A)
 &rst
  ixpk= 754, nxpk= 15, iat= 437, 459, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   30 ILE  HA           30 ILE  HN          4.50    (#    755:15  Unique         2.94, 2.95 A)
 &rst
  ixpk= 755, nxpk= 15, iat= 461, 459, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   29 LYS  HA           30 ILE  HN          4.50    (#    756:15  Unique         3.55, 3.57 A)
 &rst
  ixpk= 756, nxpk= 15, iat= 439, 459, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   26 GLY  HA-          30 ILE  HN          4.50    (#    757:15  Unique         3.57, 3.98 A)
 &rst
  ixpk= 757, nxpk= 15, iat=  -1, 459, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 415, 416,
 &end
#
#   28 GLY  HA+          30 ILE  HN          4.50    (#    758:15  Unique         4.45, 4.87 A)
 &rst
  ixpk= 758, nxpk= 15, iat=  -1, 459, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 432, 433,
 &end
#
#   29 LYS  HB+          30 ILE  HN          4.50    (#    759:15  Unique         2.43, 3.13 A)
 &rst
  ixpk= 759, nxpk= 15, iat=  -1, 459, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 441, 442,
 &end
#
#   30 ILE  QG2          30 ILE  HN          3.50    (#    760:15  Unique         3.23, 4.01 A)
 &rst
  ixpk= 760, nxpk= 15, iat=  -1, 459, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 465, 466, 467,
 &end
#
#   30 ILE  QD1          30 ILE  HN          4.50    (#    761:15  Unique         3.12, 4.60 A)
 &rst
  ixpk= 761, nxpk= 15, iat=  -1, 459, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 472, 473, 474,
 &end
#
#    4 VAL  HN           31 ALA  HN          4.50    (#    762:15  Unique         3.52, 3.69 A)
 &rst
  ixpk= 762, nxpk= 15, iat=  65, 478, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    2 LYS  HN           31 ALA  HN          4.50    (#    763:15  Unique         3.99, 4.17 A)
 &rst
  ixpk= 763, nxpk= 15, iat=  21, 478, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   30 ILE  HN           31 ALA  HN          5.50    (#    764:15  Unique         4.32, 4.35 A)
 &rst
  ixpk= 764, nxpk= 15, iat= 459, 478, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:765     31 ALA  HN          4.50    (#    765:15  Single Ambig)
 &rst
  ixpk= 765, nxpk= 15, iat=  -1, 478, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=  23,   6,
 &end
#
#   30 ILE  HG1-         31 ALA  HN          4.50    (#    767:15  Unique         3.66, 4.57 A)
 &rst
  ixpk= 767, nxpk= 15, iat=  -1, 478, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 469, 470,
 &end
#
#    0 AMB  15-2:769     32 VAL  HN          4.50    (#    769:15  Single Ambig)
 &rst
  ixpk= 769, nxpk= 15, iat=  -1, 488, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=  69, 463,  47,  48,
 &end
#
#   30 ILE  QD1          32 VAL  HN          4.50    (#    771:15  Unique         3.85, 5.73 A)
 &rst
  ixpk= 771, nxpk= 15, iat=  -1, 488, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 472, 473, 474,
 &end
#
#   34 SER  HN           33 THR  HN          4.50    (#    772:15  Unique         4.38, 4.44 A)
 &rst
  ixpk= 772, nxpk= 15, iat= 518, 504, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   34 SER  HA           34 SER  HN          4.50    (#    773:15  Unique         2.91, 2.95 A)
 &rst
  ixpk= 773, nxpk= 15, iat= 520, 518, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:774     34 SER  HN          4.50    (#    774:15  Single Ambig)
 &rst
  ixpk= 774, nxpk= 15, iat=  -1, 518, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 529, 504,
 &end
#
#   36 GLY  HN           35 CYS  HN          4.50    (#    775:15  Unique         4.35, 4.39 A)
 &rst
  ixpk= 775, nxpk= 15, iat= 540, 529, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    7 VAL  HA           35 CYS  HN          4.50    (#    777:15  Unique         2.59, 2.92 A)
 &rst
  ixpk= 777, nxpk= 15, iat= 120, 529, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   35 CYS  HA           35 CYS  HN          4.50    (#    778:15  Unique         2.89, 2.94 A)
 &rst
  ixpk= 778, nxpk= 15, iat= 531, 529, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   34 SER  HB+          35 CYS  HN          4.50    (#    780:15  Unique         2.45, 3.50 A)
 &rst
  ixpk= 780, nxpk= 15, iat=  -1, 529, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 522, 523,
 &end
#
#   34 SER  HB-          35 CYS  HN          4.50    (#    781:15  Unique         2.45, 3.50 A)
 &rst
  ixpk= 781, nxpk= 15, iat=  -1, 529, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 522, 523,
 &end
#
#   35 CYS  HB-          35 CYS  HN          4.50    (#    782:15  Unique         2.81, 3.59 A)
 &rst
  ixpk= 782, nxpk= 15, iat=  -1, 529, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 533, 534,
 &end
#
#   36 GLY  HA+          36 GLY  HN          4.50    (#    783:15  Unique         2.21, 2.60 A)
 &rst
  ixpk= 783, nxpk= 15, iat=  -1, 540, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 542, 543,
 &end
#
#   35 CYS  HA           36 GLY  HN          4.50    (#    784:15  Unique         2.19, 2.46 A)
 &rst
  ixpk= 784, nxpk= 15, iat= 531, 540, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   36 GLY  HA-          36 GLY  HN          5.50    (#    786:15  Unique         2.21, 2.60 A)
 &rst
  ixpk= 786, nxpk= 15, iat=  -1, 540, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 542, 543,
 &end
#
#   35 CYS  HB+          36 GLY  HN          4.50    (#    788:15  Unique         2.18, 3.11 A)
 &rst
  ixpk= 788, nxpk= 15, iat=  -1, 540, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 533, 534,
 &end
#
#   35 CYS  HB-          36 GLY  HN          4.50    (#    789:15  Unique         2.18, 3.11 A)
 &rst
  ixpk= 789, nxpk= 15, iat=  -1, 540, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 533, 534,
 &end
#
#   38 GLU  HN           37 LEU  HN          4.50    (#    790:15  Unique         2.62, 3.90 A)
 &rst
  ixpk= 790, nxpk= 15, iat= 566, 547, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   39 SER  HN           37 LEU  HN          4.50    (#    791:15  Unique         4.10, 4.55 A)
 &rst
  ixpk= 791, nxpk= 15, iat= 581, 547, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   37 LEU  HA           37 LEU  HN          4.50    (#    794:15  Unique         2.23, 2.71 A)
 &rst
  ixpk= 794, nxpk= 15, iat= 549, 547, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  127 ILE  HA          128 ALA  HN          4.50    (#    796:15  Unique         3.60, 3.62 A)
 &rst
  ixpk= 796, nxpk= 15, iat=1923,1940, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  127 ILE  HG1+        128 ALA  HN          4.50    (#    797:15  Unique         4.65, 4.97 A)
 &rst
  ixpk= 797, nxpk= 15, iat=  -1,1940, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1931,1932,
 &end
#
#  127 ILE  QG2         128 ALA  HN          3.50    (#    798:15  Unique         2.93, 3.88 A)
 &rst
  ixpk= 798, nxpk= 15, iat=  -1,1940, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1927,1928,1929,
 &end
#
#  126 LEU  HB+         128 ALA  HN          5.50    (#    800:15  Unique         5.28, 5.64 A)
 &rst
  ixpk= 800, nxpk= 15, iat=  -1,1940, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1906,1907,
 &end
#
#  125 ASN  HB-         128 ALA  HN          5.50    (#    801:15  Unique         5.06, 5.33 A)
 &rst
  ixpk= 801, nxpk= 15, iat=  -1,1940, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1892,1893,
 &end
#
#   37 LEU  HN           38 GLU  HN          4.50    (#    803:15  Unique         2.62, 3.90 A)
 &rst
  ixpk= 803, nxpk= 15, iat= 547, 566, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   36 GLY  HA-          38 GLU  HN          5.50    (#    804:15  Unique         4.38, 5.61 A)
 &rst
  ixpk= 804, nxpk= 15, iat=  -1, 566, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 542, 543,
 &end
#
#   10 ARG  HA           38 GLU  HN          5.50    (#    805:15  Unique         3.60, 5.32 A)
 &rst
  ixpk= 805, nxpk= 15, iat= 169, 566, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   38 GLU  HA           38 GLU  HN          4.50    (#    807:15  Unique         2.21, 2.74 A)
 &rst
  ixpk= 807, nxpk= 15, iat= 568, 566, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   38 GLU  HG-          38 GLU  HN          4.50    (#    808:15  Unique         2.12, 3.06 A)
 &rst
  ixpk= 808, nxpk= 15, iat=  -1, 566, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 573, 574,
 &end
#
#   38 GLU  HG+          38 GLU  HN          4.50    (#    809:15  Unique         2.12, 3.06 A)
 &rst
  ixpk= 809, nxpk= 15, iat=  -1, 566, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 573, 574,
 &end
#
#   38 GLU  HB-          38 GLU  HN          4.50    (#    810:15  Unique         2.19, 3.13 A)
 &rst
  ixpk= 810, nxpk= 15, iat=  -1, 566, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 570, 571,
 &end
#
#    0 AMB  15-2:811     38 GLU  HN          4.50    (#    811:15  Single Ambig)
 &rst
  ixpk= 811, nxpk= 15, iat=  -1, 566, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 551, 552, 554,
 &end
#
#   37 LEU  HN           39 SER  HN          4.50    (#    813:15  Unique         4.10, 4.55 A)
 &rst
  ixpk= 813, nxpk= 15, iat= 547, 581, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   39 SER  HA           39 SER  HN          4.50    (#    815:15  Unique         2.19, 2.56 A)
 &rst
  ixpk= 815, nxpk= 15, iat= 583, 581, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   39 SER  HB+          39 SER  HN          5.50    (#    816:15  Unique         2.61, 3.55 A)
 &rst
  ixpk= 816, nxpk= 15, iat=  -1, 581, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 585, 586,
 &end
#
#   39 SER  HB-          39 SER  HN          4.50    (#    817:15  Unique         2.61, 3.55 A)
 &rst
  ixpk= 817, nxpk= 15, iat=  -1, 581, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 585, 586,
 &end
#
#   38 GLU  HB-          39 SER  HN          5.50    (#    818:15  Unique         2.88, 4.05 A)
 &rst
  ixpk= 818, nxpk= 15, iat=  -1, 581, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 570, 571,
 &end
#
#   39 SER  HA           40 SER  HN          3.50    (#    821:15  Unique         2.23, 2.88 A)
 &rst
  ixpk= 821, nxpk= 15, iat= 583, 592, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   37 LEU  HA           40 SER  HN          5.50    (#    822:15  Unique         4.15, 5.30 A)
 &rst
  ixpk= 822, nxpk= 15, iat= 549, 592, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   40 SER  HB+          40 SER  HN          4.50    (#    823:15  Unique         2.64, 3.59 A)
 &rst
  ixpk= 823, nxpk= 15, iat=  -1, 592, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 596, 597,
 &end
#
#   39 SER  HB+          40 SER  HN          4.50    (#    824:15  Unique         1.79, 4.08 A)
 &rst
  ixpk= 824, nxpk= 15, iat=  -1, 592, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 585, 586,
 &end
#
#   39 SER  HB-          40 SER  HN          4.50    (#    825:15  Unique         1.79, 4.08 A)
 &rst
  ixpk= 825, nxpk= 15, iat=  -1, 592, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 585, 586,
 &end
#
#   40 SER  HN           41 ARG  HN          5.50    (#    826:15  Unique         3.01, 3.86 A)
 &rst
  ixpk= 826, nxpk= 15, iat= 592, 603, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   40 SER  HA           41 ARG  HN          5.50    (#    829:15  Unique         2.24, 2.82 A)
 &rst
  ixpk= 829, nxpk= 15, iat= 594, 603, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   40 SER  HB+          41 ARG  HN          4.50    (#    830:15  Unique         2.06, 3.59 A)
 &rst
  ixpk= 830, nxpk= 15, iat=  -1, 603, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 596, 597,
 &end
#
#   41 ARG  HD+          41 ARG  HN          5.50    (#    831:15  Unique         2.17, 3.63 A)
 &rst
  ixpk= 831, nxpk= 15, iat=  -1, 603, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 613, 614,
 &end
#
#   41 ARG  HB+          41 ARG  HN          5.50    (#    832:15  Unique         2.17, 3.45 A)
 &rst
  ixpk= 832, nxpk= 15, iat=  -1, 603, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 607, 608,
 &end
#
#   41 ARG  HB-          41 ARG  HN          5.50    (#    833:15  Unique         2.17, 3.45 A)
 &rst
  ixpk= 833, nxpk= 15, iat=  -1, 603, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 607, 608,
 &end
#
#   43 HIS  HN           42 VAL  HN          4.50    (#    834:15  Unique         4.10, 4.53 A)
 &rst
  ixpk= 834, nxpk= 15, iat= 643, 627, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   42 VAL  HA           42 VAL  HN          4.50    (#    836:15  Unique         2.14, 2.71 A)
 &rst
  ixpk= 836, nxpk= 15, iat= 629, 627, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   41 ARG  HB-          42 VAL  HN          3.50    (#    837:15  Unique         1.87, 3.10 A)
 &rst
  ixpk= 837, nxpk= 15, iat=  -1, 627, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 607, 608,
 &end
#
#   43 HIS  HA           43 HIS  HN          4.50    (#    840:15  Unique         2.92, 2.97 A)
 &rst
  ixpk= 840, nxpk= 15, iat= 645, 643, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   42 VAL  HB           43 HIS  HN          5.50    (#    841:15  Unique         2.17, 3.33 A)
 &rst
  ixpk= 841, nxpk= 15, iat= 631, 643, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   46 ALA  MB           43 HIS  HN          4.50    (#    842:15  Unique         3.37, 4.85 A)
 &rst
  ixpk= 842, nxpk= 15, iat=  -1, 643, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 692, 693, 694,
 &end
#
#   47 ILE  HN           45 THR  HN          4.50    (#    844:15  Unique         4.09, 4.20 A)
 &rst
  ixpk= 844, nxpk= 15, iat= 698, 674, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   46 ALA  HN           45 THR  HN          4.50    (#    845:15  Unique         2.71, 2.77 A)
 &rst
  ixpk= 845, nxpk= 15, iat= 688, 674, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   45 THR  HA           45 THR  HN          4.50    (#    846:15  Unique         2.78, 2.80 A)
 &rst
  ixpk= 846, nxpk= 15, iat= 676, 674, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   45 THR  HB           45 THR  HN          4.50    (#    847:15  Unique         2.57, 2.73 A)
 &rst
  ixpk= 847, nxpk= 15, iat= 678, 674, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   44 PRO  HG+          45 THR  HN          4.50    (#    848:15  Unique         1.92, 3.09 A)
 &rst
  ixpk= 848, nxpk= 15, iat=  -1, 674, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 664, 665,
 &end
#
#   46 ALA  MB           45 THR  HN          5.50    (#    849:15  Unique         4.92, 5.67 A)
 &rst
  ixpk= 849, nxpk= 15, iat=  -1, 674, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 692, 693, 694,
 &end
#
#   45 THR  MG2          45 THR  HN          5.50    (#    850:15  Unique         4.18, 4.52 A)
 &rst
  ixpk= 850, nxpk= 15, iat=  -1, 674, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 680, 681, 682,
 &end
#
#   45 THR  HN           46 ALA  HN          3.50    (#    851:15  Unique         2.71, 2.77 A)
 &rst
  ixpk= 851, nxpk= 15, iat= 674, 688, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   46 ALA  HA           46 ALA  HN          3.50    (#    853:15  Unique         2.88, 2.91 A)
 &rst
  ixpk= 853, nxpk= 15, iat= 690, 688, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   45 THR  HB           46 ALA  HN          4.50    (#    854:15  Unique         2.91, 3.02 A)
 &rst
  ixpk= 854, nxpk= 15, iat= 678, 688, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   43 HIS  HB+          46 ALA  HN          4.50    (#    855:15  Unique         2.83, 4.02 A)
 &rst
  ixpk= 855, nxpk= 15, iat=  -1, 688, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 647, 648,
 &end
#
#   43 HIS  HB-          46 ALA  HN          4.50    (#    856:15  Unique         2.83, 4.02 A)
 &rst
  ixpk= 856, nxpk= 15, iat=  -1, 688, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 647, 648,
 &end
#
#    0 AMB  15-2:857     46 ALA  HN          5.50    (#    857:15  Single Ambig)
 &rst
  ixpk= 857, nxpk= 15, iat=  -1, 688, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 702, 631,
 &end
#
#   90 TRP  HE1          90 TRP  HN          5.50    (#    859:15  Unique         4.28, 4.52 A)
 &rst
  ixpk= 859, nxpk= 15, iat=1318,1308, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   87 PRO  HB+          90 TRP  HN          5.50    (#    860:15  Unique         3.55, 5.20 A)
 &rst
  ixpk= 860, nxpk= 15, iat=  -1,1308, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1272,1273,
 &end
#
#    0 AMB  15-2:862      0 AMB  15-1:862    4.50    (#    862:15  Double Ambig)
 &rst
  ixpk= 862, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1269,1270, 731, 732,
 igr2=1308, 698,
 &end
#
#   48 ALA  MB           47 ILE  HN          4.50    (#    863:15  Unique         5.04, 5.61 A)
 &rst
  ixpk= 863, nxpk= 15, iat=  -1, 698, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 721, 722, 723,
 &end
#
#    0 AMB  15-2:864     90 TRP  HN          4.50    (#    864:15  Single Ambig)
 &rst
  ixpk= 864, nxpk= 15, iat=  -1,1308, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1250,1251,1121,1122,1123,1125,1126,1127,
 &end
#
#    0 AMB  15-2:865      0 AMB  15-1:865    4.50    (#    865:15  Double Ambig)
 &rst
  ixpk= 865, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 855, 856,1354,1355,1356,
 igr2= 698,1308,
 &end
#
#   91 VAL  MGX          90 TRP  HN          5.50    (#    866:15  Unique         3.23, 4.99 A)
 &rst
  ixpk= 866, nxpk= 15, iat=  -1,1308, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1338,1339,1340,1342,1343,1344,
 &end
#
#    0 AMB  15-2:867     47 ILE  HN          4.50    (#    867:15  Single Ambig)
 &rst
  ixpk= 867, nxpk= 15, iat=  -1, 698, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1= 708, 709, 858, 859, 860,
 &end
#
#   47 ILE  HA           48 ALA  HN          4.50    (#    868:15  Unique         3.61, 3.63 A)
 &rst
  ixpk= 868, nxpk= 15, iat= 700, 717, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   49 MET  HG+          48 ALA  HN          5.50    (#    869:15  Unique         4.65, 5.39 A)
 &rst
  ixpk= 869, nxpk= 15, iat=  -1, 717, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 734, 735,
 &end
#
#   49 MET  HB+          48 ALA  HN          5.50    (#    870:15  Unique         4.70, 5.57 A)
 &rst
  ixpk= 870, nxpk= 15, iat=  -1, 717, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 731, 732,
 &end
#
#   47 ILE  HG1-         48 ALA  HN          4.50    (#    872:15  Unique         5.00, 5.09 A)
 &rst
  ixpk= 872, nxpk= 15, iat=  -1, 717, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 708, 709,
 &end
#
#   49 MET  HB-          48 ALA  HN          5.50    (#    873:15  Unique         4.70, 5.57 A)
 &rst
  ixpk= 873, nxpk= 15, iat=  -1, 717, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 731, 732,
 &end
#
#   47 ILE  HG1+         48 ALA  HN          5.50    (#    874:15  Unique         5.00, 5.09 A)
 &rst
  ixpk= 874, nxpk= 15, iat=  -1, 717, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 708, 709,
 &end
#
#   45 THR  MG2          48 ALA  HN          5.50    (#    875:15  Unique         5.24, 5.90 A)
 &rst
  ixpk= 875, nxpk= 15, iat=  -1, 717, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 680, 681, 682,
 &end
#
#   50 MET  HN           49 MET  HN          4.50    (#    876:15  Unique         2.55, 2.69 A)
 &rst
  ixpk= 876, nxpk= 15, iat= 744, 727, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   48 ALA  HA           49 MET  HN          4.50    (#    877:15  Unique         3.56, 3.57 A)
 &rst
  ixpk= 877, nxpk= 15, iat= 719, 727, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   46 ALA  HA           49 MET  HN          3.50    (#    878:15  Unique         2.77, 3.34 A)
 &rst
  ixpk= 878, nxpk= 15, iat= 690, 727, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:879     49 MET  HN          5.50    (#    879:15  Single Ambig)
 &rst
  ixpk= 879, nxpk= 15, iat=  -1, 727, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 783, 784, 751, 752,
 &end
#
#   52 GLU  HB+          49 MET  HN          5.50    (#    880:15  Unique         4.76, 6.23 A)
 &rst
  ixpk= 880, nxpk= 15, iat=  -1, 727, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 780, 781,
 &end
#
#   49 MET  ME           49 MET  HN          4.50    (#    881:15  Unique         2.86, 4.63 A)
 &rst
  ixpk= 881, nxpk= 15, iat=  -1, 727, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 738, 739, 740,
 &end
#
#   45 THR  MG2          49 MET  HN          4.50    (#    882:15  Unique         4.12, 5.04 A)
 &rst
  ixpk= 882, nxpk= 15, iat=  -1, 727, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 680, 681, 682,
 &end
#
#   49 MET  HN           50 MET  HN          4.50    (#    884:15  Unique         2.55, 2.69 A)
 &rst
  ixpk= 884, nxpk= 15, iat= 727, 744, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   50 MET  HG+          50 MET  HN          4.50    (#    885:15  Unique         2.59, 3.48 A)
 &rst
  ixpk= 885, nxpk= 15, iat=  -1, 744, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 751, 752,
 &end
#
#    0 AMB  15-2:886     50 MET  HN          3.50    (#    886:15  Single Ambig)
 &rst
  ixpk= 886, nxpk= 15, iat=  -1, 744, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
 igr1= 748, 749, 755, 756, 757,
 &end
#
#   50 MET  HG-          50 MET  HN          3.50    (#    887:15  Unique         2.59, 3.48 A)
 &rst
  ixpk= 887, nxpk= 15, iat=  -1, 744, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 751, 752,
 &end
#
#   50 MET  HB-          50 MET  HN          4.50    (#    888:15  Unique         2.35, 3.09 A)
 &rst
  ixpk= 888, nxpk= 15, iat=  -1, 744, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 748, 749,
 &end
#
#   50 MET  HN           51 GLU  HN          3.50    (#    889:15  Unique         2.22, 2.34 A)
 &rst
  ixpk= 889, nxpk= 15, iat= 744, 761, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   48 ALA  HA           51 GLU  HN          4.50    (#    890:15  Unique         3.09, 3.23 A)
 &rst
  ixpk= 890, nxpk= 15, iat= 719, 761, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   51 GLU  HB-          51 GLU  HN          4.50    (#    891:15  Unique         2.39, 2.47 A)
 &rst
  ixpk= 891, nxpk= 15, iat=  -1, 761, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 765, 766,
 &end
#
#    0 AMB  15-2:892     51 GLU  HN          4.50    (#    892:15  Single Ambig)
 &rst
  ixpk= 892, nxpk= 15, iat=  -1, 761, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 751, 752, 783, 784,
 &end
#
#   50 MET  HB-          51 GLU  HN          4.50    (#    893:15  Unique         2.90, 3.54 A)
 &rst
  ixpk= 893, nxpk= 15, iat=  -1, 761, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 748, 749,
 &end
#
#   47 ILE  QG2          51 GLU  HN          5.50    (#    894:15  Unique         4.50, 5.20 A)
 &rst
  ixpk= 894, nxpk= 15, iat=  -1, 761, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 704, 705, 706,
 &end
#
#   51 GLU  HN           52 GLU  HN          2.80    (#    896:15  Unique         2.53, 2.65 A)
 &rst
  ixpk= 896, nxpk= 15, iat= 761, 776, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   54 GLY  HN           52 GLU  HN          4.50    (#    897:15  Unique         3.98, 4.10 A)
 &rst
  ixpk= 897, nxpk= 15, iat= 807, 776, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   52 GLU  HA           52 GLU  HN          2.80    (#    898:15  Unique         2.81, 2.83 A)
 &rst
  ixpk= 898, nxpk= 15, iat= 778, 776, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:899     52 GLU  HN          4.50    (#    899:15  Single Ambig)
 &rst
  ixpk= 899, nxpk= 15, iat=  -1, 776, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1= 721, 722, 723,1685,1686,
 &end
#
#   53 VAL  MGX          52 GLU  HN          4.50    (#    900:15  Unique         3.83, 5.80 A)
 &rst
  ixpk= 900, nxpk= 15, iat=  -1, 776, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 797, 798, 799, 801, 802, 803,
 &end
#
#   51 GLU  HN           53 VAL  HN          4.50    (#    901:15  Unique         3.73, 4.00 A)
 &rst
  ixpk= 901, nxpk= 15, iat= 761, 791, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   52 GLU  HN           53 VAL  HN          2.80    (#    902:15  Unique         2.73, 2.81 A)
 &rst
  ixpk= 902, nxpk= 15, iat= 776, 791, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  116 ARG  HD+          53 VAL  HN          5.50    (#    906:15  Unique         5.20, 6.12 A)
 &rst
  ixpk= 906, nxpk= 15, iat=  -1, 791, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1742,1743,
 &end
#
#   55 ILE  HG1-         53 VAL  HN          5.50    (#    907:15  Unique         5.13, 6.28 A)
 &rst
  ixpk= 907, nxpk= 15, iat=  -1, 791, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 824, 825,
 &end
#
#   52 GLU  HN           54 GLY  HN          4.50    (#    909:15  Unique         3.98, 4.10 A)
 &rst
  ixpk= 909, nxpk= 15, iat= 776, 807, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   53 VAL  HB           54 GLY  HN          4.50    (#    911:15  Unique         3.19, 4.36 A)
 &rst
  ixpk= 911, nxpk= 15, iat= 795, 807, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:912     54 GLY  HN          5.50    (#    912:15  Single Ambig)
 &rst
  ixpk= 912, nxpk= 15, iat=  -1, 807, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 768, 769, 765, 766, 783, 784,
 &end
#
#    0 AMB  15-2:913     54 GLY  HN          4.50    (#    913:15  Single Ambig)
 &rst
  ixpk= 913, nxpk= 15, iat=  -1, 807, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 768, 769, 765, 766,
 &end
#
#   55 ILE  HG1-         54 GLY  HN          5.50    (#    914:15  Unique         4.88, 5.77 A)
 &rst
  ixpk= 914, nxpk= 15, iat=  -1, 807, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 824, 825,
 &end
#
#   56 ASP  HN           55 ILE  HN          4.50    (#    916:15  Unique         4.36, 4.44 A)
 &rst
  ixpk= 916, nxpk= 15, iat= 833, 814, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   53 VAL  HB           55 ILE  HN          5.50    (#    918:15  Unique         2.79, 4.86 A)
 &rst
  ixpk= 918, nxpk= 15, iat= 795, 814, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:919     55 ILE  HN          4.50    (#    919:15  Single Ambig)
 &rst
  ixpk= 919, nxpk= 15, iat=  -1, 814, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 765, 766, 768, 769, 751, 752,
 &end
#
#   50 MET  HB-          55 ILE  HN          4.50    (#    920:15  Unique         3.21, 3.92 A)
 &rst
  ixpk= 920, nxpk= 15, iat=  -1, 814, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 748, 749,
 &end
#
#   17 MET  ME           55 ILE  HN          5.50    (#    921:15  Unique         5.26, 6.44 A)
 &rst
  ixpk= 921, nxpk= 15, iat=  -1, 814, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 290, 291, 292,
 &end
#
#   55 ILE  HN           56 ASP  HN          4.50    (#    924:15  Unique         4.36, 4.44 A)
 &rst
  ixpk= 924, nxpk= 15, iat= 814, 833, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   57 ILE  HA           56 ASP  HN          5.50    (#    925:15  Unique         4.76, 5.04 A)
 &rst
  ixpk= 925, nxpk= 15, iat= 847, 833, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   50 MET  HB+          56 ASP  HN          5.50    (#    927:15  Unique         4.48, 5.11 A)
 &rst
  ixpk= 927, nxpk= 15, iat=  -1, 833, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 748, 749,
 &end
#
#   50 MET  HB-          56 ASP  HN          5.50    (#    928:15  Unique         4.48, 5.11 A)
 &rst
  ixpk= 928, nxpk= 15, iat=  -1, 833, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 748, 749,
 &end
#
#   55 ILE  HG1-         56 ASP  HN          4.50    (#    929:15  Unique         3.40, 4.09 A)
 &rst
  ixpk= 929, nxpk= 15, iat=  -1, 833, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 824, 825,
 &end
#
#   55 ILE  HB           56 ASP  HN          4.50    (#    930:15  Unique         4.01, 4.08 A)
 &rst
  ixpk= 930, nxpk= 15, iat= 818, 833, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   57 ILE  QG2          56 ASP  HN          5.50    (#    931:15  Unique         3.97, 5.09 A)
 &rst
  ixpk= 931, nxpk= 15, iat=  -1, 833, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 851, 852, 853,
 &end
#
#   55 ILE  QD1          56 ASP  HN          4.50    (#    932:15  Unique         4.76, 5.47 A)
 &rst
  ixpk= 932, nxpk= 15, iat=  -1, 833, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 827, 828, 829,
 &end
#
#   57 ILE  HA           57 ILE  HN          4.50    (#    933:15  Unique         2.18, 2.89 A)
 &rst
  ixpk= 933, nxpk= 15, iat= 847, 845, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:934     57 ILE  HN          3.50    (#    934:15  Single Ambig)
 &rst
  ixpk= 934, nxpk= 15, iat=  -1, 845, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
 igr1= 849, 751, 752, 889, 890,
 &end
#
#   57 ILE  HG1-         57 ILE  HN          4.50    (#    935:15  Unique         2.28, 2.82 A)
 &rst
  ixpk= 935, nxpk= 15, iat=  -1, 845, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 855, 856,
 &end
#
#   57 ILE  HG1+         57 ILE  HN          3.50    (#    936:15  Unique         2.28, 2.82 A)
 &rst
  ixpk= 936, nxpk= 15, iat=  -1, 845, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 855, 856,
 &end
#
#   57 ILE  QG2          57 ILE  HN          4.50    (#    937:15  Unique         2.54, 3.99 A)
 &rst
  ixpk= 937, nxpk= 15, iat=  -1, 845, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 851, 852, 853,
 &end
#
#   47 ILE  HG1+         57 ILE  HN          5.50    (#    938:15  Unique         2.67, 4.20 A)
 &rst
  ixpk= 938, nxpk= 15, iat=  -1, 845, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 708, 709,
 &end
#
#   37 LEU  MDY          62 SER  HN          4.50    (#    941:15  Unique         1.75, 4.40 A)
 &rst
  ixpk= 941, nxpk= 15, iat=  -1, 913, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 556, 557, 558, 560, 561, 562,
 &end
#
#   37 LEU  MDX          62 SER  HN          4.50    (#    942:15  Unique         1.75, 4.40 A)
 &rst
  ixpk= 942, nxpk= 15, iat=  -1, 913, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 556, 557, 558, 560, 561, 562,
 &end
#
#   47 ILE  HG1+         58 SER  HN          4.50    (#    943:15  Unique         2.95, 3.93 A)
 &rst
  ixpk= 943, nxpk= 15, iat=  -1, 864, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 708, 709,
 &end
#
#   58 SER  HA           59 GLY  HN          4.50    (#    945:15  Unique         2.24, 2.90 A)
 &rst
  ixpk= 945, nxpk= 15, iat= 866, 875, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   58 SER  HB+          59 GLY  HN          4.50    (#    946:15  Unique         2.62, 3.55 A)
 &rst
  ixpk= 946, nxpk= 15, iat=  -1, 875, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 868, 869,
 &end
#
#   60 GLN  HB+          60 GLN  HE2+        3.50    (#    947:15  Unique         1.92, 3.51 A)
 &rst
  ixpk= 947, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 886, 887,
 igr2= 894, 895,
 &end
#
#    0 AMB  15-2:948      0 AMB  15-1:948    4.50    (#    948:15  Double Ambig)
 &rst
  ixpk= 948, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 889, 890, 849,
 igr2= 894, 895, 894, 895,
 &end
#
#    0 AMB  15-2:949      0 AMB  15-1:949    4.50    (#    949:15  Double Ambig)
 &rst
  ixpk= 949, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 886, 887, 313, 314,
 igr2= 894, 895, 894, 895,
 &end
#
#   19 GLU  HB+          60 GLN  HE2+        4.50    (#    950:15  Unique         1.88, 3.20 A)
 &rst
  ixpk= 950, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 310, 311,
 igr2= 894, 895,
 &end
#
#   59 GLY  HN           60 GLN  HN          3.50    (#    953:15  Unique         2.62, 2.95 A)
 &rst
  ixpk= 953, nxpk= 15, iat= 875, 882, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   61 THR  HN           60 GLN  HN          4.50    (#    954:15  Unique         2.67, 3.89 A)
 &rst
  ixpk= 954, nxpk= 15, iat= 899, 882, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   58 SER  HA           60 GLN  HN          5.50    (#    955:15  Unique         3.05, 3.44 A)
 &rst
  ixpk= 955, nxpk= 15, iat= 866, 882, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:956     60 GLN  HN          4.50    (#    956:15  Single Ambig)
 &rst
  ixpk= 956, nxpk= 15, iat=  -1, 882, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 868, 869, 629,
 &end
#
#   59 GLY  HA-          60 GLN  HN          4.50    (#    957:15  Unique         2.89, 3.35 A)
 &rst
  ixpk= 957, nxpk= 15, iat=  -1, 882, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 877, 878,
 &end
#
#   62 SER  HN           61 THR  HN          4.50    (#    958:15  Unique         4.15, 4.45 A)
 &rst
  ixpk= 958, nxpk= 15, iat= 913, 899, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   60 GLN  HN           61 THR  HN          5.50    (#    959:15  Unique         2.67, 3.89 A)
 &rst
  ixpk= 959, nxpk= 15, iat= 882, 899, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   61 THR  HB           61 THR  HN          4.50    (#    960:15  Unique         3.41, 3.69 A)
 &rst
  ixpk= 960, nxpk= 15, iat= 903, 899, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   60 GLN  HG+          61 THR  HN          4.50    (#    961:15  Unique         1.72, 4.23 A)
 &rst
  ixpk= 961, nxpk= 15, iat=  -1, 899, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 889, 890,
 &end
#
#   60 GLN  HB-          61 THR  HN          4.50    (#    962:15  Unique         1.94, 3.23 A)
 &rst
  ixpk= 962, nxpk= 15, iat=  -1, 899, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 886, 887,
 &end
#
#   62 SER  HA           62 SER  HN          5.50    (#    964:15  Unique         2.20, 2.73 A)
 &rst
  ixpk= 964, nxpk= 15, iat= 915, 913, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:966     63 ASP  HN          3.50    (#    966:15  Single Ambig)
 &rst
  ixpk= 966, nxpk= 15, iat=  -1, 924, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 915, 926,
 &end
#
#   63 ASP  HB+          63 ASP  HN          5.50    (#    968:15  Unique         2.07, 3.03 A)
 &rst
  ixpk= 968, nxpk= 15, iat=  -1, 924, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 928, 929,
 &end
#
#   65 ILE  QD1          65 ILE  HN          5.50    (#    969:15  Unique         4.77, 5.39 A)
 &rst
  ixpk= 969, nxpk= 15, iat=  -1, 950, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 963, 964, 965,
 &end
#
#   66 GLU  HB+          65 ILE  HN          4.50    (#    970:15  Unique         4.54, 5.43 A)
 &rst
  ixpk= 970, nxpk= 15, iat=  -1, 950, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 973, 974,
 &end
#
#   64 PRO  HB+          65 ILE  HN          5.50    (#    971:15  Unique         2.23, 3.22 A)
 &rst
  ixpk= 971, nxpk= 15, iat=  -1, 950, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 943, 944,
 &end
#
#   65 ILE  HA           65 ILE  HN          2.80    (#    972:15  Unique         2.81, 2.84 A)
 &rst
  ixpk= 972, nxpk= 15, iat= 952, 950, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   67 ASN  HN           66 GLU  HN          2.80    (#    975:15  Unique         2.75, 2.81 A)
 &rst
  ixpk= 975, nxpk= 15, iat= 984, 969, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   65 ILE  HA           66 GLU  HN          3.50    (#    976:15  Unique         3.53, 3.54 A)
 &rst
  ixpk= 976, nxpk= 15, iat= 952, 969, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   65 ILE  HB           66 GLU  HN          5.50    (#    977:15  Unique         3.96, 4.01 A)
 &rst
  ixpk= 977, nxpk= 15, iat= 954, 969, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   65 ILE  HG1-         66 GLU  HN          5.50    (#    978:15  Unique         3.89, 4.53 A)
 &rst
  ixpk= 978, nxpk= 15, iat=  -1, 969, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 960, 961,
 &end
#
#   66 GLU  HB+          67 ASN  HN          4.50    (#    979:15  Unique         3.19, 3.71 A)
 &rst
  ixpk= 979, nxpk= 15, iat=  -1, 984, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 973, 974,
 &end
#
#   66 GLU  HA           67 ASN  HN          3.50    (#    980:15  Unique         3.33, 3.46 A)
 &rst
  ixpk= 980, nxpk= 15, iat= 971, 984, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   67 ASN  HA           67 ASN  HN          2.80    (#    981:15  Unique         2.93, 2.95 A)
 &rst
  ixpk= 981, nxpk= 15, iat= 986, 984, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   68 PHE  HD           67 ASN  HN          5.50    (#    982:15  Unique         2.89, 5.28 A)
 &rst
  ixpk= 982, nxpk= 15, iat=  -1, 984, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1006,1014,
 &end
#
#   68 PHE  HN           67 ASN  HN          2.80    (#    983:15  Unique         2.29, 2.42 A)
 &rst
  ixpk= 983, nxpk= 15, iat= 998, 984, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   66 GLU  HN           67 ASN  HN          2.80    (#    984:15  Unique         2.75, 2.81 A)
 &rst
  ixpk= 984, nxpk= 15, iat= 969, 984, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   69 ASN  HN           68 PHE  HN          5.50    (#    985:15  Unique         4.50, 4.53 A)
 &rst
  ixpk= 985, nxpk= 15, iat=1018, 998, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   67 ASN  HN           68 PHE  HN          2.80    (#    986:15  Unique         2.29, 2.42 A)
 &rst
  ixpk= 986, nxpk= 15, iat= 984, 998, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   66 GLU  HA           68 PHE  HN          3.50    (#    987:15  Unique         3.69, 3.79 A)
 &rst
  ixpk= 987, nxpk= 15, iat= 971, 998, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   67 ASN  HA           68 PHE  HN          3.50    (#    988:15  Unique         3.30, 3.42 A)
 &rst
  ixpk= 988, nxpk= 15, iat= 986, 998, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   68 PHE  HA           68 PHE  HN          2.80    (#    989:15  Unique         2.93, 2.96 A)
 &rst
  ixpk= 989, nxpk= 15, iat=1000, 998, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   68 PHE  HB-          68 PHE  HN          3.50    (#    990:15  Unique         2.31, 2.98 A)
 &rst
  ixpk= 990, nxpk= 15, iat=  -1, 998, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1002,1003,
 &end
#
#   68 PHE  HB+          68 PHE  HN          4.50    (#    991:15  Unique         2.31, 2.98 A)
 &rst
  ixpk= 991, nxpk= 15, iat=  -1, 998, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1002,1003,
 &end
#
#    0 AMB  15-2:992     68 PHE  HN          4.50    (#    992:15  Single Ambig)
 &rst
  ixpk= 992, nxpk= 15, iat=  -1, 998, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 988, 989, 533, 534,
 &end
#
#   70 ALA  HN           69 ASN  HN          4.50    (#    994:15  Unique         3.40, 3.58 A)
 &rst
  ixpk= 994, nxpk= 15, iat=1032,1018, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   68 PHE  HN           69 ASN  HN          4.50    (#    995:15  Unique         4.50, 4.53 A)
 &rst
  ixpk= 995, nxpk= 15, iat= 998,1018, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   72 ASP  HN           69 ASN  HN          5.50    (#    996:15  Unique         4.51, 4.82 A)
 &rst
  ixpk= 996, nxpk= 15, iat=1054,1018, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   69 ASN  HD2+         69 ASN  HN          5.50    (#    997:15  Unique         2.96, 3.87 A)
 &rst
  ixpk= 997, nxpk= 15, iat=  -1,1018, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1027,1028,
 &end
#
#   90 TRP  HH2          69 ASN  HN          5.50    (#    999:15  Unique         5.51, 5.55 A)
 &rst
  ixpk= 999, nxpk= 15, iat=1323,1018, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   69 ASN  HA           69 ASN  HN          3.50    (#   1000:15  Unique         2.94, 2.97 A)
 &rst
  ixpk= 1000, nxpk= 15, iat=1020,1018, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   72 ASP  HB-          69 ASN  HN          5.50    (#   1002:15  Unique         4.17, 4.86 A)
 &rst
  ixpk= 1002, nxpk= 15, iat=  -1,1018, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1058,1059,
 &end
#
#    5 MET  ME           69 ASN  HN          5.50    (#   1003:15  Unique         3.40, 5.54 A)
 &rst
  ixpk= 1003, nxpk= 15, iat=  -1,1018, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=  92,  93,  94,
 &end
#
#   69 ASN  HN           70 ALA  HN          4.50    (#   1004:15  Unique         3.40, 3.58 A)
 &rst
  ixpk= 1004, nxpk= 15, iat=1018,1032, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   90 TRP  HE1          70 ALA  HN          4.50    (#   1005:15  Unique         3.26, 3.40 A)
 &rst
  ixpk= 1005, nxpk= 15, iat=1318,1032, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   72 ASP  HN           70 ALA  HN          4.50    (#   1006:15  Unique         4.32, 4.45 A)
 &rst
  ixpk= 1006, nxpk= 15, iat=1054,1032, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   90 TRP  HE3          70 ALA  HN          5.50    (#   1007:15  Unique         5.55, 5.61 A)
 &rst
  ixpk= 1007, nxpk= 15, iat=1327,1032, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:1008    70 ALA  HN          4.50    (#   1008:15  Single Ambig)
 &rst
  ixpk= 1008, nxpk= 15, iat=  -1,1032, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1=1027,1028,1316,1074,1083,
 &end
#
#   90 TRP  HH2          70 ALA  HN          5.50    (#   1009:15  Unique         4.65, 4.91 A)
 &rst
  ixpk= 1009, nxpk= 15, iat=1323,1032, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   90 TRP  HA           70 ALA  HN          5.50    (#   1010:15  Unique         4.79, 4.88 A)
 &rst
  ixpk= 1010, nxpk= 15, iat=1310,1032, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   69 ASN  HB+          70 ALA  HN          4.50    (#   1011:15  Unique         4.15, 4.47 A)
 &rst
  ixpk= 1011, nxpk= 15, iat=  -1,1032, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1022,1023,
 &end
#
#   71 ASP  HB+          70 ALA  HN          5.50    (#   1012:15  Unique         4.48, 5.09 A)
 &rst
  ixpk= 1012, nxpk= 15, iat=  -1,1032, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1046,1047,
 &end
#
#   89 GLU  HG+          70 ALA  HN          4.50    (#   1013:15  Unique         3.12, 3.94 A)
 &rst
  ixpk= 1013, nxpk= 15, iat=  -1,1032, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1300,1301,
 &end
#
#   70 ALA  HN           71 ASP  HN          2.80    (#   1015:15  Unique         2.70, 2.82 A)
 &rst
  ixpk= 1015, nxpk= 15, iat=1032,1042, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   72 ASP  HN           71 ASP  HN          2.80    (#   1016:15  Unique         2.70, 2.76 A)
 &rst
  ixpk= 1016, nxpk= 15, iat=1054,1042, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   69 ASN  HD2+         71 ASP  HN          4.50    (#   1017:15  Unique         3.34, 4.59 A)
 &rst
  ixpk= 1017, nxpk= 15, iat=  -1,1042, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1027,1028,
 &end
#
#   69 ASN  HD2-         71 ASP  HN          4.50    (#   1018:15  Unique         3.34, 4.59 A)
 &rst
  ixpk= 1018, nxpk= 15, iat=  -1,1042, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1027,1028,
 &end
#
#   93 GLN  HE2-         71 ASP  HN          4.50    (#   1019:15  Unique         3.68, 4.14 A)
 &rst
  ixpk= 1019, nxpk= 15, iat=  -1,1042, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1374,1375,
 &end
#
#    0 AMB  15-2:1020    71 ASP  HN          5.50    (#   1020:15  Single Ambig)
 &rst
  ixpk= 1020, nxpk= 15, iat=  -1,1042, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1058,1059,1269,1270,
 &end
#
#   93 GLN  HG-          71 ASP  HN          5.50    (#   1021:15  Unique         6.16, 6.62 A)
 &rst
  ixpk= 1021, nxpk= 15, iat=  -1,1042, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1369,1370,
 &end
#
#   89 GLU  HB-          71 ASP  HN          5.50    (#   1022:15  Unique         1.69, 2.44 A)
 &rst
  ixpk= 1022, nxpk= 15, iat=  -1,1042, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1297,1298,
 &end
#
#   69 ASN  HN           72 ASP  HN          5.50    (#   1023:15  Unique         4.51, 4.82 A)
 &rst
  ixpk= 1023, nxpk= 15, iat=1018,1054, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   70 ALA  HN           72 ASP  HN          4.50    (#   1024:15  Unique         4.32, 4.45 A)
 &rst
  ixpk= 1024, nxpk= 15, iat=1032,1054, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   71 ASP  HN           72 ASP  HN          2.80    (#   1025:15  Unique         2.70, 2.76 A)
 &rst
  ixpk= 1025, nxpk= 15, iat=1042,1054, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   93 GLN  HE2+         72 ASP  HN          5.50    (#   1026:15  Unique         4.24, 4.95 A)
 &rst
  ixpk= 1026, nxpk= 15, iat=  -1,1054, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1374,1375,
 &end
#
#   69 ASN  HA           72 ASP  HN          4.50    (#   1027:15  Unique         4.54, 4.59 A)
 &rst
  ixpk= 1027, nxpk= 15, iat=1020,1054, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   70 ALA  HA           72 ASP  HN          4.50    (#   1028:15  Unique         3.56, 3.75 A)
 &rst
  ixpk= 1028, nxpk= 15, iat=1034,1054, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   70 ALA  MB           72 ASP  HN          4.50    (#   1029:15  Unique         5.06, 5.30 A)
 &rst
  ixpk= 1029, nxpk= 15, iat=  -1,1054, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1036,1037,1038,
 &end
#
#   74 ASP  HN           73 TYR  HN          4.50    (#   1030:15  Unique         4.50, 4.53 A)
 &rst
  ixpk= 1030, nxpk= 15, iat=1087,1066, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:1032    73 TYR  HN          5.50    (#   1032:15  Single Ambig)
 &rst
  ixpk= 1032, nxpk= 15, iat=  -1,1066, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1089,  67,
 &end
#
#    0 AMB  15-2:1033    73 TYR  HN          4.50    (#   1033:15  Single Ambig)
 &rst
  ixpk= 1033, nxpk= 15, iat=  -1,1066, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1369,1370,1046,1047,
 &end
#
#   72 ASP  HB-          73 TYR  HN          4.50    (#   1034:15  Unique         3.15, 3.75 A)
 &rst
  ixpk= 1034, nxpk= 15, iat=  -1,1066, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1058,1059,
 &end
#
#   70 ALA  HA           73 TYR  HN          4.50    (#   1035:15  Unique         3.51, 3.55 A)
 &rst
  ixpk= 1035, nxpk= 15, iat=1034,1066, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:1036    73 TYR  HN          4.50    (#   1036:15  Single Ambig)
 &rst
  ixpk= 1036, nxpk= 15, iat=  -1,1066, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=  47,  48,1297,1298,
 &end
#
#   76 VAL  MGX          73 TYR  HN          5.50    (#   1037:15  Unique         5.09, 7.43 A)
 &rst
  ixpk= 1037, nxpk= 15, iat=  -1,1066, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1121,1122,1123,1125,1126,1127,
 &end
#
#   70 ALA  MB           73 TYR  HN          5.50    (#   1038:15  Unique         4.49, 5.20 A)
 &rst
  ixpk= 1038, nxpk= 15, iat=  -1,1066, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1036,1037,1038,
 &end
#
#   75 VAL  HN           74 ASP  HN          2.80    (#   1039:15  Unique         2.07, 2.26 A)
 &rst
  ixpk= 1039, nxpk= 15, iat=1099,1087, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   73 TYR  HN           74 ASP  HN          4.50    (#   1040:15  Unique         4.50, 4.53 A)
 &rst
  ixpk= 1040, nxpk= 15, iat=1066,1087, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   73 TYR  HD           74 ASP  HN          4.50    (#   1041:15  Unique         3.98, 4.81 A)
 &rst
  ixpk= 1041, nxpk= 15, iat=  -1,1087, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1074,1083,
 &end
#
#    0 AMB  15-2:1042    74 ASP  HN          4.50    (#   1042:15  Single Ambig)
 &rst
  ixpk= 1042, nxpk= 15, iat=  -1,1087, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=  23,1364,
 &end
#
#    0 AMB  15-2:1045    74 ASP  HN          5.50    (#   1045:15  Single Ambig)
 &rst
  ixpk= 1045, nxpk= 15, iat=  -1,1087, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1369,1370,1383,1384,
 &end
#
#   75 VAL  HB           74 ASP  HN          4.50    (#   1046:15  Unique         4.40, 4.50 A)
 &rst
  ixpk= 1046, nxpk= 15, iat=1103,1087, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    3 LYS  HG-          74 ASP  HN          4.50    (#   1047:15  Unique         3.80, 4.51 A)
 &rst
  ixpk= 1047, nxpk= 15, iat=  -1,1087, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=  50,  51,
 &end
#
#   75 VAL  MGX          74 ASP  HN          5.50    (#   1048:15  Unique         4.25, 6.04 A)
 &rst
  ixpk= 1048, nxpk= 15, iat=  -1,1087, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1105,1106,1107,1109,1110,1111,
 &end
#
#    0 AMB  15-2:1049    74 ASP  HN          4.50    (#   1049:15  Single Ambig)
 &rst
  ixpk= 1049, nxpk= 15, iat=  -1,1087, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1105,1106,1107,1109,1110,1111,  71,  72,  73,  75,
        76,  77,
 &end
#
#    3 LYS  HN           75 VAL  HN          4.50    (#   1050:15  Unique         4.01, 4.21 A)
 &rst
  ixpk= 1050, nxpk= 15, iat=  43,1099, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    5 MET  HN           75 VAL  HN          4.50    (#   1051:15  Unique         4.43, 4.52 A)
 &rst
  ixpk= 1051, nxpk= 15, iat=  81,1099, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   74 ASP  HN           75 VAL  HN          2.80    (#   1052:15  Unique         2.07, 2.26 A)
 &rst
  ixpk= 1052, nxpk= 15, iat=1087,1099, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:1053    75 VAL  HN          4.50    (#   1053:15  Single Ambig)
 &rst
  ixpk= 1053, nxpk= 15, iat=  -1,1099, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=  25,  26,  50,  51,  53,  54,1404,1405,
 &end
#
#   76 VAL  MGX          75 VAL  HN          4.50    (#   1054:15  Unique         4.11, 6.39 A)
 &rst
  ixpk= 1054, nxpk= 15, iat=  -1,1099, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1121,1122,1123,1125,1126,1127,
 &end
#
#    0 AMB  15-2:1055    75 VAL  HN          5.50    (#   1055:15  Single Ambig)
 &rst
  ixpk= 1055, nxpk= 15, iat=  -1,1099, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=  85,  86,1911,1912,1913,1915,1916,1917,
 &end
#
#    4 VAL  MGX          75 VAL  HN          4.50    (#   1056:15  Unique         4.03, 5.31 A)
 &rst
  ixpk= 1056, nxpk= 15, iat=  -1,1099, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=  71,  72,  73,  75,  76,  77,
 &end
#
#    5 MET  HN           76 VAL  HN          5.50    (#   1057:15  Unique         4.61, 4.79 A)
 &rst
  ixpk= 1057, nxpk= 15, iat=  81,1115, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   95 ILE  HN           76 VAL  HN          4.50    (#   1058:15  Unique         3.78, 3.88 A)
 &rst
  ixpk= 1058, nxpk= 15, iat=1394,1115, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   97 GLU  HN           76 VAL  HN          5.50    (#   1059:15  Unique         3.82, 4.00 A)
 &rst
  ixpk= 1059, nxpk= 15, iat=1433,1115, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   96 PHE  HD           76 VAL  HN          4.50    (#   1060:15  Unique         3.91, 5.79 A)
 &rst
  ixpk= 1060, nxpk= 15, iat=  -1,1115, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1421,1429,
 &end
#
#    0 AMB  15-2:1061    76 VAL  HN          4.50    (#   1061:15  Single Ambig)
 &rst
  ixpk= 1061, nxpk= 15, iat=  -1,1115, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1133,1396,
 &end
#
#    0 AMB  15-2:1062    76 VAL  HN          5.50    (#   1062:15  Single Ambig)
 &rst
  ixpk= 1062, nxpk= 15, iat=  -1,1115, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1070,1071,1091,1092,
 &end
#
#   93 GLN  HG+          76 VAL  HN          5.50    (#   1063:15  Unique         3.17, 4.37 A)
 &rst
  ixpk= 1063, nxpk= 15, iat=  -1,1115, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1369,1370,
 &end
#
#    0 AMB  15-2:1064    76 VAL  HN          4.50    (#   1064:15  Single Ambig)
 &rst
  ixpk= 1064, nxpk= 15, iat=  -1,1115, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1103,1437,1438,
 &end
#
#    0 AMB  15-2:1065    76 VAL  HN          5.50    (#   1065:15  Single Ambig)
 &rst
  ixpk= 1065, nxpk= 15, iat=  -1,1115, r1= 0.00, r2= 1.80, r3= 8.07, r4= 8.82,
 igr1=1911,1912,1913,1915,1916,1917,1404,1405,  88,  89,
      
 &end
#
#   77 ILE  QD1          76 VAL  HN          4.50    (#   1066:15  Unique         3.88, 5.00 A)
 &rst
  ixpk= 1066, nxpk= 15, iat=  -1,1115, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1144,1145,1146,
 &end
#
#    6 PHE  HD           77 ILE  HN          5.50    (#   1068:15  Unique         2.87, 5.46 A)
 &rst
  ixpk= 1068, nxpk= 15, iat=  -1,1131, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 106, 114,
 &end
#
#    6 PHE  HA           77 ILE  HN          4.50    (#   1069:15  Unique         3.05, 3.29 A)
 &rst
  ixpk= 1069, nxpk= 15, iat= 100,1131, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   77 ILE  HA           77 ILE  HN          4.50    (#   1070:15  Unique         2.95, 2.97 A)
 &rst
  ixpk= 1070, nxpk= 15, iat=1133,1131, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    5 MET  HB+          77 ILE  HN          4.50    (#   1071:15  Unique         3.41, 4.50 A)
 &rst
  ixpk= 1071, nxpk= 15, iat=  -1,1131, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=  85,  86,
 &end
#
#   76 VAL  MGX          77 ILE  HN          4.50    (#   1072:15  Unique         3.01, 4.33 A)
 &rst
  ixpk= 1072, nxpk= 15, iat=  -1,1131, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1121,1122,1123,1125,1126,1127,
 &end
#
#   77 ILE  HG1+         77 ILE  HN          4.50    (#   1075:15  Unique         2.95, 3.73 A)
 &rst
  ixpk= 1075, nxpk= 15, iat=  -1,1131, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1141,1142,
 &end
#
#   77 ILE  QG2          77 ILE  HN          4.50    (#   1077:15  Unique         4.22, 4.60 A)
 &rst
  ixpk= 1077, nxpk= 15, iat=  -1,1131, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1137,1138,1139,
 &end
#
#   99 TRP  HN           78 SER  HN          5.50    (#   1078:15  Unique         3.89, 4.25 A)
 &rst
  ixpk= 1078, nxpk= 15, iat=1460,1150, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   96 PHE  HD           78 SER  HN          4.50    (#   1079:15  Unique         3.19, 5.72 A)
 &rst
  ixpk= 1079, nxpk= 15, iat=  -1,1150, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1421,1429,
 &end
#
#   78 SER  HA           78 SER  HN          4.50    (#   1080:15  Unique         2.87, 2.94 A)
 &rst
  ixpk= 1080, nxpk= 15, iat=1152,1150, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   78 SER  HB+          78 SER  HN          3.50    (#   1081:15  Unique         2.30, 2.98 A)
 &rst
  ixpk= 1081, nxpk= 15, iat=  -1,1150, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1154,1155,
 &end
#
#    0 AMB  15-2:1082    78 SER  HN          5.50    (#   1082:15  Single Ambig)
 &rst
  ixpk= 1082, nxpk= 15, iat=  -1,1150, r1= 0.00, r2= 1.80, r3= 8.54, r4= 9.29,
 igr1= 124, 125, 126, 128, 129, 130,1255,1256,1257,1259,
      1260,1261,1141,1142,
 &end
#
#   77 ILE  QD1          78 SER  HN          4.50    (#   1083:15  Unique         4.39, 5.07 A)
 &rst
  ixpk= 1083, nxpk= 15, iat=  -1,1150, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1144,1145,1146,
 &end
#
#    0 AMB  15-2:1084    78 SER  HN          4.50    (#   1084:15  Single Ambig)
 &rst
  ixpk= 1084, nxpk= 15, iat=  -1,1150, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1170,1171,1172,1174,1175,1176,1255,1256,1257,1259,
      1260,1261,
 &end
#
#   81 GLY  HN           79 LEU  HN          4.50    (#   1085:15  Unique         3.32, 4.29 A)
 &rst
  ixpk= 1085, nxpk= 15, iat=1191,1161, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   80 CYS  HN           79 LEU  HN          5.50    (#   1086:15  Unique         1.86, 2.46 A)
 &rst
  ixpk= 1086, nxpk= 15, iat=1180,1161, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   79 LEU  HN           80 CYS  HN          4.50    (#   1089:15  Unique         1.86, 2.46 A)
 &rst
  ixpk= 1089, nxpk= 15, iat=1161,1180, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   81 GLY  HN           80 CYS  HN          4.50    (#   1090:15  Unique         1.60, 2.32 A)
 &rst
  ixpk= 1090, nxpk= 15, iat=1191,1180, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   79 LEU  HA           80 CYS  HN          4.50    (#   1092:15  Unique         2.19, 2.72 A)
 &rst
  ixpk= 1092, nxpk= 15, iat=1163,1180, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   80 CYS  HB-          80 CYS  HN          4.50    (#   1094:15  Unique         2.44, 3.26 A)
 &rst
  ixpk= 1094, nxpk= 15, iat=  -1,1180, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1184,1185,
 &end
#
#   80 CYS  HB+          80 CYS  HN          5.50    (#   1095:15  Unique         2.44, 3.26 A)
 &rst
  ixpk= 1095, nxpk= 15, iat=  -1,1180, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1184,1185,
 &end
#
#   81 GLY  HA+          81 GLY  HN          3.50    (#   1097:15  Unique         2.24, 2.60 A)
 &rst
  ixpk= 1097, nxpk= 15, iat=  -1,1191, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1193,1194,
 &end
#
#   80 CYS  HN           81 GLY  HN          4.50    (#   1098:15  Unique         1.60, 2.32 A)
 &rst
  ixpk= 1098, nxpk= 15, iat=1180,1191, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   82 CYS  HN           81 GLY  HN          4.50    (#   1099:15  Unique         1.76, 2.43 A)
 &rst
  ixpk= 1099, nxpk= 15, iat=1198,1191, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   78 SER  HB-          81 GLY  HN          5.50    (#   1100:15  Unique         2.56, 5.26 A)
 &rst
  ixpk= 1100, nxpk= 15, iat=  -1,1191, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1154,1155,
 &end
#
#   80 CYS  HA           81 GLY  HN          5.50    (#   1101:15  Unique         2.80, 3.27 A)
 &rst
  ixpk= 1101, nxpk= 15, iat=1182,1191, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   80 CYS  HB+          81 GLY  HN          5.50    (#   1103:15  Unique         3.02, 4.12 A)
 &rst
  ixpk= 1103, nxpk= 15, iat=  -1,1191, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1184,1185,
 &end
#
#   81 GLY  HN           82 CYS  HN          4.50    (#   1105:15  Unique         1.76, 2.43 A)
 &rst
  ixpk= 1105, nxpk= 15, iat=1191,1198, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   99 TRP  HN           82 CYS  HN          5.50    (#   1106:15  Unique         4.89, 5.42 A)
 &rst
  ixpk= 1106, nxpk= 15, iat=1460,1198, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   83 GLY  HN           82 CYS  HN          4.50    (#   1107:15  Unique         2.75, 3.20 A)
 &rst
  ixpk= 1107, nxpk= 15, iat=1209,1198, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   84 VAL  HN           83 GLY  HN          4.50    (#   1109:15  Unique         1.83, 2.40 A)
 &rst
  ixpk= 1109, nxpk= 15, iat=1216,1209, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   82 CYS  HN           83 GLY  HN          5.50    (#   1110:15  Unique         2.75, 3.20 A)
 &rst
  ixpk= 1110, nxpk= 15, iat=1198,1209, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   83 GLY  HA+          83 GLY  HN          3.50    (#   1112:15  Unique         2.29, 2.72 A)
 &rst
  ixpk= 1112, nxpk= 15, iat=  -1,1209, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1211,1212,
 &end
#
#   82 CYS  HB+          83 GLY  HN          4.50    (#   1113:15  Unique         2.92, 4.18 A)
 &rst
  ixpk= 1113, nxpk= 15, iat=  -1,1209, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1202,1203,
 &end
#
#   85 ASN  HN           84 VAL  HN          4.50    (#   1115:15  Unique         2.36, 4.36 A)
 &rst
  ixpk= 1115, nxpk= 15, iat=1232,1216, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   85 ASN  HA           84 VAL  HN          5.50    (#   1117:15  Unique         4.40, 5.22 A)
 &rst
  ixpk= 1117, nxpk= 15, iat=1234,1216, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   80 CYS  HB-          84 VAL  HN          4.50    (#   1118:15  Unique         3.17, 4.36 A)
 &rst
  ixpk= 1118, nxpk= 15, iat=  -1,1216, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1184,1185,
 &end
#
#   80 CYS  HB+          84 VAL  HN          4.50    (#   1119:15  Unique         3.17, 4.36 A)
 &rst
  ixpk= 1119, nxpk= 15, iat=  -1,1216, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1184,1185,
 &end
#
#   86 LEU  HN           85 ASN  HN          4.50    (#   1120:15  Unique         3.07, 4.19 A)
 &rst
  ixpk= 1120, nxpk= 15, iat=1246,1232, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   85 ASN  HD2-         85 ASN  HN          5.50    (#   1121:15  Unique         3.73, 4.84 A)
 &rst
  ixpk= 1121, nxpk= 15, iat=  -1,1232, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1241,1242,
 &end
#
#   84 VAL  HN           85 ASN  HN          4.50    (#   1122:15  Unique         2.36, 4.36 A)
 &rst
  ixpk= 1122, nxpk= 15, iat=1216,1232, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   90 TRP  HD1          89 GLU  HN          4.50    (#   1126:15  Unique         2.97, 3.20 A)
 &rst
  ixpk= 1126, nxpk= 15, iat=1316,1293, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   90 TRP  HB-          89 GLU  HN          4.50    (#   1127:15  Unique         4.68, 5.40 A)
 &rst
  ixpk= 1127, nxpk= 15, iat=  -1,1293, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1312,1313,
 &end
#
#    0 AMB  15-2:1128    89 GLU  HN          5.50    (#   1128:15  Single Ambig)
 &rst
  ixpk= 1128, nxpk= 15, iat=  -1,1293, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1312,1313,1266,1267,
 &end
#
#   87 PRO  HB+          89 GLU  HN          4.50    (#   1129:15  Unique         2.63, 3.78 A)
 &rst
  ixpk= 1129, nxpk= 15, iat=  -1,1293, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1272,1273,
 &end
#
#   91 VAL  MGX          89 GLU  HN          5.50    (#   1130:15  Unique         4.26, 6.29 A)
 &rst
  ixpk= 1130, nxpk= 15, iat=  -1,1293, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1338,1339,1340,1342,1343,1344,
 &end
#
#   70 ALA  MB           89 GLU  HN          4.50    (#   1131:15  Unique         4.69, 5.77 A)
 &rst
  ixpk= 1131, nxpk= 15, iat=  -1,1293, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1036,1037,1038,
 &end
#
#    0 AMB  15-2:1132     0 AMB  15-1:1132   5.50    (#   1132:15  Double Ambig)
 &rst
  ixpk= 1132, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 656,1374,1375,
 igr2= 698,1308,
 &end
#
#    0 AMB  15-2:1133     0 AMB  15-1:1133   5.50    (#   1133:15  Double Ambig)
 &rst
  ixpk= 1133, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 678,1417,1418,
 igr2= 698,1308,
 &end
#
#   89 GLU  HN           91 VAL  HN          5.50    (#   1134:15  Unique         4.12, 4.37 A)
 &rst
  ixpk= 1134, nxpk= 15, iat=1293,1332, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:1136    91 VAL  HN          4.50    (#   1136:15  Single Ambig)
 &rst
  ixpk= 1136, nxpk= 15, iat=  -1,1332, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1352,1350,
 &end
#
#   89 GLU  HA           91 VAL  HN          4.50    (#   1137:15  Unique         3.74, 4.04 A)
 &rst
  ixpk= 1137, nxpk= 15, iat=1295,1332, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   90 TRP  HB+          91 VAL  HN          4.50    (#   1138:15  Unique         3.26, 3.89 A)
 &rst
  ixpk= 1138, nxpk= 15, iat=  -1,1332, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1312,1313,
 &end
#
#   90 TRP  HB-          91 VAL  HN          4.50    (#   1139:15  Unique         3.26, 3.89 A)
 &rst
  ixpk= 1139, nxpk= 15, iat=  -1,1332, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1312,1313,
 &end
#
#   93 GLN  HG-          91 VAL  HN          5.50    (#   1140:15  Unique         3.50, 4.54 A)
 &rst
  ixpk= 1140, nxpk= 15, iat=  -1,1332, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1369,1370,
 &end
#
#   91 VAL  HB           91 VAL  HN          4.50    (#   1141:15  Unique         2.32, 3.55 A)
 &rst
  ixpk= 1141, nxpk= 15, iat=1336,1332, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   86 LEU  HB+          91 VAL  HN          5.50    (#   1142:15  Unique         4.87, 5.65 A)
 &rst
  ixpk= 1142, nxpk= 15, iat=  -1,1332, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1250,1251,
 &end
#
#   86 LEU  HB-          91 VAL  HN          5.50    (#   1143:15  Unique         4.87, 5.65 A)
 &rst
  ixpk= 1143, nxpk= 15, iat=  -1,1332, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1250,1251,
 &end
#
#   92 THR  MG2          91 VAL  HN          4.50    (#   1144:15  Unique         2.52, 4.55 A)
 &rst
  ixpk= 1144, nxpk= 15, iat=  -1,1332, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1354,1355,1356,
 &end
#
#   70 ALA  MB           91 VAL  HN          5.50    (#   1145:15  Unique         4.96, 5.67 A)
 &rst
  ixpk= 1145, nxpk= 15, iat=  -1,1332, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1036,1037,1038,
 &end
#
#   89 GLU  HA           92 THR  HN          3.50    (#   1147:15  Unique         3.67, 4.01 A)
 &rst
  ixpk= 1147, nxpk= 15, iat=1295,1348, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   90 TRP  HB-          92 THR  HN          5.50    (#   1148:15  Unique         5.32, 5.68 A)
 &rst
  ixpk= 1148, nxpk= 15, iat=  -1,1348, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1312,1313,
 &end
#
#   93 GLN  HG-          92 THR  HN          4.50    (#   1149:15  Unique         2.74, 3.81 A)
 &rst
  ixpk= 1149, nxpk= 15, iat=  -1,1348, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1369,1370,
 &end
#
#    0 AMB  15-2:1150    92 THR  HN          5.50    (#   1150:15  Single Ambig)
 &rst
  ixpk= 1150, nxpk= 15, iat=  -1,1348, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1366,1367,1297,1298,
 &end
#
#   91 VAL  HB           92 THR  HN          4.50    (#   1151:15  Unique         2.89, 4.13 A)
 &rst
  ixpk= 1151, nxpk= 15, iat=1336,1348, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   91 VAL  MGY          92 THR  HN          4.50    (#   1152:15  Unique         2.66, 4.70 A)
 &rst
  ixpk= 1152, nxpk= 15, iat=  -1,1348, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1338,1339,1340,1342,1343,1344,
 &end
#
#   94 GLU  HN           93 GLN  HN          4.50    (#   1153:15  Unique         4.45, 4.52 A)
 &rst
  ixpk= 1153, nxpk= 15, iat=1379,1362, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   93 GLN  HE2+         93 GLN  HN          4.50    (#   1155:15  Unique         2.16, 3.28 A)
 &rst
  ixpk= 1155, nxpk= 15, iat=  -1,1362, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1374,1375,
 &end
#
#   93 GLN  HE2-         93 GLN  HN          5.50    (#   1156:15  Unique         2.16, 3.28 A)
 &rst
  ixpk= 1156, nxpk= 15, iat=  -1,1362, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1374,1375,
 &end
#
#   74 ASP  HA           93 GLN  HN          5.50    (#   1157:15  Unique         5.55, 5.61 A)
 &rst
  ixpk= 1157, nxpk= 15, iat=1089,1362, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   90 TRP  HA           93 GLN  HN          5.50    (#   1158:15  Unique         4.70, 5.12 A)
 &rst
  ixpk= 1158, nxpk= 15, iat=1310,1362, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:1159    93 GLN  HN          4.50    (#   1159:15  Single Ambig)
 &rst
  ixpk= 1159, nxpk= 15, iat=  -1,1362, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1334,1044,
 &end
#
#    0 AMB  15-2:1160    93 GLN  HN          5.50    (#   1160:15  Single Ambig)
 &rst
  ixpk= 1160, nxpk= 15, iat=  -1,1362, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1381,1295,
 &end
#
#   96 PHE  HB+          93 GLN  HN          5.50    (#   1161:15  Unique         3.79, 5.35 A)
 &rst
  ixpk= 1161, nxpk= 15, iat=  -1,1362, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1417,1418,
 &end
#
#   92 THR  MG2          93 GLN  HN          4.50    (#   1163:15  Unique         4.19, 4.68 A)
 &rst
  ixpk= 1163, nxpk= 15, iat=  -1,1362, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1354,1355,1356,
 &end
#
#   76 VAL  MGX          93 GLN  HN          5.50    (#   1164:15  Unique         5.45, 7.10 A)
 &rst
  ixpk= 1164, nxpk= 15, iat=  -1,1362, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1121,1122,1123,1125,1126,1127,
 &end
#
#   91 VAL  MGX          93 GLN  HN          5.50    (#   1165:15  Unique         4.92, 6.76 A)
 &rst
  ixpk= 1165, nxpk= 15, iat=  -1,1362, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1338,1339,1340,1342,1343,1344,
 &end
#
#   95 ILE  HN           94 GLU  HN          3.50    (#   1166:15  Unique         1.99, 2.23 A)
 &rst
  ixpk= 1166, nxpk= 15, iat=1394,1379, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   75 VAL  HA           94 GLU  HN          5.50    (#   1167:15  Unique         3.35, 3.54 A)
 &rst
  ixpk= 1167, nxpk= 15, iat=1101,1379, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   74 ASP  HB+          94 GLU  HN          4.50    (#   1169:15  Unique         3.30, 4.25 A)
 &rst
  ixpk= 1169, nxpk= 15, iat=  -1,1379, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1091,1092,
 &end
#
#   75 VAL  HB           94 GLU  HN          5.50    (#   1171:15  Unique         5.61, 5.65 A)
 &rst
  ixpk= 1171, nxpk= 15, iat=1103,1379, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   95 ILE  HG1-         94 GLU  HN          5.50    (#   1172:15  Unique         4.79, 5.54 A)
 &rst
  ixpk= 1172, nxpk= 15, iat=  -1,1379, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1404,1405,
 &end
#
#    0 AMB  15-2:1173    94 GLU  HN          5.50    (#   1173:15  Single Ambig)
 &rst
  ixpk= 1173, nxpk= 15, iat=  -1,1379, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1404,1405,1121,1122,1123,1125,1126,1127,
 &end
#
#   75 VAL  MGX          94 GLU  HN          5.50    (#   1174:15  Unique         3.46, 5.37 A)
 &rst
  ixpk= 1174, nxpk= 15, iat=  -1,1379, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1105,1106,1107,1109,1110,1111,
 &end
#
#   74 ASP  HA           95 ILE  HN          5.50    (#   1175:15  Unique         4.38, 4.61 A)
 &rst
  ixpk= 1175, nxpk= 15, iat=1089,1394, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   94 GLU  HN           95 ILE  HN          2.80    (#   1176:15  Unique         1.99, 2.23 A)
 &rst
  ixpk= 1176, nxpk= 15, iat=1379,1394, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   94 GLU  HA           95 ILE  HN          4.50    (#   1177:15  Unique         3.56, 3.58 A)
 &rst
  ixpk= 1177, nxpk= 15, iat=1381,1394, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   94 GLU  HB+          95 ILE  HN          2.80    (#   1178:15  Unique         2.90, 3.56 A)
 &rst
  ixpk= 1178, nxpk= 15, iat=  -1,1394, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1383,1384,
 &end
#
#   93 GLN  HG-          95 ILE  HN          4.50    (#   1179:15  Unique         4.71, 5.15 A)
 &rst
  ixpk= 1179, nxpk= 15, iat=  -1,1394, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1369,1370,
 &end
#
#   75 VAL  HB           95 ILE  HN          4.50    (#   1180:15  Unique         4.63, 4.66 A)
 &rst
  ixpk= 1180, nxpk= 15, iat=1103,1394, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   75 VAL  MGY          95 ILE  HN          4.50    (#   1181:15  Unique         2.13, 3.94 A)
 &rst
  ixpk= 1181, nxpk= 15, iat=  -1,1394, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1105,1106,1107,1109,1110,1111,
 &end
#
#   95 ILE  HN           96 PHE  HN          4.50    (#   1182:15  Unique         4.28, 4.35 A)
 &rst
  ixpk= 1182, nxpk= 15, iat=1394,1413, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   97 GLU  HN           96 PHE  HN          5.50    (#   1183:15  Unique         3.94, 4.01 A)
 &rst
  ixpk= 1183, nxpk= 15, iat=1433,1413, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   96 PHE  HD           96 PHE  HN          4.50    (#   1184:15  Unique         4.76, 4.91 A)
 &rst
  ixpk= 1184, nxpk= 15, iat=  -1,1413, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1421,1429,
 &end
#
#   97 GLU  HG+          96 PHE  HN          5.50    (#   1185:15  Unique         3.24, 4.62 A)
 &rst
  ixpk= 1185, nxpk= 15, iat=  -1,1413, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1440,1441,
 &end
#
#   97 GLU  HB-          96 PHE  HN          4.50    (#   1186:15  Unique         4.13, 5.26 A)
 &rst
  ixpk= 1186, nxpk= 15, iat=  -1,1413, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1437,1438,
 &end
#
#    0 AMB  15-2:1187    96 PHE  HN          4.50    (#   1187:15  Single Ambig)
 &rst
  ixpk= 1187, nxpk= 15, iat=  -1,1413, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1366,1367,1398,
 &end
#
#   95 ILE  HG1-         96 PHE  HN          4.50    (#   1188:15  Unique         4.25, 4.75 A)
 &rst
  ixpk= 1188, nxpk= 15, iat=  -1,1413, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1404,1405,
 &end
#
#    0 AMB  15-2:1189    96 PHE  HN          4.50    (#   1189:15  Single Ambig)
 &rst
  ixpk= 1189, nxpk= 15, iat=  -1,1413, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1404,1405,1121,1122,1123,1125,1126,1127,
 &end
#
#   75 VAL  MGY          96 PHE  HN          5.50    (#   1190:15  Unique         4.88, 6.37 A)
 &rst
  ixpk= 1190, nxpk= 15, iat=  -1,1413, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1105,1106,1107,1109,1110,1111,
 &end
#
#   78 SER  HN           97 GLU  HN          5.50    (#   1191:15  Unique         3.17, 3.57 A)
 &rst
  ixpk= 1191, nxpk= 15, iat=1150,1433, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:1192    97 GLU  HN          4.50    (#   1192:15  Single Ambig)
 &rst
  ixpk= 1192, nxpk= 15, iat=  -1,1433, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1413,1448,
 &end
#
#   97 GLU  HA           97 GLU  HN          4.50    (#   1193:15  Unique         2.92, 2.95 A)
 &rst
  ixpk= 1193, nxpk= 15, iat=1435,1433, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   96 PHE  HB+          97 GLU  HN          5.50    (#   1194:15  Unique         4.08, 4.29 A)
 &rst
  ixpk= 1194, nxpk= 15, iat=  -1,1433, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1417,1418,
 &end
#
#   96 PHE  HB-          97 GLU  HN          5.50    (#   1195:15  Unique         4.08, 4.29 A)
 &rst
  ixpk= 1195, nxpk= 15, iat=  -1,1433, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1417,1418,
 &end
#
#   97 GLU  HG+          97 GLU  HN          4.50    (#   1196:15  Unique         3.62, 4.30 A)
 &rst
  ixpk= 1196, nxpk= 15, iat=  -1,1433, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1440,1441,
 &end
#
#   97 GLU  HB-          97 GLU  HN          4.50    (#   1197:15  Unique         2.56, 3.10 A)
 &rst
  ixpk= 1197, nxpk= 15, iat=  -1,1433, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1437,1438,
 &end
#
#   97 GLU  HB+          97 GLU  HN          4.50    (#   1198:15  Unique         2.56, 3.10 A)
 &rst
  ixpk= 1198, nxpk= 15, iat=  -1,1433, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1437,1438,
 &end
#
#    0 AMB  15-2:1199    97 GLU  HN          4.50    (#   1199:15  Single Ambig)
 &rst
  ixpk= 1199, nxpk= 15, iat=  -1,1433, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1=1400,1401,1402,1105,1106,1107,1109,1110,1111,
 &end
#
#   77 ILE  QD1          97 GLU  HN          4.50    (#   1200:15  Unique         2.95, 4.01 A)
 &rst
  ixpk= 1200, nxpk= 15, iat=  -1,1433, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1144,1145,1146,
 &end
#
#   99 TRP  HE1          98 ASP  HN          5.50    (#   1201:15  Unique         4.37, 4.66 A)
 &rst
  ixpk= 1201, nxpk= 15, iat=1470,1448, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   99 TRP  HN           98 ASP  HN          4.50    (#   1202:15  Unique         4.01, 4.18 A)
 &rst
  ixpk= 1202, nxpk= 15, iat=1460,1448, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   96 PHE  HD           98 ASP  HN          5.50    (#   1203:15  Unique         5.38, 6.57 A)
 &rst
  ixpk= 1203, nxpk= 15, iat=  -1,1448, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1421,1429,
 &end
#
#   97 GLU  HN           98 ASP  HN          5.50    (#   1204:15  Unique         4.27, 4.32 A)
 &rst
  ixpk= 1204, nxpk= 15, iat=1433,1448, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   99 TRP  HD1          98 ASP  HN          4.50    (#   1205:15  Unique         3.31, 3.53 A)
 &rst
  ixpk= 1205, nxpk= 15, iat=1468,1448, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:1206    98 ASP  HN          5.50    (#   1206:15  Single Ambig)
 &rst
  ixpk= 1206, nxpk= 15, iat=  -1,1448, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1462,1163,
 &end
#
#   77 ILE  QD1          98 ASP  HN          4.50    (#   1208:15  Unique         4.88, 5.67 A)
 &rst
  ixpk= 1208, nxpk= 15, iat=  -1,1448, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1144,1145,1146,
 &end
#
#    0 AMB  15-2:1210    99 TRP  HN          4.50    (#   1210:15  Single Ambig)
 &rst
  ixpk= 1210, nxpk= 15, iat=  -1,1460, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1163,1462,
 &end
#
#   99 TRP  HB-          99 TRP  HN          4.50    (#   1211:15  Unique         2.51, 3.18 A)
 &rst
  ixpk= 1211, nxpk= 15, iat=  -1,1460, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1464,1465,
 &end
#
#   99 TRP  HB+          99 TRP  HN          4.50    (#   1212:15  Unique         2.51, 3.18 A)
 &rst
  ixpk= 1212, nxpk= 15, iat=  -1,1460, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1464,1465,
 &end
#
#  102 GLU  HN          101 LEU  HN          5.50    (#   1213:15  Unique         4.37, 4.63 A)
 &rst
  ixpk= 1213, nxpk= 15, iat=1520,1501, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  100 GLN  HB+         101 LEU  HN          4.50    (#   1215:15  Unique         2.16, 4.28 A)
 &rst
  ixpk= 1215, nxpk= 15, iat=  -1,1501, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1488,1489,
 &end
#
#  100 GLN  HG-         101 LEU  HN          4.50    (#   1216:15  Unique         2.03, 5.19 A)
 &rst
  ixpk= 1216, nxpk= 15, iat=  -1,1501, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1491,1492,
 &end
#
#  101 LEU  HG          101 LEU  HN          4.50    (#   1217:15  Unique         4.19, 4.31 A)
 &rst
  ixpk= 1217, nxpk= 15, iat=1508,1501, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  102 GLU  HN          103 ASP  HN          4.50    (#   1218:15  Unique         4.50, 4.55 A)
 &rst
  ixpk= 1218, nxpk= 15, iat=1520,1535, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  104 PRO  HD+         103 ASP  HN          4.50    (#   1219:15  Unique         3.38, 4.88 A)
 &rst
  ixpk= 1219, nxpk= 15, iat=  -1,1535, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1548,1549,
 &end
#
#   14 ARG  HD+         103 ASP  HN          4.50    (#   1220:15  Unique         4.59, 5.32 A)
 &rst
  ixpk= 1220, nxpk= 15, iat=  -1,1535, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 237, 238,
 &end
#
#  115 VAL  MGY         103 ASP  HN          4.50    (#   1221:15  Unique         3.82, 5.96 A)
 &rst
  ixpk= 1221, nxpk= 15, iat=  -1,1535, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1722,1723,1724,1726,1727,1728,
 &end
#
#  104 PRO  HD-         105 ASP  HN          4.50    (#   1222:15  Unique         2.39, 3.66 A)
 &rst
  ixpk= 1222, nxpk= 15, iat=  -1,1561, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1548,1549,
 &end
#
#  103 ASP  HA          105 ASP  HN          5.50    (#   1224:15  Unique         3.54, 3.78 A)
 &rst
  ixpk= 1224, nxpk= 15, iat=1537,1561, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  105 ASP  HA          105 ASP  HN          3.50    (#   1225:15  Unique         2.42, 2.71 A)
 &rst
  ixpk= 1225, nxpk= 15, iat=1563,1561, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  104 PRO  HG+         105 ASP  HN          4.50    (#   1226:15  Unique         4.43, 5.00 A)
 &rst
  ixpk= 1226, nxpk= 15, iat=  -1,1561, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1551,1552,
 &end
#
#  107 GLN  HN          106 GLY  HN          4.50    (#   1227:15  Unique         2.81, 2.98 A)
 &rst
  ixpk= 1227, nxpk= 15, iat=1580,1573, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  111 VAL  MGX         107 GLN  HN          5.50    (#   1228:15  Unique         5.64, 7.06 A)
 &rst
  ixpk= 1228, nxpk= 15, iat=  -1,1580, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1648,1649,1650,1652,1653,1654,
 &end
#
#  111 VAL  HN          108 SER  HN          4.50    (#   1230:15  Unique         3.82, 4.06 A)
 &rst
  ixpk= 1230, nxpk= 15, iat=1642,1597, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  107 GLN  HN          108 SER  HN          4.50    (#   1231:15  Unique         4.40, 4.51 A)
 &rst
  ixpk= 1231, nxpk= 15, iat=1580,1597, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:1232   108 SER  HN          5.50    (#   1232:15  Single Ambig)
 &rst
  ixpk= 1232, nxpk= 15, iat=  -1,1597, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1557,1575,1576,
 &end
#
#  107 GLN  HB-         108 SER  HN          2.80    (#   1235:15  Unique         1.85, 2.92 A)
 &rst
  ixpk= 1235, nxpk= 15, iat=  -1,1597, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1584,1585,
 &end
#
#  109 LEU  HA          109 LEU  HN          2.80    (#   1236:15  Unique         2.84, 2.86 A)
 &rst
  ixpk= 1236, nxpk= 15, iat=1610,1608, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  109 LEU  MDY         109 LEU  HN          4.50    (#   1237:15  Unique         3.05, 4.40 A)
 &rst
  ixpk= 1237, nxpk= 15, iat=  -1,1608, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1617,1618,1619,1621,1622,1623,
 &end
#
#  112 PHE  HN          110 GLU  HN          5.50    (#   1239:15  Unique         4.02, 4.15 A)
 &rst
  ixpk= 1239, nxpk= 15, iat=1658,1627, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  112 PHE  HB+         110 GLU  HN          5.50    (#   1240:15  Unique         4.74, 5.79 A)
 &rst
  ixpk= 1240, nxpk= 15, iat=  -1,1627, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1662,1663,
 &end
#
#  111 VAL  MGY         110 GLU  HN          4.50    (#   1241:15  Unique         4.26, 6.36 A)
 &rst
  ixpk= 1241, nxpk= 15, iat=  -1,1627, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1648,1649,1650,1652,1653,1654,
 &end
#
#  109 LEU  MDX         110 GLU  HN          5.50    (#   1242:15  Unique         5.01, 5.84 A)
 &rst
  ixpk= 1242, nxpk= 15, iat=  -1,1627, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1617,1618,1619,1621,1622,1623,
 &end
#
#  113 ARG  HN          111 VAL  HN          4.50    (#   1245:15  Unique         4.07, 4.19 A)
 &rst
  ixpk= 1245, nxpk= 15, iat=1678,1642, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  109 LEU  HN          111 VAL  HN          4.50    (#   1246:15  Unique         4.31, 4.38 A)
 &rst
  ixpk= 1246, nxpk= 15, iat=1608,1642, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  110 GLU  HN          111 VAL  HN          2.80    (#   1247:15  Unique         2.61, 2.71 A)
 &rst
  ixpk= 1247, nxpk= 15, iat=1627,1642, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  112 PHE  HN          111 VAL  HN          2.80    (#   1248:15  Unique         2.60, 2.66 A)
 &rst
  ixpk= 1248, nxpk= 15, iat=1658,1642, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  112 PHE  HD          111 VAL  HN          5.50    (#   1249:15  Unique         4.03, 6.01 A)
 &rst
  ixpk= 1249, nxpk= 15, iat=  -1,1642, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1666,1674,
 &end
#
#  107 GLN  HE2-        111 VAL  HN          5.50    (#   1250:15  Unique         6.03, 6.30 A)
 &rst
  ixpk= 1250, nxpk= 15, iat=  -1,1642, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1592,1593,
 &end
#
#    0 AMB  15-2:1251   111 VAL  HN          3.50    (#   1251:15  Single Ambig)
 &rst
  ixpk= 1251, nxpk= 15, iat=  -1,1642, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1601,1602,1629,
 &end
#
#  112 PHE  HB+         111 VAL  HN          4.50    (#   1252:15  Unique         4.54, 5.36 A)
 &rst
  ixpk= 1252, nxpk= 15, iat=  -1,1642, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1662,1663,
 &end
#
#    0 AMB  15-2:1256   112 PHE  HN          4.50    (#   1256:15  Single Ambig)
 &rst
  ixpk= 1256, nxpk= 15, iat=  -1,1658, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1627,1702,
 &end
#
#   49 MET  HG+         112 PHE  HN          5.50    (#   1257:15  Unique         4.26, 5.74 A)
 &rst
  ixpk= 1257, nxpk= 15, iat=  -1,1658, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 734, 735,
 &end
#
#    0 AMB  15-2:1258   112 PHE  HN          5.50    (#   1258:15  Single Ambig)
 &rst
  ixpk= 1258, nxpk= 15, iat=  -1,1658, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1720,1682,1683,
 &end
#
#    0 AMB  15-2:1259   112 PHE  HN          4.50    (#   1259:15  Single Ambig)
 &rst
  ixpk= 1259, nxpk= 15, iat=  -1,1658, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1=1554,1555, 680, 681, 682,
 &end
#
#  114 THR  HB          113 ARG  HN          5.50    (#   1260:15  Unique         4.96, 5.07 A)
 &rst
  ixpk= 1260, nxpk= 15, iat=1706,1678, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  111 VAL  HN          113 ARG  HN          5.50    (#   1261:15  Unique         4.07, 4.19 A)
 &rst
  ixpk= 1261, nxpk= 15, iat=1642,1678, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  112 PHE  HD          113 ARG  HN          4.50    (#   1262:15  Unique         4.65, 5.13 A)
 &rst
  ixpk= 1262, nxpk= 15, iat=  -1,1678, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1666,1674,
 &end
#
#  109 LEU  HA          113 ARG  HN          4.50    (#   1263:15  Unique         3.81, 4.02 A)
 &rst
  ixpk= 1263, nxpk= 15, iat=1610,1678, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  114 THR  HA          113 ARG  HN          5.50    (#   1264:15  Unique         5.29, 5.36 A)
 &rst
  ixpk= 1264, nxpk= 15, iat=1704,1678, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  111 VAL  HA          113 ARG  HN          4.50    (#   1265:15  Unique         4.28, 4.39 A)
 &rst
  ixpk= 1265, nxpk= 15, iat=1644,1678, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  112 PHE  HB-         113 ARG  HN          4.50    (#   1267:15  Unique         2.57, 2.98 A)
 &rst
  ixpk= 1267, nxpk= 15, iat=  -1,1678, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1662,1663,
 &end
#
#   49 MET  HG+         113 ARG  HN          4.50    (#   1268:15  Unique         2.92, 5.07 A)
 &rst
  ixpk= 1268, nxpk= 15, iat=  -1,1678, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 734, 735,
 &end
#
#  111 VAL  HB          113 ARG  HN          5.50    (#   1269:15  Unique         5.27, 5.36 A)
 &rst
  ixpk= 1269, nxpk= 15, iat=1646,1678, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  115 VAL  HN          114 THR  HN          3.50    (#   1271:15  Unique         2.64, 2.72 A)
 &rst
  ixpk= 1271, nxpk= 15, iat=1716,1702, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  114 THR  MG2         114 THR  HN          4.50    (#   1272:15  Unique         4.40, 4.51 A)
 &rst
  ixpk= 1272, nxpk= 15, iat=  -1,1702, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1708,1709,1710,
 &end
#
#    0 AMB  15-2:1273   114 THR  HN          4.50    (#   1273:15  Single Ambig)
 &rst
  ixpk= 1273, nxpk= 15, iat=  -1,1702, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1722,1723,1724,1726,1727,1728,1722,1723,1724,1726,
      1727,1728,
 &end
#
#  111 VAL  MGX         114 THR  HN          5.50    (#   1274:15  Unique         4.78, 5.81 A)
 &rst
  ixpk= 1274, nxpk= 15, iat=  -1,1702, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1648,1649,1650,1652,1653,1654,
 &end
#
#  116 ARG  HN          115 VAL  HN          3.50    (#   1275:15  Unique         2.63, 2.71 A)
 &rst
  ixpk= 1275, nxpk= 15, iat=1732,1716, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  114 THR  HN          115 VAL  HN          3.50    (#   1276:15  Unique         2.64, 2.72 A)
 &rst
  ixpk= 1276, nxpk= 15, iat=1702,1716, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  118 GLN  HN          115 VAL  HN          5.50    (#   1277:15  Unique         4.76, 5.03 A)
 &rst
  ixpk= 1277, nxpk= 15, iat=1763,1716, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  111 VAL  HB          115 VAL  HN          5.50    (#   1280:15  Unique         5.37, 5.50 A)
 &rst
  ixpk= 1280, nxpk= 15, iat=1646,1716, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:1281   115 VAL  HN          4.50    (#   1281:15  Single Ambig)
 &rst
  ixpk= 1281, nxpk= 15, iat=  -1,1716, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1736,1737,1767,1768,
 &end
#
#    0 AMB  15-2:1282   115 VAL  HN          5.50    (#   1282:15  Single Ambig)
 &rst
  ixpk= 1282, nxpk= 15, iat=  -1,1716, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1=1527,1528, 755, 756, 757,
 &end
#
#    0 AMB  15-2:1283   115 VAL  HN          5.50    (#   1283:15  Single Ambig)
 &rst
  ixpk= 1283, nxpk= 15, iat=  -1,1716, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1524,1525,1505,1506,
 &end
#
#  111 VAL  MGX         115 VAL  HN          4.50    (#   1284:15  Unique         3.93, 5.53 A)
 &rst
  ixpk= 1284, nxpk= 15, iat=  -1,1716, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1648,1649,1650,1652,1653,1654,
 &end
#
#    0 AMB  15-2:1285     0 AMB  15-1:1285   3.50    (#   1285:15  Double Ambig)
 &rst
  ixpk= 1285, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1888,1756,
 igr2=1873,1732,
 &end
#
#    0 AMB  15-2:1286     0 AMB  15-1:1286   3.50    (#   1286:15  Double Ambig)
 &rst
  ixpk= 1286, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1680,1859, 229,
 igr2=1732,1873,
 &end
#
#    0 AMB  15-2:1287   124 GLU  HN          4.50    (#   1287:15  Single Ambig)
 &rst
  ixpk= 1287, nxpk= 15, iat=  -1,1873, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1892,1893,1809,1810,
 &end
#
#  115 VAL  HN          117 GLY  HN          5.50    (#   1288:15  Unique         4.10, 4.26 A)
 &rst
  ixpk= 1288, nxpk= 15, iat=1716,1756, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  116 ARG  HG+         117 GLY  HN          4.50    (#   1289:15  Unique         2.12, 2.93 A)
 &rst
  ixpk= 1289, nxpk= 15, iat=  -1,1756, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1739,1740,
 &end
#
#  118 GLN  HG-         117 GLY  HN          5.50    (#   1290:15  Unique         3.65, 4.83 A)
 &rst
  ixpk= 1290, nxpk= 15, iat=  -1,1756, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1770,1771,
 &end
#
#    0 AMB  15-2:1291   117 GLY  HN          5.50    (#   1291:15  Single Ambig)
 &rst
  ixpk= 1291, nxpk= 15, iat=  -1,1756, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1800,1801,1685,1686,
 &end
#
#  119 VAL  MGY         117 GLY  HN          5.50    (#   1292:15  Unique         5.31, 6.96 A)
 &rst
  ixpk= 1292, nxpk= 15, iat=  -1,1756, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1786,1787,1788,1790,1791,1792,
 &end
#
#    0 AMB  15-2:1293   117 GLY  HN          5.50    (#   1293:15  Single Ambig)
 &rst
  ixpk= 1293, nxpk= 15, iat=  -1,1756, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1722,1723,1724,1726,1727,1728,1722,1723,1724,1726,
      1727,1728,
 &end
#
#  120 LYS  HB-         117 GLY  HN          5.50    (#   1294:15  Unique         4.60, 6.36 A)
 &rst
  ixpk= 1294, nxpk= 15, iat=  -1,1756, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1800,1801,
 &end
#
#  121 GLU  HN          118 GLN  HN          5.50    (#   1295:15  Unique         4.58, 5.37 A)
 &rst
  ixpk= 1295, nxpk= 15, iat=1818,1763, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  119 VAL  HA          118 GLN  HN          5.50    (#   1296:15  Unique         4.98, 5.17 A)
 &rst
  ixpk= 1296, nxpk= 15, iat=1782,1763, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  120 LYS  HB+         118 GLN  HN          5.50    (#   1297:15  Unique         4.07, 5.88 A)
 &rst
  ixpk= 1297, nxpk= 15, iat=  -1,1763, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1800,1801,
 &end
#
#  121 GLU  HN          119 VAL  HN          4.50    (#   1299:15  Unique         4.20, 4.51 A)
 &rst
  ixpk= 1299, nxpk= 15, iat=1818,1780, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:1300   119 VAL  HN          3.50    (#   1300:15  Single Ambig)
 &rst
  ixpk= 1300, nxpk= 15, iat=  -1,1780, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1718,1758,1759,
 &end
#
#  120 LYS  HA          119 VAL  HN          5.50    (#   1301:15  Unique         5.01, 5.17 A)
 &rst
  ixpk= 1301, nxpk= 15, iat=1798,1780, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:1302   119 VAL  HN          4.50    (#   1302:15  Single Ambig)
 &rst
  ixpk= 1302, nxpk= 15, iat=  -1,1780, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1800,1801,1806,1807,
 &end
#
#    0 AMB  15-2:1303   120 LYS  HN          5.50    (#   1303:15  Single Ambig)
 &rst
  ixpk= 1303, nxpk= 15, iat=  -1,1796, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1857,1873,
 &end
#
#    0 AMB  15-2:1304   120 LYS  HN          4.50    (#   1304:15  Single Ambig)
 &rst
  ixpk= 1304, nxpk= 15, iat=  -1,1796, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1763,1756,
 &end
#
#   21 PHE  HD          120 LYS  HN          4.50    (#   1305:15  Unique         3.38, 5.71 A)
 &rst
  ixpk= 1305, nxpk= 15, iat=  -1,1796, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 336, 344,
 &end
#
#  119 VAL  HA          120 LYS  HN          4.50    (#   1306:15  Unique         3.54, 3.57 A)
 &rst
  ixpk= 1306, nxpk= 15, iat=1782,1796, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:1307   120 LYS  HN          4.50    (#   1307:15  Single Ambig)
 &rst
  ixpk= 1307, nxpk= 15, iat=  -1,1796, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1822,1823,1739,1740,1767,1768,
 &end
#
#  120 LYS  HG-         120 LYS  HN          4.50    (#   1308:15  Unique         1.93, 3.03 A)
 &rst
  ixpk= 1308, nxpk= 15, iat=  -1,1796, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1803,1804,
 &end
#
#    0 AMB  15-2:1309   121 GLU  HN          4.50    (#   1309:15  Single Ambig)
 &rst
  ixpk= 1309, nxpk= 15, iat=  -1,1818, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1857,1873,
 &end
#
#  119 VAL  HN          121 GLU  HN          4.50    (#   1310:15  Unique         4.20, 4.51 A)
 &rst
  ixpk= 1310, nxpk= 15, iat=1780,1818, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  118 GLN  HN          121 GLU  HN          5.50    (#   1311:15  Unique         4.58, 5.37 A)
 &rst
  ixpk= 1311, nxpk= 15, iat=1763,1818, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  117 GLY  HA-         121 GLU  HN          5.50    (#   1312:15  Unique         4.48, 5.48 A)
 &rst
  ixpk= 1312, nxpk= 15, iat=  -1,1818, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1758,1759,
 &end
#
#  122 ARG  HA          121 GLU  HN          5.50    (#   1313:15  Unique         5.25, 5.32 A)
 &rst
  ixpk= 1313, nxpk= 15, iat=1835,1818, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  119 VAL  HA          121 GLU  HN          5.50    (#   1314:15  Unique         4.21, 4.37 A)
 &rst
  ixpk= 1314, nxpk= 15, iat=1782,1818, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  119 VAL  HB          121 GLU  HN          5.50    (#   1316:15  Unique         5.22, 5.35 A)
 &rst
  ixpk= 1316, nxpk= 15, iat=1784,1818, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:1317   121 GLU  HN          4.50    (#   1317:15  Single Ambig)
 &rst
  ixpk= 1317, nxpk= 15, iat=  -1,1818, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1840,1841,1786,1787,1788,1790,1791,1792,
 &end
#
#  119 VAL  MGY         121 GLU  HN          5.50    (#   1318:15  Unique         5.31, 6.51 A)
 &rst
  ixpk= 1318, nxpk= 15, iat=  -1,1818, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1786,1787,1788,1790,1791,1792,
 &end
#
#  120 LYS  HG-         121 GLU  HN          4.50    (#   1319:15  Unique         2.91, 4.20 A)
 &rst
  ixpk= 1319, nxpk= 15, iat=  -1,1818, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1803,1804,
 &end
#
#  121 GLU  HA          122 ARG  HN          4.50    (#   1320:15  Unique         3.56, 3.59 A)
 &rst
  ixpk= 1320, nxpk= 15, iat=1820,1833, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  119 VAL  HA          122 ARG  HN          4.50    (#   1321:15  Unique         3.19, 3.43 A)
 &rst
  ixpk= 1321, nxpk= 15, iat=1782,1833, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  122 ARG  HD-         122 ARG  HN          4.50    (#   1322:15  Unique         2.06, 3.17 A)
 &rst
  ixpk= 1322, nxpk= 15, iat=  -1,1833, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1843,1844,
 &end
#
#    0 AMB  15-2:1323   122 ARG  HN          4.50    (#   1323:15  Single Ambig)
 &rst
  ixpk= 1323, nxpk= 15, iat=  -1,1833, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1863,1864,1865,1867,1868,1869,1806,1807,
 &end
#
#  125 ASN  HN          123 VAL  HN          5.50    (#   1325:15  Unique         4.13, 4.19 A)
 &rst
  ixpk= 1325, nxpk= 15, iat=1888,1857, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:1326   123 VAL  HN          4.50    (#   1326:15  Single Ambig)
 &rst
  ixpk= 1326, nxpk= 15, iat=  -1,1857, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1475, 108, 112,
 &end
#
#   99 TRP  HZ3         123 VAL  HN          4.50    (#   1327:15  Unique         3.26, 3.45 A)
 &rst
  ixpk= 1327, nxpk= 15, iat=1477,1857, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  121 GLU  HA          123 VAL  HN          5.50    (#   1328:15  Unique         4.56, 4.69 A)
 &rst
  ixpk= 1328, nxpk= 15, iat=1820,1857, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  122 ARG  HA          123 VAL  HN          4.50    (#   1329:15  Unique         3.56, 3.59 A)
 &rst
  ixpk= 1329, nxpk= 15, iat=1835,1857, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  119 VAL  HA          123 VAL  HN          4.50    (#   1330:15  Unique         3.71, 3.85 A)
 &rst
  ixpk= 1330, nxpk= 15, iat=1782,1857, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   21 PHE  HB-         123 VAL  HN          5.50    (#   1331:15  Unique         5.44, 5.82 A)
 &rst
  ixpk= 1331, nxpk= 15, iat=  -1,1857, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 332, 333,
 &end
#
#  120 LYS  HA          123 VAL  HN          4.50    (#   1332:15  Unique         3.83, 3.94 A)
 &rst
  ixpk= 1332, nxpk= 15, iat=1798,1857, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  119 VAL  HB          123 VAL  HN          5.50    (#   1333:15  Unique         5.37, 5.51 A)
 &rst
  ixpk= 1333, nxpk= 15, iat=1784,1857, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:1334   123 VAL  HN          4.50    (#   1334:15  Single Ambig)
 &rst
  ixpk= 1334, nxpk= 15, iat=  -1,1857, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1843,1844,1906,1907,
 &end
#
#    0 AMB  15-2:1335   123 VAL  HN          4.50    (#   1335:15  Single Ambig)
 &rst
  ixpk= 1335, nxpk= 15, iat=  -1,1857, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1877,1878,1925,
 &end
#
#  122 ARG  HG+         123 VAL  HN          4.50    (#   1336:15  Unique         4.38, 4.99 A)
 &rst
  ixpk= 1336, nxpk= 15, iat=  -1,1857, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1840,1841,
 &end
#
#  122 ARG  HB-         123 VAL  HN          4.50    (#   1337:15  Unique         2.45, 3.13 A)
 &rst
  ixpk= 1337, nxpk= 15, iat=  -1,1857, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1837,1838,
 &end
#
#    0 AMB  15-2:1338   124 GLU  HN          4.50    (#   1338:15  Single Ambig)
 &rst
  ixpk= 1338, nxpk= 15, iat=  -1,1873, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1863,1864,1865,1867,1868,1869,1806,1807,
 &end
#
#    0 AMB  15-2:1339   124 GLU  HN          2.80    (#   1339:15  Single Ambig)
 &rst
  ixpk= 1339, nxpk= 15, iat=  -1,1873, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1863,1864,1865,1867,1868,1869, 403, 404, 405, 407,
       408, 409,
 &end
#
#  126 LEU  HN          125 ASN  HN          2.80    (#   1341:15  Unique         2.72, 2.75 A)
 &rst
  ixpk= 1341, nxpk= 15, iat=1902,1888, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  125 ASN  HD2+        125 ASN  HN          3.50    (#   1342:15  Unique         2.33, 3.33 A)
 &rst
  ixpk= 1342, nxpk= 15, iat=  -1,1888, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1897,1898,
 &end
#
#  121 GLU  HA          125 ASN  HN          4.50    (#   1343:15  Unique         3.76, 3.88 A)
 &rst
  ixpk= 1343, nxpk= 15, iat=1820,1888, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  126 LEU  HB+         125 ASN  HN          4.50    (#   1345:15  Unique         4.56, 5.20 A)
 &rst
  ixpk= 1345, nxpk= 15, iat=  -1,1888, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1906,1907,
 &end
#
#  124 GLU  HG+         125 ASN  HN          4.50    (#   1346:15  Unique         3.81, 4.37 A)
 &rst
  ixpk= 1346, nxpk= 15, iat=  -1,1888, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1880,1881,
 &end
#
#    0 AMB  15-2:1347   125 ASN  HN          4.50    (#   1347:15  Single Ambig)
 &rst
  ixpk= 1347, nxpk= 15, iat=  -1,1888, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1=1944,1945,1946,1911,1912,1913,1915,1916,1917,
 &end
#
#    0 AMB  15-2:1348   125 ASN  HN          5.50    (#   1348:15  Single Ambig)
 &rst
  ixpk= 1348, nxpk= 15, iat=  -1,1888, r1= 0.00, r2= 1.80, r3= 8.54, r4= 9.29,
 igr1=1840,1841,1911,1912,1913,1915,1916,1917, 403, 404,
       405, 407, 408, 409,
 &end
#
#  125 ASN  HN          126 LEU  HN          3.50    (#   1349:15  Unique         2.72, 2.75 A)
 &rst
  ixpk= 1349, nxpk= 15, iat=1888,1902, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  125 ASN  HD2+        126 LEU  HN          4.50    (#   1350:15  Unique         4.61, 5.41 A)
 &rst
  ixpk= 1350, nxpk= 15, iat=  -1,1902, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1897,1898,
 &end
#
#   99 TRP  HZ2         126 LEU  HN          4.50    (#   1351:15  Unique         3.65, 3.73 A)
 &rst
  ixpk= 1351, nxpk= 15, iat=1473,1902, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   99 TRP  HH2         126 LEU  HN          4.50    (#   1352:15  Unique         3.70, 3.83 A)
 &rst
  ixpk= 1352, nxpk= 15, iat=1475,1902, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  122 ARG  HA          126 LEU  HN          4.50    (#   1353:15  Unique         3.84, 3.94 A)
 &rst
  ixpk= 1353, nxpk= 15, iat=1835,1902, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:1354   126 LEU  HN          4.50    (#   1354:15  Single Ambig)
 &rst
  ixpk= 1354, nxpk= 15, iat=  -1,1902, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1925,1877,1878,
 &end
#
#    0 AMB  15-2:1355   126 LEU  HN          4.50    (#   1355:15  Single Ambig)
 &rst
  ixpk= 1355, nxpk= 15, iat=  -1,1902, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1911,1912,1913,1915,1916,1917,1957,1958,
 &end
#
#    0 AMB  15-2:1356   126 LEU  HN          4.50    (#   1356:15  Single Ambig)
 &rst
  ixpk= 1356, nxpk= 15, iat=  -1,1902, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1=1837,1838,1985,1986,1987,
 &end
#
#    0 AMB  15-2:1357   126 LEU  HN          5.50    (#   1357:15  Single Ambig)
 &rst
  ixpk= 1357, nxpk= 15, iat=  -1,1902, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1=1407,1408,1409,1927,1928,1929,1400,1401,1402,
 &end
#
#  126 LEU  HN          127 ILE  HN          3.50    (#   1358:15  Unique         2.61, 2.64 A)
 &rst
  ixpk= 1358, nxpk= 15, iat=1902,1921, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  125 ASN  HN          127 ILE  HN          5.50    (#   1359:15  Unique         4.05, 4.10 A)
 &rst
  ixpk= 1359, nxpk= 15, iat=1888,1921, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:1362   127 ILE  HN          5.50    (#   1362:15  Single Ambig)
 &rst
  ixpk= 1362, nxpk= 15, iat=  -1,1921, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1475, 108, 112,
 &end
#
#  125 ASN  HB+         127 ILE  HN          4.50    (#   1363:15  Unique         5.09, 5.20 A)
 &rst
  ixpk= 1363, nxpk= 15, iat=  -1,1921, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1892,1893,
 &end
#
#    0 AMB  15-2:1365   127 ILE  HN          4.50    (#   1365:15  Single Ambig)
 &rst
  ixpk= 1365, nxpk= 15, iat=  -1,1921, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1982,1983,1863,1864,1865,1867,1868,1869, 469, 470,
      
 &end
#
#  127 ILE  HN          129 LYS  HN          4.50    (#   1366:15  Unique         4.10, 4.17 A)
 &rst
  ixpk= 1366, nxpk= 15, iat=1921,1950, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  128 ALA  HN          129 LYS  HN          2.80    (#   1367:15  Unique         2.80, 2.83 A)
 &rst
  ixpk= 1367, nxpk= 15, iat=1940,1950, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  130 ILE  HA          129 LYS  HN          5.50    (#   1368:15  Unique         5.14, 5.19 A)
 &rst
  ixpk= 1368, nxpk= 15, iat=1974,1950, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  127 ILE  HA          129 LYS  HN          4.50    (#   1369:15  Unique         4.04, 4.16 A)
 &rst
  ixpk= 1369, nxpk= 15, iat=1923,1950, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  129 LYS  HE+         129 LYS  HN          5.50    (#   1370:15  Unique         4.38, 5.02 A)
 &rst
  ixpk= 1370, nxpk= 15, iat=  -1,1950, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1963,1964,
 &end
#
#  126 LEU  HB+         129 LYS  HN          5.50    (#   1371:15  Unique         5.31, 5.55 A)
 &rst
  ixpk= 1371, nxpk= 15, iat=  -1,1950, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1906,1907,
 &end
#
#  127 ILE  HB          129 LYS  HN          5.50    (#   1372:15  Unique         5.09, 5.12 A)
 &rst
  ixpk= 1372, nxpk= 15, iat=1925,1950, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  130 ILE  HG1-        129 LYS  HN          4.50    (#   1373:15  Unique         3.73, 4.22 A)
 &rst
  ixpk= 1373, nxpk= 15, iat=  -1,1950, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1982,1983,
 &end
#
#    0 AMB  15-2:1374   129 LYS  HN          4.50    (#   1374:15  Single Ambig)
 &rst
  ixpk= 1374, nxpk= 15, iat=  -1,1950, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1=1909,1911,1912,1913,1915,1916,1917,1931,1932,
 &end
#
#  130 ILE  QD1         129 LYS  HN          5.50    (#   1375:15  Unique         5.38, 6.26 A)
 &rst
  ixpk= 1375, nxpk= 15, iat=  -1,1950, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1985,1986,1987,
 &end
#
#  128 ALA  HA          130 ILE  HN          4.50    (#   1376:15  Unique         4.52, 4.63 A)
 &rst
  ixpk= 1376, nxpk= 15, iat=1942,1972, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  131 SER  HB-         130 ILE  HN          5.50    (#   1377:15  Unique         4.66, 5.54 A)
 &rst
  ixpk= 1377, nxpk= 15, iat=  -1,1972, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1995,1996,
 &end
#
#  129 LYS  HD+         130 ILE  HN          4.50    (#   1378:15  Unique         4.56, 5.17 A)
 &rst
  ixpk= 1378, nxpk= 15, iat=  -1,1972, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1960,1961,
 &end
#
#    0 AMB  15-2:1380   130 ILE  HN          4.50    (#   1380:15  Single Ambig)
 &rst
  ixpk= 1380, nxpk= 15, iat=  -1,1972, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1=1909,1931,1932,1911,1912,1913,1915,1916,1917,
 &end
#
#  127 ILE  HA          131 SER  HN          4.50    (#   1382:15  Unique         3.02, 3.20 A)
 &rst
  ixpk= 1382, nxpk= 15, iat=1923,1991, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:1383   131 SER  HN          4.50    (#   1383:15  Single Ambig)
 &rst
  ixpk= 1383, nxpk= 15, iat=  -1,1991, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1931,1932,1909,
 &end
#
#  130 ILE  QD1         131 SER  HN          4.50    (#   1384:15  Unique         4.77, 5.24 A)
 &rst
  ixpk= 1384, nxpk= 15, iat=  -1,1991, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1985,1986,1987,
 &end
#
#    0 AMB  15-2:1385    90 TRP  HE1         4.50    (#   1385:15  Single Ambig)
 &rst
  ixpk= 1385, nxpk= 15, iat=  -1,1318, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1250,1251,1121,1122,1123,1125,1126,1127,
 &end
#
#   70 ALA  HA           90 TRP  HE1         5.50    (#   1386:15  Unique         5.53, 5.63 A)
 &rst
  ixpk= 1386, nxpk= 15, iat=1034,1318, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   87 PRO  HB+          90 TRP  HE1         4.50    (#   1387:15  Unique         3.47, 4.99 A)
 &rst
  ixpk= 1387, nxpk= 15, iat=  -1,1318, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1272,1273,
 &end
#
#    0 AMB  15-2:1388    90 TRP  HE1         4.50    (#   1388:15  Single Ambig)
 &rst
  ixpk= 1388, nxpk= 15, iat=  -1,1318, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1002,1003,1312,1313,
 &end
#
#   87 PRO  HD-          90 TRP  HE1         4.50    (#   1389:15  Unique         3.15, 4.06 A)
 &rst
  ixpk= 1389, nxpk= 15, iat=  -1,1318, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1266,1267,
 &end
#
#    0 AMB  15-2:1390    90 TRP  HE1         5.50    (#   1390:15  Single Ambig)
 &rst
  ixpk= 1390, nxpk= 15, iat=  -1,1318, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1310, 952,
 &end
#
#   70 ALA  HN           90 TRP  HE1         4.50    (#   1391:15  Unique         3.26, 3.40 A)
 &rst
  ixpk= 1391, nxpk= 15, iat=1032,1318, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   24 THR  MG2          25 LEU  HN          3.50    (#   1392:15  Unique         2.59, 3.58 A)
 &rst
  ixpk= 1392, nxpk= 15, iat=  -1, 394, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 386, 387, 388,
 &end
#
#   29 LYS  HD-          29 LYS  HN          4.50    (#   1393:15  Unique         4.25, 4.68 A)
 &rst
  ixpk= 1393, nxpk= 15, iat=  -1, 437, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 447, 448,
 &end
#
#  125 ASN  HA          127 ILE  HN          4.50    (#   1394:15  Unique         4.41, 4.45 A)
 &rst
  ixpk= 1394, nxpk= 15, iat=1890,1921, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  104 PRO  HA          107 GLN  HE2-        4.50    (#   1397:15  Unique         2.47, 4.29 A)
 &rst
  ixpk= 1397, nxpk= 15, iat=1557,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1592,1593,
 &end
#
#  111 VAL  MGY         107 GLN  HE2-        4.50    (#   1399:15  Unique         2.20, 3.96 A)
 &rst
  ixpk= 1399, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1648,1649,1650,1652,1653,1654,
 igr2=1592,1593,
 &end
#
#  111 VAL  MGX         107 GLN  HE2+        4.50    (#   1400:15  Unique         2.20, 3.96 A)
 &rst
  ixpk= 1400, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1648,1649,1650,1652,1653,1654,
 igr2=1592,1593,
 &end
#
#  111 VAL  MGY         107 GLN  HE2+        5.50    (#   1401:15  Unique         2.20, 3.96 A)
 &rst
  ixpk= 1401, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1648,1649,1650,1652,1653,1654,
 igr2=1592,1593,
 &end
#
#  103 ASP  HN          107 GLN  HE2-        5.50    (#   1402:15  Unique         3.37, 5.68 A)
 &rst
  ixpk= 1402, nxpk= 15, iat=1535,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1592,1593,
 &end
#
#    0 AMB  15-2:1404     0 AMB  15-1:1404   4.50    (#   1404:15  Double Ambig)
 &rst
  ixpk= 1404, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1364, 330,
 igr2=1374,1375, 380,
 &end
#
#   26 GLY  HN           24 THR  HN          4.50    (#   1405:15  Unique         4.08, 4.18 A)
 &rst
  ixpk= 1405, nxpk= 15, iat= 413, 380, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   22 ALA  HA           24 THR  HN          5.50    (#   1407:15  Unique         4.06, 4.27 A)
 &rst
  ixpk= 1407, nxpk= 15, iat= 350, 380, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   93 GLN  HG+          93 GLN  HE2+        4.50    (#   1408:15  Unique         2.21, 3.27 A)
 &rst
  ixpk= 1408, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1369,1370,
 igr2=1374,1375,
 &end
#
#    0 AMB  15-2:1409    24 THR  HN          4.50    (#   1409:15  Single Ambig)
 &rst
  ixpk= 1409, nxpk= 15, iat=  -1, 380, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 494, 495, 496, 498, 499, 500,1863,1864,1865,1867,
      1868,1869, 403, 404, 405, 407, 408, 409,
 &end
#
#    0 AMB  15-2:1410     0 AMB  15-1:1410   4.50    (#   1410:15  Double Ambig)
 &rst
  ixpk= 1410, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 424, 425, 426,1336,
 igr2= 380,1374,1375,
 &end
#
#   23 LYS  HB-          24 THR  HN          4.50    (#   1411:15  Unique         3.99, 4.13 A)
 &rst
  ixpk= 1411, nxpk= 15, iat=  -1, 380, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 362, 363,
 &end
#
#   69 ASN  HA           69 ASN  HD2-        4.50    (#   1412:15  Unique         3.68, 4.39 A)
 &rst
  ixpk= 1412, nxpk= 15, iat=1020,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1027,1028,
 &end
#
#    0 AMB  15-2:1413    69 ASN  HD2-        5.50    (#   1413:15  Single Ambig)
 &rst
  ixpk= 1413, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1056,1044,
 igr2=1027,1028,
 &end
#
#   71 ASP  HB+          69 ASN  HD2-        4.50    (#   1414:15  Unique         2.24, 5.21 A)
 &rst
  ixpk= 1414, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1046,1047,
 igr2=1027,1028,
 &end
#
#   85 ASN  HA           85 ASN  HD2-        4.50    (#   1415:15  Unique         2.44, 3.78 A)
 &rst
  ixpk= 1415, nxpk= 15, iat=1234,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1241,1242,
 &end
#
#   85 ASN  HN           85 ASN  HD2-        5.50    (#   1416:15  Unique         3.73, 4.84 A)
 &rst
  ixpk= 1416, nxpk= 15, iat=1232,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1241,1242,
 &end
#
#  125 ASN  HA          125 ASN  HD2+        4.50    (#   1418:15  Unique         3.24, 3.60 A)
 &rst
  ixpk= 1418, nxpk= 15, iat=1890,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1897,1898,
 &end
#
#  121 GLU  HG-         125 ASN  HD2+        4.50    (#   1419:15  Unique         3.34, 5.72 A)
 &rst
  ixpk= 1419, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1825,1826,
 igr2=1897,1898,
 &end
#
#    0 AMB  15-2:1420     0 AMB  15-1:1420   4.50    (#   1420:15  Double Ambig)
 &rst
  ixpk= 1420, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1=1825,1826,1880,1881,
 igr2=1897,1898,1897,1898,
 &end
#
#  125 ASN  HA          125 ASN  HD2-        5.50    (#   1421:15  Unique         3.24, 3.60 A)
 &rst
  ixpk= 1421, nxpk= 15, iat=1890,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1897,1898,
 &end
#
#  125 ASN  HN          125 ASN  HD2-        4.50    (#   1422:15  Unique         2.33, 3.33 A)
 &rst
  ixpk= 1422, nxpk= 15, iat=1888,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1897,1898,
 &end
#
#  122 ARG  HA          125 ASN  HD2-        5.50    (#   1423:15  Unique         3.00, 4.06 A)
 &rst
  ixpk= 1423, nxpk= 15, iat=1835,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1897,1898,
 &end
#
#  121 GLU  HG-         125 ASN  HD2-        4.50    (#   1424:15  Unique         3.34, 5.72 A)
 &rst
  ixpk= 1424, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1825,1826,
 igr2=1897,1898,
 &end
#
#  100 GLN  HA          100 GLN  HE2+        4.50    (#   1425:15  Unique         2.41, 4.24 A)
 &rst
  ixpk= 1425, nxpk= 15, iat=1486,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1496,1497,
 &end
#
#  100 GLN  HB+         100 GLN  HE2+        4.50    (#   1429:15  Unique         2.14, 4.16 A)
 &rst
  ixpk= 1429, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1488,1489,
 igr2=1496,1497,
 &end
#
#  105 ASP  HA           11 ASN  HD2+        4.50    (#   1431:15  Unique         3.75, 5.12 A)
 &rst
  ixpk= 1431, nxpk= 15, iat=1563,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 200, 201,
 &end
#
#   44 PRO  HD+          11 ASN  HD2+        5.50    (#   1432:15  Unique         5.16, 7.26 A)
 &rst
  ixpk= 1432, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 661, 662,
 igr2= 200, 201,
 &end
#
#   64 PRO  HG+          67 ASN  HD2-        4.50    (#   1434:15  Unique         2.73, 5.34 A)
 &rst
  ixpk= 1434, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 940, 941,
 igr2= 993, 994,
 &end
#
#  118 GLN  HB-         118 GLN  HE2+        4.50    (#   1436:15  Unique         2.87, 4.46 A)
 &rst
  ixpk= 1436, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1767,1768,
 igr2=1775,1776,
 &end
#
#  114 THR  MG2         118 GLN  HE2+        2.80    (#   1437:15  Unique         2.23, 3.81 A)
 &rst
  ixpk= 1437, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1708,1709,1710,
 igr2=1775,1776,
 &end
#
#  101 LEU  MDX         118 GLN  HE2+        4.50    (#   1438:15  Unique         3.50, 7.30 A)
 &rst
  ixpk= 1438, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1510,1511,1512,1514,1515,1516,
 igr2=1775,1776,
 &end
#
#   71 ASP  HN           73 TYR  HN          4.50    (#   1439:15  Unique         4.16, 4.22 A)
 &rst
  ixpk= 1439, nxpk= 15, iat=1042,1066, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  100 GLN  HG+         100 GLN  HN          4.50    (#   1441:15  Unique         1.87, 3.43 A)
 &rst
  ixpk= 1441, nxpk= 15, iat=  -1,1484, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1491,1492,
 &end
#
#   99 TRP  HB-         100 GLN  HN          5.50    (#   1442:15  Unique         3.45, 4.12 A)
 &rst
  ixpk= 1442, nxpk= 15, iat=  -1,1484, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1464,1465,
 &end
#
#   99 TRP  HD1         100 GLN  HN          4.50    (#   1443:15  Unique         4.27, 4.46 A)
 &rst
  ixpk= 1443, nxpk= 15, iat=1468,1484, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   99 TRP  HZ2          99 TRP  HE1         3.50    (#   1444:15  Unique         2.87, 2.91 A)
 &rst
  ixpk= 1444, nxpk= 15, iat=1473,1470, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   97 GLU  HG+          99 TRP  HE1         4.50    (#   1445:15  Unique         2.44, 3.97 A)
 &rst
  ixpk= 1445, nxpk= 15, iat=  -1,1470, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1440,1441,
 &end
#
#    0 AMB  15-2:1446    99 TRP  HE1         5.50    (#   1446:15  Single Ambig)
 &rst
  ixpk= 1446, nxpk= 15, iat=  -1,1470, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1840,1841,1911,1912,1913,1915,1916,1917,
 &end
#
#    0 AMB  15-2:1447    99 TRP  HE1         5.50    (#   1447:15  Single Ambig)
 &rst
  ixpk= 1447, nxpk= 15, iat=  -1,1470, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1400,1401,1402,1407,1408,1409,
 &end
#
#   77 ILE  QD1          99 TRP  HE1         4.50    (#   1448:15  Unique         2.80, 3.74 A)
 &rst
  ixpk= 1448, nxpk= 15, iat=  -1,1470, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1144,1145,1146,
 &end
#
#   77 ILE  QG2          99 TRP  HE1         4.50    (#   1449:15  Unique         3.62, 4.80 A)
 &rst
  ixpk= 1449, nxpk= 15, iat=  -1,1470, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1137,1138,1139,
 &end
#
#    0 AMB  15-2:1450    70 ALA  HN          5.50    (#   1450:15  Single Ambig)
 &rst
  ixpk= 1450, nxpk= 15, iat=  -1,1032, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1044,1056,
 &end
#
#   71 ASP  HB-          70 ALA  HN          5.50    (#   1451:15  Unique         4.48, 5.09 A)
 &rst
  ixpk= 1451, nxpk= 15, iat=  -1,1032, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1046,1047,
 &end
#
#   96 PHE  HB+          76 VAL  HN          5.50    (#   1453:15  Unique         4.05, 4.81 A)
 &rst
  ixpk= 1453, nxpk= 15, iat=  -1,1115, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1417,1418,
 &end
#
#    4 VAL  MGX          76 VAL  HN          5.50    (#   1454:15  Unique         4.49, 6.28 A)
 &rst
  ixpk= 1454, nxpk= 15, iat=  -1,1115, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=  71,  72,  73,  75,  76,  77,
 &end
#
#   20 GLY  HA+          56 ASP  HN          5.50    (#   1458:15  Unique         5.11, 5.55 A)
 &rst
  ixpk= 1458, nxpk= 15, iat=  -1, 833, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 323, 324,
 &end
#
#  100 GLN  HA          100 GLN  HN          4.50    (#   1459:15  Unique         2.82, 2.88 A)
 &rst
  ixpk= 1459, nxpk= 15, iat=1486,1484, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   99 TRP  HB+         100 GLN  HN          4.50    (#   1460:15  Unique         3.45, 4.12 A)
 &rst
  ixpk= 1460, nxpk= 15, iat=  -1,1484, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1464,1465,
 &end
#
#    4 VAL  HB            5 MET  HN          3.50    (#   1461:15  Unique         3.58, 3.62 A)
 &rst
  ixpk= 1461, nxpk= 15, iat=  69,  81, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:1463   102 GLU  HN          5.50    (#   1463:15  Single Ambig)
 &rst
  ixpk= 1463, nxpk= 15, iat=  -1,1520, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1548,1549,1765,
 &end
#
#    6 PHE  HD           33 THR  HN          5.50    (#   1465:15  Unique         2.93, 5.27 A)
 &rst
  ixpk= 1465, nxpk= 15, iat=  -1, 504, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 106, 114,
 &end
#
#    0 AMB  15-2:1466     8 CYS  HN          5.50    (#   1466:15  Single Ambig)
 &rst
  ixpk= 1466, nxpk= 15, iat=  -1, 134, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1= 551, 552, 554, 266, 267,
 &end
#
#   23 LYS  HA           32 VAL  HN          5.50    (#   1468:15  Unique         4.29, 5.02 A)
 &rst
  ixpk= 1468, nxpk= 15, iat= 360, 488, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    7 VAL  MGY           8 CYS  HN          4.50    (#   1469:15  Unique         2.31, 4.42 A)
 &rst
  ixpk= 1469, nxpk= 15, iat=  -1, 134, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 124, 125, 126, 128, 129, 130,
 &end
#
#   36 GLY  HA+           8 CYS  HN          5.50    (#   1470:15  Unique         2.41, 3.94 A)
 &rst
  ixpk= 1470, nxpk= 15, iat=  -1, 134, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 542, 543,
 &end
#
#  118 GLN  HE2+        118 GLN  HN          5.50    (#   1471:15  Unique         3.45, 5.26 A)
 &rst
  ixpk= 1471, nxpk= 15, iat=  -1,1763, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1775,1776,
 &end
#
#  116 ARG  HG+         118 GLN  HN          5.50    (#   1472:15  Unique         4.77, 5.22 A)
 &rst
  ixpk= 1472, nxpk= 15, iat=  -1,1763, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1739,1740,
 &end
#
#    0 AMB  15-2:1473   111 VAL  HN          3.50    (#   1473:15  Single Ambig)
 &rst
  ixpk= 1473, nxpk= 15, iat=  -1,1642, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1584,1585,1634,1635,
 &end
#
#   22 ALA  MB          123 VAL  HN          5.50    (#   1474:15  Unique         6.02, 7.12 A)
 &rst
  ixpk= 1474, nxpk= 15, iat=  -1,1857, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 352, 353, 354,
 &end
#
#    0 AMB  15-2:1475   109 LEU  HN          4.50    (#   1475:15  Single Ambig)
 &rst
  ixpk= 1475, nxpk= 15, iat=  -1,1608, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1631,1632,1584,1585,
 &end
#
#  118 GLN  HA          122 ARG  HN          5.50    (#   1477:15  Unique         4.07, 5.05 A)
 &rst
  ixpk= 1477, nxpk= 15, iat=1765,1833, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:1478   122 ARG  HN          5.50    (#   1478:15  Single Ambig)
 &rst
  ixpk= 1478, nxpk= 15, iat=  -1,1833, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1798,1770,1771,
 &end
#
#    0 AMB  15-2:1479   122 ARG  HN          5.50    (#   1479:15  Single Ambig)
 &rst
  ixpk= 1479, nxpk= 15, iat=  -1,1833, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1477,1468,
 &end
#
#   71 ASP  HB-          73 TYR  HN          5.50    (#   1480:15  Unique         4.95, 5.31 A)
 &rst
  ixpk= 1480, nxpk= 15, iat=  -1,1066, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1046,1047,
 &end
#
#   90 TRP  HA           93 GLN  HE2+        4.50    (#   1492:15  Unique         3.12, 3.92 A)
 &rst
  ixpk= 1492, nxpk= 15, iat=1310,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1374,1375,
 &end
#
#   55 ILE  QD1          24 THR  HN          5.50    (#   1493:15  Unique         4.57, 5.45 A)
 &rst
  ixpk= 1493, nxpk= 15, iat=  -1, 380, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 827, 828, 829,
 &end
#
#   55 ILE  QG2          24 THR  HN          5.50    (#   1494:15  Unique         5.90, 6.81 A)
 &rst
  ixpk= 1494, nxpk= 15, iat=  -1, 380, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 820, 821, 822,
 &end
#
#   93 GLN  HB-          93 GLN  HE2+        3.50    (#   1495:15  Unique         4.21, 4.62 A)
 &rst
  ixpk= 1495, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1366,1367,
 igr2=1374,1375,
 &end
#
#   89 GLU  HB+          93 GLN  HE2-        4.50    (#   1496:15  Unique         4.15, 5.05 A)
 &rst
  ixpk= 1496, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1297,1298,
 igr2=1374,1375,
 &end
#
#   76 VAL  MGX          93 GLN  HE2-        5.50    (#   1497:15  Unique         3.87, 5.95 A)
 &rst
  ixpk= 1497, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1121,1122,1123,1125,1126,1127,
 igr2=1374,1375,
 &end
#
#   89 GLU  HA           93 GLN  HE2-        5.50    (#   1498:15  Unique         3.96, 4.72 A)
 &rst
  ixpk= 1498, nxpk= 15, iat=1295,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1374,1375,
 &end
#
#   90 TRP  HA           93 GLN  HE2-        4.50    (#   1499:15  Unique         3.12, 3.92 A)
 &rst
  ixpk= 1499, nxpk= 15, iat=1310,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1374,1375,
 &end
#
#   93 GLN  HA           93 GLN  HE2-        4.50    (#   1500:15  Unique         3.22, 3.59 A)
 &rst
  ixpk= 1500, nxpk= 15, iat=1364,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1374,1375,
 &end
#
#   93 GLN  HN           93 GLN  HE2-        5.50    (#   1501:15  Unique         2.16, 3.28 A)
 &rst
  ixpk= 1501, nxpk= 15, iat=1362,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1374,1375,
 &end
#
#    0 AMB  15-2:1502    93 GLN  HE2-        5.50    (#   1502:15  Single Ambig)
 &rst
  ixpk= 1502, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1379,1032,
 igr2=1374,1375,
 &end
#
#   85 ASN  HN           85 ASN  HD2+        5.50    (#   1506:15  Unique         3.73, 4.84 A)
 &rst
  ixpk= 1506, nxpk= 15, iat=1232,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1241,1242,
 &end
#
#   85 ASN  HA           85 ASN  HD2+        5.50    (#   1507:15  Unique         2.44, 3.78 A)
 &rst
  ixpk= 1507, nxpk= 15, iat=1234,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1241,1242,
 &end
#
#   84 VAL  HA           85 ASN  HD2+        5.50    (#   1508:15  Unique         5.57, 6.52 A)
 &rst
  ixpk= 1508, nxpk= 15, iat=1218,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1241,1242,
 &end
#
#   90 TRP  HN           90 TRP  HE1         5.50    (#   1511:15  Unique         4.28, 4.52 A)
 &rst
  ixpk= 1511, nxpk= 15, iat=1308,1318, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   90 TRP  HH2          90 TRP  HE1         5.50    (#   1512:15  Unique         5.02, 5.04 A)
 &rst
  ixpk= 1512, nxpk= 15, iat=1323,1318, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   69 ASN  HA           90 TRP  HE1         5.50    (#   1513:15  Unique         4.14, 4.38 A)
 &rst
  ixpk= 1513, nxpk= 15, iat=1020,1318, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:1514    90 TRP  HE1         5.50    (#   1514:15  Single Ambig)
 &rst
  ixpk= 1514, nxpk= 15, iat=  -1,1318, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 971,1248,
 &end
#
#   87 PRO  HD+          90 TRP  HE1         5.50    (#   1515:15  Unique         3.15, 4.06 A)
 &rst
  ixpk= 1515, nxpk= 15, iat=  -1,1318, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1266,1267,
 &end
#
#   89 GLU  HB-          90 TRP  HE1         5.50    (#   1516:15  Unique         2.96, 4.05 A)
 &rst
  ixpk= 1516, nxpk= 15, iat=  -1,1318, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1297,1298,
 &end
#
#   27 ALA  HN           25 LEU  HN          5.50    (#   1517:15  Unique         4.01, 4.20 A)
 &rst
  ixpk= 1517, nxpk= 15, iat= 420, 394, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   90 TRP  HA           71 ASP  HN          5.50    (#   1518:15  Unique         4.80, 5.00 A)
 &rst
  ixpk= 1518, nxpk= 15, iat=1310,1042, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:1522    27 ALA  HN          4.50    (#   1522:15  Single Ambig)
 &rst
  ixpk= 1522, nxpk= 15, iat=  -1, 420, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 403, 404, 405, 407, 408, 409, 494, 495, 496, 498,
       499, 500,
 &end
#
#    0 AMB  15-2:1523    36 GLY  HN          5.50    (#   1523:15  Single Ambig)
 &rst
  ixpk= 1523, nxpk= 15, iat=  -1, 540, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 138, 139,1002,1003,
 &end
#
#   49 MET  HB-          50 MET  HN          5.50    (#   1525:15  Unique         2.73, 3.40 A)
 &rst
  ixpk= 1525, nxpk= 15, iat=  -1, 744, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 731, 732,
 &end
#
#   94 GLU  HN           75 VAL  HN          5.50    (#   1528:15  Unique         4.59, 4.77 A)
 &rst
  ixpk= 1528, nxpk= 15, iat=1379,1099, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    2 LYS  HE+         131 SER  HN          5.50    (#   1531:15  Unique         3.88, 5.21 A)
 &rst
  ixpk= 1531, nxpk= 15, iat=  -1,1991, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  34,  35,
 &end
#
#  128 ALA  MB          125 ASN  HD2-        5.50    (#   1535:15  Unique         5.84, 6.57 A)
 &rst
  ixpk= 1535, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1944,1945,1946,
 igr2=1897,1898,
 &end
#
#  122 ARG  HG-         125 ASN  HD2-        5.50    (#   1536:15  Unique         4.41, 6.22 A)
 &rst
  ixpk= 1536, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1840,1841,
 igr2=1897,1898,
 &end
#
#  122 ARG  HB-         125 ASN  HD2-        5.50    (#   1537:15  Unique         5.44, 6.65 A)
 &rst
  ixpk= 1537, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1837,1838,
 igr2=1897,1898,
 &end
#
#  100 GLN  HA          100 GLN  HE2-        4.50    (#   1538:15  Unique         2.41, 4.24 A)
 &rst
  ixpk= 1538, nxpk= 15, iat=1486,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1496,1497,
 &end
#
#  100 GLN  HG+         100 GLN  HE2-        4.50    (#   1539:15  Unique         2.22, 3.42 A)
 &rst
  ixpk= 1539, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1491,1492,
 igr2=1496,1497,
 &end
#
#    0 AMB  15-2:1540   100 GLN  HE2-        4.50    (#   1540:15  Single Ambig)
 &rst
  ixpk= 1540, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1491,1492,1165,1166,
 igr2=1496,1497,
 &end
#
#  122 ARG  HG-         125 ASN  HD2+        5.50    (#   1543:15  Unique         4.41, 6.22 A)
 &rst
  ixpk= 1543, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1840,1841,
 igr2=1897,1898,
 &end
#
#  122 ARG  HB-         125 ASN  HD2+        5.50    (#   1544:15  Unique         5.44, 6.65 A)
 &rst
  ixpk= 1544, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1837,1838,
 igr2=1897,1898,
 &end
#
#  125 ASN  HN          125 ASN  HD2+        4.50    (#   1545:15  Unique         2.33, 3.33 A)
 &rst
  ixpk= 1545, nxpk= 15, iat=1888,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1897,1898,
 &end
#
#  126 LEU  HN          125 ASN  HD2+        5.50    (#   1546:15  Unique         4.61, 5.41 A)
 &rst
  ixpk= 1546, nxpk= 15, iat=1902,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1897,1898,
 &end
#
#   68 PHE  HD           67 ASN  HD2+        3.50    (#   1552:15  Unique         2.48, 4.31 A)
 &rst
  ixpk= 1552, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1006,1014,
 igr2= 993, 994,
 &end
#
#   67 ASN  HA           67 ASN  HD2-        5.50    (#   1553:15  Unique         4.13, 4.64 A)
 &rst
  ixpk= 1553, nxpk= 15, iat= 986,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 993, 994,
 &end
#
#   64 PRO  HD+          67 ASN  HD2+        4.50    (#   1554:15  Unique         2.25, 4.31 A)
 &rst
  ixpk= 1554, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 937, 938,
 igr2= 993, 994,
 &end
#
#   64 PRO  HB-          67 ASN  HD2+        5.50    (#   1555:15  Unique         3.51, 5.39 A)
 &rst
  ixpk= 1555, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 943, 944,
 igr2= 993, 994,
 &end
#
#   71 ASP  HB+          69 ASN  HD2+        4.50    (#   1557:15  Unique         2.24, 5.21 A)
 &rst
  ixpk= 1557, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1046,1047,
 igr2=1027,1028,
 &end
#
#   69 ASN  HA           69 ASN  HD2+        4.50    (#   1558:15  Unique         3.68, 4.39 A)
 &rst
  ixpk= 1558, nxpk= 15, iat=1020,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1027,1028,
 &end
#
#   69 ASN  HN           69 ASN  HD2-        5.50    (#   1559:15  Unique         2.96, 3.87 A)
 &rst
  ixpk= 1559, nxpk= 15, iat=1018,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1027,1028,
 &end
#
#   69 ASN  HN           69 ASN  HD2+        5.50    (#   1560:15  Unique         2.96, 3.87 A)
 &rst
  ixpk= 1560, nxpk= 15, iat=1018,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1027,1028,
 &end
#
#  102 GLU  HB-         107 GLN  HE2-        4.50    (#   1562:15  Unique         4.08, 6.04 A)
 &rst
  ixpk= 1562, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1524,1525,
 igr2=1592,1593,
 &end
#
#  114 THR  MG2         118 GLN  HE2-        4.50    (#   1564:15  Unique         2.23, 3.81 A)
 &rst
  ixpk= 1564, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1708,1709,1710,
 igr2=1775,1776,
 &end
#
#  118 GLN  HG-         118 GLN  HE2-        4.50    (#   1565:15  Unique         2.21, 3.23 A)
 &rst
  ixpk= 1565, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1770,1771,
 igr2=1775,1776,
 &end
#
#  118 GLN  HG+         118 GLN  HE2-        4.50    (#   1566:15  Unique         2.21, 3.23 A)
 &rst
  ixpk= 1566, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1770,1771,
 igr2=1775,1776,
 &end
#
#   84 VAL  HA           85 ASN  HD2-        5.50    (#   1567:15  Unique         5.57, 6.52 A)
 &rst
  ixpk= 1567, nxpk= 15, iat=1218,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1241,1242,
 &end
#
#    0 AMB  15-2:1577     0 AMB  15-1:1577   4.50    (#   1577:15  Double Ambig)
 &rst
  ixpk= 1577, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
 igr1= 633, 634, 635, 637, 638, 639, 556, 557, 558, 560,
       561, 562,
 igr2= 274, 275, 274, 275,
 &end
#
#   42 VAL  MGY          16 GLN  HE2-        5.50    (#   1578:15  Unique         2.02, 6.20 A)
 &rst
  ixpk= 1578, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 633, 634, 635, 637, 638, 639,
 igr2= 274, 275,
 &end
#
#   31 ALA  HA            1 MET  HN          5.50    (#   1585:15  Unique         4.72, 5.52 A)
 &rst
  ixpk= 1585, nxpk= 15, iat= 480,   2, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   15 SER  HN           16 GLN  HN          5.50    (#   1587:15  Unique         2.14, 2.49 A)
 &rst
  ixpk= 1587, nxpk= 15, iat= 251, 262, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   17 MET  HA           16 GLN  HN          5.50    (#   1588:15  Unique         5.16, 5.27 A)
 &rst
  ixpk= 1588, nxpk= 15, iat= 281, 262, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:1589    16 GLN  HN          5.50    (#   1589:15  Single Ambig)
 &rst
  ixpk= 1589, nxpk= 15, iat=  -1, 262, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 255, 256, 264,
 &end
#
#   99 TRP  HN          100 GLN  HN          5.50    (#   1594:15  Unique         3.57, 4.11 A)
 &rst
  ixpk= 1594, nxpk= 15, iat=1460,1484, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   93 GLN  HG+          93 GLN  HN          3.50    (#   1595:15  Unique         1.88, 2.98 A)
 &rst
  ixpk= 1595, nxpk= 15, iat=  -1,1362, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1369,1370,
 &end
#
#   14 ARG  HN           15 SER  HN          4.50    (#   1596:15  Unique         1.73, 2.56 A)
 &rst
  ixpk= 1596, nxpk= 15, iat= 227, 251, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  113 ARG  HD+         113 ARG  HN          4.50    (#   1598:15  Unique         3.17, 4.38 A)
 &rst
  ixpk= 1598, nxpk= 15, iat=  -1,1678, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1688,1689,
 &end
#
#    0 AMB  15-2:1599   122 ARG  HN          5.50    (#   1599:15  Single Ambig)
 &rst
  ixpk= 1599, nxpk= 15, iat=  -1,1833, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1859,1758,1759,
 &end
#
#   84 VAL  MGY          85 ASN  HD2-        5.50    (#   1600:15  Unique         4.87, 7.99 A)
 &rst
  ixpk= 1600, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1222,1223,1224,1226,1227,1228,
 igr2=1241,1242,
 &end
#
#   57 ILE  QG2          60 GLN  HE2-        5.50    (#   1603:15  Unique         2.51, 4.28 A)
 &rst
  ixpk= 1603, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 851, 852, 853,
 igr2= 894, 895,
 &end
#
#   19 GLU  HB+          60 GLN  HE2-        4.50    (#   1604:15  Unique         1.88, 3.20 A)
 &rst
  ixpk= 1604, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 310, 311,
 igr2= 894, 895,
 &end
#
#    0 AMB  15-2:1605    60 GLN  HE2-        5.50    (#   1605:15  Single Ambig)
 &rst
  ixpk= 1605, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 362, 363, 492,
 igr2= 894, 895,
 &end
#
#   60 GLN  HB+          60 GLN  HE2-        4.50    (#   1607:15  Unique         1.92, 3.51 A)
 &rst
  ixpk= 1607, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 886, 887,
 igr2= 894, 895,
 &end
#
#   20 GLY  HN           60 GLN  HE2-        4.50    (#   1610:15  Unique         2.62, 4.20 A)
 &rst
  ixpk= 1610, nxpk= 15, iat= 321,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 894, 895,
 &end
#
#   20 GLY  HN           60 GLN  HE2+        4.50    (#   1612:15  Unique         2.62, 4.20 A)
 &rst
  ixpk= 1612, nxpk= 15, iat= 321,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 894, 895,
 &end
#
#   99 TRP  HD1          99 TRP  HN          5.50    (#   1613:15  Unique         3.30, 3.73 A)
 &rst
  ixpk= 1613, nxpk= 15, iat=1468,1460, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:1614    17 MET  HN          5.50    (#   1614:15  Single Ambig)
 &rst
  ixpk= 1614, nxpk= 15, iat=  -1, 279, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 264, 255, 256,
 &end
#
#    0 AMB  15-2:1615    17 MET  HN          4.50    (#   1615:15  Single Ambig)
 &rst
  ixpk= 1615, nxpk= 15, iat=  -1, 279, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 281, 229, 253,
 &end
#
#   17 MET  HG+          17 MET  HN          4.50    (#   1616:15  Unique         4.09, 4.44 A)
 &rst
  ixpk= 1616, nxpk= 15, iat=  -1, 279, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 286, 287,
 &end
#
#   16 GLN  HN           17 MET  HN          5.50    (#   1617:15  Unique         2.49, 2.63 A)
 &rst
  ixpk= 1617, nxpk= 15, iat= 262, 279, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   18 ALA  HN           17 MET  HN          4.50    (#   1618:15  Unique         2.50, 2.69 A)
 &rst
  ixpk= 1618, nxpk= 15, iat= 296, 279, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   17 MET  HB+          17 MET  HN          3.50    (#   1619:15  Unique         2.21, 2.54 A)
 &rst
  ixpk= 1619, nxpk= 15, iat=  -1, 279, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 283, 284,
 &end
#
#   17 MET  HB-          17 MET  HN          3.50    (#   1620:15  Unique         2.21, 2.54 A)
 &rst
  ixpk= 1620, nxpk= 15, iat=  -1, 279, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 283, 284,
 &end
#
#   57 ILE  QD1          17 MET  HN          5.50    (#   1621:15  Unique         3.25, 4.57 A)
 &rst
  ixpk= 1621, nxpk= 15, iat=  -1, 279, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 858, 859, 860,
 &end
#
#   16 GLN  HB+          17 MET  HN          5.50    (#   1622:15  Unique         2.70, 3.79 A)
 &rst
  ixpk= 1622, nxpk= 15, iat=  -1, 279, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 266, 267,
 &end
#
#    8 CYS  HB+           8 CYS  HN          5.50    (#   1624:15  Unique         2.18, 3.03 A)
 &rst
  ixpk= 1624, nxpk= 15, iat=  -1, 134, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 138, 139,
 &end
#
#    0 AMB  15-2:1625    15 SER  HN          5.50    (#   1625:15  Single Ambig)
 &rst
  ixpk= 1625, nxpk= 15, iat=  -1, 251, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 255, 256, 138, 139,
 &end
#
#   36 GLY  HA+          37 LEU  HN          4.50    (#   1626:15  Unique         2.21, 3.02 A)
 &rst
  ixpk= 1626, nxpk= 15, iat=  -1, 547, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 542, 543,
 &end
#
#   36 GLY  HA-          37 LEU  HN          4.50    (#   1627:15  Unique         2.21, 3.02 A)
 &rst
  ixpk= 1627, nxpk= 15, iat=  -1, 547, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 542, 543,
 &end
#
#   62 SER  HB+          62 SER  HN          3.50    (#   1628:15  Unique         2.21, 3.51 A)
 &rst
  ixpk= 1628, nxpk= 15, iat=  -1, 913, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 917, 918,
 &end
#
#   67 ASN  HD2+         68 PHE  HN          5.50    (#   1629:15  Unique         3.12, 3.98 A)
 &rst
  ixpk= 1629, nxpk= 15, iat=  -1, 998, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 993, 994,
 &end
#
#   38 GLU  HG-          39 SER  HN          5.50    (#   1632:15  Unique         1.86, 4.34 A)
 &rst
  ixpk= 1632, nxpk= 15, iat=  -1, 581, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 573, 574,
 &end
#
#   56 ASP  HB-          57 ILE  HN          5.50    (#   1634:15  Unique         2.42, 4.24 A)
 &rst
  ixpk= 1634, nxpk= 15, iat=  -1, 845, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 837, 838,
 &end
#
#   56 ASP  HB+          58 SER  HN          5.50    (#   1635:15  Unique         3.49, 4.54 A)
 &rst
  ixpk= 1635, nxpk= 15, iat=  -1, 864, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 837, 838,
 &end
#
#   63 ASP  HN           62 SER  HN          5.50    (#   1639:15  Unique         1.78, 2.84 A)
 &rst
  ixpk= 1639, nxpk= 15, iat= 924, 913, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:1640    67 ASN  HN          5.50    (#   1640:15  Single Ambig)
 &rst
  ixpk= 1640, nxpk= 15, iat=  -1, 984, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1= 956, 957, 958, 960, 961,
 &end
#
#   65 ILE  HA           68 PHE  HN          3.50    (#   1641:15  Unique         3.56, 3.70 A)
 &rst
  ixpk= 1641, nxpk= 15, iat= 952, 998, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   70 ALA  MB           92 THR  HN          5.50    (#   1642:15  Unique         5.24, 6.09 A)
 &rst
  ixpk= 1642, nxpk= 15, iat=  -1,1348, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1036,1037,1038,
 &end
#
#   86 LEU  HA           85 ASN  HN          5.50    (#   1650:15  Unique         4.59, 5.01 A)
 &rst
  ixpk= 1650, nxpk= 15, iat=1248,1232, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  100 GLN  HB+         100 GLN  HE2-        5.50    (#   1655:15  Unique         2.14, 4.16 A)
 &rst
  ixpk= 1655, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1488,1489,
 igr2=1496,1497,
 &end
#
#  125 ASN  HA          128 ALA  HN          3.50    (#    212:15  Double Ambig)
 &rst
  ixpk= 212, nxpk= 15, iat=1890,1940, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:219    124 GLU  HN          2.80    (#    219:15  Double Ambig)
 &rst
  ixpk= 219, nxpk= 15, iat=  -1,1873, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1875,1859,
 &end
#
#  124 GLU  HG+         124 GLU  HN          4.50    (#    220:15  Double Ambig )
 &rst
  ixpk= 220, nxpk= 15, iat=  -1,1873, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1880,1881,
 &end
#
#   81 GLY  HA+          82 CYS  HN          2.80    (#    351:15  Unique         2.84, 3.25 A)
 &rst
  ixpk= 351, nxpk= 15, iat=  -1,1198, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1193,1194,
 &end
#
#  110 GLU  HB-         110 GLU  HN          2.80    (#    364:15  Unique         2.08, 2.60 A)
 &rst
  ixpk= 364, nxpk= 15, iat=  -1,1627, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1631,1632,
 &end
#
#  111 VAL  HN          110 GLU  HN          2.80    (#    578:15  Double Ambig)
 &rst
  ixpk= 578, nxpk= 15, iat=1642,1627, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:795    128 ALA  HN          4.50    (#    795:15  Single Ambig)
 &rst
  ixpk= 795, nxpk= 15, iat=  -1,1940, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1875,1995,1996,
 &end
#
#  109 LEU  MDY         110 GLU  HN          4.50    (#   1243:15  Double Ambig)
 &rst
  ixpk= 1243, nxpk= 15, iat=  -1,1627, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1617,1618,1619,1621,1622,1623,
 &end
#
#   85 ASN  HB+          85 ASN  HD2-        4.50    (#   1417:15  Double Ambig)
 &rst
  ixpk= 1417, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1236,1237,
 igr2=1241,1242,
 &end
#
#    0 AMB  15-2:1526    50 MET  HN          5.50    (#   1526:15  Double Ambig)
 &rst
  ixpk= 1526, nxpk= 15, iat=  -1, 744, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 855, 856, 797, 798, 799, 801, 802, 803,
 &end
#
#   71 ASP  HB-          69 ASN  HD2+        4.50    (#   1556:15  Unique         2.24, 5.21 A)
 &rst
  ixpk= 1556, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1046,1047,
 igr2=1027,1028,
 &end
#
#   60 GLN  HN           58 SER  HN          5.50    (#   1636:15  Unique         3.87, 4.43 A)
 &rst
  ixpk= 1636, nxpk= 15, iat= 882, 864, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   79 LEU  MDX          79 LEU  HN          5.50    (#   1656:15  Unique         2.68, 5.11 A)
 &rst
  ixpk= 1656, nxpk= 15, iat=  -1,1161, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1170,1171,1172,1174,1175,1176,
 &end
#
#   33 THR  MG2           6 PHE  HN          5.50    (#    660:15  Single Ambig)
 &rst
  ixpk= 660, nxpk= 15, iat=  -1,  98, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 510, 511, 512,
 &end
#
#   76 VAL  MGY           6 PHE  HN          5.50    (#   1657:15  Single Ambig)
 &rst
  ixpk= 1657, nxpk= 15, iat=  -1,  98, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1121,1122,1123,1125,1126,1127,
 &end
#
#    6 PHE  HB+           6 PHE  HN          3.50    (#   1658:15  Unique         2.46, 3.12 A)
 &rst
  ixpk= 1658, nxpk= 15, iat=  -1,  98, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 102, 103,
 &end
#
#   34 SER  HB+           6 PHE  HN          5.50    (#    657:15  Single Ambig)
 &rst
  ixpk= 657, nxpk= 15, iat=  -1,  98, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 522, 523,
 &end
#
#   33 THR  HB            6 PHE  HN          5.50    (#   1659:15  Single Ambig)
 &rst
  ixpk= 1659, nxpk= 15, iat= 508,  98, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   35 CYS  HN            8 CYS  HN          3.50    (#    614:15  Double Ambig)
 &rst
  ixpk= 614, nxpk= 15, iat= 529, 134, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    8 CYS  HN           35 CYS  HN          5.50    (#    776:15  Single Ambig)
 &rst
  ixpk= 776, nxpk= 15, iat= 134, 529, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   34 SER  HN           35 CYS  HN          5.50    (#   1660:15  Single Ambig)
 &rst
  ixpk= 1660, nxpk= 15, iat= 518, 529, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   41 ARG  HG+          41 ARG  HN          5.50    (#   1661:15  Unique         2.17, 3.45 A)
 &rst
  ixpk= 1661, nxpk= 15, iat=  -1, 603, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 610, 611,
 &end
#
#   41 ARG  HA           41 ARG  HN          5.50    (#    828:15  Unique         2.17, 3.45 A)
 &rst
  ixpk= 828, nxpk= 15, iat= 605, 603, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   41 ARG  HB+          42 VAL  HN          3.50    (#     86:15  Single Ambig)
 &rst
  ixpk= 86, nxpk= 15, iat=  -1, 627, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 607, 608,
 &end
#
#   42 VAL  HB           42 VAL  HN          3.50    (#   1662:15  Single Ambig)
 &rst
  ixpk= 1662, nxpk= 15, iat= 631, 627, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   42 VAL  MGY          42 VAL  HN          3.50    (#     87:15  Single Ambig)
 &rst
  ixpk= 87, nxpk= 15, iat=  -1, 627, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 633, 634, 635, 637, 638, 639,
 &end
#
#   37 LEU  MDX          42 VAL  HN          3.50    (#   1663:15  Single Ambig)
 &rst
  ixpk= 1663, nxpk= 15, iat=  -1, 627, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 556, 557, 558, 560, 561, 562,
 &end
#
#   58 SER  HB-          58 SER  HN          3.50    (#    939:15  Double Ambig)
 &rst
  ixpk= 939, nxpk= 15, iat=  -1, 864, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 868, 869,
 &end
#
#   62 SER  HB-          62 SER  HN          3.50    (#   1664:15  Double Ambig)
 &rst
  ixpk= 1664, nxpk= 15, iat=  -1, 913, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 917, 918,
 &end
#
#   60 GLN  HG+          58 SER  HN          4.50    (#    940:15  Double Ambig)
 &rst
  ixpk= 940, nxpk= 15, iat=  -1, 864, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 889, 890,
 &end
#
#   57 ILE  HB           58 SER  HN          4.50    (#   1665:15  Double Ambig)
 &rst
  ixpk= 1665, nxpk= 15, iat= 849, 864, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   58 SER  HN           60 GLN  HN          4.50    (#   1637:15  Single Ambig)
 &rst
  ixpk= 1637, nxpk= 15, iat= 864, 882, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   57 ILE  HN           60 GLN  HN          5.50    (#   1666:15  Single Ambig)
 &rst
  ixpk= 1666, nxpk= 15, iat= 845, 882, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   60 GLN  HE2-         61 THR  HN          5.50    (#   1638:15  Single Ambig)
 &rst
  ixpk= 1638, nxpk= 15, iat=  -1, 899, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 894, 895,
 &end
#
#   60 GLN  HE2+         61 THR  HN          5.50    (#   1668:15  Single Ambig)
 &rst
  ixpk= 1668, nxpk= 15, iat=  -1, 899, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 894, 895,
 &end
#
#   37 LEU  MDX          61 THR  HN          4.50    (#    963:15  Single Ambig)
 &rst
  ixpk= 963, nxpk= 15, iat=  -1, 899, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 556, 557, 558, 560, 561, 562,
 &end
#
#   42 VAL  MGY          61 THR  HN          4.50    (#   1669:15  Single Ambig)
 &rst
  ixpk= 1669, nxpk= 15, iat=  -1, 899, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 633, 634, 635, 637, 638, 639,
 &end
#
#   61 THR  HA           61 THR  HN          3.50    (#    494:15  Single Ambig)
 &rst
  ixpk= 494, nxpk= 15, iat= 901, 899, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   60 GLN  HA           61 THR  HN          3.50    (#   1670:15  Single Ambig)
 &rst
  ixpk= 1670, nxpk= 15, iat= 884, 899, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    5 MET  HN           77 ILE  HN          4.50    (#   1067:15  Single Ambig)
 &rst
  ixpk= 1067, nxpk= 15, iat=  81,1131, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    7 VAL  HN           77 ILE  HN          4.50    (#   1671:15  Single Ambig)
 &rst
  ixpk= 1671, nxpk= 15, iat= 118,1131, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   76 VAL  HB           77 ILE  HN          5.50    (#   1672:15  Single Ambig)
 &rst
  ixpk= 1672, nxpk= 15, iat=1119,1131, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   77 ILE  HG1-         77 ILE  HN          3.50    (#   1074:15  Single Ambig)
 &rst
  ixpk= 1074, nxpk= 15, iat=  -1,1131, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1141,1142,
 &end
#
#    7 VAL  MGX          77 ILE  HN          3.50    (#   1673:15  Single Ambig)
 &rst
  ixpk= 1673, nxpk= 15, iat=  -1,1131, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 124, 125, 126, 128, 129, 130,
 &end
#
#   77 ILE  QD1          77 ILE  HN          4.50    (#   1076:15  Single Ambig)
 &rst
  ixpk= 1076, nxpk= 15, iat=  -1,1131, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1144,1145,1146,
 &end
#
#    7 VAL  MGY          77 ILE  HN          4.50    (#   1674:15  Single Ambig)
 &rst
  ixpk= 1674, nxpk= 15, iat=  -1,1131, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 124, 125, 126, 128, 129, 130,
 &end
#
#   79 LEU  HN           78 SER  HN          5.50    (#   1675:15  Unique         3.89, 4.25 A)
 &rst
  ixpk= 1675, nxpk= 15, iat=1161,1150, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   79 LEU  HA           79 LEU  HN          4.50    (#   1087:15  Single Ambig)
 &rst
  ixpk= 1087, nxpk= 15, iat=1163,1161, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   78 SER  HA           79 LEU  HN          4.50    (#   1676:15  Single Ambig)
 &rst
  ixpk= 1676, nxpk= 15, iat=1152,1161, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   80 CYS  HA           80 CYS  HN          5.50    (#   1677:15  Unique         2.44, 3.26 A)
 &rst
  ixpk= 1677, nxpk= 15, iat=1182,1180, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   84 VAL  MGX          82 CYS  HN          4.50    (#   1108:15  Single Ambig)
 &rst
  ixpk= 1108, nxpk= 15, iat=  -1,1198, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1222,1223,1224,1226,1227,1228,
 &end
#
#   84 VAL  MGY          82 CYS  HN          4.50    (#   1678:15  Single Ambig)
 &rst
  ixpk= 1678, nxpk= 15, iat=  -1,1198, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1222,1223,1224,1226,1227,1228,
 &end
#
#   82 CYS  HB-          82 CYS  HN          2.80    (#   1679:15  Unique         2.26, 3.15 A)
 &rst
  ixpk= 1679, nxpk= 15, iat=  -1,1198, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1202,1203,
 &end
#
#   84 VAL  MGX          84 VAL  HN          2.80    (#    282:15  Single Ambig)
 &rst
  ixpk= 282, nxpk= 15, iat=  -1,1216, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1222,1223,1224,1226,1227,1228,
 &end
#
#   84 VAL  MGY          84 VAL  HN          2.80    (#   1680:15  Single Ambig)
 &rst
  ixpk= 1680, nxpk= 15, iat=  -1,1216, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1222,1223,1224,1226,1227,1228,
 &end
#
#   84 VAL  HA           84 VAL  HN          2.80    (#    279:15  Single Ambig)
 &rst
  ixpk= 279, nxpk= 15, iat=1218,1216, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   83 GLY  HA+          84 VAL  HN          2.80    (#   1681:15  Single Ambig)
 &rst
  ixpk= 1681, nxpk= 15, iat=  -1,1216, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1211,1212,
 &end
#
#   86 LEU  MDY          80 CYS  HN          5.50    (#   1096:15  Single Ambig)
 &rst
  ixpk= 1096, nxpk= 15, iat=  -1,1180, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1255,1256,1257,1259,1260,1261,
 &end
#
#   79 LEU  MDX          80 CYS  HN          5.50    (#   1682:15  Single Ambig)
 &rst
  ixpk= 1682, nxpk= 15, iat=  -1,1180, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1170,1171,1172,1174,1175,1176,
 &end
#
#   84 VAL  MGY          80 CYS  HN          5.50    (#   1683:15  Single Ambig)
 &rst
  ixpk= 1683, nxpk= 15, iat=  -1,1180, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1222,1223,1224,1226,1227,1228,
 &end
#
#   57 ILE  HB           60 GLN  HE2-        4.50    (#   1606:15  Single Ambig)
 &rst
  ixpk= 1606, nxpk= 15, iat= 849,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 894, 895,
 &end
#
#   60 GLN  HG+          60 GLN  HE2-        4.50    (#   1684:15  Single Ambig)
 &rst
  ixpk= 1684, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 889, 890,
 igr2= 894, 895,
 &end
#
#  127 ILE  HN          128 ALA  HN          2.80    (#    584:15  Double Ambig)
 &rst
  ixpk= 584, nxpk= 15, iat=1921,1940, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   89 GLU  HA           90 TRP  HN          3.50    (#    356:15  Double Ambig)
 &rst
  ixpk= 356, nxpk= 15, iat=1295,1308, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   46 ALA  HA           47 ILE  HN          3.50    (#   1685:15  Double Ambig)
 &rst
  ixpk= 1685, nxpk= 15, iat= 690, 698, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   90 TRP  HA           91 VAL  HN          3.50    (#   1686:15  Single Ambig)
 &rst
  ixpk= 1686, nxpk= 15, iat=1310,1332, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   90 TRP  HA           92 THR  HN          4.50    (#   1687:25  Single Ambig)
 &rst
  ixpk= 1687, nxpk= 25, iat=1310,1348, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   84 VAL  MGX          81 GLY  HN          5.50    (#   1692:15  Single Ambig)
 &rst
  ixpk= 1692, nxpk= 15, iat=  -1,1191, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1222,1223,1224,1226,1227,1228,
 &end
#
#   84 VAL  MGY          81 GLY  HN          5.50    (#   1693:15  Single Ambig)
 &rst
  ixpk= 1693, nxpk= 15, iat=  -1,1191, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1222,1223,1224,1226,1227,1228,
 &end
#
#   81 GLY  HN          100 GLN  HE2-        5.50    (#   1542:15  Unique         2.85, 5.73 A)
 &rst
  ixpk= 1542, nxpk= 15, iat=1191,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1496,1497,
 &end
#
#   81 GLY  HN          100 GLN  HE2+        5.50    (#   1547:15  Unique         2.85, 5.73 A)
 &rst
  ixpk= 1547, nxpk= 15, iat=1191,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1496,1497,
 &end
#
#   81 GLY  HA-         101 LEU  HN          5.50    (#   1214:15  Single Ambig)
 &rst
  ixpk= 1214, nxpk= 15, iat=  -1,1501, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1193,1194,
 &end
#
#  101 LEU  HN           81 GLY  HN          5.50    (#   1694:15  Unique         1.60, 2.32 A)
 &rst
  ixpk= 1694, nxpk= 15, iat=1501,1191, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   79 LEU  MDX          81 GLY  HN          5.50    (#   1104:15  Single Ambig)
 &rst
  ixpk= 1104, nxpk= 15, iat=  -1,1191, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1170,1171,1172,1174,1175,1176,
 &end
#
#   80 CYS  HB-          81 GLY  HN          4.50    (#   1102:15  Single Ambig)
 &rst
  ixpk= 1102, nxpk= 15, iat=  -1,1191, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1184,1185,
 &end
#
#  100 GLN  HN           82 CYS  HN          4.50    (#   1695:15  Unique         1.76, 2.43 A)
 &rst
  ixpk= 1695, nxpk= 15, iat=1484,1198, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  100 GLN  HA           82 CYS  HN          3.50    (#    352:15  Double Ambig)
 &rst
  ixpk= 352, nxpk= 15, iat=1486,1198, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  109 LEU  HA          110 GLU  HN          3.50    (#   1696:15  Double Ambig)
 &rst
  ixpk= 1696, nxpk= 15, iat=1610,1627, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   82 CYS  HB+         100 GLN  HE2+        5.50    (#   1428:15  Double Ambig)
 &rst
  ixpk= 1428, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1202,1203,
 igr2=1496,1497,
 &end
#
#   98 ASP  HB+         100 GLN  HE2+        5.50    (#   1698:15  Double Ambig)
 &rst
  ixpk= 1698, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1452,1453,
 igr2=1496,1497,
 &end
#
#   82 CYS  HB+         100 GLN  HE2-        5.50    (#   1697:15  Double Ambig)
 &rst
  ixpk= 1697, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1202,1203,
 igr2=1496,1497,
 &end
#
#   98 ASP  HB-         100 GLN  HE2+        5.50    (#   1699:15  Double Ambig)
 &rst
  ixpk= 1699, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1452,1453,
 igr2=1496,1497,
 &end
#
#   82 CYS  HA           82 CYS  HN          4.50    (#   1700:15  Double Ambig)
 &rst
  ixpk= 1700, nxpk= 15, iat=1200,1198, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   82 CYS  HA          100 GLN  HE2+        4.50    (#   1701:15  Unique         2.41, 4.24 A)
 &rst
  ixpk= 1701, nxpk= 15, iat=1200,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1496,1497,
 &end
#
#   82 CYS  HA          100 GLN  HE2-        4.50    (#   1702:15  Unique         2.41, 4.24 A)
 &rst
  ixpk= 1702, nxpk= 15, iat=1200,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1496,1497,
 &end
#
#   79 LEU  HA           81 GLY  HN          5.50    (#   1703:15  Double Ambig)
 &rst
  ixpk= 1703, nxpk= 15, iat=1163,1191, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   47 ILE  HG1-         58 SER  HN          5.50    (#   1704:15  Unique         2.95, 3.93 A)
 &rst
  ixpk= 1704, nxpk= 15, iat=  -1, 864, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 708, 709,
 &end
#
#   47 ILE  HB           58 SER  HN          5.50    (#   1705:15  Unique         2.95, 3.93 A)
 &rst
  ixpk= 1705, nxpk= 15, iat= 702, 864, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   57 ILE  QG2          60 GLN  HE2+        5.50    (#    951:15  Unique         2.95, 3.93 A)
 &rst
  ixpk= 951, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 851, 852, 853,
 igr2= 894, 895,
 &end
REMARK                                                              
ATOM      1  N   MET     1       1.329   0.000   0.000
ATOM      2  HN  MET     1       0.845  -0.886   0.100
ATOM      3  H2  MET     1       1.958   0.132   0.784
ATOM      4  H3  MET     1       0.652   0.754  -0.020
ATOM      5  CA  MET     1       2.093  -0.001  -1.242
ATOM      6  HA  MET     1       1.417  -0.156  -2.057
ATOM      7  CB  MET     1       2.790   1.347  -1.438
ATOM      8 2HB  MET     1       3.808   1.253  -1.112
ATOM      9 3HB  MET     1       2.770   1.590  -2.483
ATOM     10  CG  MET     1       2.141   2.485  -0.667
ATOM     11 2HG  MET     1       2.081   2.208   0.368
ATOM     12 3HG  MET     1       2.753   3.361  -0.768
ATOM     13  SD  MET     1       0.482   2.868  -1.260
ATOM     14  CE  MET     1       0.626   4.628  -1.556
ATOM     15 1HE  MET     1       0.886   5.138  -0.616
ATOM     16 2HE  MET     1       1.414   4.811  -2.303
ATOM     17 3HE  MET     1      -0.333   5.017  -1.931
ATOM     18  C   MET     1       3.123  -1.125  -1.246
ATOM     19  O   MET     1       3.089  -2.016  -0.397
ATOM     20  N   LYS     2       4.040  -1.078  -2.207
ATOM     21  HN  LYS     2       4.015  -0.321  -2.875
ATOM     22  CA  LYS     2       5.082  -2.092  -2.321
ATOM     23  HA  LYS     2       4.618  -3.037  -2.511
ATOM     24  CB  LYS     2       6.016  -1.764  -3.488
ATOM     25 2HB  LYS     2       6.883  -2.392  -3.416
ATOM     26 3HB  LYS     2       5.499  -1.972  -4.405
ATOM     27  CG  LYS     2       6.473  -0.315  -3.512
ATOM     28 2HG  LYS     2       6.270   0.130  -2.557
ATOM     29 3HG  LYS     2       7.528  -0.286  -3.703
ATOM     30  CD  LYS     2       5.754   0.479  -4.589
ATOM     31 2HD  LYS     2       6.445   0.700  -5.379
ATOM     32 3HD  LYS     2       4.946  -0.111  -4.976
ATOM     33  CE  LYS     2       5.196   1.783  -4.041
ATOM     34 2HE  LYS     2       4.859   1.621  -3.035
ATOM     35 3HE  LYS     2       5.975   2.521  -4.042
ATOM     36  NZ  LYS     2       4.055   2.285  -4.857
ATOM     37 1HZ  LYS     2       4.366   2.447  -5.809
ATOM     38 2HZ  LYS     2       3.311   1.596  -4.857
ATOM     39 3HZ  LYS     2       3.712   3.153  -4.461
ATOM     40  C   LYS     2       5.884  -2.196  -1.028
ATOM     41  O   LYS     2       6.138  -1.194  -0.360
ATOM     42  N   LYS     3       6.283  -3.415  -0.681
ATOM     43  HN  LYS     3       6.042  -4.198  -1.272
ATOM     44  CA  LYS     3       7.059  -3.651   0.530
ATOM     45  HA  LYS     3       6.950  -2.804   1.175
ATOM     46  CB  LYS     3       6.538  -4.891   1.261
ATOM     47 2HB  LYS     3       6.948  -5.762   0.786
ATOM     48 3HB  LYS     3       6.872  -4.849   2.280
ATOM     49  CG  LYS     3       5.024  -5.009   1.256
ATOM     50 2HG  LYS     3       4.603  -4.112   1.669
ATOM     51 3HG  LYS     3       4.687  -5.129   0.244
ATOM     52  CD  LYS     3       4.555  -6.198   2.077
ATOM     53 2HD  LYS     3       3.486  -6.266   2.013
ATOM     54 3HD  LYS     3       4.995  -7.092   1.679
ATOM     55  CE  LYS     3       4.954  -6.060   3.538
ATOM     56 2HE  LYS     3       5.816  -6.672   3.721
ATOM     57 3HE  LYS     3       5.195  -5.033   3.736
ATOM     58  NZ  LYS     3       3.860  -6.483   4.455
ATOM     59 1HZ  LYS     3       3.042  -5.906   4.294
ATOM     60 2HZ  LYS     3       3.629  -7.455   4.280
ATOM     61 3HZ  LYS     3       4.165  -6.376   5.416
ATOM     62  C   LYS     3       8.539  -3.825   0.203
ATOM     63  O   LYS     3       8.914  -4.701  -0.575
ATOM     64  N   VAL     4       9.375  -2.985   0.804
ATOM     65  HN  VAL     4       9.004  -2.286   1.432
ATOM     66  CA  VAL     4      10.815  -3.047   0.579
ATOM     67  HA  VAL     4      10.991  -3.567  -0.339
ATOM     68  CB  VAL     4      11.427  -1.638   0.464
ATOM     69  HB  VAL     4      11.515  -1.229   1.449
ATOM     70  CG1 VAL     4      12.817  -1.708  -0.149
ATOM     71 1HG1 VAL     4      13.467  -2.329   0.486
ATOM     72 2HG1 VAL     4      12.753  -2.153  -1.154
ATOM     73 3HG1 VAL     4      13.237  -0.693  -0.223
ATOM     74  CG2 VAL     4      10.520  -0.729  -0.351
ATOM     75 1HG2 VAL     4      10.393  -1.148  -1.361
ATOM     76 2HG2 VAL     4       9.538  -0.654   0.141
ATOM     77 3HG2 VAL     4      10.972   0.272  -0.423
ATOM     78  C   VAL     4      11.514  -3.804   1.702
ATOM     79  O   VAL     4      11.105  -3.734   2.860
ATOM     80  N   MET     5      12.573  -4.526   1.351
ATOM     81  HN  MET     5      12.859  -4.543   0.383
ATOM     82  CA  MET     5      13.332  -5.295   2.331
ATOM     83  HA  MET     5      12.891  -5.148   3.295
ATOM     84  CB  MET     5      13.278  -6.786   1.993
ATOM     85 2HB  MET     5      12.338  -6.993   1.520
ATOM     86 3HB  MET     5      14.077  -7.009   1.313
ATOM     87  CG  MET     5      13.414  -7.690   3.208
ATOM     88 2HG  MET     5      14.408  -8.093   3.227
ATOM     89 3HG  MET     5      13.249  -7.105   4.092
ATOM     90  SD  MET     5      12.237  -9.056   3.192
ATOM     91  CE  MET     5      11.984  -9.305   4.947
ATOM     92 1HE  MET     5      12.944  -9.556   5.424
ATOM     93 2HE  MET     5      11.582  -8.383   5.394
ATOM     94 3HE  MET     5      11.270 -10.129   5.102
ATOM     95  C   MET     5      14.782  -4.826   2.385
ATOM     96  O   MET     5      15.263  -4.155   1.472
ATOM     97  N   PHE     6      15.475  -5.183   3.461
ATOM     98  HN  PHE     6      15.024  -5.735   4.176
ATOM     99  CA  PHE     6      16.871  -4.797   3.635
ATOM    100  HA  PHE     6      17.319  -4.694   2.669
ATOM    101  CB  PHE     6      16.964  -3.454   4.361
ATOM    102 2HB  PHE     6      16.355  -3.502   5.243
ATOM    103 3HB  PHE     6      17.987  -3.289   4.641
ATOM    104  CG  PHE     6      16.505  -2.290   3.529
ATOM    105  CD1 PHE     6      15.169  -1.927   3.500
ATOM    106  HD1 PHE     6      14.448  -2.489   4.083
ATOM    107  CE1 PHE     6      14.744  -0.856   2.736
ATOM    108  HE1 PHE     6      13.696  -0.581   2.723
ATOM    109  CZ  PHE     6      15.656  -0.137   1.989
ATOM    110  HZ  PHE     6      15.324   0.701   1.387
ATOM    111  CE2 PHE     6      16.992  -0.488   2.011
ATOM    112  HE2 PHE     6      17.711   0.077   1.429
ATOM    113  CD2 PHE     6      17.411  -1.560   2.776
ATOM    114  HD2 PHE     6      18.460  -1.833   2.787
ATOM    115  C   PHE     6      17.637  -5.863   4.414
ATOM    116  O   PHE     6      17.480  -5.994   5.628
ATOM    117  N   VAL     7      18.466  -6.623   3.705
ATOM    118  HN  VAL     7      18.550  -6.466   2.711
ATOM    119  CA  VAL     7      19.257  -7.678   4.329
ATOM    120  HA  VAL     7      18.702  -8.074   5.154
ATOM    121  CB  VAL     7      19.543  -8.824   3.340
ATOM    122  HB  VAL     7      20.434  -8.585   2.797
ATOM    123  CG1 VAL     7      19.775 -10.128   4.087
ATOM    124 1HG1 VAL     7      20.637 -10.016   4.763
ATOM    125 2HG1 VAL     7      18.878 -10.379   4.675
ATOM    126 3HG1 VAL     7      19.977 -10.934   3.365
ATOM    127  CG2 VAL     7      18.401  -8.966   2.345
ATOM    128 1HG2 VAL     7      17.468  -9.185   2.886
ATOM    129 2HG2 VAL     7      18.287  -8.027   1.781
ATOM    130 3HG2 VAL     7      18.622  -9.788   1.647
ATOM    131  C   VAL     7      20.580  -7.133   4.855
ATOM    132  O   VAL     7      21.336  -6.494   4.122
ATOM    133  N   CYS     8      20.854  -7.390   6.129
ATOM    134  HN  CYS     8      20.192  -7.920   6.678
ATOM    135  CA  CYS     8      22.087  -6.926   6.755
ATOM    136  HA  CYS     8      22.556  -6.221   6.101
ATOM    137  CB  CYS     8      21.779  -6.229   8.081
ATOM    138 2HB  CYS     8      21.910  -6.940   8.874
ATOM    139 3HB  CYS     8      22.474  -5.422   8.207
ATOM    140  SG  CYS     8      20.104  -5.558   8.191
ATOM    141  HG  CYS     8      19.937  -4.976   9.375
ATOM    142  C   CYS     8      23.050  -8.086   6.988
ATOM    143  O   CYS     8      22.830  -9.196   6.503
ATOM    144  N   LYS     9      24.118  -7.821   7.731
ATOM    145  HN  LYS     9      24.242  -6.889   8.099
ATOM    146  CA  LYS     9      25.116  -8.842   8.029
ATOM    147  HA  LYS     9      24.619  -9.691   8.450
ATOM    148  CB  LYS     9      25.827  -9.279   6.746
ATOM    149 2HB  LYS     9      25.097  -9.694   6.078
ATOM    150 3HB  LYS     9      26.274  -8.414   6.294
ATOM    151  CG  LYS     9      26.912 -10.316   6.976
ATOM    152 2HG  LYS     9      26.687 -10.863   7.871
ATOM    153 3HG  LYS     9      26.933 -10.990   6.141
ATOM    154  CD  LYS     9      28.279  -9.670   7.123
ATOM    155 2HD  LYS     9      28.227  -8.660   6.766
ATOM    156 3HD  LYS     9      28.554  -9.669   8.160
ATOM    157  CE  LYS     9      29.339 -10.421   6.331
ATOM    158 2HE  LYS     9      28.923 -11.348   5.987
ATOM    159 3HE  LYS     9      29.630  -9.824   5.488
ATOM    160  NZ  LYS     9      30.545 -10.711   7.154
ATOM    161 1HZ  LYS     9      30.949  -9.840   7.479
ATOM    162 2HZ  LYS     9      30.282 -11.280   7.951
ATOM    163 3HZ  LYS     9      31.225 -11.211   6.592
ATOM    164  C   LYS     9      26.137  -8.327   9.039
ATOM    165  O   LYS     9      26.280  -8.881  10.128
ATOM    166  N   ARG    10      26.842  -7.263   8.670
ATOM    167  HN  ARG    10      26.676  -6.853   7.762
ATOM    168  CA  ARG    10      27.849  -6.673   9.544
ATOM    169  HA  ARG    10      28.420  -7.462   9.987
ATOM    170  CB  ARG    10      28.795  -5.780   8.738
ATOM    171 2HB  ARG    10      29.177  -6.349   7.912
ATOM    172 3HB  ARG    10      28.237  -4.942   8.367
ATOM    173  CG  ARG    10      29.971  -5.255   9.544
ATOM    174 2HG  ARG    10      29.599  -4.752  10.416
ATOM    175 3HG  ARG    10      30.585  -6.082   9.843
ATOM    176  CD  ARG    10      30.813  -4.282   8.733
ATOM    177 2HD  ARG    10      30.274  -3.360   8.629
ATOM    178 3HD  ARG    10      31.733  -4.101   9.255
ATOM    179  NE  ARG    10      31.120  -4.802   7.403
ATOM    180  HE  ARG    10      30.669  -4.374   6.607
ATOM    181  CZ  ARG    10      31.960  -5.807   7.183
ATOM    182  NH1 ARG    10      32.572  -6.398   8.199
ATOM    183 1HH1 ARG    10      32.401  -6.084   9.144
ATOM    184 2HH1 ARG    10      33.210  -7.162   8.029
ATOM    185  NH2 ARG    10      32.188  -6.224   5.944
ATOM    186 1HH2 ARG    10      31.723  -5.777   5.167
ATOM    187 2HH2 ARG    10      32.826  -6.989   5.778
ATOM    188  C   ARG    10      27.195  -5.863  10.659
ATOM    189  O   ARG    10      27.329  -4.642  10.713
ATOM    190  N   ASN    11      26.485  -6.553  11.546
ATOM    191  HN  ASN    11      26.413  -7.555  11.447
ATOM    192  CA  ASN    11      25.808  -5.898  12.659
ATOM    193  HA  ASN    11      25.282  -6.640  13.222
ATOM    194  CB  ASN    11      26.829  -5.223  13.577
ATOM    195 2HB  ASN    11      27.757  -5.126  13.048
ATOM    196 3HB  ASN    11      26.464  -4.249  13.841
ATOM    197  CG  ASN    11      27.074  -6.012  14.849
ATOM    198  OD1 ASN    11      26.238  -6.812  15.267
ATOM    199  ND2 ASN    11      28.226  -5.788  15.470
ATOM    200 1HD2 ASN    11      28.445  -6.284  16.322
ATOM    201 2HD2 ASN    11      28.883  -5.122  15.090
ATOM    202  C   ASN    11      24.802  -4.869  12.154
ATOM    203  O   ASN    11      24.376  -3.985  12.898
ATOM    204  N   SER    12      24.425  -4.990  10.885
ATOM    205  HN  SER    12      24.809  -5.739  10.327
ATOM    206  CA  SER    12      23.471  -4.069  10.279
ATOM    207  HA  SER    12      23.539  -4.159   9.215
ATOM    208  CB  SER    12      22.046  -4.423  10.708
ATOM    209 2HB  SER    12      21.351  -3.941  10.047
ATOM    210 3HB  SER    12      21.916  -5.486  10.649
ATOM    211  OG  SER    12      21.792  -3.999  12.036
ATOM    212  HG  SER    12      20.893  -4.233  12.280
ATOM    213  C   SER    12      23.788  -2.627  10.666
ATOM    214  O   SER    12      22.884  -1.816  10.871
ATOM    215  N   CYS    13      25.075  -2.317  10.765
ATOM    216  HN  CYS    13      25.768  -3.029  10.584
ATOM    217  CA  CYS    13      25.513  -0.974  11.128
ATOM    218  HA  CYS    13      24.942  -0.647  11.972
ATOM    219  CB  CYS    13      26.992  -0.984  11.517
ATOM    220 2HB  CYS    13      27.528  -1.563  10.790
ATOM    221 3HB  CYS    13      27.351   0.027  11.504
ATOM    222  SG  CYS    13      27.320  -1.682  13.152
ATOM    223  HG  CYS    13      28.627  -1.646  13.395
ATOM    224  C   CYS    13      25.283   0.002   9.979
ATOM    225  O   CYS    13      25.449   1.212  10.136
ATOM    226  N   ARG    14      24.903  -0.532   8.823
ATOM    227  HN  ARG    14      24.784  -1.533   8.758
ATOM    228  CA  ARG    14      24.653   0.291   7.646
ATOM    229  HA  ARG    14      24.607   1.316   7.951
ATOM    230  CB  ARG    14      25.792   0.134   6.637
ATOM    231 2HB  ARG    14      25.592   0.771   5.797
ATOM    232 3HB  ARG    14      26.707   0.439   7.108
ATOM    233  CG  ARG    14      25.964  -1.289   6.130
ATOM    234 2HG  ARG    14      25.673  -1.973   6.904
ATOM    235 3HG  ARG    14      25.335  -1.432   5.272
ATOM    236  CD  ARG    14      27.407  -1.570   5.738
ATOM    237 2HD  ARG    14      27.976  -0.666   5.838
ATOM    238 3HD  ARG    14      27.806  -2.318   6.396
ATOM    239  NE  ARG    14      27.517  -2.046   4.362
ATOM    240  HE  ARG    14      27.768  -1.380   3.645
ATOM    241  CZ  ARG    14      27.305  -3.307   4.002
ATOM    242  NH1 ARG    14      26.974  -4.213   4.911
ATOM    243 1HH1 ARG    14      26.882  -3.945   5.881
ATOM    244 2HH1 ARG    14      26.814  -5.171   4.634
ATOM    245  NH2 ARG    14      27.425  -3.664   2.729
ATOM    246 1HH2 ARG    14      27.677  -2.977   2.033
ATOM    247 2HH2 ARG    14      27.264  -4.623   2.456
ATOM    248  C   ARG    14      23.325  -0.081   6.993
ATOM    249  O   ARG    14      22.537   0.790   6.626
ATOM    250  N   SER    15      23.085  -1.381   6.852
ATOM    251  HN  SER    15      23.771  -2.047   7.177
ATOM    252  CA  SER    15      21.855  -1.869   6.239
ATOM    253  HA  SER    15      21.801  -1.494   5.238
ATOM    254  CB  SER    15      21.859  -3.398   6.187
ATOM    255 2HB  SER    15      22.641  -3.724   5.529
ATOM    256 3HB  SER    15      22.037  -3.782   7.173
ATOM    257  OG  SER    15      20.619  -3.895   5.714
ATOM    258  HG  SER    15      20.647  -4.854   5.691
ATOM    259  C   SER    15      20.633  -1.378   7.009
ATOM    260  O   SER    15      19.716  -0.796   6.431
ATOM    261  N   GLN    16      20.630  -1.618   8.316
ATOM    262  HN  GLN    16      21.415  -2.100   8.731
ATOM    263  CA  GLN    16      19.520  -1.201   9.166
ATOM    264  HA  GLN    16      18.660  -1.785   8.913
ATOM    265  CB  GLN    16      19.858  -1.444  10.638
ATOM    266 2HB  GLN    16      18.953  -1.692  11.158
ATOM    267 3HB  GLN    16      20.542  -2.269  10.697
ATOM    268  CG  GLN    16      20.492  -0.244  11.323
ATOM    269 2HG  GLN    16      21.431  -0.034  10.849
ATOM    270 3HG  GLN    16      19.839   0.600  11.211
ATOM    271  CD  GLN    16      20.736  -0.477  12.801
ATOM    272  OE1 GLN    16      19.806  -0.447  13.607
ATOM    273  NE2 GLN    16      21.992  -0.711  13.164
ATOM    274 1HE2 GLN    16      22.215  -0.873  14.136
ATOM    275 2HE2 GLN    16      22.724  -0.727  12.468
ATOM    276  C   GLN    16      19.189   0.271   8.944
ATOM    277  O   GLN    16      18.021   0.660   8.935
ATOM    278  N   MET    17      20.224   1.086   8.767
ATOM    279  HN  MET    17      21.160   0.706   8.787
ATOM    280  CA  MET    17      20.041   2.516   8.544
ATOM    281  HA  MET    17      19.568   2.937   9.406
ATOM    282  CB  MET    17      21.395   3.200   8.350
ATOM    283 2HB  MET    17      22.017   2.968   9.193
ATOM    284 3HB  MET    17      21.846   2.813   7.456
ATOM    285  CG  MET    17      21.300   4.712   8.225
ATOM    286 2HG  MET    17      22.249   5.090   7.896
ATOM    287 3HG  MET    17      20.548   4.950   7.497
ATOM    288  SD  MET    17      20.869   5.512   9.783
ATOM    289  CE  MET    17      19.081   5.513   9.680
ATOM    290 1HE  MET    17      18.765   6.081   8.791
ATOM    291 2HE  MET    17      18.717   4.477   9.602
ATOM    292 3HE  MET    17      18.662   5.982  10.584
ATOM    293  C   MET    17      19.152   2.768   7.331
ATOM    294  O   MET    17      18.301   3.657   7.347
ATOM    295  N   ALA    18      19.356   1.981   6.280
ATOM    296  HN  ALA    18      20.072   1.270   6.328
ATOM    297  CA  ALA    18      18.572   2.118   5.059
ATOM    298  HA  ALA    18      18.835   3.045   4.593
ATOM    299  CB  ALA    18      18.897   0.989   4.093
ATOM    300 1HB  ALA    18      19.968   1.021   3.838
ATOM    301 2HB  ALA    18      18.661   0.023   4.565
ATOM    302 3HB  ALA    18      18.298   1.106   3.177
ATOM    303  C   ALA    18      17.078   2.142   5.365
ATOM    304  O   ALA    18      16.320   2.887   4.746
ATOM    305  N   GLU    19      16.663   1.320   6.324
ATOM    306  HN  GLU    19      17.336   0.732   6.795
ATOM    307  CA  GLU    19      15.259   1.247   6.711
ATOM    308  HA  GLU    19      14.666   1.158   5.825
ATOM    309  CB  GLU    19      15.011   0.017   7.587
ATOM    310 2HB  GLU    19      14.862  -0.831   6.946
ATOM    311 3HB  GLU    19      15.878  -0.145   8.198
ATOM    312  CG  GLU    19      13.802   0.150   8.496
ATOM    313 2HG  GLU    19      13.975   0.956   9.182
ATOM    314 3HG  GLU    19      12.942   0.372   7.894
ATOM    315  CD  GLU    19      13.526  -1.112   9.290
ATOM    316  OE1 GLU    19      12.616  -1.872   8.898
ATOM    317  OE2 GLU    19      14.220  -1.340  10.303
ATOM    318  C   GLU    19      14.833   2.509   7.455
ATOM    319  O   GLU    19      13.745   3.039   7.230
ATOM    320  N   GLY    20      15.698   2.985   8.346
ATOM    321  HN  GLY    20      16.577   2.509   8.492
ATOM    322  CA  GLY    20      15.394   4.180   9.111
ATOM    323 2HA  GLY    20      14.505   4.004   9.686
ATOM    324 3HA  GLY    20      16.214   4.383   9.773
ATOM    325  C   GLY    20      15.170   5.392   8.228
ATOM    326  O   GLY    20      14.342   6.249   8.537
ATOM    327  N   PHE    21      15.911   5.465   7.127
ATOM    328  HN  PHE    21      16.573   4.728   6.929
ATOM    329  CA  PHE    21      15.791   6.583   6.199
ATOM    330  HA  PHE    21      15.512   7.456   6.751
ATOM    331  CB  PHE    21      17.133   6.849   5.512
ATOM    332 2HB  PHE    21      17.513   5.918   5.137
ATOM    333 3HB  PHE    21      16.968   7.523   4.694
ATOM    334  CG  PHE    21      18.164   7.451   6.423
ATOM    335  CD1 PHE    21      17.810   8.423   7.345
ATOM    336  HD1 PHE    21      16.779   8.751   7.408
ATOM    337  CE1 PHE    21      18.756   8.979   8.185
ATOM    338  HE1 PHE    21      18.466   9.738   8.902
ATOM    339  CZ  PHE    21      20.072   8.566   8.110
ATOM    340  HZ  PHE    21      20.816   9.001   8.767
ATOM    341  CE2 PHE    21      20.437   7.597   7.196
ATOM    342  HE2 PHE    21      21.469   7.270   7.136
ATOM    343  CD2 PHE    21      19.487   7.045   6.358
ATOM    344  HD2 PHE    21      19.780   6.286   5.642
ATOM    345  C   PHE    21      14.717   6.307   5.151
ATOM    346  O   PHE    21      13.922   7.185   4.815
ATOM    347  N   ALA    22      14.700   5.081   4.638
ATOM    348  HN  ALA    22      15.381   4.405   4.954
ATOM    349  CA  ALA    22      13.723   4.688   3.630
ATOM    350  HA  ALA    22      13.791   5.373   2.811
ATOM    351  CB  ALA    22      14.032   3.291   3.113
ATOM    352 1HB  ALA    22      15.037   3.280   2.663
ATOM    353 2HB  ALA    22      13.996   2.574   3.948
ATOM    354 3HB  ALA    22      13.287   3.008   2.353
ATOM    355  C   ALA    22      12.305   4.746   4.188
ATOM    356  O   ALA    22      11.361   5.091   3.477
ATOM    357  N   LYS    23      12.162   4.407   5.464
ATOM    358  HN  LYS    23      12.976   4.132   5.994
ATOM    359  CA  LYS    23      10.859   4.421   6.119
ATOM    360  HA  LYS    23      10.145   3.963   5.467
ATOM    361  CB  LYS    23      10.911   3.622   7.423
ATOM    362 2HB  LYS    23       9.907   3.370   7.707
ATOM    363 3HB  LYS    23      11.470   2.723   7.248
ATOM    364  CG  LYS    23      11.560   4.375   8.572
ATOM    365 2HG  LYS    23      12.213   3.708   9.101
ATOM    366 3HG  LYS    23      12.129   5.193   8.175
ATOM    367  CD  LYS    23      10.522   4.919   9.539
ATOM    368 2HD  LYS    23      10.315   5.942   9.290
ATOM    369 3HD  LYS    23       9.623   4.340   9.448
ATOM    370  CE  LYS    23      11.011   4.850  10.977
ATOM    371 2HE  LYS    23      12.084   4.837  10.978
ATOM    372 3HE  LYS    23      10.663   5.718  11.504
ATOM    373  NZ  LYS    23      10.514   3.632  11.675
ATOM    374 1HZ  LYS    23       9.500   3.638  11.684
ATOM    375 2HZ  LYS    23      10.843   2.806  11.188
ATOM    376 3HZ  LYS    23      10.861   3.623  12.628
ATOM    377  C   LYS    23      10.409   5.850   6.404
ATOM    378  O   LYS    23       9.224   6.108   6.623
ATOM    379  N   THR    24      11.361   6.778   6.398
ATOM    380  HN  THR    24      12.315   6.504   6.211
ATOM    381  CA  THR    24      11.062   8.181   6.655
ATOM    382  HA  THR    24      10.181   8.233   7.260
ATOM    383  CB  THR    24      12.213   8.871   7.412
ATOM    384  HB  THR    24      13.090   8.263   7.334
ATOM    385  CG2 THR    24      12.511  10.238   6.815
ATOM    386 1HG2 THR    24      12.801  10.122   5.759
ATOM    387 2HG2 THR    24      11.613  10.871   6.882
ATOM    388 3HG2 THR    24      13.335  10.710   7.372
ATOM    389  OG1 THR    24      11.873   9.014   8.796
ATOM    390 1HG  THR    24      12.595   9.444   9.260
ATOM    391  C   THR    24      10.800   8.935   5.356
ATOM    392  O   THR    24       9.862   9.728   5.266
ATOM    393  N   LEU    25      11.632   8.682   4.353
ATOM    394  HN  LEU    25      12.382   8.020   4.490
ATOM    395  CA  LEU    25      11.490   9.337   3.057
ATOM    396  HA  LEU    25      11.186  10.350   3.219
ATOM    397  CB  LEU    25      12.828   9.343   2.317
ATOM    398 2HB  LEU    25      12.996   8.354   1.935
ATOM    399 3HB  LEU    25      12.748  10.033   1.499
ATOM    400  CG  LEU    25      14.051   9.739   3.145
ATOM    401  HG  LEU    25      13.915   9.376   4.142
ATOM    402  CD1 LEU    25      15.311   9.107   2.572
ATOM    403 1HD1 LEU    25      15.210   8.011   2.585
ATOM    404 2HD1 LEU    25      15.455   9.450   1.536
ATOM    405 3HD1 LEU    25      16.179   9.403   3.180
ATOM    406  CD2 LEU    25      14.191  11.253   3.201
ATOM    407 1HD2 LEU    25      14.308  11.649   2.180
ATOM    408 2HD2 LEU    25      13.291  11.688   3.663
ATOM    409 3HD2 LEU    25      15.076  11.518   3.801
ATOM    410  C   LEU    25      10.430   8.641   2.209
ATOM    411  O   LEU    25       9.658   9.291   1.506
ATOM    412  N   GLY    26      10.398   7.314   2.282
ATOM    413  HN  GLY    26      11.057   6.831   2.876
ATOM    414  CA  GLY    26       9.428   6.551   1.518
ATOM    415 2HA  GLY    26       9.161   7.111   0.643
ATOM    416 3HA  GLY    26       9.875   5.621   1.225
ATOM    417  C   GLY    26       8.169   6.257   2.310
ATOM    418  O   GLY    26       7.317   5.486   1.869
ATOM    419  N   ALA    27       8.052   6.871   3.482
ATOM    420  HN  ALA    27       8.787   7.492   3.788
ATOM    421  CA  ALA    27       6.888   6.670   4.337
ATOM    422  HA  ALA    27       6.871   5.646   4.647
ATOM    423  CB  ALA    27       6.987   7.545   5.578
ATOM    424 1HB  ALA    27       7.896   7.282   6.141
ATOM    425 2HB  ALA    27       7.034   8.603   5.278
ATOM    426 3HB  ALA    27       6.102   7.383   6.213
ATOM    427  C   ALA    27       5.596   6.965   3.582
ATOM    428  O   ALA    27       5.527   7.906   2.793
ATOM    429  N   GLY    28       4.573   6.151   3.829
ATOM    430  HN  GLY    28       4.686   5.393   4.486
ATOM    431  CA  GLY    28       3.297   6.341   3.164
ATOM    432 2HA  GLY    28       2.586   5.653   3.580
ATOM    433 3HA  GLY    28       2.965   7.347   3.337
ATOM    434  C   GLY    28       3.383   6.107   1.668
ATOM    435  O   GLY    28       2.448   6.416   0.929
ATOM    436  N   LYS    29       4.508   5.562   1.220
ATOM    437  HN  LYS    29       5.239   5.332   1.877
ATOM    438  CA  LYS    29       4.714   5.287  -0.197
ATOM    439  HA  LYS    29       3.778   5.392  -0.704
ATOM    440  CB  LYS    29       5.706   6.288  -0.794
ATOM    441 2HB  LYS    29       6.665   6.127  -0.341
ATOM    442 3HB  LYS    29       5.775   6.109  -1.850
ATOM    443  CG  LYS    29       5.310   7.739  -0.577
ATOM    444 2HG  LYS    29       4.958   7.857   0.430
ATOM    445 3HG  LYS    29       6.170   8.362  -0.731
ATOM    446  CD  LYS    29       4.213   8.167  -1.537
ATOM    447 2HD  LYS    29       4.631   8.274  -2.519
ATOM    448 3HD  LYS    29       3.450   7.413  -1.553
ATOM    449  CE  LYS    29       3.591   9.490  -1.118
ATOM    450 2HE  LYS    29       2.549   9.480  -1.374
ATOM    451 3HE  LYS    29       3.697   9.603  -0.056
ATOM    452  NZ  LYS    29       4.242  10.647  -1.793
ATOM    453 1HZ  LYS    29       5.227  10.668  -1.552
ATOM    454 2HZ  LYS    29       4.142  10.553  -2.798
ATOM    455 3HZ  LYS    29       3.801  11.508  -1.489
ATOM    456  C   LYS    29       5.223   3.864  -0.408
ATOM    457  O   LYS    29       4.926   3.233  -1.422
ATOM    458  N   ILE    30       5.989   3.367   0.557
ATOM    459  HN  ILE    30       6.197   3.937   1.364
ATOM    460  CA  ILE    30       6.536   2.018   0.478
ATOM    461  HA  ILE    30       5.843   1.403  -0.057
ATOM    462  CB  ILE    30       7.881   2.000  -0.272
ATOM    463  HB  ILE    30       8.359   1.060  -0.089
ATOM    464  CG2 ILE    30       7.655   2.142  -1.770
ATOM    465 1HG2 ILE    30       7.034   1.307  -2.128
ATOM    466 2HG2 ILE    30       7.143   3.095  -1.975
ATOM    467 3HG2 ILE    30       8.625   2.127  -2.291
ATOM    468  CG1 ILE    30       8.793   3.116   0.243
ATOM    469 2HG1 ILE    30       8.877   3.865  -0.520
ATOM    470 3HG1 ILE    30       8.344   3.545   1.118
ATOM    471  CD1 ILE    30      10.184   2.642   0.603
ATOM    472 1HD1 ILE    30      10.118   1.879   1.394
ATOM    473 2HD1 ILE    30      10.665   2.208  -0.287
ATOM    474 3HD1 ILE    30      10.780   3.494   0.964
ATOM    475  C   ILE    30       6.734   1.423   1.868
ATOM    476  O   ILE    30       7.150   2.114   2.797
ATOM    477  N   ALA    31       6.435   0.135   2.002
ATOM    478  HN  ALA    31       6.096  -0.378   1.201
ATOM    479  CA  ALA    31       6.584  -0.556   3.277
ATOM    480  HA  ALA    31       6.380   0.141   4.063
ATOM    481  CB  ALA    31       5.583  -1.698   3.379
ATOM    482 1HB  ALA    31       4.560  -1.297   3.305
ATOM    483 2HB  ALA    31       5.757  -2.413   2.560
ATOM    484 3HB  ALA    31       5.707  -2.210   4.346
ATOM    485  C   ALA    31       8.005  -1.077   3.457
ATOM    486  O   ALA    31       8.332  -2.181   3.021
ATOM    487  N   VAL    32       8.848  -0.276   4.101
ATOM    488  HN  VAL    32       8.519   0.619   4.434
ATOM    489  CA  VAL    32      10.235  -0.657   4.338
ATOM    490  HA  VAL    32      10.612  -1.127   3.454
ATOM    491  CB  VAL    32      11.110   0.573   4.646
ATOM    492  HB  VAL    32      10.749   1.025   5.546
ATOM    493  CG1 VAL    32      12.556   0.157   4.867
ATOM    494 1HG1 VAL    32      12.611  -0.542   5.716
ATOM    495 2HG1 VAL    32      12.939  -0.336   3.960
ATOM    496 3HG1 VAL    32      13.165   1.048   5.085
ATOM    497  CG2 VAL    32      11.006   1.594   3.524
ATOM    498 1HG2 VAL    32      11.347   1.139   2.581
ATOM    499 2HG2 VAL    32       9.959   1.917   3.418
ATOM    500 3HG2 VAL    32      11.637   2.465   3.761
ATOM    501  C   VAL    32      10.343  -1.646   5.493
ATOM    502  O   VAL    32       9.587  -1.571   6.463
ATOM    503  N   THR    33      11.289  -2.574   5.384
ATOM    504  HN  THR    33      11.879  -2.583   4.564
ATOM    505  CA  THR    33      11.496  -3.579   6.419
ATOM    506  HA  THR    33      11.206  -3.160   7.360
ATOM    507  CB  THR    33      10.642  -4.835   6.162
ATOM    508  HB  THR    33      11.234  -5.550   5.630
ATOM    509  CG2 THR    33      10.185  -5.456   7.473
ATOM    510 1HG2 THR    33      11.065  -5.742   8.070
ATOM    511 2HG2 THR    33       9.582  -4.726   8.034
ATOM    512 3HG2 THR    33       9.578  -6.350   7.263
ATOM    513  OG1 THR    33       9.501  -4.497   5.365
ATOM    514 1HG  THR    33       8.975  -5.285   5.210
ATOM    515  C   THR    33      12.963  -3.985   6.505
ATOM    516  O   THR    33      13.646  -4.100   5.488
ATOM    517  N   SER    34      13.442  -4.201   7.726
ATOM    518  HN  SER    34      12.830  -4.092   8.522
ATOM    519  CA  SER    34      14.829  -4.591   7.945
ATOM    520  HA  SER    34      15.359  -4.498   7.020
ATOM    521  CB  SER    34      15.484  -3.670   8.977
ATOM    522 2HB  SER    34      16.529  -3.906   9.044
ATOM    523 3HB  SER    34      15.367  -2.651   8.662
ATOM    524  OG  SER    34      14.890  -3.831  10.254
ATOM    525  HG  SER    34      15.317  -3.244  10.882
ATOM    526  C   SER    34      14.919  -6.041   8.412
ATOM    527  O   SER    34      14.025  -6.540   9.097
ATOM    528  N   CYS    35      16.002  -6.711   8.037
ATOM    529  HN  CYS    35      16.700  -6.244   7.476
ATOM    530  CA  CYS    35      16.210  -8.104   8.415
ATOM    531  HA  CYS    35      15.881  -8.235   9.425
ATOM    532  CB  CYS    35      15.389  -9.027   7.513
ATOM    533 2HB  CYS    35      15.749 -10.030   7.640
ATOM    534 3HB  CYS    35      14.363  -8.974   7.821
ATOM    535  SG  CYS    35      15.477  -8.610   5.756
ATOM    536  HG  CYS    35      14.734  -9.466   5.060
ATOM    537  C   CYS    35      17.687  -8.475   8.335
ATOM    538  O   CYS    35      18.401  -8.029   7.438
ATOM    539  N   GLY    36      18.138  -9.294   9.280
ATOM    540  HN  GLY    36      17.506  -9.630   9.993
ATOM    541  CA  GLY    36      19.529  -9.711   9.298
ATOM    542 2HA  GLY    36      19.573 -10.753   9.549
ATOM    543 3HA  GLY    36      19.947  -9.560   8.321
ATOM    544  C   GLY    36      20.353  -8.933  10.305
ATOM    545  O   GLY    36      20.342  -7.701  10.308
ATOM    546  N   LEU    37      21.070  -9.651  11.161
ATOM    547  HN  LEU    37      21.038 -10.659  11.106
ATOM    548  CA  LEU    37      21.903  -9.021  12.179
ATOM    549  HA  LEU    37      22.358  -8.150  11.755
ATOM    550  CB  LEU    37      21.048  -8.592  13.373
ATOM    551 2HB  LEU    37      20.424  -9.421  13.644
ATOM    552 3HB  LEU    37      21.710  -8.362  14.185
ATOM    553  CG  LEU    37      20.144  -7.380  13.150
ATOM    554  HG  LEU    37      20.573  -6.777  12.377
ATOM    555  CD1 LEU    37      18.760  -7.822  12.701
ATOM    556 1HD1 LEU    37      18.842  -8.385  11.758
ATOM    557 2HD1 LEU    37      18.311  -8.465  13.474
ATOM    558 3HD1 LEU    37      18.124  -6.937  12.546
ATOM    559  CD2 LEU    37      20.053  -6.542  14.417
ATOM    560 1HD2 LEU    37      19.636  -7.153  15.232
ATOM    561 2HD2 LEU    37      21.058  -6.191  14.698
ATOM    562 3HD2 LEU    37      19.399  -5.675  14.237
ATOM    563  C   LEU    37      23.006  -9.967  12.643
ATOM    564  O   LEU    37      22.823 -11.184  12.669
ATOM    565  N   GLU    38      24.151  -9.399  13.009
ATOM    566  HN  GLU    38      24.239  -8.394  12.965
ATOM    567  CA  GLU    38      25.283 -10.193  13.473
ATOM    568  HA  GLU    38      25.477 -10.961  12.754
ATOM    569  CB  GLU    38      26.531  -9.317  13.599
ATOM    570 2HB  GLU    38      26.305  -8.345  13.204
ATOM    571 3HB  GLU    38      26.781  -9.231  14.639
ATOM    572  CG  GLU    38      27.738  -9.868  12.858
ATOM    573 2HG  GLU    38      27.871 -10.896  13.134
ATOM    574 3HG  GLU    38      27.553  -9.802  11.803
ATOM    575  CD  GLU    38      29.013  -9.111  13.176
ATOM    576  OE1 GLU    38      29.230  -8.037  12.576
ATOM    577  OE2 GLU    38      29.794  -9.592  14.024
ATOM    578  C   GLU    38      24.972 -10.851  14.815
ATOM    579  O   GLU    38      25.726 -11.699  15.291
ATOM    580  N   SER    39      23.857 -10.452  15.419
ATOM    581  HN  SER    39      23.279  -9.753  14.975
ATOM    582  CA  SER    39      23.449 -10.999  16.707
ATOM    583  HA  SER    39      23.798 -12.008  16.775
ATOM    584  CB  SER    39      24.070 -10.191  17.848
ATOM    585 2HB  SER    39      25.135 -10.162  17.718
ATOM    586 3HB  SER    39      23.679  -9.192  17.823
ATOM    587  OG  SER    39      23.773 -10.773  19.106
ATOM    588  HG  SER    39      24.173 -10.249  19.804
ATOM    589  C   SER    39      21.929 -11.000  16.839
ATOM    590  O   SER    39      21.390 -11.132  17.939
ATOM    591  N   SER    40      21.243 -10.853  15.710
ATOM    592  HN  SER    40      21.744 -10.753  14.839
ATOM    593  CA  SER    40      19.785 -10.833  15.699
ATOM    594  HA  SER    40      19.452 -10.867  14.683
ATOM    595  CB  SER    40      19.231 -12.055  16.434
ATOM    596 2HB  SER    40      19.187 -11.842  17.485
ATOM    597 3HB  SER    40      18.244 -12.265  16.070
ATOM    598  OG  SER    40      20.053 -13.191  16.226
ATOM    599  HG  SER    40      19.685 -13.943  16.696
ATOM    600  C   SER    40      19.254  -9.555  16.342
ATOM    601  O   SER    40      18.675  -8.703  15.668
ATOM    602  N   ARG    41      19.456  -9.430  17.649
ATOM    603  HN  ARG    41      19.939 -10.165  18.145
ATOM    604  CA  ARG    41      18.997  -8.258  18.385
ATOM    605  HA  ARG    41      17.929  -8.223  18.337
ATOM    606  CB  ARG    41      19.416  -8.354  19.853
ATOM    607 2HB  ARG    41      19.464  -9.391  20.125
ATOM    608 3HB  ARG    41      20.388  -7.912  19.958
ATOM    609  CG  ARG    41      18.463  -7.651  20.806
ATOM    610 2HG  ARG    41      19.021  -7.270  21.640
ATOM    611 3HG  ARG    41      17.991  -6.837  20.290
ATOM    612  CD  ARG    41      17.391  -8.599  21.320
ATOM    613 2HD  ARG    41      17.414  -9.498  20.735
ATOM    614 3HD  ARG    41      17.600  -8.835  22.346
ATOM    615  NE  ARG    41      16.056  -8.013  21.233
ATOM    616  HE  ARG    41      15.934  -7.185  20.668
ATOM    617  CZ  ARG    41      14.993  -8.510  21.857
ATOM    618  NH1 ARG    41      15.110  -9.595  22.609
ATOM    619 1HH1 ARG    41      16.008 -10.046  22.708
ATOM    620 2HH1 ARG    41      14.301  -9.971  23.083
ATOM    621  NH2 ARG    41      13.812  -7.920  21.729
ATOM    622 1HH2 ARG    41      13.720  -7.093  21.157
ATOM    623 2HH2 ARG    41      13.005  -8.298  22.204
ATOM    624  C   ARG    41      19.553  -6.978  17.768
ATOM    625  O   ARG    41      20.715  -6.923  17.367
ATOM    626  N   VAL    42      18.713  -5.949  17.695
ATOM    627  HN  VAL    42      17.770  -6.057  18.041
ATOM    628  CA  VAL    42      19.120  -4.669  17.128
ATOM    629  HA  VAL    42      19.332  -4.812  16.089
ATOM    630  CB  VAL    42      18.002  -3.618  17.257
ATOM    631  HB  VAL    42      17.114  -4.016  16.811
ATOM    632  CG1 VAL    42      17.710  -3.324  18.720
ATOM    633 1HG1 VAL    42      17.389  -4.249  19.223
ATOM    634 2HG1 VAL    42      18.620  -2.938  19.205
ATOM    635 3HG1 VAL    42      16.909  -2.572  18.790
ATOM    636  CG2 VAL    42      18.381  -2.345  16.514
ATOM    637 1HG2 VAL    42      19.310  -1.934  16.940
ATOM    638 2HG2 VAL    42      18.536  -2.574  15.448
ATOM    639 3HG2 VAL    42      17.572  -1.606  16.616
ATOM    640  C   VAL    42      20.379  -4.142  17.808
ATOM    641  O   VAL    42      20.637  -4.437  18.976
ATOM    642  N   HIS    43      21.160  -3.360  17.070
ATOM    643  HN  HIS    43      20.894  -3.155  16.117
ATOM    644  CA  HIS    43      22.393  -2.790  17.603
ATOM    645  HA  HIS    43      22.819  -3.486  18.295
ATOM    646  CB  HIS    43      23.397  -2.548  16.475
ATOM    647 2HB  HIS    43      23.246  -3.296  15.720
ATOM    648 3HB  HIS    43      23.212  -1.577  16.058
ATOM    649  CG  HIS    43      24.825  -2.607  16.922
ATOM    650  ND1 HIS    43      25.394  -3.733  17.477
ATOM    651  HD1 HIS    43      24.919  -4.610  17.635
ATOM    652  CE1 HIS    43      26.659  -3.486  17.770
ATOM    653  HE1 HIS    43      27.355  -4.186  18.218
ATOM    654  NE2 HIS    43      26.930  -2.240  17.424
ATOM    655  CD2 HIS    43      25.801  -1.669  16.892
ATOM    656  HD2 HIS    43      25.708  -0.656  16.518
ATOM    657  C   HIS    43      22.113  -1.483  18.339
ATOM    658  O   HIS    43      21.378  -0.618  17.862
ATOM    659  N   PRO    44      22.712  -1.334  19.530
ATOM    660  CD  PRO    44      23.602  -2.324  20.160
ATOM    661 2HD  PRO    44      24.361  -2.649  19.475
ATOM    662 3HD  PRO    44      23.046  -3.174  20.508
ATOM    663  CG  PRO    44      24.205  -1.568  21.311
ATOM    664 2HG  PRO    44      25.132  -1.115  21.015
ATOM    665 3HG  PRO    44      24.378  -2.227  22.140
ATOM    666  CB  PRO    44      23.211  -0.521  21.680
ATOM    667 2HB  PRO    44      23.700   0.328  22.118
ATOM    668 3HB  PRO    44      22.488  -0.912  22.370
ATOM    669  CA  PRO    44      22.543  -0.136  20.358
ATOM    670  HA  PRO    44      21.503   0.060  20.514
ATOM    671  C   PRO    44      23.223   1.087  19.753
ATOM    672  O   PRO    44      22.640   2.170  19.695
ATOM    673  N   THR    45      24.461   0.908  19.302
ATOM    674  HN  THR    45      24.885  -0.006  19.377
ATOM    675  CA  THR    45      25.221   1.997  18.702
ATOM    676  HA  THR    45      25.538   2.657  19.482
ATOM    677  CB  THR    45      26.471   1.474  17.970
ATOM    678  HB  THR    45      26.198   1.207  16.970
ATOM    679  CG2 THR    45      27.552   2.542  17.913
ATOM    680 1HG2 THR    45      27.169   3.423  17.375
ATOM    681 2HG2 THR    45      27.836   2.832  18.937
ATOM    682 3HG2 THR    45      28.433   2.144  17.386
ATOM    683  OG1 THR    45      26.977   0.311  18.635
ATOM    684 1HG  THR    45      27.755  -0.009  18.173
ATOM    685  C   THR    45      24.365   2.789  17.720
ATOM    686  O   THR    45      24.400   4.019  17.704
ATOM    687  N   ALA    46      23.597   2.076  16.903
ATOM    688  HN  ALA    46      23.615   1.068  16.965
ATOM    689  CA  ALA    46      22.730   2.713  15.920
ATOM    690  HA  ALA    46      23.339   3.302  15.266
ATOM    691  CB  ALA    46      22.013   1.660  15.088
ATOM    692 1HB  ALA    46      22.755   1.039  14.564
ATOM    693 2HB  ALA    46      21.402   1.024  15.748
ATOM    694 3HB  ALA    46      21.362   2.155  14.351
ATOM    695  C   ALA    46      21.719   3.635  16.594
ATOM    696  O   ALA    46      21.523   4.773  16.168
ATOM    697  N   ILE    47      21.081   3.136  17.648
ATOM    698  HN  ILE    47      21.287   2.194  17.949
ATOM    699  CA  ILE    47      20.091   3.915  18.380
ATOM    700  HA  ILE    47      19.234   4.046  17.753
ATOM    701  CB  ILE    47      19.647   3.194  19.667
ATOM    702  HB  ILE    47      20.497   2.701  20.090
ATOM    703  CG2 ILE    47      19.117   4.198  20.680
ATOM    704 1HG2 ILE    47      19.909   4.921  20.929
ATOM    705 2HG2 ILE    47      18.254   4.731  20.251
ATOM    706 3HG2 ILE    47      18.804   3.668  21.593
ATOM    707  CG1 ILE    47      18.584   2.141  19.346
ATOM    708 2HG1 ILE    47      18.082   1.876  20.257
ATOM    709 3HG1 ILE    47      17.878   2.569  18.661
ATOM    710  CD1 ILE    47      19.149   0.882  18.727
ATOM    711 1HD1 ILE    47      19.659   1.134  17.784
ATOM    712 2HD1 ILE    47      19.869   0.422  19.422
ATOM    713 3HD1 ILE    47      18.331   0.174  18.524
ATOM    714  C   ILE    47      20.636   5.292  18.745
ATOM    715  O   ILE    47      19.924   6.293  18.667
ATOM    716  N   ALA    48      21.904   5.335  19.141
ATOM    717  HN  ALA    48      22.436   4.477  19.185
ATOM    718  CA  ALA    48      22.546   6.589  19.513
ATOM    719  HA  ALA    48      21.882   7.129  20.154
ATOM    720  CB  ALA    48      23.833   6.317  20.278
ATOM    721 1HB  ALA    48      23.604   5.746  21.191
ATOM    722 2HB  ALA    48      24.521   5.735  19.645
ATOM    723 3HB  ALA    48      24.306   7.273  20.552
ATOM    724  C   ALA    48      22.830   7.447  18.285
ATOM    725  O   ALA    48      22.321   8.560  18.162
ATOM    726  N   MET    49      23.647   6.921  17.378
ATOM    727  HN  MET    49      24.034   6.002  17.538
ATOM    728  CA  MET    49      23.998   7.639  16.158
ATOM    729  HA  MET    49      24.630   8.462  16.418
ATOM    730  CB  MET    49      24.762   6.721  15.202
ATOM    731 2HB  MET    49      24.113   5.918  14.911
ATOM    732 3HB  MET    49      25.039   7.289  14.335
ATOM    733  CG  MET    49      26.022   6.125  15.809
ATOM    734 2HG  MET    49      25.830   5.891  16.838
ATOM    735 3HG  MET    49      26.267   5.226  15.278
ATOM    736  SD  MET    49      27.431   7.247  15.725
ATOM    737  CE  MET    49      27.309   8.063  17.315
ATOM    738 1HE  MET    49      26.339   8.579  17.389
ATOM    739 2HE  MET    49      27.389   7.315  18.119
ATOM    740 3HE  MET    49      28.124   8.797  17.414
ATOM    741  C   MET    49      22.750   8.184  15.470
ATOM    742  O   MET    49      22.654   9.379  15.196
ATOM    743  N   MET    50      21.798   7.298  15.193
ATOM    744  HN  MET    50      21.938   6.329  15.443
ATOM    745  CA  MET    50      20.557   7.692  14.537
ATOM    746  HA  MET    50      20.796   8.123  13.587
ATOM    747  CB  MET    50      19.667   6.469  14.306
ATOM    748 2HB  MET    50      19.791   5.798  15.134
ATOM    749 3HB  MET    50      18.646   6.796  14.261
ATOM    750  CG  MET    50      19.988   5.717  13.025
ATOM    751 2HG  MET    50      19.126   5.147  12.736
ATOM    752 3HG  MET    50      20.219   6.430  12.257
ATOM    753  SD  MET    50      21.386   4.595  13.210
ATOM    754  CE  MET    50      22.737   5.647  12.684
ATOM    755 1HE  MET    50      22.567   5.971  11.646
ATOM    756 2HE  MET    50      22.791   6.530  13.340
ATOM    757 3HE  MET    50      23.683   5.087  12.744
ATOM    758  C   MET    50      19.809   8.730  15.367
ATOM    759  O   MET    50      19.348   9.743  14.842
ATOM    760  N   GLU    51      19.693   8.471  16.666
ATOM    761  HN  GLU    51      20.095   7.622  17.037
ATOM    762  CA  GLU    51      18.999   9.384  17.568
ATOM    763  HA  GLU    51      17.995   9.510  17.219
ATOM    764  CB  GLU    51      18.953   8.802  18.982
ATOM    765 2HB  GLU    51      18.321   7.935  18.972
ATOM    766 3HB  GLU    51      19.948   8.516  19.264
ATOM    767  CG  GLU    51      18.420   9.773  20.022
ATOM    768 2HG  GLU    51      19.223  10.408  20.343
ATOM    769 3HG  GLU    51      17.650  10.370  19.572
ATOM    770  CD  GLU    51      17.843   9.069  21.235
ATOM    771  OE1 GLU    51      16.638   8.742  21.213
ATOM    772  OE2 GLU    51      18.595   8.846  22.206
ATOM    773  C   GLU    51      19.681  10.749  17.590
ATOM    774  O   GLU    51      19.049  11.765  17.877
ATOM    775  N   GLU    52      20.975  10.763  17.284
ATOM    776  HN  GLU    52      21.437   9.895  17.055
ATOM    777  CA  GLU    52      21.742  12.003  17.271
ATOM    778  HA  GLU    52      21.413  12.615  18.085
ATOM    779  CB  GLU    52      23.233  11.708  17.454
ATOM    780 2HB  GLU    52      23.475  10.825  16.894
ATOM    781 3HB  GLU    52      23.793  12.539  17.071
ATOM    782  CG  GLU    52      23.636  11.484  18.902
ATOM    783 2HG  GLU    52      23.004  10.725  19.322
ATOM    784 3HG  GLU    52      24.656  11.153  18.928
ATOM    785  CD  GLU    52      23.511  12.740  19.742
ATOM    786  OE1 GLU    52      23.203  13.807  19.172
ATOM    787  OE2 GLU    52      23.723  12.656  20.970
ATOM    788  C   GLU    52      21.520  12.766  15.968
ATOM    789  O   GLU    52      21.596  13.994  15.935
ATOM    790  N   VAL    53      21.245  12.029  14.897
ATOM    791  HN  VAL    53      21.197  11.024  14.989
ATOM    792  CA  VAL    53      21.011  12.635  13.592
ATOM    793  HA  VAL    53      21.574  13.543  13.535
ATOM    794  CB  VAL    53      21.469  11.707  12.451
ATOM    795  HB  VAL    53      22.286  11.115  12.807
ATOM    796  CG1 VAL    53      20.344  10.769  12.042
ATOM    797 1HG1 VAL    53      20.047  10.154  12.905
ATOM    798 2HG1 VAL    53      19.481  11.359  11.698
ATOM    799 3HG1 VAL    53      20.690  10.115  11.227
ATOM    800  CG2 VAL    53      21.954  12.523  11.262
ATOM    801 1HG2 VAL    53      21.135  13.161  10.896
ATOM    802 2HG2 VAL    53      22.801  13.154  11.571
ATOM    803 3HG2 VAL    53      22.277  11.844  10.458
ATOM    804  C   VAL    53      19.537  12.971  13.398
ATOM    805  O   VAL    53      19.179  13.769  12.533
ATOM    806  N   GLY    54      18.683  12.355  14.211
ATOM    807  HN  GLY    54      19.031  11.708  14.904
ATOM    808  CA  GLY    54      17.257  12.602  14.113
ATOM    809 2HA  GLY    54      16.876  12.815  15.093
ATOM    810 3HA  GLY    54      17.098  13.451  13.476
ATOM    811  C   GLY    54      16.501  11.418  13.544
ATOM    812  O   GLY    54      15.569  11.588  12.758
ATOM    813  N   ILE    55      16.905  10.215  13.938
ATOM    814  HN  ILE    55      17.678  10.142  14.584
ATOM    815  CA  ILE    55      16.259   8.998  13.461
ATOM    816  HA  ILE    55      15.310   9.261  13.042
ATOM    817  CB  ILE    55      17.098   8.308  12.369
ATOM    818  HB  ILE    55      18.018   7.980  12.805
ATOM    819  CG2 ILE    55      16.361   7.093  11.825
ATOM    820 1HG2 ILE    55      16.178   6.379  12.642
ATOM    821 2HG2 ILE    55      15.400   7.410  11.393
ATOM    822 3HG2 ILE    55      16.972   6.611  11.046
ATOM    823  CG1 ILE    55      17.418   9.292  11.242
ATOM    824 2HG1 ILE    55      17.657  10.243  11.679
ATOM    825 3HG1 ILE    55      18.268   8.924  10.701
ATOM    826  CD1 ILE    55      16.278   9.486  10.268
ATOM    827 1HD1 ILE    55      16.026   8.521   9.801
ATOM    828 2HD1 ILE    55      15.399   9.875  10.805
ATOM    829 3HD1 ILE    55      16.579  10.203   9.489
ATOM    830  C   ILE    55      16.024   8.016  14.603
ATOM    831  O   ILE    55      16.909   7.782  15.426
ATOM    832  N   ASP    56      14.826   7.443  14.646
ATOM    833  HN  ASP    56      14.142   7.678  13.941
ATOM    834  CA  ASP    56      14.475   6.483  15.686
ATOM    835  HA  ASP    56      15.230   6.510  16.443
ATOM    836  CB  ASP    56      13.135   6.856  16.322
ATOM    837 2HB  ASP    56      12.593   7.483  15.641
ATOM    838 3HB  ASP    56      12.577   5.957  16.502
ATOM    839  CG  ASP    56      13.303   7.595  17.635
ATOM    840  OD1 ASP    56      13.933   7.034  18.556
ATOM    841  OD2 ASP    56      12.805   8.735  17.741
ATOM    842  C   ASP    56      14.407   5.069  15.119
ATOM    843  O   ASP    56      13.531   4.754  14.313
ATOM    844  N   ILE    57      15.337   4.221  15.545
ATOM    845  HN  ILE    57      16.029   4.541  16.207
ATOM    846  CA  ILE    57      15.382   2.840  15.079
ATOM    847  HA  ILE    57      14.398   2.556  14.769
ATOM    848  CB  ILE    57      16.334   2.682  13.879
ATOM    849  HB  ILE    57      16.441   1.639  13.666
ATOM    850  CG2 ILE    57      15.756   3.368  12.650
ATOM    851 1HG2 ILE    57      14.785   2.914  12.399
ATOM    852 2HG2 ILE    57      15.617   4.440  12.859
ATOM    853 3HG2 ILE    57      16.448   3.246  11.802
ATOM    854  CG1 ILE    57      17.713   3.252  14.215
ATOM    855 2HG1 ILE    57      17.757   4.264  13.862
ATOM    856 3HG1 ILE    57      17.835   3.239  15.281
ATOM    857  CD1 ILE    57      18.855   2.478  13.593
ATOM    858 1HD1 ILE    57      18.832   1.438  13.953
ATOM    859 2HD1 ILE    57      18.752   2.490  12.497
ATOM    860 3HD1 ILE    57      19.811   2.944  13.877
ATOM    861  C   ILE    57      15.827   1.899  16.194
ATOM    862  O   ILE    57      16.858   1.235  16.085
ATOM    863  N   SER    58      15.041   1.845  17.264
ATOM    864  HN  SER    58      14.206   2.413  17.291
ATOM    865  CA  SER    58      15.354   0.986  18.400
ATOM    866  HA  SER    58      16.381   0.694  18.333
ATOM    867  CB  SER    58      15.148   1.745  19.713
ATOM    868 2HB  SER    58      16.080   1.790  20.242
ATOM    869 3HB  SER    58      14.813   2.740  19.494
ATOM    870  OG  SER    58      14.184   1.101  20.528
ATOM    871  HG  SER    58      14.073   1.595  21.344
ATOM    872  C   SER    58      14.490  -0.271  18.385
ATOM    873  O   SER    58      14.964  -1.368  18.677
ATOM    874  N   GLY    59      13.216  -0.102  18.043
ATOM    875  HN  GLY    59      12.879   0.822  17.813
ATOM    876  CA  GLY    59      12.304  -1.230  17.996
ATOM    877 2HA  GLY    59      12.614  -1.954  18.725
ATOM    878 3HA  GLY    59      11.316  -0.884  18.233
ATOM    879  C   GLY    59      12.273  -1.894  16.634
ATOM    880  O   GLY    59      11.358  -2.660  16.331
ATOM    881  N   GLN    60      13.274  -1.599  15.810
ATOM    882  HN  GLN    60      13.995  -0.963  16.118
ATOM    883  CA  GLN    60      13.355  -2.172  14.472
ATOM    884  HA  GLN    60      12.361  -2.302  14.097
ATOM    885  CB  GLN    60      14.109  -1.227  13.535
ATOM    886 2HB  GLN    60      14.199  -1.701  12.576
ATOM    887 3HB  GLN    60      13.540  -0.323  13.435
ATOM    888  CG  GLN    60      15.502  -0.866  14.026
ATOM    889 2HG  GLN    60      15.464   0.103  14.485
ATOM    890 3HG  GLN    60      15.810  -1.594  14.752
ATOM    891  CD  GLN    60      16.525  -0.834  12.908
ATOM    892  OE1 GLN    60      17.547  -1.519  12.967
ATOM    893  NE2 GLN    60      16.256  -0.038  11.881
ATOM    894 1HE2 GLN    60      16.902   0.023  11.107
ATOM    895 2HE2 GLN    60      15.405   0.506  11.873
ATOM    896  C   GLN    60      14.044  -3.532  14.503
ATOM    897  O   GLN    60      14.449  -4.012  15.563
ATOM    898  N   THR    61      14.173  -4.152  13.334
ATOM    899  HN  THR    61      13.820  -3.707  12.499
ATOM    900  CA  THR    61      14.811  -5.458  13.227
ATOM    901  HA  THR    61      14.634  -5.841  12.243
ATOM    902  CB  THR    61      16.332  -5.359  13.444
ATOM    903  HB  THR    61      16.770  -6.315  13.245
ATOM    904  CG2 THR    61      16.948  -4.334  12.504
ATOM    905 1HG2 THR    61      16.758  -4.631  11.461
ATOM    906 2HG2 THR    61      16.498  -3.347  12.692
ATOM    907 3HG2 THR    61      18.034  -4.282  12.678
ATOM    908  OG1 THR    61      16.611  -4.998  14.801
ATOM    909 1HG  THR    61      17.561  -4.939  14.927
ATOM    910  C   THR    61      14.227  -6.439  14.237
ATOM    911  O   THR    61      13.246  -6.135  14.916
ATOM    912  N   SER    62      14.837  -7.616  14.333
ATOM    913  HN  SER    62      15.640  -7.803  13.750
ATOM    914  CA  SER    62      14.376  -8.643  15.259
ATOM    915  HA  SER    62      14.597  -8.326  16.257
ATOM    916  CB  SER    62      12.863  -8.832  15.132
ATOM    917 2HB  SER    62      12.609  -9.834  15.422
ATOM    918 3HB  SER    62      12.367  -8.136  15.781
ATOM    919  OG  SER    62      12.431  -8.612  13.800
ATOM    920  HG  SER    62      11.481  -8.736  13.747
ATOM    921  C   SER    62      15.088  -9.967  15.001
ATOM    922  O   SER    62      15.890 -10.423  15.816
ATOM    923  N   ASP    63      14.789 -10.580  13.861
ATOM    924  HN  ASP    63      14.121 -10.155  13.234
ATOM    925  CA  ASP    63      15.401 -11.851  13.492
ATOM    926  HA  ASP    63      16.142 -12.097  14.224
ATOM    927  CB  ASP    63      14.349 -12.961  13.474
ATOM    928 2HB  ASP    63      14.109 -13.192  12.454
ATOM    929 3HB  ASP    63      14.758 -13.831  13.951
ATOM    930  CG  ASP    63      13.076 -12.565  14.195
ATOM    931  OD1 ASP    63      12.026 -12.453  13.528
ATOM    932  OD2 ASP    63      13.130 -12.366  15.427
ATOM    933  C   ASP    63      16.080 -11.754  12.130
ATOM    934  O   ASP    63      15.815 -10.847  11.341
ATOM    935  N   PRO    64      16.978 -12.709  11.846
ATOM    936  CD  PRO    64      17.343 -13.820  12.739
ATOM    937 2HD  PRO    64      16.468 -14.322  13.105
ATOM    938 3HD  PRO    64      17.927 -13.470  13.568
ATOM    939  CG  PRO    64      18.154 -14.727  11.854
ATOM    940 2HG  PRO    64      17.524 -15.469  11.402
ATOM    941 3HG  PRO    64      18.925 -15.211  12.422
ATOM    942  CB  PRO    64      18.754 -13.851  10.809
ATOM    943 2HB  PRO    64      18.927 -14.404   9.906
ATOM    944 3HB  PRO    64      19.679 -13.430  11.154
ATOM    945  CA  PRO    64      17.713 -12.752  10.578
ATOM    946  HA  PRO    64      18.199 -11.815  10.402
ATOM    947  C   PRO    64      16.815 -13.108   9.399
ATOM    948  O   PRO    64      15.589 -13.062   9.504
ATOM    949  N   ILE    65      17.433 -13.463   8.277
ATOM    950  HN  ILE    65      18.443 -13.480   8.255
ATOM    951  CA  ILE    65      16.689 -13.828   7.078
ATOM    952  HA  ILE    65      15.901 -13.117   6.940
ATOM    953  CB  ILE    65      17.588 -13.805   5.828
ATOM    954  HB  ILE    65      18.146 -12.892   5.828
ATOM    955  CG2 ILE    65      18.567 -14.969   5.858
ATOM    956 1HG2 ILE    65      19.199 -14.894   6.756
ATOM    957 2HG2 ILE    65      18.009 -15.918   5.881
ATOM    958 3HG2 ILE    65      19.201 -14.938   4.959
ATOM    959  CG1 ILE    65      16.735 -13.851   4.559
ATOM    960 2HG1 ILE    65      16.336 -14.842   4.454
ATOM    961 3HG1 ILE    65      15.929 -13.151   4.666
ATOM    962  CD1 ILE    65      17.503 -13.508   3.302
ATOM    963 1HD1 ILE    65      17.911 -12.489   3.388
ATOM    964 2HD1 ILE    65      18.329 -14.224   3.170
ATOM    965 3HD1 ILE    65      16.828 -13.561   2.434
ATOM    966  C   ILE    65      16.068 -15.214   7.218
ATOM    967  O   ILE    65      15.362 -15.681   6.325
ATOM    968  N   GLU    66      16.334 -15.865   8.346
ATOM    969  HN  GLU    66      16.920 -15.426   9.042
ATOM    970  CA  GLU    66      15.800 -17.197   8.603
ATOM    971  HA  GLU    66      15.698 -17.709   7.669
ATOM    972  CB  GLU    66      16.758 -17.993   9.491
ATOM    973 2HB  GLU    66      17.156 -17.333  10.237
ATOM    974 3HB  GLU    66      16.204 -18.779   9.968
ATOM    975  CG  GLU    66      17.918 -18.615   8.732
ATOM    976 2HG  GLU    66      17.524 -19.253   7.965
ATOM    977 3HG  GLU    66      18.495 -17.830   8.282
ATOM    978  CD  GLU    66      18.828 -19.435   9.625
ATOM    979  OE1 GLU    66      18.736 -20.680   9.582
ATOM    980  OE2 GLU    66      19.630 -18.833  10.368
ATOM    981  C   GLU    66      14.427 -17.115   9.263
ATOM    982  O   GLU    66      13.990 -18.052   9.931
ATOM    983  N   ASN    67      13.751 -15.987   9.071
ATOM    984  HN  ASN    67      14.164 -15.255   8.511
ATOM    985  CA  ASN    67      12.428 -15.780   9.649
ATOM    986  HA  ASN    67      11.922 -16.722   9.686
ATOM    987  CB  ASN    67      12.549 -15.236  11.074
ATOM    988 2HB  ASN    67      12.651 -14.169  11.028
ATOM    989 3HB  ASN    67      11.657 -15.487  11.616
ATOM    990  CG  ASN    67      13.744 -15.809  11.811
ATOM    991  OD1 ASN    67      13.603 -16.704  12.645
ATOM    992  ND2 ASN    67      14.930 -15.293  11.507
ATOM    993 1HD2 ASN    67      15.762 -15.635  11.966
ATOM    994 2HD2 ASN    67      14.999 -14.559  10.817
ATOM    995  C   ASN    67      11.605 -14.821   8.795
ATOM    996  O   ASN    67      10.654 -14.203   9.276
ATOM    997  N   PHE    68      11.976 -14.701   7.524
ATOM    998  HN  PHE    68      12.765 -15.236   7.189
ATOM    999  CA  PHE    68      11.273 -13.817   6.602
ATOM   1000  HA  PHE    68      10.309 -13.596   7.011
ATOM   1001  CB  PHE    68      12.043 -12.505   6.433
ATOM   1002 2HB  PHE    68      13.049 -12.737   6.139
ATOM   1003 3HB  PHE    68      11.569 -11.930   5.661
ATOM   1004  CG  PHE    68      12.093 -11.674   7.683
ATOM   1005  CD1 PHE    68      11.320 -10.531   7.802
ATOM   1006  HD1 PHE    68      10.673 -10.235   6.984
ATOM   1007  CE1 PHE    68      11.363  -9.763   8.951
ATOM   1008  HE1 PHE    68      10.752  -8.871   9.031
ATOM   1009  CZ  PHE    68      12.186 -10.135   9.996
ATOM   1010  HZ  PHE    68      12.223  -9.534  10.898
ATOM   1011  CE2 PHE    68      12.961 -11.273   9.891
ATOM   1012  HE2 PHE    68      13.606 -11.568  10.711
ATOM   1013  CD2 PHE    68      12.914 -12.036   8.739
ATOM   1014  HD2 PHE    68      13.526 -12.927   8.661
ATOM   1015  C   PHE    68      11.083 -14.487   5.245
ATOM   1016  O   PHE    68      11.600 -15.576   5.000
ATOM   1017  N   ASN    69      10.336 -13.827   4.365
ATOM   1018  HN  ASN    69       9.940 -12.935   4.626
ATOM   1019  CA  ASN    69      10.075 -14.358   3.033
ATOM   1020  HA  ASN    69      10.937 -14.904   2.709
ATOM   1021  CB  ASN    69       8.879 -15.312   3.066
ATOM   1022 2HB  ASN    69       8.375 -15.266   2.120
ATOM   1023 3HB  ASN    69       9.238 -16.309   3.231
ATOM   1024  CG  ASN    69       7.891 -14.962   4.162
ATOM   1025  OD1 ASN    69       7.531 -15.808   4.981
ATOM   1026  ND2 ASN    69       7.447 -13.711   4.180
ATOM   1027 1HD2 ASN    69       6.787 -13.420   4.887
ATOM   1028 2HD2 ASN    69       7.770 -13.051   3.487
ATOM   1029  C   ASN    69       9.813 -13.230   2.039
ATOM   1030  O   ASN    69       8.773 -12.573   2.091
ATOM   1031  N   ALA    70      10.762 -13.013   1.135
ATOM   1032  HN  ALA    70      11.593 -13.587   1.146
ATOM   1033  CA  ALA    70      10.633 -11.967   0.128
ATOM   1034  HA  ALA    70      10.678 -11.018   0.621
ATOM   1035  CB  ALA    70      11.783 -12.046  -0.865
ATOM   1036 1HB  ALA    70      12.738 -11.916  -0.332
ATOM   1037 2HB  ALA    70      11.771 -13.028  -1.363
ATOM   1038 3HB  ALA    70      11.672 -11.251  -1.619
ATOM   1039  C   ALA    70       9.296 -12.067  -0.599
ATOM   1040  O   ALA    70       8.760 -11.065  -1.074
ATOM   1041  N   ASP    71       8.763 -13.281  -0.682
ATOM   1042  HN  ASP    71       9.253 -14.063  -0.272
ATOM   1043  CA  ASP    71       7.487 -13.511  -1.351
ATOM   1044  HA  ASP    71       7.613 -13.324  -2.397
ATOM   1045  CB  ASP    71       7.046 -14.964  -1.167
ATOM   1046 2HB  ASP    71       7.899 -15.549  -0.882
ATOM   1047 3HB  ASP    71       6.308 -15.004  -0.389
ATOM   1048  CG  ASP    71       6.452 -15.554  -2.431
ATOM   1049  OD1 ASP    71       5.303 -15.198  -2.769
ATOM   1050  OD2 ASP    71       7.136 -16.370  -3.083
ATOM   1051  C   ASP    71       6.414 -12.569  -0.816
ATOM   1052  O   ASP    71       5.541 -12.121  -1.558
ATOM   1053  N   ASP    72       6.486 -12.273   0.477
ATOM   1054  HN  ASP    72       7.227 -12.674   1.034
ATOM   1055  CA  ASP    72       5.521 -11.383   1.113
ATOM   1056  HA  ASP    72       4.537 -11.684   0.822
ATOM   1057  CB  ASP    72       5.630 -11.483   2.635
ATOM   1058 2HB  ASP    72       5.344 -12.472   2.937
ATOM   1059 3HB  ASP    72       6.649 -11.302   2.920
ATOM   1060  CG  ASP    72       4.740 -10.481   3.346
ATOM   1061  OD1 ASP    72       5.277  -9.502   3.904
ATOM   1062  OD2 ASP    72       3.507 -10.677   3.342
ATOM   1063  C   ASP    72       5.738  -9.940   0.669
ATOM   1064  O   ASP    72       4.808  -9.133   0.670
ATOM   1065  N   TYR    73       6.971  -9.621   0.291
ATOM   1066  HN  TYR    73       7.691 -10.329   0.312
ATOM   1067  CA  TYR    73       7.310  -8.274  -0.153
ATOM   1068  HA  TYR    73       6.537  -7.606   0.165
ATOM   1069  CB  TYR    73       8.630  -7.825   0.476
ATOM   1070 2HB  TYR    73       9.433  -8.340  -0.015
ATOM   1071 3HB  TYR    73       8.737  -6.768   0.323
ATOM   1072  CG  TYR    73       8.720  -8.104   1.959
ATOM   1073  CD1 TYR    73       8.934  -9.393   2.432
ATOM   1074  HD1 TYR    73       9.038 -10.209   1.726
ATOM   1075  CE1 TYR    73       9.016  -9.653   3.786
ATOM   1076  HE1 TYR    73       9.182 -10.665   4.138
ATOM   1077  CZ  TYR    73       8.885  -8.618   4.688
ATOM   1078  OH  TYR    73       8.966  -8.872   6.038
ATOM   1079  HH  TYR    73       8.855  -8.052   6.525
ATOM   1080  CE2 TYR    73       8.672  -7.330   4.244
ATOM   1081  HE2 TYR    73       8.569  -6.519   4.955
ATOM   1082  CD2 TYR    73       8.590  -7.079   2.888
ATOM   1083  HD2 TYR    73       8.421  -6.065   2.543
ATOM   1084  C   TYR    73       7.411  -8.211  -1.674
ATOM   1085  O   TYR    73       7.232  -9.216  -2.362
ATOM   1086  N   ASP    74       7.699  -7.022  -2.192
ATOM   1087  HN  ASP    74       7.833  -6.235  -1.574
ATOM   1088  CA  ASP    74       7.826  -6.825  -3.631
ATOM   1089  HA  ASP    74       7.744  -7.777  -4.113
ATOM   1090  CB  ASP    74       6.705  -5.921  -4.145
ATOM   1091 2HB  ASP    74       6.421  -5.245  -3.361
ATOM   1092 3HB  ASP    74       7.071  -5.362  -4.984
ATOM   1093  CG  ASP    74       5.482  -6.705  -4.579
ATOM   1094  OD1 ASP    74       5.487  -7.234  -5.710
ATOM   1095  OD2 ASP    74       4.520  -6.790  -3.787
ATOM   1096  C   ASP    74       9.183  -6.221  -3.979
ATOM   1097  O   ASP    74       9.528  -6.077  -5.153
ATOM   1098  N   VAL    75       9.950  -5.869  -2.952
ATOM   1099  HN  VAL    75       9.611  -6.013  -2.012
ATOM   1100  CA  VAL    75      11.269  -5.280  -3.149
ATOM   1101  HA  VAL    75      11.665  -5.641  -4.075
ATOM   1102  CB  VAL    75      11.194  -3.744  -3.219
ATOM   1103  HB  VAL    75      10.589  -3.400  -2.407
ATOM   1104  CG1 VAL    75      12.579  -3.134  -3.073
ATOM   1105 1HG1 VAL    75      13.008  -3.426  -2.102
ATOM   1106 2HG1 VAL    75      13.227  -3.497  -3.885
ATOM   1107 3HG1 VAL    75      12.504  -2.037  -3.126
ATOM   1108  CG2 VAL    75      10.542  -3.301  -4.521
ATOM   1109 1HG2 VAL    75      11.135  -3.669  -5.372
ATOM   1110 2HG2 VAL    75       9.522  -3.712  -4.579
ATOM   1111 3HG2 VAL    75      10.497  -2.201  -4.553
ATOM   1112  C   VAL    75      12.223  -5.681  -2.029
ATOM   1113  O   VAL    75      11.820  -5.813  -0.874
ATOM   1114  N   VAL    76      13.491  -5.873  -2.379
ATOM   1115  HN  VAL    76      13.760  -5.749  -3.345
ATOM   1116  CA  VAL    76      14.503  -6.258  -1.403
ATOM   1117  HA  VAL    76      14.165  -5.964  -0.431
ATOM   1118  CB  VAL    76      14.729  -7.781  -1.399
ATOM   1119  HB  VAL    76      15.383  -8.021  -0.587
ATOM   1120  CG1 VAL    76      13.414  -8.515  -1.185
ATOM   1121 1HG1 VAL    76      12.980  -8.216  -0.219
ATOM   1122 2HG1 VAL    76      12.715  -8.260  -1.996
ATOM   1123 3HG1 VAL    76      13.596  -9.601  -1.185
ATOM   1124  CG2 VAL    76      15.392  -8.225  -2.694
ATOM   1125 1HG2 VAL    76      14.746  -7.962  -3.546
ATOM   1126 2HG2 VAL    76      16.364  -7.720  -2.801
ATOM   1127 3HG2 VAL    76      15.545  -9.315  -2.673
ATOM   1128  C   VAL    76      15.829  -5.560  -1.684
ATOM   1129  O   VAL    76      16.180  -5.312  -2.838
ATOM   1130  N   ILE    77      16.562  -5.245  -0.621
ATOM   1131  HN  ILE    77      16.218  -5.474   0.300
ATOM   1132  CA  ILE    77      17.851  -4.577  -0.753
ATOM   1133  HA  ILE    77      18.202  -4.715  -1.754
ATOM   1134  CB  ILE    77      17.731  -3.065  -0.484
ATOM   1135  HB  ILE    77      17.386  -2.925   0.519
ATOM   1136  CG2 ILE    77      19.088  -2.393  -0.625
ATOM   1137 1HG2 ILE    77      19.792  -2.832   0.099
ATOM   1138 2HG2 ILE    77      19.469  -2.547  -1.646
ATOM   1139 3HG2 ILE    77      18.985  -1.314  -0.430
ATOM   1140  CG1 ILE    77      16.716  -2.434  -1.439
ATOM   1141 2HG1 ILE    77      15.762  -2.896  -1.274
ATOM   1142 3HG1 ILE    77      16.649  -1.386  -1.219
ATOM   1143  CD1 ILE    77      17.079  -2.595  -2.899
ATOM   1144 1HD1 ILE    77      18.052  -2.117  -3.090
ATOM   1145 2HD1 ILE    77      17.141  -3.666  -3.146
ATOM   1146 3HD1 ILE    77      16.307  -2.119  -3.524
ATOM   1147  C   ILE    77      18.879  -5.172   0.204
ATOM   1148  O   ILE    77      19.079  -4.667   1.309
ATOM   1149  N   SER    78      19.530  -6.246  -0.230
ATOM   1150  HN  SER    78      19.322  -6.610  -1.149
ATOM   1151  CA  SER    78      20.537  -6.912   0.588
ATOM   1152  HA  SER    78      20.131  -7.070   1.565
ATOM   1153  CB  SER    78      20.898  -8.271  -0.015
ATOM   1154 2HB  SER    78      20.135  -8.981   0.239
ATOM   1155 3HB  SER    78      20.958  -8.176  -1.082
ATOM   1156  OG  SER    78      22.143  -8.733   0.479
ATOM   1157  HG  SER    78      22.347  -9.585   0.087
ATOM   1158  C   SER    78      21.789  -6.050   0.716
ATOM   1159  O   SER    78      22.044  -5.177  -0.115
ATOM   1160  N   LEU    79      22.568  -6.301   1.763
ATOM   1161  HN  LEU    79      22.304  -7.030   2.410
ATOM   1162  CA  LEU    79      23.795  -5.549   2.001
ATOM   1163  HA  LEU    79      24.113  -5.115   1.076
ATOM   1164  CB  LEU    79      23.540  -4.424   3.005
ATOM   1165 2HB  LEU    79      22.872  -4.800   3.756
ATOM   1166 3HB  LEU    79      24.479  -4.169   3.457
ATOM   1167  CG  LEU    79      22.931  -3.142   2.436
ATOM   1168  HG  LEU    79      23.144  -3.104   1.388
ATOM   1169  CD1 LEU    79      21.421  -3.141   2.619
ATOM   1170 1HD1 LEU    79      20.987  -4.006   2.094
ATOM   1171 2HD1 LEU    79      21.181  -3.205   3.692
ATOM   1172 3HD1 LEU    79      21.002  -2.212   2.204
ATOM   1173  CD2 LEU    79      23.551  -1.919   3.096
ATOM   1174 1HD2 LEU    79      23.364  -1.953   4.181
ATOM   1175 2HD2 LEU    79      24.636  -1.912   2.910
ATOM   1176 3HD2 LEU    79      23.101  -1.007   2.674
ATOM   1177  C   LEU    79      24.903  -6.463   2.515
ATOM   1178  O   LEU    79      25.940  -5.994   2.986
ATOM   1179  N   CYS    80      24.677  -7.769   2.419
ATOM   1180  HN  CYS    80      23.806  -8.091   2.022
ATOM   1181  CA  CYS    80      25.657  -8.749   2.873
ATOM   1182  HA  CYS    80      25.832  -8.596   3.917
ATOM   1183  CB  CYS    80      25.121 -10.168   2.673
ATOM   1184 2HB  CYS    80      24.146 -10.226   3.118
ATOM   1185 3HB  CYS    80      25.044 -10.354   1.619
ATOM   1186  SG  CYS    80      26.156 -11.458   3.403
ATOM   1187  HG  CYS    80      25.607 -12.648   3.176
ATOM   1188  C   CYS    80      26.978  -8.582   2.130
ATOM   1189  O   CYS    80      28.020  -9.056   2.581
ATOM   1190  N   GLY    81      26.927  -7.906   0.986
ATOM   1191  HN  GLY    81      26.044  -7.539   0.663
ATOM   1192  CA  GLY    81      28.125  -7.690   0.197
ATOM   1193 2HA  GLY    81      28.368  -6.645   0.220
ATOM   1194 3HA  GLY    81      28.929  -8.254   0.630
ATOM   1195  C   GLY    81      27.954  -8.118  -1.246
ATOM   1196  O   GLY    81      28.920  -8.506  -1.905
ATOM   1197  N   CYS    82      26.723  -8.050  -1.740
ATOM   1198  HN  CYS    82      25.973  -7.722  -1.149
ATOM   1199  CA  CYS    82      26.428  -8.437  -3.115
ATOM   1200  HA  CYS    82      25.367  -8.521  -3.225
ATOM   1201  CB  CYS    82      26.934  -7.369  -4.086
ATOM   1202 2HB  CYS    82      26.622  -6.409  -3.724
ATOM   1203 3HB  CYS    82      28.006  -7.412  -4.106
ATOM   1204  SG  CYS    82      26.326  -7.563  -5.778
ATOM   1205  HG  CYS    82      26.820  -6.592  -6.541
ATOM   1206  C   CYS    82      27.058  -9.785  -3.448
ATOM   1207  O   CYS    82      27.795  -9.913  -4.425
ATOM   1208  N   GLY    83      26.764 -10.789  -2.627
ATOM   1209  HN  GLY    83      26.153 -10.627  -1.839
ATOM   1210  CA  GLY    83      27.311 -12.114  -2.851
ATOM   1211 2HA  GLY    83      27.170 -12.375  -3.882
ATOM   1212 3HA  GLY    83      28.360 -12.096  -2.627
ATOM   1213  C   GLY    83      26.647 -13.169  -1.987
ATOM   1214  O   GLY    83      27.249 -14.198  -1.679
ATOM   1215  N   VAL    84      25.403 -12.913  -1.595
ATOM   1216  HN  VAL    84      24.964 -12.050  -1.882
ATOM   1217  CA  VAL    84      24.657 -13.848  -0.761
ATOM   1218  HA  VAL    84      25.349 -14.539  -0.326
ATOM   1219  CB  VAL    84      23.917 -13.119   0.376
ATOM   1220  HB  VAL    84      24.642 -12.609   0.976
ATOM   1221  CG1 VAL    84      22.954 -12.086  -0.190
ATOM   1222 1HG1 VAL    84      23.515 -11.347  -0.782
ATOM   1223 2HG1 VAL    84      22.215 -12.587  -0.834
ATOM   1224 3HG1 VAL    84      22.435 -11.576   0.637
ATOM   1225  CG2 VAL    84      23.183 -14.116   1.259
ATOM   1226 1HG2 VAL    84      22.450 -14.672   0.654
ATOM   1227 2HG2 VAL    84      23.907 -14.820   1.697
ATOM   1228 3HG2 VAL    84      22.661 -13.577   2.065
ATOM   1229  C   VAL    84      23.647 -14.635  -1.588
ATOM   1230  O   VAL    84      22.784 -14.057  -2.247
ATOM   1231  N   ASN    85      23.760 -15.959  -1.547
ATOM   1232  HN  ASN    85      24.490 -16.374  -0.986
ATOM   1233  CA  ASN    85      22.856 -16.826  -2.293
ATOM   1234  HA  ASN    85      22.858 -16.519  -3.318
ATOM   1235  CB  ASN    85      23.332 -18.279  -2.218
ATOM   1236 2HB  ASN    85      24.397 -18.287  -2.085
ATOM   1237 3HB  ASN    85      22.863 -18.753  -1.377
ATOM   1238  CG  ASN    85      22.992 -19.063  -3.471
ATOM   1239  OD1 ASN    85      22.245 -20.040  -3.421
ATOM   1240  ND2 ASN    85      23.542 -18.638  -4.603
ATOM   1241 1HD2 ASN    85      23.352 -19.121  -5.469
ATOM   1242 2HD2 ASN    85      24.150 -17.832  -4.597
ATOM   1243  C   ASN    85      21.432 -16.718  -1.756
ATOM   1244  O   ASN    85      21.079 -17.360  -0.766
ATOM   1245  N   LEU    86      20.617 -15.903  -2.416
ATOM   1246  HN  LEU    86      20.966 -15.404  -3.222
ATOM   1247  CA  LEU    86      19.230 -15.710  -2.006
ATOM   1248  HA  LEU    86      19.152 -15.919  -0.960
ATOM   1249  CB  LEU    86      18.803 -14.261  -2.246
ATOM   1250 2HB  LEU    86      19.192 -13.958  -3.199
ATOM   1251 3HB  LEU    86      17.731 -14.235  -2.273
ATOM   1252  CG  LEU    86      19.270 -13.243  -1.204
ATOM   1253  HG  LEU    86      19.847 -13.758  -0.464
ATOM   1254  CD1 LEU    86      20.152 -12.186  -1.850
ATOM   1255 1HD1 LEU    86      21.034 -12.668  -2.299
ATOM   1256 2HD1 LEU    86      19.583 -11.661  -2.633
ATOM   1257 3HD1 LEU    86      20.478 -11.463  -1.086
ATOM   1258  CD2 LEU    86      18.076 -12.597  -0.517
ATOM   1259 1HD2 LEU    86      17.456 -12.082  -1.267
ATOM   1260 2HD2 LEU    86      17.477 -13.373  -0.015
ATOM   1261 3HD2 LEU    86      18.431 -11.869   0.228
ATOM   1262  C   LEU    86      18.303 -16.657  -2.761
ATOM   1263  O   LEU    86      18.552 -17.025  -3.909
ATOM   1264  N   PRO    87      17.205 -17.060  -2.104
ATOM   1265  CD  PRO    87      16.845 -16.661  -0.733
ATOM   1266 2HD  PRO    87      16.897 -15.596  -0.617
ATOM   1267 3HD  PRO    87      17.489 -17.131  -0.015
ATOM   1268  CG  PRO    87      15.430 -17.150  -0.589
ATOM   1269 2HG  PRO    87      14.738 -16.375  -0.859
ATOM   1270 3HG  PRO    87      15.244 -17.460   0.421
ATOM   1271  CB  PRO    87      15.299 -18.307  -1.518
ATOM   1272 2HB  PRO    87      14.284 -18.414  -1.849
ATOM   1273 3HB  PRO    87      15.617 -19.214  -1.040
ATOM   1274  CA  PRO    87      16.217 -17.967  -2.695
ATOM   1275  HA  PRO    87      16.698 -18.852  -3.056
ATOM   1276  C   PRO    87      15.422 -17.306  -3.816
ATOM   1277  O   PRO    87      15.567 -16.116  -4.095
ATOM   1278  N   PRO    88      14.560 -18.095  -4.476
ATOM   1279  CD  PRO    88      14.336 -19.523  -4.197
ATOM   1280 2HD  PRO    88      14.162 -19.687  -3.151
ATOM   1281 3HD  PRO    88      15.173 -20.113  -4.517
ATOM   1282  CG  PRO    88      13.109 -19.847  -5.005
ATOM   1283 2HG  PRO    88      12.226 -19.724  -4.408
ATOM   1284 3HG  PRO    88      13.157 -20.856  -5.368
ATOM   1285  CB  PRO    88      13.103 -18.886  -6.144
ATOM   1286 2HB  PRO    88      12.100 -18.703  -6.479
ATOM   1287 3HB  PRO    88      13.689 -19.263  -6.960
ATOM   1288  CA  PRO    88      13.725 -17.607  -5.577
ATOM   1289  HA  PRO    88      14.333 -17.132  -6.319
ATOM   1290  C   PRO    88      12.636 -16.652  -5.100
ATOM   1291  O   PRO    88      11.751 -16.274  -5.865
ATOM   1292  N   GLU    89      12.710 -16.265  -3.830
ATOM   1293  HN  GLU    89      13.463 -16.611  -3.252
ATOM   1294  CA  GLU    89      11.730 -15.353  -3.251
ATOM   1295  HA  GLU    89      10.811 -15.456  -3.789
ATOM   1296  CB  GLU    89      11.477 -15.705  -1.784
ATOM   1297 2HB  GLU    89      12.081 -15.063  -1.172
ATOM   1298 3HB  GLU    89      10.440 -15.532  -1.568
ATOM   1299  CG  GLU    89      11.806 -17.148  -1.438
ATOM   1300 2HG  GLU    89      12.860 -17.302  -1.570
ATOM   1301 3HG  GLU    89      11.545 -17.324  -0.412
ATOM   1302  CD  GLU    89      11.058 -18.140  -2.307
ATOM   1303  OE1 GLU    89      11.424 -19.334  -2.292
ATOM   1304  OE2 GLU    89      10.107 -17.723  -3.001
ATOM   1305  C   GLU    89      12.199 -13.906  -3.366
ATOM   1306  O   GLU    89      11.397 -12.998  -3.588
ATOM   1307  N   TRP    90      13.502 -13.699  -3.212
ATOM   1308  HN  TRP    90      14.108 -14.486  -3.031
ATOM   1309  CA  TRP    90      14.078 -12.362  -3.298
ATOM   1310  HA  TRP    90      13.327 -11.650  -3.028
ATOM   1311  CB  TRP    90      15.250 -12.226  -2.324
ATOM   1312 2HB  TRP    90      16.064 -12.824  -2.686
ATOM   1313 3HB  TRP    90      15.549 -11.196  -2.293
ATOM   1314  CG  TRP    90      14.918 -12.668  -0.930
ATOM   1315  CD1 TRP    90      14.462 -13.897  -0.548
ATOM   1316  HD1 TRP    90      14.279 -14.729  -1.219
ATOM   1317  NE1 TRP    90      14.269 -13.924   0.813
ATOM   1318  HE1 TRP    90      13.935 -14.716   1.343
ATOM   1319  CE2 TRP    90      14.603 -12.702   1.334
ATOM   1320  CZ2 TRP    90      14.576 -12.248   2.650
ATOM   1321  HZ2 TRP    90      14.254 -12.893   3.460
ATOM   1322  CH2 TRP    90      14.971 -10.959   2.885
ATOM   1323  HH2 TRP    90      14.963 -10.577   3.900
ATOM   1324  CZ3 TRP    90      15.386 -10.123   1.840
ATOM   1325  HZ3 TRP    90      15.691  -9.106   2.060
ATOM   1326  CE3 TRP    90      15.413 -10.572   0.533
ATOM   1327  HE3 TRP    90      15.736  -9.918  -0.269
ATOM   1328  CD2 TRP    90      15.016 -11.884   0.264
ATOM   1329  C   TRP    90      14.544 -12.060  -4.718
ATOM   1330  O   TRP    90      14.941 -10.936  -5.025
ATOM   1331  N   VAL    91      14.493 -13.070  -5.580
ATOM   1332  HN  VAL    91      14.158 -13.970  -5.266
ATOM   1333  CA  VAL    91      14.909 -12.911  -6.969
ATOM   1334  HA  VAL    91      15.621 -12.114  -7.019
ATOM   1335  CB  VAL    91      15.575 -14.192  -7.505
ATOM   1336  HB  VAL    91      15.473 -14.958  -6.765
ATOM   1337  CG1 VAL    91      14.884 -14.661  -8.777
ATOM   1338 1HG1 VAL    91      13.825 -14.872  -8.563
ATOM   1339 2HG1 VAL    91      14.954 -13.874  -9.544
ATOM   1340 3HG1 VAL    91      15.373 -15.576  -9.144
ATOM   1341  CG2 VAL    91      17.058 -13.958  -7.750
ATOM   1342 1HG2 VAL    91      17.185 -13.152  -8.489
ATOM   1343 2HG2 VAL    91      17.545 -13.670  -6.806
ATOM   1344 3HG2 VAL    91      17.517 -14.883  -8.132
ATOM   1345  C   VAL    91      13.724 -12.556  -7.860
ATOM   1346  O   VAL    91      13.887 -11.934  -8.911
ATOM   1347  N   THR    92      12.529 -12.954  -7.434
ATOM   1348  HN  THR    92      12.460 -13.460  -6.562
ATOM   1349  CA  THR    92      11.316 -12.679  -8.193
ATOM   1350  HA  THR    92      11.551 -12.730  -9.236
ATOM   1351  CB  THR    92      10.218 -13.716  -7.892
ATOM   1352  HB  THR    92       9.361 -13.493  -8.492
ATOM   1353  CG2 THR    92      10.695 -15.122  -8.224
ATOM   1354 1HG2 THR    92      10.953 -15.179  -9.293
ATOM   1355 2HG2 THR    92      11.583 -15.361  -7.619
ATOM   1356 3HG2 THR    92       9.894 -15.844  -8.001
ATOM   1357  OG1 THR    92       9.844 -13.647  -6.511
ATOM   1358 1HG  THR    92       9.160 -14.296  -6.332
ATOM   1359  C   THR    92      10.781 -11.285  -7.888
ATOM   1360  O   THR    92      10.014 -10.721  -8.667
ATOM   1361  N   GLN    93      11.191 -10.735  -6.749
ATOM   1362  HN  GLN    93      11.822 -11.250  -6.152
ATOM   1363  CA  GLN    93      10.751  -9.406  -6.342
ATOM   1364  HA  GLN    93       9.721  -9.461  -6.057
ATOM   1365  CB  GLN    93      11.564  -8.923  -5.139
ATOM   1366 2HB  GLN    93      12.577  -8.765  -5.455
ATOM   1367 3HB  GLN    93      11.147  -7.995  -4.798
ATOM   1368  CG  GLN    93      11.570  -9.903  -3.976
ATOM   1369 2HG  GLN    93      11.873 -10.866  -4.340
ATOM   1370 3HG  GLN    93      12.273  -9.560  -3.242
ATOM   1371  CD  GLN    93      10.210 -10.038  -3.320
ATOM   1372  OE1 GLN    93       9.825  -9.217  -2.487
ATOM   1373  NE2 GLN    93       9.473 -11.078  -3.694
ATOM   1374 1HE2 GLN    93       8.558 -11.219  -3.291
ATOM   1375 2HE2 GLN    93       9.828 -11.727  -4.381
ATOM   1376  C   GLN    93      10.883  -8.413  -7.491
ATOM   1377  O   GLN    93      11.584  -8.671  -8.469
ATOM   1378  N   GLU    94      10.205  -7.276  -7.366
ATOM   1379  HN  GLU    94       9.648  -7.123  -6.538
ATOM   1380  CA  GLU    94      10.247  -6.245  -8.396
ATOM   1381  HA  GLU    94      10.094  -6.709  -9.348
ATOM   1382  CB  GLU    94       9.133  -5.221  -8.169
ATOM   1383 2HB  GLU    94       8.308  -5.469  -8.809
ATOM   1384 3HB  GLU    94       8.821  -5.281  -7.144
ATOM   1385  CG  GLU    94       9.553  -3.790  -8.460
ATOM   1386 2HG  GLU    94      10.122  -3.423  -7.628
ATOM   1387 3HG  GLU    94      10.165  -3.784  -9.341
ATOM   1388  CD  GLU    94       8.370  -2.868  -8.684
ATOM   1389  OE1 GLU    94       8.207  -2.380  -9.822
ATOM   1390  OE2 GLU    94       7.608  -2.635  -7.723
ATOM   1391  C   GLU    94      11.602  -5.544  -8.410
ATOM   1392  O   GLU    94      12.120  -5.192  -9.470
ATOM   1393  N   ILE    95      12.170  -5.344  -7.225
ATOM   1394  HN  ILE    95      11.693  -5.655  -6.391
ATOM   1395  CA  ILE    95      13.465  -4.686  -7.101
ATOM   1396  HA  ILE    95      13.909  -4.629  -8.073
ATOM   1397  CB  ILE    95      13.318  -3.256  -6.548
ATOM   1398  HB  ILE    95      12.730  -3.296  -5.655
ATOM   1399  CG2 ILE    95      14.683  -2.680  -6.201
ATOM   1400 1HG2 ILE    95      15.165  -3.312  -5.439
ATOM   1401 2HG2 ILE    95      15.310  -2.652  -7.105
ATOM   1402 3HG2 ILE    95      14.561  -1.659  -5.808
ATOM   1403  CG1 ILE    95      12.600  -2.365  -7.563
ATOM   1404 2HG1 ILE    95      13.338  -1.891  -8.181
ATOM   1405 3HG1 ILE    95      11.969  -2.984  -8.172
ATOM   1406  CD1 ILE    95      11.746  -1.290  -6.926
ATOM   1407 1HD1 ILE    95      10.975  -1.759  -6.296
ATOM   1408 2HD1 ILE    95      12.380  -0.638  -6.305
ATOM   1409 3HD1 ILE    95      11.263  -0.691  -7.713
ATOM   1410  C   ILE    95      14.398  -5.478  -6.191
ATOM   1411  O   ILE    95      14.117  -5.666  -5.008
ATOM   1412  N   PHE    96      15.512  -5.937  -6.752
ATOM   1413  HN  PHE    96      15.686  -5.747  -7.729
ATOM   1414  CA  PHE    96      16.489  -6.708  -5.991
ATOM   1415  HA  PHE    96      16.240  -6.643  -4.952
ATOM   1416  CB  PHE    96      16.448  -8.179  -6.410
ATOM   1417 2HB  PHE    96      15.531  -8.608  -6.054
ATOM   1418 3HB  PHE    96      16.473  -8.228  -7.482
ATOM   1419  CG  PHE    96      17.592  -8.988  -5.871
ATOM   1420  CD1 PHE    96      18.111 -10.049  -6.596
ATOM   1421  HD1 PHE    96      17.685 -10.297  -7.562
ATOM   1422  CE1 PHE    96      19.164 -10.795  -6.103
ATOM   1423  HE1 PHE    96      19.561 -11.621  -6.681
ATOM   1424  CZ  PHE    96      19.710 -10.487  -4.872
ATOM   1425  HZ  PHE    96      20.535 -11.072  -4.482
ATOM   1426  CE2 PHE    96      19.202  -9.432  -4.139
ATOM   1427  HE2 PHE    96      19.629  -9.187  -3.173
ATOM   1428  CD2 PHE    96      18.149  -8.689  -4.638
ATOM   1429  HD2 PHE    96      17.754  -7.863  -4.058
ATOM   1430  C   PHE    96      17.895  -6.150  -6.190
ATOM   1431  O   PHE    96      18.545  -6.423  -7.198
ATOM   1432  N   GLU    97      18.357  -5.367  -5.220
ATOM   1433  HN  GLU    97      17.774  -5.181  -4.416
ATOM   1434  CA  GLU    97      19.686  -4.770  -5.289
ATOM   1435  HA  GLU    97      20.176  -5.130  -6.169
ATOM   1436  CB  GLU    97      19.580  -3.246  -5.380
ATOM   1437 2HB  GLU    97      18.652  -2.943  -4.935
ATOM   1438 3HB  GLU    97      20.396  -2.816  -4.832
ATOM   1439  CG  GLU    97      19.626  -2.717  -6.804
ATOM   1440 2HG  GLU    97      20.026  -3.481  -7.442
ATOM   1441 3HG  GLU    97      18.627  -2.479  -7.115
ATOM   1442  CD  GLU    97      20.485  -1.475  -6.937
ATOM   1443  OE1 GLU    97      21.724  -1.597  -6.836
ATOM   1444  OE2 GLU    97      19.920  -0.380  -7.142
ATOM   1445  C   GLU    97      20.522  -5.161  -4.074
ATOM   1446  O   GLU    97      19.985  -5.449  -3.004
ATOM   1447  N   ASP    98      21.839  -5.168  -4.247
ATOM   1448  HN  ASP    98      22.218  -4.921  -5.150
ATOM   1449  CA  ASP    98      22.751  -5.523  -3.165
ATOM   1450  HA  ASP    98      22.179  -5.668  -2.272
ATOM   1451  CB  ASP    98      23.481  -6.826  -3.492
ATOM   1452 2HB  ASP    98      24.342  -6.598  -4.090
ATOM   1453 3HB  ASP    98      23.794  -7.285  -2.574
ATOM   1454  CG  ASP    98      22.607  -7.805  -4.252
ATOM   1455  OD1 ASP    98      22.483  -7.656  -5.486
ATOM   1456  OD2 ASP    98      22.049  -8.720  -3.612
ATOM   1457  C   ASP    98      23.761  -4.407  -2.918
ATOM   1458  O   ASP    98      24.906  -4.483  -3.364
ATOM   1459  N   TRP    99      23.329  -3.372  -2.206
ATOM   1460  HN  TRP    99      22.377  -3.369  -1.868
ATOM   1461  CA  TRP    99      24.196  -2.240  -1.901
ATOM   1462  HA  TRP    99      24.629  -1.887  -2.814
ATOM   1463  CB  TRP    99      23.384  -1.103  -1.276
ATOM   1464 2HB  TRP    99      23.063  -1.411  -0.300
ATOM   1465 3HB  TRP    99      24.017  -0.241  -1.189
ATOM   1466  CG  TRP    99      22.175  -0.727  -2.078
ATOM   1467  CD1 TRP    99      21.965  -0.967  -3.406
ATOM   1468  HD1 TRP    99      22.662  -1.474  -4.064
ATOM   1469  NE1 TRP    99      20.741  -0.472  -3.785
ATOM   1470  HE1 TRP    99      20.351  -0.521  -4.715
ATOM   1471  CE2 TRP    99      20.135   0.099  -2.697
ATOM   1472  CZ2 TRP    99      18.897   0.726  -2.583
ATOM   1473  HZ2 TRP    99      18.237   0.826  -3.437
ATOM   1474  CH2 TRP    99      18.543   1.212  -1.354
ATOM   1475  HH2 TRP    99      17.585   1.704  -1.233
ATOM   1476  CZ3 TRP    99      19.394   1.086  -0.248
ATOM   1477  HZ3 TRP    99      19.083   1.483   0.712
ATOM   1478  CE3 TRP    99      20.623   0.464  -0.360
ATOM   1479  HE3 TRP    99      21.274   0.370   0.501
ATOM   1480  CD2 TRP    99      21.011  -0.042  -1.603
ATOM   1481  C   TRP    99      25.321  -2.654  -0.959
ATOM   1482  O   TRP    99      25.072  -3.138   0.144
ATOM   1483  N   GLN   100      26.559  -2.461  -1.403
ATOM   1484  HN  GLN   100      26.697  -2.059  -2.319
ATOM   1485  CA  GLN   100      27.722  -2.816  -0.598
ATOM   1486  HA  GLN   100      27.403  -3.456   0.198
ATOM   1487  CB  GLN   100      28.746  -3.570  -1.448
ATOM   1488 2HB  GLN   100      29.676  -3.597  -0.914
ATOM   1489 3HB  GLN   100      28.391  -4.571  -1.598
ATOM   1490  CG  GLN   100      28.991  -2.938  -2.809
ATOM   1491 2HG  GLN   100      28.910  -1.872  -2.713
ATOM   1492 3HG  GLN   100      29.981  -3.194  -3.133
ATOM   1493  CD  GLN   100      28.001  -3.407  -3.857
ATOM   1494  OE1 GLN   100      27.076  -2.680  -4.222
ATOM   1495  NE2 GLN   100      28.190  -4.626  -4.347
ATOM   1496 1HE2 GLN   100      27.562  -4.991  -5.048
ATOM   1497 2HE2 GLN   100      28.962  -5.188  -4.019
ATOM   1498  C   GLN   100      28.365  -1.572   0.008
ATOM   1499  O   GLN   100      29.500  -1.225  -0.320
ATOM   1500  N   LEU   101      27.632  -0.906   0.893
ATOM   1501  HN  LEU   101      26.707  -1.243   1.120
ATOM   1502  CA  LEU   101      28.130   0.300   1.545
ATOM   1503  HA  LEU   101      28.349   1.028   0.792
ATOM   1504  CB  LEU   101      27.066   0.874   2.483
ATOM   1505 2HB  LEU   101      26.634   0.057   3.028
ATOM   1506 3HB  LEU   101      27.556   1.541   3.166
ATOM   1507  CG  LEU   101      25.927   1.644   1.813
ATOM   1508  HG  LEU   101      25.317   2.076   2.578
ATOM   1509  CD1 LEU   101      26.477   2.767   0.948
ATOM   1510 1HD1 LEU   101      27.058   3.462   1.574
ATOM   1511 2HD1 LEU   101      27.129   2.344   0.168
ATOM   1512 3HD1 LEU   101      25.643   3.308   0.475
ATOM   1513  CD2 LEU   101      25.063   0.704   0.985
ATOM   1514 1HD2 LEU   101      25.680   0.229   0.207
ATOM   1515 2HD2 LEU   101      24.634  -0.072   1.638
ATOM   1516 3HD2 LEU   101      24.250   1.275   0.511
ATOM   1517  C   LEU   101      29.408   0.009   2.326
ATOM   1518  O   LEU   101      29.957  -1.089   2.248
ATOM   1519  N   GLU   102      29.874   1.000   3.080
ATOM   1520  HN  GLU   102      29.377   1.879   3.102
ATOM   1521  CA  GLU   102      31.086   0.848   3.876
ATOM   1522  HA  GLU   102      31.916   0.722   3.212
ATOM   1523  CB  GLU   102      31.326   2.099   4.724
ATOM   1524 2HB  GLU   102      30.381   2.441   5.099
ATOM   1525 3HB  GLU   102      31.962   1.834   5.547
ATOM   1526  CG  GLU   102      31.980   3.237   3.958
ATOM   1527 2HG  GLU   102      32.610   2.821   3.195
ATOM   1528 3HG  GLU   102      31.211   3.831   3.502
ATOM   1529  CD  GLU   102      32.821   4.131   4.848
ATOM   1530  OE1 GLU   102      33.425   3.611   5.810
ATOM   1531  OE2 GLU   102      32.877   5.350   4.583
ATOM   1532  C   GLU   102      30.995  -0.380   4.777
ATOM   1533  O   GLU   102      29.995  -1.098   4.766
ATOM   1534  N   ASP   103      32.047  -0.616   5.554
ATOM   1535  HN  ASP   103      32.838   0.010   5.515
ATOM   1536  CA  ASP   103      32.087  -1.756   6.461
ATOM   1537  HA  ASP   103      31.114  -2.200   6.492
ATOM   1538  CB  ASP   103      33.083  -2.802   5.956
ATOM   1539 2HB  ASP   103      34.009  -2.312   5.723
ATOM   1540 3HB  ASP   103      33.246  -3.525   6.732
ATOM   1541  CG  ASP   103      32.588  -3.521   4.717
ATOM   1542  OD1 ASP   103      31.361  -3.720   4.595
ATOM   1543  OD2 ASP   103      33.428  -3.885   3.867
ATOM   1544  C   ASP   103      32.465  -1.316   7.872
ATOM   1545  O   ASP   103      33.551  -1.610   8.370
ATOM   1546  N   PRO   104      31.548  -0.592   8.531
ATOM   1547  CD  PRO   104      30.232  -0.203   7.998
ATOM   1548 2HD  PRO   104      29.716  -1.052   7.592
ATOM   1549 3HD  PRO   104      30.332   0.551   7.241
ATOM   1550  CG  PRO   104      29.514   0.337   9.204
ATOM   1551 2HG  PRO   104      28.948  -0.440   9.680
ATOM   1552 3HG  PRO   104      28.856   1.135   8.920
ATOM   1553  CB  PRO   104      30.574   0.842  10.121
ATOM   1554 2HB  PRO   104      30.246   0.795  11.141
ATOM   1555 3HB  PRO   104      30.836   1.853   9.876
ATOM   1556  CA  PRO   104      31.763  -0.094   9.893
ATOM   1557  HA  PRO   104      32.680   0.455   9.944
ATOM   1558  C   PRO   104      31.764  -1.216  10.927
ATOM   1559  O   PRO   104      30.886  -1.279  11.788
ATOM   1560  N   ASP   105      32.753  -2.097  10.835
ATOM   1561  HN  ASP   105      33.442  -1.990  10.104
ATOM   1562  CA  ASP   105      32.868  -3.216  11.764
ATOM   1563  HA  ASP   105      31.891  -3.619  11.934
ATOM   1564  CB  ASP   105      33.750  -4.314  11.166
ATOM   1565 2HB  ASP   105      33.994  -5.018  11.938
ATOM   1566 3HB  ASP   105      33.202  -4.811  10.389
ATOM   1567  CG  ASP   105      35.037  -3.767  10.581
ATOM   1568  OD1 ASP   105      35.059  -3.472   9.367
ATOM   1569  OD2 ASP   105      36.023  -3.634  11.336
ATOM   1570  C   ASP   105      33.443  -2.756  13.100
ATOM   1571  O   ASP   105      34.602  -3.021  13.413
ATOM   1572  N   GLY   106      32.622  -2.064  13.884
ATOM   1573  HN  GLY   106      31.679  -1.875  13.576
ATOM   1574  CA  GLY   106      33.066  -1.577  15.177
ATOM   1575 2HA  GLY   106      32.206  -1.408  15.795
ATOM   1576 3HA  GLY   106      33.691  -2.323  15.630
ATOM   1577  C   GLY   106      33.850  -0.284  15.071
ATOM   1578  O   GLY   106      34.534   0.113  16.015
ATOM   1579  N   GLN   107      33.753   0.373  13.920
ATOM   1580  HN  GLN   107      33.174  -0.005  13.184
ATOM   1581  CA  GLN   107      34.462   1.627  13.694
ATOM   1582  HA  GLN   107      35.513   1.444  13.778
ATOM   1583  CB  GLN   107      34.171   2.156  12.289
ATOM   1584 2HB  GLN   107      33.162   1.898  12.032
ATOM   1585 3HB  GLN   107      34.275   3.224  12.300
ATOM   1586  CG  GLN   107      35.098   1.593  11.223
ATOM   1587 2HG  GLN   107      35.867   1.020  11.704
ATOM   1588 3HG  GLN   107      34.529   0.955  10.575
ATOM   1589  CD  GLN   107      35.751   2.675  10.387
ATOM   1590  OE1 GLN   107      36.561   3.457  10.886
ATOM   1591  NE2 GLN   107      35.402   2.726   9.107
ATOM   1592 1HE2 GLN   107      35.805   3.426   8.501
ATOM   1593 2HE2 GLN   107      34.733   2.064   8.739
ATOM   1594  C   GLN   107      34.066   2.670  14.734
ATOM   1595  O   GLN   107      33.318   2.378  15.667
ATOM   1596  N   SER   108      34.574   3.887  14.567
ATOM   1597  HN  SER   108      35.180   4.064  13.779
ATOM   1598  CA  SER   108      34.277   4.973  15.494
ATOM   1599  HA  SER   108      34.180   4.564  16.478
ATOM   1600  CB  SER   108      35.417   5.993  15.501
ATOM   1601 2HB  SER   108      36.059   5.807  14.661
ATOM   1602 3HB  SER   108      35.004   6.980  15.424
ATOM   1603  OG  SER   108      36.177   5.901  16.693
ATOM   1604  HG  SER   108      36.884   6.550  16.672
ATOM   1605  C   SER   108      32.967   5.661  15.123
ATOM   1606  O   SER   108      32.492   5.551  13.992
ATOM   1607  N   LEU   109      32.386   6.372  16.084
ATOM   1608  HN  LEU   109      32.825   6.424  16.992
ATOM   1609  CA  LEU   109      31.130   7.079  15.860
ATOM   1610  HA  LEU   109      30.351   6.357  15.732
ATOM   1611  CB  LEU   109      30.791   7.953  17.069
ATOM   1612 2HB  LEU   109      31.558   8.697  17.162
ATOM   1613 3HB  LEU   109      29.850   8.431  16.875
ATOM   1614  CG  LEU   109      30.679   7.227  18.410
ATOM   1615  HG  LEU   109      31.648   7.203  18.862
ATOM   1616  CD1 LEU   109      29.734   7.970  19.342
ATOM   1617 1HD1 LEU   109      30.116   8.987  19.517
ATOM   1618 2HD1 LEU   109      28.735   8.027  18.882
ATOM   1619 3HD1 LEU   109      29.667   7.433  20.301
ATOM   1620  CD2 LEU   109      30.210   5.794  18.204
ATOM   1621 1HD2 LEU   109      29.223   5.797  17.716
ATOM   1622 2HD2 LEU   109      30.932   5.259  17.568
ATOM   1623 3HD2 LEU   109      30.136   5.288  19.179
ATOM   1624  C   LEU   109      31.206   7.939  14.602
ATOM   1625  O   LEU   109      30.197   8.175  13.938
ATOM   1626  N   GLU   110      32.410   8.404  14.281
ATOM   1627  HN  GLU   110      33.200   8.175  14.868
ATOM   1628  CA  GLU   110      32.617   9.236  13.102
ATOM   1629  HA  GLU   110      32.025  10.122  13.203
ATOM   1630  CB  GLU   110      34.087   9.644  12.990
ATOM   1631 2HB  GLU   110      34.690   8.849  13.384
ATOM   1632 3HB  GLU   110      34.320   9.789  11.953
ATOM   1633  CG  GLU   110      34.425  10.920  13.741
ATOM   1634 2HG  GLU   110      33.624  11.621  13.606
ATOM   1635 3HG  GLU   110      34.525  10.688  14.784
ATOM   1636  CD  GLU   110      35.714  11.558  13.260
ATOM   1637  OE1 GLU   110      35.642  12.624  12.614
ATOM   1638  OE2 GLU   110      36.793  10.991  13.529
ATOM   1639  C   GLU   110      32.182   8.504  11.836
ATOM   1640  O   GLU   110      31.621   9.105  10.919
ATOM   1641  N   VAL   111      32.446   7.202  11.792
ATOM   1642  HN  VAL   111      32.909   6.767  12.577
ATOM   1643  CA  VAL   111      32.083   6.387  10.639
ATOM   1644  HA  VAL   111      32.250   6.962   9.752
ATOM   1645  CB  VAL   111      32.942   5.111  10.560
ATOM   1646  HB  VAL   111      32.643   4.455  11.351
ATOM   1647  CG1 VAL   111      32.717   4.396   9.237
ATOM   1648 1HG1 VAL   111      31.656   4.118   9.146
ATOM   1649 2HG1 VAL   111      32.994   5.064   8.407
ATOM   1650 3HG1 VAL   111      33.339   3.488   9.200
ATOM   1651  CG2 VAL   111      34.413   5.448  10.751
ATOM   1652 1HG2 VAL   111      34.735   6.146   9.963
ATOM   1653 2HG2 VAL   111      34.557   5.916  11.737
ATOM   1654 3HG2 VAL   111      35.011   4.526  10.692
ATOM   1655  C   VAL   111      30.611   5.993  10.687
ATOM   1656  O   VAL   111      29.893   6.110   9.693
ATOM   1657  N   PHE   112      30.167   5.526  11.849
ATOM   1658  HN  PHE   112      30.806   5.455  12.628
ATOM   1659  CA  PHE   112      28.779   5.114  12.027
ATOM   1660  HA  PHE   112      28.634   4.181  11.524
ATOM   1661  CB  PHE   112      28.470   4.919  13.513
ATOM   1662 2HB  PHE   112      29.151   5.521  14.083
ATOM   1663 3HB  PHE   112      27.464   5.245  13.696
ATOM   1664  CG  PHE   112      28.598   3.494  13.970
ATOM   1665  CD1 PHE   112      29.844   2.942  14.219
ATOM   1666  HD1 PHE   112      30.734   3.545  14.081
ATOM   1667  CE1 PHE   112      29.966   1.631  14.641
ATOM   1668  HE1 PHE   112      30.947   1.212  14.833
ATOM   1669  CZ  PHE   112      28.836   0.857  14.817
ATOM   1670  HZ  PHE   112      28.928  -0.172  15.146
ATOM   1671  CE2 PHE   112      27.588   1.396  14.573
ATOM   1672  HE2 PHE   112      26.700   0.791  14.712
ATOM   1673  CD2 PHE   112      27.472   2.707  14.151
ATOM   1674  HD2 PHE   112      26.490   3.124  13.960
ATOM   1675  C   PHE   112      27.825   6.142  11.427
ATOM   1676  O   PHE   112      26.885   5.791  10.714
ATOM   1677  N   ARG   113      28.074   7.414  11.723
ATOM   1678  HN  ARG   113      28.862   7.638  12.314
ATOM   1679  CA  ARG   113      27.236   8.494  11.215
ATOM   1680  HA  ARG   113      26.210   8.208  11.320
ATOM   1681  CB  ARG   113      27.471   9.772  12.023
ATOM   1682 2HB  ARG   113      27.012  10.591  11.503
ATOM   1683 3HB  ARG   113      27.010   9.655  12.985
ATOM   1684  CG  ARG   113      28.940  10.099  12.232
ATOM   1685 2HG  ARG   113      29.152  10.096  13.284
ATOM   1686 3HG  ARG   113      29.536   9.351  11.745
ATOM   1687  CD  ARG   113      29.294  11.463  11.660
ATOM   1688 2HD  ARG   113      30.295  11.713  11.955
ATOM   1689 3HD  ARG   113      29.238  11.415  10.590
ATOM   1690  NE  ARG   113      28.389  12.507  12.133
ATOM   1691  HE  ARG   113      27.599  12.233  12.699
ATOM   1692  CZ  ARG   113      28.548  13.797  11.859
ATOM   1693  NH1 ARG   113      29.572  14.200  11.120
ATOM   1694 1HH1 ARG   113      30.234  13.525  10.763
ATOM   1695 2HH1 ARG   113      29.691  15.182  10.914
ATOM   1696  NH2 ARG   113      27.682  14.687  12.326
ATOM   1697 1HH2 ARG   113      26.901  14.384  12.890
ATOM   1698 2HH2 ARG   113      27.804  15.668  12.118
ATOM   1699  C   ARG   113      27.519   8.753   9.739
ATOM   1700  O   ARG   113      26.604   9.000   8.953
ATOM   1701  N   THR   114      28.795   8.696   9.367
ATOM   1702  HN  THR   114      29.501   8.488  10.059
ATOM   1703  CA  THR   114      29.199   8.927   7.986
ATOM   1704  HA  THR   114      28.912   9.921   7.711
ATOM   1705  CB  THR   114      30.725   8.797   7.818
ATOM   1706  HB  THR   114      31.043   7.877   8.263
ATOM   1707  CG2 THR   114      31.109   8.787   6.346
ATOM   1708 1HG2 THR   114      30.624   7.935   5.846
ATOM   1709 2HG2 THR   114      30.779   9.726   5.874
ATOM   1710 3HG2 THR   114      32.202   8.693   6.253
ATOM   1711  OG1 THR   114      31.384   9.881   8.481
ATOM   1712 1HG  THR   114      32.334   9.793   8.372
ATOM   1713  C   THR   114      28.511   7.948   7.041
ATOM   1714  O   THR   114      27.935   8.348   6.029
ATOM   1715  N   VAL   115      28.573   6.664   7.378
ATOM   1716  HN  VAL   115      29.061   6.399   8.222
ATOM   1717  CA  VAL   115      27.954   5.628   6.560
ATOM   1718  HA  VAL   115      28.488   5.563   5.635
ATOM   1719  CB  VAL   115      28.014   4.254   7.254
ATOM   1720  HB  VAL   115      27.426   4.303   8.147
ATOM   1721  CG1 VAL   115      27.429   3.176   6.355
ATOM   1722 1HG1 VAL   115      26.379   3.417   6.129
ATOM   1723 2HG1 VAL   115      28.004   3.128   5.417
ATOM   1724 3HG1 VAL   115      27.481   2.203   6.867
ATOM   1725  CG2 VAL   115      29.445   3.917   7.643
ATOM   1726 1HG2 VAL   115      30.074   3.890   6.740
ATOM   1727 2HG2 VAL   115      29.828   4.684   8.334
ATOM   1728 3HG2 VAL   115      29.469   2.933   8.137
ATOM   1729  C   VAL   115      26.499   5.967   6.253
ATOM   1730  O   VAL   115      26.015   5.722   5.148
ATOM   1731  N   ARG   116      25.808   6.531   7.237
ATOM   1732  HN  ARG   116      26.264   6.707   8.121
ATOM   1733  CA  ARG   116      24.408   6.903   7.073
ATOM   1734  HA  ARG   116      23.821   6.010   7.031
ATOM   1735  CB  ARG   116      23.937   7.740   8.264
ATOM   1736 2HB  ARG   116      22.940   7.437   8.518
ATOM   1737 3HB  ARG   116      24.591   7.549   9.093
ATOM   1738  CG  ARG   116      23.930   9.235   7.993
ATOM   1739 2HG  ARG   116      24.863   9.512   7.542
ATOM   1740 3HG  ARG   116      23.126   9.464   7.320
ATOM   1741  CD  ARG   116      23.744  10.033   9.274
ATOM   1742 2HD  ARG   116      22.832   9.723   9.746
ATOM   1743 3HD  ARG   116      24.571   9.835   9.929
ATOM   1744  NE  ARG   116      23.678  11.469   9.020
ATOM   1745  HE  ARG   116      22.767  11.900   8.948
ATOM   1746  CZ  ARG   116      24.751  12.240   8.878
ATOM   1747  NH1 ARG   116      25.965  11.714   8.965
ATOM   1748 1HH1 ARG   116      26.076  10.725   9.139
ATOM   1749 2HH1 ARG   116      26.779  12.302   8.857
ATOM   1750  NH2 ARG   116      24.610  13.539   8.649
ATOM   1751 1HH2 ARG   116      23.687  13.943   8.582
ATOM   1752 2HH2 ARG   116      25.426  14.124   8.541
ATOM   1753  C   ARG   116      24.202   7.682   5.777
ATOM   1754  O   ARG   116      23.217   7.477   5.068
ATOM   1755  N   GLY   117      25.137   8.577   5.475
ATOM   1756  HN  GLY   117      25.925   8.704   6.094
ATOM   1757  CA  GLY   117      25.039   9.374   4.266
ATOM   1758 2HA  GLY   117      24.148   9.970   4.318
ATOM   1759 3HA  GLY   117      25.896  10.017   4.207
ATOM   1760  C   GLY   117      24.983   8.522   3.013
ATOM   1761  O   GLY   117      24.057   8.646   2.212
ATOM   1762  N   GLN   118      25.977   7.656   2.843
ATOM   1763  HN  GLN   118      26.708   7.602   3.538
ATOM   1764  CA  GLN   118      26.037   6.782   1.678
ATOM   1765  HA  GLN   118      26.208   7.384   0.810
ATOM   1766  CB  GLN   118      27.193   5.790   1.817
ATOM   1767 2HB  GLN   118      26.837   4.925   2.342
ATOM   1768 3HB  GLN   118      27.515   5.504   0.834
ATOM   1769  CG  GLN   118      28.389   6.351   2.570
ATOM   1770 2HG  GLN   118      28.566   7.355   2.235
ATOM   1771 3HG  GLN   118      28.162   6.359   3.619
ATOM   1772  CD  GLN   118      29.649   5.537   2.353
ATOM   1773  OE1 GLN   118      29.592   4.387   1.916
ATOM   1774  NE2 GLN   118      30.797   6.130   2.658
ATOM   1775 1HE2 GLN   118      31.669   5.636   2.534
ATOM   1776 2HE2 GLN   118      30.798   7.075   3.014
ATOM   1777  C   GLN   118      24.724   6.029   1.493
ATOM   1778  O   GLN   118      24.217   5.908   0.378
ATOM   1779  N   VAL   119      24.178   5.523   2.595
ATOM   1780  HN  VAL   119      24.644   5.655   3.481
ATOM   1781  CA  VAL   119      22.923   4.782   2.555
ATOM   1782  HA  VAL   119      23.017   3.998   1.833
ATOM   1783  CB  VAL   119      22.601   4.149   3.922
ATOM   1784  HB  VAL   119      22.603   4.924   4.659
ATOM   1785  CG1 VAL   119      21.221   3.512   3.904
ATOM   1786 1HG1 VAL   119      20.465   4.280   3.679
ATOM   1787 2HG1 VAL   119      21.189   2.728   3.131
ATOM   1788 3HG1 VAL   119      21.010   3.066   4.888
ATOM   1789  CG2 VAL   119      23.664   3.129   4.300
ATOM   1790 1HG2 VAL   119      23.699   2.335   3.538
ATOM   1791 2HG2 VAL   119      24.645   3.626   4.358
ATOM   1792 3HG2 VAL   119      23.418   2.688   5.278
ATOM   1793  C   VAL   119      21.766   5.682   2.139
ATOM   1794  O   VAL   119      20.823   5.238   1.484
ATOM   1795  N   LYS   120      21.844   6.952   2.523
ATOM   1796  HN  LYS   120      22.644   7.256   3.060
ATOM   1797  CA  LYS   120      20.804   7.918   2.188
ATOM   1798  HA  LYS   120      19.882   7.588   2.619
ATOM   1799  CB  LYS   120      21.149   9.292   2.768
ATOM   1800 2HB  LYS   120      22.106   9.591   2.386
ATOM   1801 3HB  LYS   120      20.402   9.993   2.449
ATOM   1802  CG  LYS   120      21.210   9.313   4.286
ATOM   1803 2HG  LYS   120      21.045   8.319   4.655
ATOM   1804 3HG  LYS   120      22.182   9.651   4.591
ATOM   1805  CD  LYS   120      20.158  10.239   4.873
ATOM   1806 2HD  LYS   120      20.166  10.143   5.942
ATOM   1807 3HD  LYS   120      20.394  11.250   4.603
ATOM   1808  CE  LYS   120      18.768   9.901   4.357
ATOM   1809 2HE  LYS   120      18.683  10.239   3.342
ATOM   1810 3HE  LYS   120      18.634   8.837   4.392
ATOM   1811  NZ  LYS   120      17.702  10.547   5.171
ATOM   1812 1HZ  LYS   120      17.770  10.229   6.131
ATOM   1813 2HZ  LYS   120      17.816  11.554   5.140
ATOM   1814 3HZ  LYS   120      16.793  10.298   4.796
ATOM   1815  C   LYS   120      20.624   8.023   0.677
ATOM   1816  O   LYS   120      19.502   7.983   0.173
ATOM   1817  N   GLU   121      21.736   8.156  -0.039
ATOM   1818  HN  GLU   121      22.627   8.181   0.435
ATOM   1819  CA  GLU   121      21.700   8.266  -1.492
ATOM   1820  HA  GLU   121      21.079   9.096  -1.755
ATOM   1821  CB  GLU   121      23.105   8.517  -2.042
ATOM   1822 2HB  GLU   121      23.763   7.768  -1.646
ATOM   1823 3HB  GLU   121      23.070   8.433  -3.111
ATOM   1824  CG  GLU   121      23.664   9.884  -1.685
ATOM   1825 2HG  GLU   121      22.874  10.607  -1.754
ATOM   1826 3HG  GLU   121      24.032   9.852  -0.678
ATOM   1827  CD  GLU   121      24.794  10.310  -2.602
ATOM   1828  OE1 GLU   121      24.510  10.678  -3.761
ATOM   1829  OE2 GLU   121      25.962  10.276  -2.161
ATOM   1830  C   GLU   121      21.114   7.004  -2.119
ATOM   1831  O   GLU   121      20.200   7.073  -2.941
ATOM   1832  N   ARG   122      21.647   5.852  -1.724
ATOM   1833  HN  ARG   122      22.395   5.862  -1.045
ATOM   1834  CA  ARG   122      21.179   4.575  -2.247
ATOM   1835  HA  ARG   122      21.309   4.574  -3.309
ATOM   1836  CB  ARG   122      21.998   3.426  -1.656
ATOM   1837 2HB  ARG   122      22.257   3.679  -0.646
ATOM   1838 3HB  ARG   122      21.391   2.541  -1.659
ATOM   1839  CG  ARG   122      23.278   3.133  -2.421
ATOM   1840 2HG  ARG   122      23.419   2.070  -2.471
ATOM   1841 3HG  ARG   122      23.189   3.529  -3.414
ATOM   1842  CD  ARG   122      24.487   3.760  -1.746
ATOM   1843 2HD  ARG   122      24.301   4.808  -1.607
ATOM   1844 3HD  ARG   122      24.632   3.292  -0.791
ATOM   1845  NE  ARG   122      25.703   3.598  -2.540
ATOM   1846  HE  ARG   122      26.094   4.415  -2.987
ATOM   1847  CZ  ARG   122      26.322   2.435  -2.706
ATOM   1848  NH1 ARG   122      25.843   1.338  -2.138
ATOM   1849 1HH1 ARG   122      25.005   1.385  -1.577
ATOM   1850 2HH1 ARG   122      26.316   0.455  -2.266
ATOM   1851  NH2 ARG   122      27.424   2.369  -3.443
ATOM   1852 1HH2 ARG   122      27.792   3.203  -3.877
ATOM   1853 2HH2 ARG   122      27.895   1.484  -3.569
ATOM   1854  C   ARG   122      19.699   4.370  -1.939
ATOM   1855  O   ARG   122      18.919   3.988  -2.811
ATOM   1856  N   VAL   123      19.319   4.626  -0.691
ATOM   1857  HN  VAL   123      20.008   4.936  -0.020
ATOM   1858  CA  VAL   123      17.933   4.471  -0.266
ATOM   1859  HA  VAL   123      17.637   3.458  -0.442
ATOM   1860  CB  VAL   123      17.768   4.771   1.235
ATOM   1861  HB  VAL   123      18.404   5.595   1.484
ATOM   1862  CG1 VAL   123      16.333   5.165   1.547
ATOM   1863 1HG1 VAL   123      16.066   6.065   0.972
ATOM   1864 2HG1 VAL   123      15.658   4.340   1.272
ATOM   1865 3HG1 VAL   123      16.236   5.375   2.623
ATOM   1866  CG2 VAL   123      18.194   3.571   2.068
ATOM   1867 1HG2 VAL   123      17.570   2.702   1.806
ATOM   1868 2HG2 VAL   123      19.251   3.339   1.864
ATOM   1869 3HG2 VAL   123      18.069   3.803   3.137
ATOM   1870  C   VAL   123      17.009   5.387  -1.061
ATOM   1871  O   VAL   123      15.944   4.968  -1.515
ATOM   1872  N   GLU   124      17.424   6.639  -1.225
ATOM   1873  HN  GLU   124      18.308   6.922  -0.827
ATOM   1874  CA  GLU   124      16.632   7.614  -1.966
ATOM   1875  HA  GLU   124      15.688   7.729  -1.476
ATOM   1876  CB  GLU   124      17.340   8.971  -1.983
ATOM   1877 2HB  GLU   124      17.902   9.072  -1.074
ATOM   1878 3HB  GLU   124      18.009   8.994  -2.821
ATOM   1879  CG  GLU   124      16.390  10.152  -2.094
ATOM   1880 2HG  GLU   124      15.417   9.787  -2.359
ATOM   1881 3HG  GLU   124      16.340  10.644  -1.142
ATOM   1882  CD  GLU   124      16.832  11.159  -3.138
ATOM   1883  OE1 GLU   124      18.056  11.323  -3.323
ATOM   1884  OE2 GLU   124      15.954  11.784  -3.769
ATOM   1885  C   GLU   124      16.383   7.141  -3.394
ATOM   1886  O   GLU   124      15.283   7.290  -3.926
ATOM   1887  N   ASN   125      17.412   6.570  -4.011
ATOM   1888  HN  ASN   125      18.290   6.476  -3.520
ATOM   1889  CA  ASN   125      17.306   6.075  -5.379
ATOM   1890  HA  ASN   125      17.037   6.891  -6.016
ATOM   1891  CB  ASN   125      18.650   5.515  -5.847
ATOM   1892 2HB  ASN   125      19.165   5.103  -5.001
ATOM   1893 3HB  ASN   125      18.469   4.740  -6.567
ATOM   1894  CG  ASN   125      19.528   6.576  -6.483
ATOM   1895  OD1 ASN   125      19.679   6.622  -7.704
ATOM   1896  ND2 ASN   125      20.113   7.434  -5.655
ATOM   1897 1HD2 ASN   125      20.710   8.162  -6.021
ATOM   1898 2HD2 ASN   125      19.961   7.358  -4.659
ATOM   1899  C   ASN   125      16.229   4.999  -5.486
ATOM   1900  O   ASN   125      15.339   5.077  -6.334
ATOM   1901  N   LEU   126      16.316   3.995  -4.620
ATOM   1902  HN  LEU   126      17.070   3.988  -3.948
ATOM   1903  CA  LEU   126      15.350   2.902  -4.616
ATOM   1904  HA  LEU   126      15.412   2.389  -5.553
ATOM   1905  CB  LEU   126      15.674   1.912  -3.496
ATOM   1906 2HB  LEU   126      16.219   1.095  -3.928
ATOM   1907 3HB  LEU   126      16.295   2.417  -2.781
ATOM   1908  CG  LEU   126      14.476   1.330  -2.746
ATOM   1909  HG  LEU   126      13.622   1.374  -3.389
ATOM   1910  CD1 LEU   126      14.728  -0.125  -2.383
ATOM   1911 1HD1 LEU   126      14.892  -0.709  -3.302
ATOM   1912 2HD1 LEU   126      15.619  -0.194  -1.740
ATOM   1913 3HD1 LEU   126      13.855  -0.525  -1.844
ATOM   1914  CD2 LEU   126      14.179   2.149  -1.498
ATOM   1915 1HD2 LEU   126      15.057   2.137  -0.834
ATOM   1916 2HD2 LEU   126      13.951   3.187  -1.786
ATOM   1917 3HD2 LEU   126      13.315   1.716  -0.972
ATOM   1918  C   LEU   126      13.930   3.432  -4.445
ATOM   1919  O   LEU   126      13.008   3.002  -5.140
ATOM   1920  N   ILE   127      13.761   4.370  -3.519
ATOM   1921  HN  ILE   127      14.558   4.681  -2.982
ATOM   1922  CA  ILE   127      12.454   4.961  -3.260
ATOM   1923  HA  ILE   127      11.767   4.174  -3.030
ATOM   1924  CB  ILE   127      12.501   5.930  -2.064
ATOM   1925  HB  ILE   127      13.429   6.462  -2.095
ATOM   1926  CG2 ILE   127      11.365   6.938  -2.154
ATOM   1927 1HG2 ILE   127      11.459   7.515  -3.087
ATOM   1928 2HG2 ILE   127      10.401   6.406  -2.147
ATOM   1929 3HG2 ILE   127      11.413   7.622  -1.293
ATOM   1930  CG1 ILE   127      12.430   5.154  -0.748
ATOM   1931 2HG1 ILE   127      11.450   5.284  -0.330
ATOM   1932 3HG1 ILE   127      12.594   4.115  -0.958
ATOM   1933  CD1 ILE   127      13.450   5.603   0.275
ATOM   1934 1HD1 ILE   127      14.463   5.467  -0.133
ATOM   1935 2HD1 ILE   127      13.289   6.666   0.511
ATOM   1936 3HD1 ILE   127      13.339   5.003   1.191
ATOM   1937  C   ILE   127      11.936   5.708  -4.485
ATOM   1938  O   ILE   127      10.748   5.655  -4.800
ATOM   1939  N   ALA   128      12.837   6.402  -5.173
ATOM   1940  HN  ALA   128      13.798   6.407  -4.862
ATOM   1941  CA  ALA   128      12.472   7.156  -6.365
ATOM   1942  HA  ALA   128      11.638   7.782  -6.125
ATOM   1943  CB  ALA   128      13.627   8.044  -6.802
ATOM   1944 1HB  ALA   128      13.875   8.748  -5.993
ATOM   1945 2HB  ALA   128      14.505   7.419  -7.027
ATOM   1946 3HB  ALA   128      13.337   8.607  -7.703
ATOM   1947  C   ALA   128      12.060   6.224  -7.500
ATOM   1948  O   ALA   128      11.269   6.595  -8.367
ATOM   1949  N   LYS   129      12.602   5.011  -7.489
ATOM   1950  HN  LYS   129      13.245   4.766  -6.750
ATOM   1951  CA  LYS   129      12.292   4.024  -8.516
ATOM   1952  HA  LYS   129      12.381   4.491  -9.475
ATOM   1953  CB  LYS   129      13.281   2.858  -8.449
ATOM   1954 2HB  LYS   129      13.286   2.474  -7.447
ATOM   1955 3HB  LYS   129      12.949   2.092  -9.124
ATOM   1956  CG  LYS   129      14.702   3.244  -8.822
ATOM   1957 2HG  LYS   129      14.758   3.383  -9.884
ATOM   1958 3HG  LYS   129      14.955   4.162  -8.328
ATOM   1959  CD  LYS   129      15.697   2.171  -8.411
ATOM   1960 2HD  LYS   129      16.669   2.615  -8.313
ATOM   1961 3HD  LYS   129      15.396   1.759  -7.467
ATOM   1962  CE  LYS   129      15.766   1.052  -9.440
ATOM   1963 2HE  LYS   129      15.753   0.109  -8.929
ATOM   1964 3HE  LYS   129      14.911   1.120 -10.085
ATOM   1965  NZ  LYS   129      17.002   1.135 -10.267
ATOM   1966 1HZ  LYS   129      17.020   2.021 -10.759
ATOM   1967 2HZ  LYS   129      17.816   1.065  -9.666
ATOM   1968 3HZ  LYS   129      17.011   0.375 -10.938
ATOM   1969  C   LYS   129      10.866   3.505  -8.359
ATOM   1970  O   LYS   129      10.126   3.389  -9.336
ATOM   1971  N   ILE   130      10.488   3.194  -7.123
ATOM   1972  HN  ILE   130      11.143   3.310  -6.363
ATOM   1973  CA  ILE   130       9.150   2.690  -6.839
ATOM   1974  HA  ILE   130       8.782   2.196  -7.714
ATOM   1975  CB  ILE   130       9.165   1.677  -5.679
ATOM   1976  HB  ILE   130       8.323   1.871  -5.048
ATOM   1977  CG2 ILE   130       9.049   0.257  -6.215
ATOM   1978 1HG2 ILE   130       8.105   0.151  -6.772
ATOM   1979 2HG2 ILE   130       9.897   0.048  -6.886
ATOM   1980 3HG2 ILE   130       9.061  -0.455  -5.375
ATOM   1981  CG1 ILE   130      10.441   1.836  -4.850
ATOM   1982 2HG1 ILE   130      11.278   1.552  -5.458
ATOM   1983 3HG1 ILE   130      10.537   2.867  -4.569
ATOM   1984  CD1 ILE   130      10.455   0.994  -3.594
ATOM   1985 1HD1 ILE   130       9.608   1.279  -2.952
ATOM   1986 2HD1 ILE   130      10.369  -0.070  -3.864
ATOM   1987 3HD1 ILE   130      11.399   1.160  -3.052
ATOM   1988  C   ILE   130       8.196   3.828  -6.492
ATOM   1989  O   ILE   130       7.272   4.129  -7.247
ATOM   1990  N   SER   131       8.428   4.459  -5.345
ATOM   1991  HN  SER   131       9.205   4.166  -4.770
ATOM   1992  CA  SER   131       7.588   5.563  -4.896
ATOM   1993  HA  SER   131       6.615   5.180  -4.668
ATOM   1994  CB  SER   131       8.172   6.194  -3.631
ATOM   1995 2HB  SER   131       7.369   6.495  -2.986
ATOM   1996 3HB  SER   131       8.782   5.469  -3.127
ATOM   1997  OG  SER   131       8.963   7.327  -3.944
ATOM   1998  HG  SER   131       9.317   7.704  -3.135
ATOM   1999  C   SER   131       7.450   6.619  -5.988
ATOM   2000  O   SER   131       6.876   7.684  -5.766
ATOM   2001  OXT SER   131       7.916   6.423  -7.108
TER   
END   

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    MET   1           H        MET   1   1.196  -1.101   1.597
    2    HA   MET   1           HA       MET   1   1.211   0.243  -1.038
    3    HB2  MET   1           HB2      MET   1   3.143   0.683   1.297
    4    HB3  MET   1           HB3      MET   1   3.244   1.422  -0.293
    5    HG2  MET   1           HG2      MET   1   1.327   2.051   1.900
    6    HG3  MET   1           HG3      MET   1   2.471   3.091   1.055
    7    HE1  MET   1           HE1      MET   1   2.008   2.903  -1.998
    8    HE2  MET   1           HE2      MET   1   0.648   4.016  -2.265
    9    HE3  MET   1           HE3      MET   1   1.939   4.457  -1.136
   10    H    LYS   2           H        LYS   2   3.643   0.106  -1.940
   11    HA   LYS   2           HA       LYS   2   4.312  -2.616  -2.491
   12    HB2  LYS   2           HB2      LYS   2   6.316  -0.304  -2.628
   13    HB3  LYS   2           HB3      LYS   2   6.360  -1.833  -3.468
   14    HG2  LYS   2           HG2      LYS   2   5.665  -0.465  -5.152
   15    HG3  LYS   2           HG3      LYS   2   4.151  -1.130  -4.555
   16    HD2  LYS   2           HD2      LYS   2   3.466   1.087  -4.543
   17    HD3  LYS   2           HD3      LYS   2   4.295   1.143  -3.001
   18    HE2  LYS   2           HE2      LYS   2   5.247   2.968  -3.793
   19    HE3  LYS   2           HE3      LYS   2   6.411   1.809  -4.464
   20    HZ1  LYS   2           HZ1      LYS   2   4.077   2.976  -5.934
   21    HZ2  LYS   2           HZ2      LYS   2   5.644   3.345  -6.197
   22    HZ3  LYS   2           HZ3      LYS   2   5.086   1.852  -6.571
   23    H    LYS   3           H        LYS   3   5.639  -4.044  -1.410
   24    HA   LYS   3           HA       LYS   3   6.405  -3.192   1.335
   25    HB2  LYS   3           HB2      LYS   3   5.884  -5.862  -0.008
   26    HB3  LYS   3           HB3      LYS   3   6.387  -5.684   1.697
   27    HG2  LYS   3           HG2      LYS   3   4.251  -4.248   1.940
   28    HG3  LYS   3           HG3      LYS   3   3.868  -4.760   0.284
   29    HD2  LYS   3           HD2      LYS   3   2.638  -6.122   1.834
   30    HD3  LYS   3           HD3      LYS   3   3.835  -7.109   0.990
   31    HE2  LYS   3           HE2      LYS   3   5.317  -7.071   2.971
   32    HE3  LYS   3           HE3      LYS   3   4.253  -5.897   3.771
   33    HZ1  LYS   3           HZ1      LYS   3   3.636  -8.747   3.201
   34    HZ2  LYS   3           HZ2      LYS   3   3.816  -8.051   4.656
   35    HZ3  LYS   3           HZ3      LYS   3   2.512  -7.667   3.747
   36    H    VAL   4           H        VAL   4   8.471  -3.245   2.044
   37    HA   VAL   4           HA       VAL   4  10.535  -4.047   0.076
   38    HB   VAL   4           HB       VAL   4  10.671  -1.585   1.780
   39   HG11  VAL   4          HG11      VAL   4  12.328  -2.601  -0.545
   40   HG12  VAL   4          HG12      VAL   4  12.403  -0.905  -0.002
   41   HG13  VAL   4          HG13      VAL   4  12.878  -2.222   1.075
   42   HG21  VAL   4          HG21      VAL   4   8.823  -1.181   0.254
   43   HG22  VAL   4          HG22      VAL   4  10.223  -0.298  -0.382
   44   HG23  VAL   4          HG23      VAL   4   9.733  -1.827  -1.117
   45    H    MET   5           H        MET   5  12.689  -4.524   0.999
   46    HA   MET   5           HA       MET   5  12.633  -5.245   3.881
   47    HB2  MET   5           HB2      MET   5  11.937  -7.172   2.394
   48    HB3  MET   5           HB3      MET   5  13.518  -7.027   1.597
   49    HG2  MET   5           HG2      MET   5  13.430  -8.838   3.301
   50    HG3  MET   5           HG3      MET   5  14.708  -7.658   3.550
   51    HE1  MET   5           HE1      MET   5  10.823  -7.557   4.436
   52    HE2  MET   5           HE2      MET   5  11.421  -9.203   4.743
   53    HE3  MET   5           HE3      MET   5  10.903  -8.171   6.099
   54    H    PHE   6           H        PHE   6  14.673  -5.236   4.817
   55    HA   PHE   6           HA       PHE   6  17.036  -4.564   3.149
   56    HB2  PHE   6           HB2      PHE   6  16.058  -3.287   5.699
   57    HB3  PHE   6           HB3      PHE   6  17.737  -3.176   5.139
   58    HD1  PHE   6           HD1      PHE   6  14.235  -2.169   4.441
   59    HD2  PHE   6           HD2      PHE   6  18.286  -2.094   2.990
   60    HE1  PHE   6           HE1      PHE   6  13.585  -0.650   2.594
   61    HE2  PHE   6           HE2      PHE   6  17.628  -0.502   1.240
   62    HZ   PHE   6           HZ       PHE   6  15.272   0.266   1.053
   63    H    VAL   7           H        VAL   7  18.416  -6.321   3.386
   64    HA   VAL   7           HA       VAL   7  18.035  -8.072   5.760
   65    HB   VAL   7           HB       VAL   7  19.698  -8.718   3.331
   66   HG11  VAL   7          HG11      VAL   7  18.181 -10.523   5.235
   67   HG12  VAL   7          HG12      VAL   7  19.237 -11.006   3.883
   68   HG13  VAL   7          HG13      VAL   7  19.927 -10.193   5.281
   69   HG21  VAL   7          HG21      VAL   7  17.709  -9.880   2.353
   70   HG22  VAL   7          HG22      VAL   7  16.686  -9.176   3.627
   71   HG23  VAL   7          HG23      VAL   7  17.444  -8.140   2.407
   72    H    CYS   8           H        CYS   8  19.674  -8.332   7.276
   73    HA   CYS   8           HA       CYS   8  22.030  -6.566   6.908
   74    HB2  CYS   8           HB2      CYS   8  20.969  -7.371   9.608
   75    HB3  CYS   8           HB3      CYS   8  21.823  -5.914   9.118
   76    HG   CYS   8           HG       CYS   8  18.704  -6.839   8.701
   77    H    LYS   9           H        LYS   9  24.058  -7.073   7.728
   78    HA   LYS   9           HA       LYS   9  24.629  -9.579   9.090
   79    HB2  LYS   9           HB2      LYS   9  25.452  -9.085   6.192
   80    HB3  LYS   9           HB3      LYS   9  26.562  -9.906   7.282
   81    HG2  LYS   9           HG2      LYS   9  24.675 -11.541   7.835
   82    HG3  LYS   9           HG3      LYS   9  23.766 -10.807   6.519
   83    HD2  LYS   9           HD2      LYS   9  24.845 -12.845   5.756
   84    HD3  LYS   9           HD3      LYS   9  25.460 -11.446   4.898
   85    HE2  LYS   9           HE2      LYS   9  27.249 -13.043   5.407
   86    HE3  LYS   9           HE3      LYS   9  27.556 -11.484   6.169
   87    HZ1  LYS   9           HZ1      LYS   9  26.428 -13.840   7.597
   88    HZ2  LYS   9           HZ2      LYS   9  27.995 -13.383   7.640
   89    HZ3  LYS   9           HZ3      LYS   9  26.859 -12.412   8.293
   90    H    ARG  10           H        ARG  10  26.971  -9.577   9.723
   91    HA   ARG  10           HA       ARG  10  28.497  -8.613  11.036
   92    HB2  ARG  10           HB2      ARG  10  29.088  -7.697   8.556
   93    HB3  ARG  10           HB3      ARG  10  28.829  -6.145   9.309
   94    HG2  ARG  10           HG2      ARG  10  30.882  -8.285   9.982
   95    HG3  ARG  10           HG3      ARG  10  31.150  -6.725   9.248
   96    HD2  ARG  10           HD2      ARG  10  32.028  -6.428  11.393
   97    HD3  ARG  10           HD3      ARG  10  30.490  -5.662  11.524
   98    HE   ARG  10           HE       ARG  10  29.890  -7.224  13.127
   99   HH11  ARG  10          HH11      ARG  10  32.769  -8.459  11.429
  100   HH12  ARG  10          HH12      ARG  10  33.009  -9.768  12.530
  101   HH21  ARG  10          HH21      ARG  10  30.180  -9.018  14.535
  102   HH22  ARG  10          HH22      ARG  10  31.515 -10.084  14.320
  103    H    ASN  11           H        ASN  11  28.636  -5.415  11.282
  104    HA   ASN  11           HA       ASN  11  26.672  -5.379  13.454
  105    HB2  ASN  11           HB2      ASN  11  28.735  -4.074  13.654
  106    HB3  ASN  11           HB3      ASN  11  28.222  -3.025  12.317
  107   HD21  ASN  11          HD22      ASN  11  28.710  -2.218  15.127
  108   HD22  ASN  11          HD21      ASN  11  27.179  -1.674  15.786
  109    H    SER  12           H        SER  12  24.682  -5.727  12.753
  110    HA   SER  12           HA       SER  12  23.734  -5.013  10.183
  111    HB2  SER  12           HB2      SER  12  22.438  -5.843  12.797
  112    HB3  SER  12           HB3      SER  12  21.537  -5.714  11.275
  113    HG   SER  12           HG       SER  12  24.011  -7.169  11.347
  114    H    CYS  13           H        CYS  13  24.242  -2.821  12.765
  115    HA   CYS  13           HA       CYS  13  22.216  -0.955  12.513
  116    HB2  CYS  13           HB2      CYS  13  25.180  -0.554  12.869
  117    HB3  CYS  13           HB3      CYS  13  23.976   0.760  12.865
  118    HG   CYS  13           HG       CYS  13  24.212  -1.937  14.750
  119    H    ARG  14           H        ARG  14  24.748  -1.613  10.061
  120    HA   ARG  14           HA       ARG  14  24.210   0.774   8.511
  121    HB2  ARG  14           HB2      ARG  14  25.450  -0.319   6.691
  122    HB3  ARG  14           HB3      ARG  14  26.293  -0.447   8.229
  123    HG2  ARG  14           HG2      ARG  14  25.452  -2.815   8.456
  124    HG3  ARG  14           HG3      ARG  14  24.725  -2.674   6.847
  125    HD2  ARG  14           HD2      ARG  14  26.855  -2.398   5.806
  126    HD3  ARG  14           HD3      ARG  14  27.693  -2.281   7.362
  127    HE   ARG  14           HE       ARG  14  26.490  -4.706   7.605
  128   HH11  ARG  14          HH11      ARG  14  28.698  -3.316   5.164
  129   HH12  ARG  14          HH12      ARG  14  29.226  -4.850   4.581
  130   HH21  ARG  14          HH21      ARG  14  27.201  -6.712   6.848
  131   HH22  ARG  14          HH22      ARG  14  28.422  -6.840   5.620
  132    H    SER  15           H        SER  15  22.804  -2.512   8.392
  133    HA   SER  15           HA       SER  15  21.310  -1.852   5.968
  134    HB2  SER  15           HB2      SER  15  20.742  -4.451   6.782
  135    HB3  SER  15           HB3      SER  15  21.963  -3.940   5.641
  136    HG   SER  15           HG       SER  15  23.450  -4.637   6.958
  137    H    GLN  16           H        GLN  16  20.638  -2.578   9.448
  138    HA   GLN  16           HA       GLN  16  17.812  -2.179   9.145
  139    HB2  GLN  16           HB2      GLN  16  17.712  -2.349  11.449
  140    HB3  GLN  16           HB3      GLN  16  19.189  -3.244  11.078
  141    HG2  GLN  16           HG2      GLN  16  20.525  -1.242  11.537
  142    HG3  GLN  16           HG3      GLN  16  19.114  -0.329  12.002
  143   HE21  GLN  16          HE22      GLN  16  17.908  -0.945  13.876
  144   HE22  GLN  16          HE21      GLN  16  18.722  -1.718  15.217
  145    H    MET  17           H        MET  17  20.566   0.127   9.540
  146    HA   MET  17           HA       MET  17  19.014   2.489   9.839
  147    HB2  MET  17           HB2      MET  17  21.464   2.569  10.145
  148    HB3  MET  17           HB3      MET  17  21.650   1.991   8.444
  149    HG2  MET  17           HG2      MET  17  22.199   4.263   8.501
  150    HG3  MET  17           HG3      MET  17  20.720   4.116   7.598
  151    HE1  MET  17           HE1      MET  17  18.232   4.354   9.742
  152    HE2  MET  17           HE2      MET  17  18.271   6.047  10.331
  153    HE3  MET  17           HE3      MET  17  18.307   5.718   8.586
  154    H    ALA  18           H        ALA  18  20.018   0.598   6.968
  155    HA   ALA  18           HA       ALA  18  19.046   2.456   5.108
  156    HB1  ALA  18           HB1      ALA  18  19.282   0.659   3.532
  157    HB2  ALA  18           HB2      ALA  18  20.486   0.350   4.836
  158    HB3  ALA  18           HB3      ALA  18  18.962  -0.564   4.774
  159    H    GLU  19           H        GLU  19  17.306  -0.169   6.851
  160    HA   GLU  19           HA       GLU  19  14.756   0.521   5.744
  161    HB2  GLU  19           HB2      GLU  19  15.245  -1.558   7.026
  162    HB3  GLU  19           HB3      GLU  19  15.332  -0.601   8.501
  163    HG2  GLU  19           HG2      GLU  19  12.849   0.149   7.364
  164    HG3  GLU  19           HG3      GLU  19  12.993  -1.546   6.985
  165    H    GLY  20           H        GLY  20  16.632   1.966   8.547
  166    HA2  GLY  20           HA2      GLY  20  14.414   3.371   9.609
  167    HA3  GLY  20           HA3      GLY  20  16.116   3.769   9.857
  168    H    PHE  21           H        PHE  21  16.907   4.319   7.203
  169    HA   PHE  21           HA       PHE  21  15.760   6.950   6.674
  170    HB2  PHE  21           HB2      PHE  21  17.675   5.118   5.206
  171    HB3  PHE  21           HB3      PHE  21  17.054   6.584   4.452
  172    HD1  PHE  21           HD2      PHE  21  17.153   8.751   6.170
  173    HD2  PHE  21           HD1      PHE  21  19.900   5.405   6.022
  174    HE1  PHE  21           HE2      PHE  21  18.920  10.143   7.171
  175    HE2  PHE  21           HE1      PHE  21  21.630   6.784   6.982
  176    HZ   PHE  21           HZ       PHE  21  21.160   9.193   7.598
  177    H    ALA  22           H        ALA  22  15.242   3.618   5.336
  178    HA   ALA  22           HA       ALA  22  13.628   4.652   3.222
  179    HB1  ALA  22           HB1      ALA  22  13.709   1.836   4.341
  180    HB2  ALA  22           HB2      ALA  22  13.122   2.343   2.725
  181    HB3  ALA  22           HB3      ALA  22  14.839   2.490   3.130
  182    H    LYS  23           H        LYS  23  12.632   3.476   6.517
  183    HA   LYS  23           HA       LYS  23   9.855   3.890   5.953
  184    HB2  LYS  23           HB2      LYS  23   9.438   3.793   8.320
  185    HB3  LYS  23           HB3      LYS  23  10.602   2.546   7.895
  186    HG2  LYS  23           HG2      LYS  23  12.427   3.883   8.796
  187    HG3  LYS  23           HG3      LYS  23  11.323   5.217   9.173
  188    HD2  LYS  23           HD2      LYS  23  10.121   3.779  10.779
  189    HD3  LYS  23           HD3      LYS  23  11.215   2.431  10.390
  190    HE2  LYS  23           HE2      LYS  23  13.160   3.796  11.163
  191    HE3  LYS  23           HE3      LYS  23  12.079   5.142  11.533
  192    HZ1  LYS  23           HZ1      LYS  23  11.886   2.477  12.854
  193    HZ2  LYS  23           HZ2      LYS  23  12.717   3.747  13.476
  194    HZ3  LYS  23           HZ3      LYS  23  11.081   3.843  13.284
  195    H    THR  24           H        THR  24  12.393   6.085   6.955
  196    HA   THR  24           HA       THR  24  10.774   8.337   7.603
  197    HB   THR  24           HB       THR  24  13.647   7.685   6.936
  198    HG1  THR  24           HG1      THR  24  13.276   7.205   8.943
  199   HG21  THR  24          HG21      THR  24  14.432   9.877   7.477
  200   HG22  THR  24          HG22      THR  24  13.489   9.854   5.981
  201   HG23  THR  24          HG23      THR  24  12.755  10.508   7.478
  202    H    LEU  25           H        LEU  25  12.595   7.433   4.664
  203    HA   LEU  25           HA       LEU  25  11.714   9.789   3.236
  204    HB2  LEU  25           HB2      LEU  25  13.550   7.483   2.640
  205    HB3  LEU  25           HB3      LEU  25  13.229   8.763   1.456
  206    HG   LEU  25           HG       LEU  25  14.451   9.126   4.191
  207   HD11  LEU  25          HD11      LEU  25  16.571   9.497   2.949
  208   HD12  LEU  25          HD12      LEU  25  15.936   7.884   2.624
  209   HD13  LEU  25          HD13      LEU  25  15.721   9.177   1.422
  210   HD21  LEU  25          HD21      LEU  25  15.071  11.407   3.343
  211   HD22  LEU  25          HD22      LEU  25  14.083  11.105   1.896
  212   HD23  LEU  25          HD23      LEU  25  13.326  11.195   3.500
  213    H    GLY  26           H        GLY  26  10.952   6.362   3.296
  214    HA2  GLY  26           HA2      GLY  26   9.433   6.302   0.792
  215    HA3  GLY  26           HA3      GLY  26   9.789   4.988   1.938
  216    H    ALA  27           H        ALA  27   8.678   7.730   3.598
  217    HA   ALA  27           HA       ALA  27   6.608   6.263   4.796
  218    HB1  ALA  27           HB1      ALA  27   7.073   9.291   4.780
  219    HB2  ALA  27           HB2      ALA  27   6.114   8.388   5.974
  220    HB3  ALA  27           HB3      ALA  27   7.868   8.148   5.878
  221    H    GLY  28           H        GLY  28   4.626   5.780   4.126
  222    HA2  GLY  28           HA2      GLY  28   2.510   6.067   3.253
  223    HA3  GLY  28           HA3      GLY  28   2.915   7.752   2.860
  224    H    LYS  29           H        LYS  29   5.246   5.645   1.543
  225    HA   LYS  29           HA       LYS  29   3.945   5.598  -1.107
  226    HB2  LYS  29           HB2      LYS  29   6.819   6.030  -0.210
  227    HB3  LYS  29           HB3      LYS  29   6.363   5.769  -1.885
  228    HG2  LYS  29           HG2      LYS  29   5.262   8.033  -0.148
  229    HG3  LYS  29           HG3      LYS  29   6.687   8.191  -1.165
  230    HD2  LYS  29           HD2      LYS  29   5.117   7.288  -3.083
  231    HD3  LYS  29           HD3      LYS  29   3.794   7.764  -2.009
  232    HE2  LYS  29           HE2      LYS  29   4.439  10.078  -2.077
  233    HE3  LYS  29           HE3      LYS  29   6.030   9.693  -2.744
  234    HZ1  LYS  29           HZ1      LYS  29   4.605  10.507  -4.485
  235    HZ2  LYS  29           HZ2      LYS  29   4.952   8.925  -4.776
  236    HZ3  LYS  29           HZ3      LYS  29   3.469   9.369  -4.205
  237    H    ILE  30           H        ILE  30   6.045   4.015   1.279
  238    HA   ILE  30           HA       ILE  30   5.507   1.390   0.023
  239    HB   ILE  30           HB       ILE  30   7.858   0.777   0.441
  240   HG12  ILE  30          HG12      ILE  30   8.551   3.707   0.671
  241   HG13  ILE  30          HG13      ILE  30   8.280   2.734   2.119
  242   HG21  ILE  30          HG21      ILE  30   7.702   3.161  -1.481
  243   HG22  ILE  30          HG22      ILE  30   8.720   1.710  -1.579
  244   HG23  ILE  30          HG23      ILE  30   6.967   1.578  -1.784
  245   HD11  ILE  30          HD11      ILE  30  10.095   1.195   1.431
  246   HD12  ILE  30          HD12      ILE  30  10.443   2.257   0.039
  247   HD13  ILE  30          HD13      ILE  30  10.647   2.847   1.704
  248    H    ALA  31           H        ALA  31   6.016  -0.331   1.472
  249    HA   ALA  31           HA       ALA  31   5.709   0.324   4.396
  250    HB1  ALA  31           HB1      ALA  31   4.941  -2.204   2.838
  251    HB2  ALA  31           HB2      ALA  31   4.798  -1.991   4.593
  252    HB3  ALA  31           HB3      ALA  31   3.787  -1.015   3.502
  253    H    VAL  32           H        VAL  32   7.691  -0.257   5.468
  254    HA   VAL  32           HA       VAL  32   9.515  -2.021   4.011
  255    HB   VAL  32           HB       VAL  32   9.689   0.236   3.389
  256   HG11  VAL  32          HG11      VAL  32  10.410   1.177   6.140
  257   HG12  VAL  32          HG12      VAL  32  10.311   2.111   4.610
  258   HG13  VAL  32          HG13      VAL  32   8.849   1.481   5.338
  259   HG21  VAL  32          HG21      VAL  32  12.112  -0.221   5.144
  260   HG22  VAL  32          HG22      VAL  32  11.769  -1.238   3.736
  261   HG23  VAL  32          HG23      VAL  32  11.992   0.511   3.522
  262    H    THR  33           H        THR  33  10.914  -3.254   5.064
  263    HA   THR  33           HA       THR  33  10.846  -3.404   8.038
  264    HB   THR  33           HB       THR  33  10.433  -5.681   6.144
  265    HG1  THR  33           HG1      THR  33   8.373  -4.243   7.485
  266   HG21  THR  33          HG21      THR  33  11.033  -6.566   8.285
  267   HG22  THR  33          HG22      THR  33   9.929  -5.454   9.133
  268   HG23  THR  33          HG23      THR  33   9.296  -6.777   8.122
  269    H    SER  34           H        SER  34  12.581  -5.036   8.837
  270    HA   SER  34           HA       SER  34  14.816  -5.433   6.961
  271    HB2  SER  34           HB2      SER  34  16.413  -4.794   8.780
  272    HB3  SER  34           HB3      SER  34  15.542  -3.470   8.011
  273    HG   SER  34           HG       SER  34  14.166  -3.326   9.768
  274    H    CYS  35           H        CYS  35  16.347  -7.150   7.723
  275    HA   CYS  35           HA       CYS  35  15.468  -8.812   9.955
  276    HB2  CYS  35           HB2      CYS  35  15.139 -10.847   8.531
  277    HB3  CYS  35           HB3      CYS  35  13.979  -9.575   8.094
  278    HG   CYS  35           HG       CYS  35  15.129  -8.692   6.029
  279    H    GLY  36           H        GLY  36  16.902 -10.560  10.396
  280    HA2  GLY  36           HA2      GLY  36  19.087 -11.312  10.752
  281    HA3  GLY  36           HA3      GLY  36  19.660 -10.366   9.356
  282    H    LEU  37           H        LEU  37  20.704 -10.426  12.232
  283    HA   LEU  37           HA       LEU  37  21.034  -7.662  12.625
  284    HB2  LEU  37           HB2      LEU  37  18.651  -8.026  13.580
  285    HB3  LEU  37           HB3      LEU  37  19.428  -9.009  14.831
  286    HG   LEU  37           HG       LEU  37  21.031  -6.893  15.080
  287   HD11  LEU  37          HD11      LEU  37  18.517  -5.545  13.984
  288   HD12  LEU  37          HD12      LEU  37  19.991  -4.758  14.597
  289   HD13  LEU  37          HD13      LEU  37  20.029  -5.683  13.086
  290   HD21  LEU  37          HD21      LEU  37  19.577  -7.552  16.913
  291   HD22  LEU  37          HD22      LEU  37  19.500  -5.793  16.708
  292   HD23  LEU  37          HD23      LEU  37  18.170  -6.809  16.134
  293    H    GLU  38           H        GLU  38  22.942  -9.067  11.993
  294    HA   GLU  38           HA       GLU  38  23.677 -11.332  13.494
  295    HB2  GLU  38           HB2      GLU  38  24.204 -10.833  11.126
  296    HB3  GLU  38           HB3      GLU  38  25.378  -9.622  11.674
  297    HG2  GLU  38           HG2      GLU  38  26.843 -11.276  12.532
  298    HG3  GLU  38           HG3      GLU  38  25.561 -12.498  12.602
  299    H    SER  39           H        SER  39  24.070  -8.063  14.270
  300    HA   SER  39           HA       SER  39  26.358  -8.456  16.034
  301    HB2  SER  39           HB2      SER  39  25.502  -5.991  16.680
  302    HB3  SER  39           HB3      SER  39  26.399  -6.361  15.201
  303    HG   SER  39           HG       SER  39  23.770  -5.549  15.494
  304    H    SER  40           H        SER  40  23.642  -9.771  16.267
  305    HA   SER  40           HA       SER  40  22.240 -10.666  17.742
  306    HB2  SER  40           HB2      SER  40  24.392 -10.097  19.807
  307    HB3  SER  40           HB3      SER  40  23.098 -11.302  19.916
  308    HG   SER  40           HG       SER  40  25.096 -12.217  19.198
  309    H    ARG  41           H        ARG  41  22.993  -7.385  18.206
  310    HA   ARG  41           HA       ARG  41  20.368  -6.777  19.245
  311    HB2  ARG  41           HB2      ARG  41  21.258  -5.341  21.092
  312    HB3  ARG  41           HB3      ARG  41  21.453  -7.048  21.414
  313    HG2  ARG  41           HG2      ARG  41  23.770  -5.566  20.154
  314    HG3  ARG  41           HG3      ARG  41  23.408  -5.255  21.848
  315    HD2  ARG  41           HD2      ARG  41  23.934  -7.434  22.531
  316    HD3  ARG  41           HD3      ARG  41  23.628  -8.123  20.952
  317    HE   ARG  41           HE       ARG  41  25.671  -7.447  20.124
  318   HH11  ARG  41          HH21      ARG  41  25.373  -6.414  23.529
  319   HH12  ARG  41          HH22      ARG  41  27.062  -6.135  23.738
  320   HH21  ARG  41          HH11      ARG  41  27.927  -7.115  20.427
  321   HH22  ARG  41          HH12      ARG  41  28.548  -6.540  21.935
  322    H    VAL  42           H        VAL  42  20.267  -4.223  19.268
  323    HA   VAL  42           HA       VAL  42  21.589  -3.143  16.883
  324    HB   VAL  42           HB       VAL  42  20.244  -1.198  17.388
  325   HG11  VAL  42          HG11      VAL  42  19.122  -3.220  16.345
  326   HG12  VAL  42          HG12      VAL  42  18.430  -3.584  17.932
  327   HG13  VAL  42          HG13      VAL  42  18.021  -2.060  17.137
  328   HG21  VAL  42          HG21      VAL  42  20.398  -1.051  19.840
  329   HG22  VAL  42          HG22      VAL  42  18.710  -1.035  19.332
  330   HG23  VAL  42          HG23      VAL  42  19.401  -2.514  20.015
  331    H    HIS  43           H        HIS  43  22.605  -0.835  17.324
  332    HA   HIS  43           HA       HIS  43  24.585  -1.200  19.538
  333    HB2  HIS  43           HB2      HIS  43  25.203  -1.940  17.174
  334    HB3  HIS  43           HB3      HIS  43  25.230  -0.223  16.762
  335    HD1  HIS  43           HD1      HIS  43  27.555   0.925  17.111
  336    HD2  HIS  43           HD2      HIS  43  26.912  -2.506  19.481
  337    HE1  HIS  43           HE1      HIS  43  29.697   0.539  18.410
  338    HA   PRO  44           HA       PRO  44  22.606   2.725  20.437
  339    HB2  PRO  44           HB2      PRO  44  24.969   2.960  22.300
  340    HB3  PRO  44           HB3      PRO  44  23.239   3.357  22.591
  341    HG2  PRO  44           HG2      PRO  44  24.277   1.015  23.482
  342    HG3  PRO  44           HG3      PRO  44  22.651   1.059  22.723
  343    HD2  PRO  44           HD2      PRO  44  25.265   0.165  21.515
  344    HD3  PRO  44           HD3      PRO  44  23.614  -0.511  21.333
  345    H    THR  45           H        THR  45  26.139   2.595  19.670
  346    HA   THR  45           HA       THR  45  26.497   5.334  19.166
  347    HB   THR  45           HB       THR  45  27.812   3.167  17.502
  348    HG1  THR  45           HG1      THR  45  28.432   3.715  20.231
  349   HG21  THR  45          HG21      THR  45  28.534   5.484  17.111
  350   HG22  THR  45          HG22      THR  45  28.867   5.692  18.841
  351   HG23  THR  45          HG23      THR  45  29.832   4.544  17.871
  352    H    ALA  46           H        ALA  46  25.023   2.796  17.056
  353    HA   ALA  46           HA       ALA  46  24.887   4.570  14.750
  354    HB1  ALA  46           HB1      ALA  46  23.191   2.099  15.358
  355    HB2  ALA  46           HB2      ALA  46  23.400   2.871  13.771
  356    HB3  ALA  46           HB3      ALA  46  24.786   2.075  14.558
  357    H    ILE  47           H        ILE  47  22.684   3.620  17.407
  358    HA   ILE  47           HA       ILE  47  20.419   5.088  16.551
  359    HB   ILE  47           HB       ILE  47  21.357   4.278  19.256
  360   HG12  ILE  47          HG12      ILE  47  19.230   3.036  19.242
  361   HG13  ILE  47          HG13      ILE  47  18.974   3.499  17.550
  362   HG21  ILE  47          HG21      ILE  47  20.205   6.393  19.714
  363   HG22  ILE  47          HG22      ILE  47  18.831   5.874  18.700
  364   HG23  ILE  47          HG23      ILE  47  19.201   5.048  20.228
  365   HD11  ILE  47          HD11      ILE  47  19.784   1.205  17.902
  366   HD12  ILE  47          HD12      ILE  47  20.957   2.162  16.947
  367   HD13  ILE  47          HD13      ILE  47  21.249   1.820  18.683
  368    H    ALA  48           H        ALA  48  23.216   6.162  18.560
  369    HA   ALA  48           HA       ALA  48  22.368   8.826  18.829
  370    HB1  ALA  48           HB1      ALA  48  24.685   9.381  19.288
  371    HB2  ALA  48           HB2      ALA  48  24.240   7.869  20.106
  372    HB3  ALA  48           HB3      ALA  48  25.238   7.821  18.622
  373    H    MET  49           H        MET  49  24.305   7.354  16.179
  374    HA   MET  49           HA       MET  49  24.682   9.824  14.798
  375    HB2  MET  49           HB2      MET  49  24.710   7.005  13.717
  376    HB3  MET  49           HB3      MET  49  25.138   8.453  12.791
  377    HG2  MET  49           HG2      MET  49  26.537   7.275  15.151
  378    HG3  MET  49           HG3      MET  49  27.138   7.575  13.517
  379    HE1  MET  49           HE1      MET  49  26.134   9.469  16.958
  380    HE2  MET  49           HE2      MET  49  27.423   8.251  16.899
  381    HE3  MET  49           HE3      MET  49  27.815   9.973  17.172
  382    H    MET  50           H        MET  50  21.881   7.771  15.075
  383    HA   MET  50           HA       MET  50  20.683   8.940  12.638
  384    HB2  MET  50           HB2      MET  50  19.522   6.883  14.536
  385    HB3  MET  50           HB3      MET  50  18.942   7.328  12.931
  386    HG2  MET  50           HG2      MET  50  21.034   5.479  13.696
  387    HG3  MET  50           HG3      MET  50  20.045   5.536  12.270
  388    HE1  MET  50           HE1      MET  50  23.423   4.929  12.962
  389    HE2  MET  50           HE2      MET  50  22.572   4.331  11.518
  390    HE3  MET  50           HE3      MET  50  24.066   5.310  11.370
  391    H    GLU  51           H        GLU  51  20.457   9.053  16.175
  392    HA   GLU  51           HA       GLU  51  18.274  10.843  16.375
  393    HB2  GLU  51           HB2      GLU  51  19.349   9.449  18.221
  394    HB3  GLU  51           HB3      GLU  51  20.752  10.500  18.163
  395    HG2  GLU  51           HG2      GLU  51  19.421  11.192  20.007
  396    HG3  GLU  51           HG3      GLU  51  19.270  12.445  18.788
  397    H    GLU  52           H        GLU  52  21.709  11.279  15.726
  398    HA   GLU  52           HA       GLU  52  21.938  14.086  15.776
  399    HB2  GLU  52           HB2      GLU  52  23.316  11.868  14.260
  400    HB3  GLU  52           HB3      GLU  52  23.761  13.534  13.958
  401    HG2  GLU  52           HG2      GLU  52  23.785  12.567  16.821
  402    HG3  GLU  52           HG3      GLU  52  25.051  12.010  15.735
  403    H    VAL  53           H        VAL  53  20.056  12.112  13.583
  404    HA   VAL  53           HA       VAL  53  19.501  14.471  11.904
  405    HB   VAL  53           HB       VAL  53  19.254  12.857  10.016
  406   HG11  VAL  53          HG11      VAL  53  21.622  12.847   9.414
  407   HG12  VAL  53          HG12      VAL  53  21.193  14.368  10.204
  408   HG13  VAL  53          HG13      VAL  53  22.078  13.124  11.107
  409   HG21  VAL  53          HG21      VAL  53  19.195  10.704  11.210
  410   HG22  VAL  53          HG22      VAL  53  20.446  10.750   9.963
  411   HG23  VAL  53          HG23      VAL  53  20.904  10.931  11.667
  412    H    GLY  54           H        GLY  54  18.198  12.850  14.318
  413    HA2  GLY  54           HA2      GLY  54  16.065  12.674  15.052
  414    HA3  GLY  54           HA3      GLY  54  15.543  13.584  13.627
  415    H    ILE  55           H        ILE  55  17.090  10.321  13.865
  416    HA   ILE  55           HA       ILE  55  14.630   9.065  12.832
  417    HB   ILE  55           HB       ILE  55  17.407   8.392  11.862
  418   HG12  ILE  55          HG12      ILE  55  15.037   9.839  10.612
  419   HG13  ILE  55          HG13      ILE  55  16.666  10.473  10.905
  420   HG21  ILE  55          HG21      ILE  55  14.680   7.172  11.197
  421   HG22  ILE  55          HG22      ILE  55  16.180   6.805  10.343
  422   HG23  ILE  55          HG23      ILE  55  16.043   6.345  12.010
  423   HD11  ILE  55          HD11      ILE  55  15.801   8.412   8.911
  424   HD12  ILE  55          HD12      ILE  55  16.557   9.990   8.609
  425   HD13  ILE  55          HD13      ILE  55  17.517   8.669   9.341
  426    H    ASP  56           H        ASP  56  14.442   6.793  13.555
  427    HA   ASP  56           HA       ASP  56  15.932   6.172  16.087
  428    HB2  ASP  56           HB2      ASP  56  13.656   6.970  16.575
  429    HB3  ASP  56           HB3      ASP  56  12.973   5.763  15.488
  430    H    ILE  57           H        ILE  57  16.983   4.285  15.914
  431    HA   ILE  57           HA       ILE  57  15.768   2.075  14.377
  432    HB   ILE  57           HB       ILE  57  18.015   1.381  13.607
  433   HG12  ILE  57          HG12      ILE  57  19.015   4.155  14.274
  434   HG13  ILE  57          HG13      ILE  57  19.468   2.667  15.112
  435   HG21  ILE  57          HG21      ILE  57  16.238   2.704  12.269
  436   HG22  ILE  57          HG22      ILE  57  17.313   4.116  12.474
  437   HG23  ILE  57          HG23      ILE  57  17.863   2.649  11.622
  438   HD11  ILE  57          HD11      ILE  57  20.328   1.725  12.952
  439   HD12  ILE  57          HD12      ILE  57  19.961   3.276  12.155
  440   HD13  ILE  57          HD13      ILE  57  21.163   3.202  13.458
  441    H    SER  58           H        SER  58  16.247   3.014  17.375
  442    HA   SER  58           HA       SER  58  17.440   0.656  18.500
  443    HB2  SER  58           HB2      SER  58  15.879   2.112  20.381
  444    HB3  SER  58           HB3      SER  58  17.639   2.056  20.190
  445    HG   SER  58           HG       SER  58  16.571   4.214  20.083
  446    H    GLY  59           H        GLY  59  14.145   1.836  17.701
  447    HA2  GLY  59           HA2      GLY  59  12.728  -0.163  19.197
  448    HA3  GLY  59           HA3      GLY  59  12.105   0.809  17.854
  449    H    GLN  60           H        GLN  60  14.674  -0.509  16.413
  450    HA   GLN  60           HA       GLN  60  13.166  -2.583  15.048
  451    HB2  GLN  60           HB2      GLN  60  16.026  -1.562  14.821
  452    HB3  GLN  60           HB3      GLN  60  15.301  -2.762  13.733
  453    HG2  GLN  60           HG2      GLN  60  13.582  -1.105  13.104
  454    HG3  GLN  60           HG3      GLN  60  14.398   0.113  14.136
  455   HE21  GLN  60          HE22      GLN  60  14.092  -0.423  10.934
  456   HE22  GLN  60          HE21      GLN  60  15.758  -0.076  10.438
  457    H    THR  61           H        THR  61  13.895  -4.766  14.943
  458    HA   THR  61           HA       THR  61  15.894  -5.627  16.867
  459    HB   THR  61           HB       THR  61  14.056  -7.367  17.756
  460    HG1  THR  61           HG1      THR  61  11.991  -6.528  17.784
  461   HG21  THR  61          HG21      THR  61  15.314  -5.615  19.058
  462   HG22  THR  61          HG22      THR  61  13.949  -4.511  18.760
  463   HG23  THR  61          HG23      THR  61  13.698  -6.012  19.677
  464    H    SER  62           H        SER  62  16.126  -8.087  16.974
  465    HA   SER  62           HA       SER  62  16.818  -9.067  14.447
  466    HB2  SER  62           HB2      SER  62  16.302 -10.784  16.894
  467    HB3  SER  62           HB3      SER  62  17.575 -10.956  15.676
  468    HG   SER  62           HG       SER  62  18.284 -10.090  17.732
  469    H    ASP  63           H        ASP  63  15.811 -10.431  13.015
  470    HA   ASP  63           HA       ASP  63  13.828 -12.318  13.810
  471    HB2  ASP  63           HB2      ASP  63  12.483 -10.127  13.454
  472    HB3  ASP  63           HB3      ASP  63  12.878 -10.287  11.756
  473    HA   PRO  64           HA       PRO  64  16.726 -13.613  10.717
  474    HB2  PRO  64           HB2      PRO  64  16.196 -16.300  10.466
  475    HB3  PRO  64           HB3      PRO  64  16.920 -15.558  11.925
  476    HG2  PRO  64           HG2      PRO  64  14.013 -16.261  11.442
  477    HG3  PRO  64           HG3      PRO  64  15.015 -16.623  12.882
  478    HD2  PRO  64           HD2      PRO  64  13.324 -14.478  12.765
  479    HD3  PRO  64           HD3      PRO  64  14.878 -14.403  13.649
  480    H    ILE  65           H        ILE  65  17.032 -14.111   8.552
  481    HA   ILE  65           HA       ILE  65  15.113 -13.214   6.710
  482    HB   ILE  65           HB       ILE  65  17.542 -13.169   6.364
  483   HG12  ILE  65          HG12      ILE  65  16.034 -14.682   4.180
  484   HG13  ILE  65          HG13      ILE  65  16.138 -12.936   4.424
  485   HG21  ILE  65          HG21      ILE  65  18.899 -15.093   5.840
  486   HG22  ILE  65          HG22      ILE  65  18.070 -15.463   7.348
  487   HG23  ILE  65          HG23      ILE  65  17.493 -16.168   5.822
  488   HD11  ILE  65          HD11      ILE  65  18.670 -13.166   4.044
  489   HD12  ILE  65          HD12      ILE  65  18.345 -14.825   3.519
  490   HD13  ILE  65          HD13      ILE  65  17.613 -13.469   2.649
  491    H    GLU  66           H        GLU  66  15.834 -16.485   7.805
  492    HA   GLU  66           HA       GLU  66  14.447 -17.827   5.740
  493    HB2  GLU  66           HB2      GLU  66  15.389 -18.510   8.542
  494    HB3  GLU  66           HB3      GLU  66  14.494 -19.716   7.605
  495    HG2  GLU  66           HG2      GLU  66  17.083 -18.384   6.715
  496    HG3  GLU  66           HG3      GLU  66  16.975 -19.960   7.492
  497    H    ASN  67           H        ASN  67  13.196 -16.189   8.539
  498    HA   ASN  67           HA       ASN  67  10.646 -17.566   8.364
  499    HB2  ASN  67           HB2      ASN  67  10.298 -16.945  10.433
  500    HB3  ASN  67           HB3      ASN  67  11.941 -16.345  10.481
  501   HD21  ASN  67          HD22      ASN  67  12.231 -13.958   9.775
  502   HD22  ASN  67          HD21      ASN  67  10.989 -12.889  10.417
  503    H    PHE  68           H        PHE  68  12.163 -15.133   6.566
  504    HA   PHE  68           HA       PHE  68   9.657 -13.676   6.046
  505    HB2  PHE  68           HB2      PHE  68  12.548 -13.028   5.402
  506    HB3  PHE  68           HB3      PHE  68  11.217 -12.201   4.628
  507    HD1  PHE  68           HD2      PHE  68   9.542 -10.899   5.965
  508    HD2  PHE  68           HD1      PHE  68  13.094 -12.553   7.731
  509    HE1  PHE  68           HE2      PHE  68   9.274  -9.379   7.907
  510    HE2  PHE  68           HE1      PHE  68  12.811 -11.061   9.688
  511    HZ   PHE  68           HZ       PHE  68  10.918  -9.448   9.771
  512    H    ASN  69           H        ASN  69   9.333 -13.137   3.657
  513    HA   ASN  69           HA       ASN  69   9.850 -15.385   1.829
  514    HB2  ASN  69           HB2      ASN  69   7.809 -15.949   3.139
  515    HB3  ASN  69           HB3      ASN  69   7.205 -14.290   2.893
  516   HD21  ASN  69          HD22      ASN  69   6.810 -13.585   0.847
  517   HD22  ASN  69          HD21      ASN  69   5.995 -14.654  -0.327
  518    H    ALA  70           H        ALA  70  11.172 -13.829   0.652
  519    HA   ALA  70           HA       ALA  70  10.547 -11.165   0.182
  520    HB1  ALA  70           HB1      ALA  70  11.834 -11.488  -1.946
  521    HB2  ALA  70           HB2      ALA  70  12.641 -12.064  -0.479
  522    HB3  ALA  70           HB3      ALA  70  11.865 -13.232  -1.605
  523    H    ASP  71           H        ASP  71   9.015 -14.005  -1.133
  524    HA   ASP  71           HA       ASP  71   7.890 -12.908  -3.496
  525    HB2  ASP  71           HB2      ASP  71   7.570 -15.134  -3.539
  526    HB3  ASP  71           HB3      ASP  71   7.389 -15.284  -1.804
  527    H    ASP  72           H        ASP  72   7.297 -12.226  -0.192
  528    HA   ASP  72           HA       ASP  72   4.764 -10.794  -0.766
  529    HB2  ASP  72           HB2      ASP  72   4.745 -12.599   0.966
  530    HB3  ASP  72           HB3      ASP  72   5.893 -11.658   1.915
  531    H    TYR  73           H        TYR  73   7.864  -9.904  -1.077
  532    HA   TYR  73           HA       TYR  73   7.236  -7.232  -0.124
  533    HB2  TYR  73           HB2      TYR  73   9.972  -8.414   0.208
  534    HB3  TYR  73           HB3      TYR  73   9.462  -6.738   0.561
  535    HD1  TYR  73           HD1      TYR  73   8.994 -10.276   1.494
  536    HD2  TYR  73           HD2      TYR  73   8.443  -6.192   2.679
  537    HE1  TYR  73           HE1      TYR  73   8.104 -11.075   3.644
  538    HE2  TYR  73           HE2      TYR  73   7.616  -6.938   4.903
  539    HH   TYR  73           HH       TYR  73   6.997  -8.775   6.236
  540    H    ASP  74           H        ASP  74   7.069  -6.020  -1.964
  541    HA   ASP  74           HA       ASP  74   7.750  -7.196  -4.481
  542    HB2  ASP  74           HB2      ASP  74   7.267  -4.239  -3.880
  543    HB3  ASP  74           HB3      ASP  74   7.044  -5.052  -5.425
  544    H    VAL  75           H        VAL  75   9.816  -5.472  -2.306
  545    HA   VAL  75           HA       VAL  75  11.877  -5.046  -4.418
  546    HB   VAL  75           HB       VAL  75  10.539  -3.165  -2.608
  547   HG11  VAL  75          HG11      VAL  75  12.025  -1.484  -2.574
  548   HG12  VAL  75          HG12      VAL  75  13.197  -2.822  -2.655
  549   HG13  VAL  75          HG13      VAL  75  12.754  -1.879  -4.094
  550   HG21  VAL  75          HG21      VAL  75  10.934  -2.951  -5.569
  551   HG22  VAL  75          HG22      VAL  75   9.417  -3.193  -4.687
  552   HG23  VAL  75          HG23      VAL  75  10.264  -1.671  -4.530
  553    H    VAL  76           H        VAL  76  13.766  -6.143  -3.559
  554    HA   VAL  76           HA       VAL  76  13.958  -6.138  -0.587
  555    HB   VAL  76           HB       VAL  76  14.816  -8.445  -0.790
  556   HG11  VAL  76          HG11      VAL  76  12.650  -9.503  -0.754
  557   HG12  VAL  76          HG12      VAL  76  12.431  -7.877  -0.104
  558   HG13  VAL  76          HG13      VAL  76  11.941  -8.225  -1.759
  559   HG21  VAL  76          HG21      VAL  76  13.623  -8.454  -3.595
  560   HG22  VAL  76          HG22      VAL  76  15.333  -8.637  -3.172
  561   HG23  VAL  76          HG23      VAL  76  14.180  -9.871  -2.683
  562    H    ILE  77           H        ILE  77  15.808  -5.631   0.232
  563    HA   ILE  77           HA       ILE  77  18.076  -5.140  -1.617
  564    HB   ILE  77           HB       ILE  77  17.203  -3.458   0.759
  565   HG12  ILE  77          HG12      ILE  77  15.468  -3.225  -0.954
  566   HG13  ILE  77          HG13      ILE  77  16.416  -1.773  -0.776
  567   HG21  ILE  77          HG21      ILE  77  19.272  -3.023  -1.455
  568   HG22  ILE  77          HG22      ILE  77  18.824  -1.852  -0.198
  569   HG23  ILE  77          HG23      ILE  77  19.601  -3.362   0.254
  570   HD11  ILE  77          HD11      ILE  77  17.572  -2.150  -2.881
  571   HD12  ILE  77          HD12      ILE  77  16.986  -3.798  -2.989
  572   HD13  ILE  77          HD13      ILE  77  15.837  -2.465  -3.169
  573    H    SER  78           H        SER  78  19.278  -6.824  -1.155
  574    HA   SER  78           HA       SER  78  19.672  -7.673   1.617
  575    HB2  SER  78           HB2      SER  78  19.573  -9.355  -0.051
  576    HB3  SER  78           HB3      SER  78  20.787  -8.536  -1.065
  577    HG   SER  78           HG       SER  78  22.324  -9.296   0.085
  578    H    LEU  79           H        LEU  79  22.019  -7.526   2.454
  579    HA   LEU  79           HA       LEU  79  23.697  -5.506   1.163
  580    HB2  LEU  79           HB2      LEU  79  22.860  -5.128   4.070
  581    HB3  LEU  79           HB3      LEU  79  24.208  -4.338   3.247
  582    HG   LEU  79           HG       LEU  79  22.384  -3.502   1.565
  583   HD11  LEU  79          HD11      LEU  79  20.447  -4.708   2.736
  584   HD12  LEU  79          HD12      LEU  79  20.628  -3.555   4.055
  585   HD13  LEU  79          HD13      LEU  79  20.253  -2.983   2.427
  586   HD21  LEU  79          HD21      LEU  79  22.851  -2.294   4.317
  587   HD22  LEU  79          HD22      LEU  79  23.782  -2.017   2.841
  588   HD23  LEU  79          HD23      LEU  79  22.120  -1.435   2.936
  589    H    CYS  80           H        CYS  80  23.841  -8.215   1.128
  590    HA   CYS  80           HA       CYS  80  25.479  -9.134   3.425
  591    HB2  CYS  80           HB2      CYS  80  24.020 -10.735   1.247
  592    HB3  CYS  80           HB3      CYS  80  24.901 -11.359   2.637
  593    HG   CYS  80           HG       CYS  80  21.974 -10.136   2.322
  594    H    GLY  81           H        GLY  81  26.072  -7.697   0.495
  595    HA2  GLY  81           HA2      GLY  81  28.320  -7.354  -0.196
  596    HA3  GLY  81           HA3      GLY  81  28.781  -8.960   0.374
  597    H    CYS  82           H        CYS  82  25.804  -8.453  -1.370
  598    HA   CYS  82           HA       CYS  82  24.945  -9.590  -3.144
  599    HB2  CYS  82           HB2      CYS  82  26.083  -7.433  -3.927
  600    HB3  CYS  82           HB3      CYS  82  27.335  -8.465  -4.635
  601    HG   CYS  82           HG       CYS  82  25.730  -9.873  -6.125
  602    H    GLY  83           H        GLY  83  26.393 -11.409  -1.589
  603    HA2  GLY  83           HA2      GLY  83  27.293 -13.408  -3.586
  604    HA3  GLY  83           HA3      GLY  83  28.429 -12.875  -2.331
  605    H    VAL  84           H        VAL  84  24.897 -13.260  -1.915
  606    HA   VAL  84           HA       VAL  84  25.317 -15.637  -0.243
  607    HB   VAL  84           HB       VAL  84  23.548 -13.248   0.369
  608   HG11  VAL  84          HG11      VAL  84  22.905 -14.397   2.434
  609   HG12  VAL  84          HG12      VAL  84  22.397 -15.355   1.050
  610   HG13  VAL  84          HG13      VAL  84  23.844 -15.835   1.967
  611   HG21  VAL  84          HG21      VAL  84  25.078 -13.378   2.486
  612   HG22  VAL  84          HG22      VAL  84  26.121 -14.401   1.520
  613   HG23  VAL  84          HG23      VAL  84  25.782 -12.743   0.963
  614    H    ASN  85           H        ASN  85  23.890 -17.271  -0.571
  615    HA   ASN  85           HA       ASN  85  22.560 -17.190  -3.159
  616    HB2  ASN  85           HB2      ASN  85  24.084 -19.053  -2.311
  617    HB3  ASN  85           HB3      ASN  85  22.778 -19.540  -1.229
  618   HD21  ASN  85          HD22      ASN  85  23.537 -18.821  -4.666
  619   HD22  ASN  85          HD21      ASN  85  22.404 -19.966  -5.355
  620    H    LEU  86           H        LEU  86  21.024 -15.522  -2.280
  621    HA   LEU  86           HA       LEU  86  18.992 -16.154  -0.397
  622    HB2  LEU  86           HB2      LEU  86  18.606 -14.415  -2.855
  623    HB3  LEU  86           HB3      LEU  86  17.711 -14.360  -1.342
  624    HG   LEU  86           HG       LEU  86  20.596 -13.504  -1.763
  625   HD11  LEU  86          HD11      LEU  86  19.772 -11.264  -1.382
  626   HD12  LEU  86          HD12      LEU  86  18.836 -12.001  -2.693
  627   HD13  LEU  86          HD13      LEU  86  18.121 -11.860  -1.072
  628   HD21  LEU  86          HD21      LEU  86  18.931 -13.302   0.781
  629   HD22  LEU  86          HD22      LEU  86  20.298 -14.411   0.545
  630   HD23  LEU  86          HD23      LEU  86  20.575 -12.662   0.540
  631    HA   PRO  87           HA       PRO  87  16.534 -19.158  -2.712
  632    HB2  PRO  87           HB2      PRO  87  14.172 -17.711  -1.577
  633    HB3  PRO  87           HB3      PRO  87  14.522 -19.456  -1.569
  634    HG2  PRO  87           HG2      PRO  87  14.866 -17.865   0.667
  635    HG3  PRO  87           HG3      PRO  87  15.930 -19.262   0.307
  636    HD2  PRO  87           HD2      PRO  87  16.496 -16.337  -0.005
  637    HD3  PRO  87           HD3      PRO  87  17.598 -17.694   0.347
  638    HA   PRO  88           HA       PRO  88  15.690 -16.911  -6.249
  639    HB2  PRO  88           HB2      PRO  88  13.741 -18.303  -7.686
  640    HB3  PRO  88           HB3      PRO  88  15.445 -18.815  -7.497
  641    HG2  PRO  88           HG2      PRO  88  13.046 -19.671  -5.862
  642    HG3  PRO  88           HG3      PRO  88  14.326 -20.710  -6.573
  643    HD2  PRO  88           HD2      PRO  88  14.408 -19.982  -3.967
  644    HD3  PRO  88           HD3      PRO  88  15.911 -20.015  -4.943
  645    H    GLU  89           H        GLU  89  12.900 -17.197  -4.159
  646    HA   GLU  89           HA       GLU  89  11.154 -15.457  -5.588
  647    HB2  GLU  89           HB2      GLU  89  10.098 -15.135  -3.353
  648    HB3  GLU  89           HB3      GLU  89  10.200 -16.815  -3.902
  649    HG2  GLU  89           HG2      GLU  89  12.088 -17.220  -2.396
  650    HG3  GLU  89           HG3      GLU  89  12.074 -15.531  -1.878
  651    H    TRP  90           H        TRP  90  13.997 -14.929  -3.589
  652    HA   TRP  90           HA       TRP  90  13.509 -12.134  -3.163
  653    HB2  TRP  90           HB2      TRP  90  16.034 -13.828  -3.079
  654    HB3  TRP  90           HB3      TRP  90  16.007 -12.133  -2.638
  655    HD1  TRP  90           HD1      TRP  90  14.575 -15.489  -1.397
  656    HE1  TRP  90           HE1      TRP  90  14.060 -15.337   1.110
  657    HE3  TRP  90           HE3      TRP  90  15.558 -10.563  -0.694
  658    HZ2  TRP  90           HZ2      TRP  90  13.968 -13.294   3.134
  659    HZ3  TRP  90           HZ3      TRP  90  15.185  -9.479   1.518
  660    HH2  TRP  90           HH2      TRP  90  14.382 -10.868   3.452
  661    H    VAL  91           H        VAL  91  14.050 -13.705  -6.095
  662    HA   VAL  91           HA       VAL  91  15.611 -11.491  -7.213
  663    HB   VAL  91           HB       VAL  91  15.046 -14.171  -8.299
  664   HG11  VAL  91          HG11      VAL  91  15.636 -12.639 -10.096
  665   HG12  VAL  91          HG12      VAL  91  17.084 -12.110  -9.205
  666   HG13  VAL  91          HG13      VAL  91  16.957 -13.769  -9.826
  667   HG21  VAL  91          HG21      VAL  91  17.423 -14.729  -7.699
  668   HG22  VAL  91          HG22      VAL  91  17.517 -13.189  -6.814
  669   HG23  VAL  91          HG23      VAL  91  16.407 -14.474  -6.283
  670    H    THR  92           H        THR  92  12.429 -13.060  -7.366
  671    HA   THR  92           HA       THR  92  11.779 -12.140  -9.993
  672    HB   THR  92           HB       THR  92   9.497 -13.075  -9.270
  673    HG1  THR  92           HG1      THR  92   9.408 -14.059  -7.283
  674   HG21  THR  92          HG21      THR  92  10.340 -15.387  -9.243
  675   HG22  THR  92          HG22      THR  92  11.280 -14.418 -10.397
  676   HG23  THR  92          HG23      THR  92  11.969 -14.815  -8.807
  677    H    GLN  93           H        GLN  93  11.561 -10.609  -6.935
  678    HA   GLN  93           HA       GLN  93   9.507  -8.841  -7.000
  679    HB2  GLN  93           HB2      GLN  93  12.398  -8.745  -6.043
  680    HB3  GLN  93           HB3      GLN  93  11.160  -7.642  -5.451
  681    HG2  GLN  93           HG2      GLN  93  11.716 -10.457  -4.796
  682    HG3  GLN  93           HG3      GLN  93  11.133  -9.177  -3.767
  683   HE21  GLN  93          HE22      GLN  93  10.365 -12.078  -5.060
  684   HE22  GLN  93          HE21      GLN  93   8.623 -11.966  -5.293
  685    H    GLU  94           H        GLU  94   9.666  -6.420  -7.122
  686    HA   GLU  94           HA       GLU  94  10.171  -5.625  -9.820
  687    HB2  GLU  94           HB2      GLU  94   8.287  -4.595  -8.902
  688    HB3  GLU  94           HB3      GLU  94   8.997  -4.498  -7.303
  689    HG2  GLU  94           HG2      GLU  94   8.723  -2.321  -8.104
  690    HG3  GLU  94           HG3      GLU  94  10.417  -2.718  -7.862
  691    H    ILE  95           H        ILE  95  11.682  -5.269  -6.601
  692    HA   ILE  95           HA       ILE  95  14.180  -4.481  -8.029
  693    HB   ILE  95           HB       ILE  95  13.225  -3.459  -5.368
  694   HG12  ILE  95          HG12      ILE  95  12.429  -2.116  -7.213
  695   HG13  ILE  95          HG13      ILE  95  13.600  -1.259  -6.191
  696   HG21  ILE  95          HG21      ILE  95  15.997  -3.328  -6.606
  697   HG22  ILE  95          HG22      ILE  95  15.479  -2.231  -5.329
  698   HG23  ILE  95          HG23      ILE  95  15.549  -3.971  -5.012
  699   HD11  ILE  95          HD11      ILE  95  14.216  -2.460  -8.936
  700   HD12  ILE  95          HD12      ILE  95  13.842  -0.762  -8.618
  701   HD13  ILE  95          HD13      ILE  95  15.312  -1.478  -7.935
  702    H    PHE  96           H        PHE  96  15.886  -5.680  -7.527
  703    HA   PHE  96           HA       PHE  96  16.020  -7.119  -5.007
  704    HB2  PHE  96           HB2      PHE  96  15.400  -9.019  -6.332
  705    HB3  PHE  96           HB3      PHE  96  16.419  -8.503  -7.672
  706    HD1  PHE  96           HD1      PHE  96  17.396  -8.470  -4.012
  707    HD2  PHE  96           HD2      PHE  96  18.015 -10.287  -7.888
  708    HE1  PHE  96           HE1      PHE  96  19.503  -9.411  -3.220
  709    HE2  PHE  96           HE2      PHE  96  20.084 -11.345  -7.028
  710    HZ   PHE  96           HZ       PHE  96  20.844 -10.916  -4.702
  711    H    GLU  97           H        GLU  97  17.755  -6.092  -4.231
  712    HA   GLU  97           HA       GLU  97  20.106  -5.666  -5.960
  713    HB2  GLU  97           HB2      GLU  97  18.666  -3.501  -4.384
  714    HB3  GLU  97           HB3      GLU  97  20.394  -3.401  -4.724
  715    HG2  GLU  97           HG2      GLU  97  19.956  -3.498  -7.136
  716    HG3  GLU  97           HG3      GLU  97  18.220  -3.639  -6.834
  717    H    ASP  98           H        ASP  98  21.929  -5.069  -4.499
  718    HA   ASP  98           HA       ASP  98  21.700  -6.005  -1.795
  719    HB2  ASP  98           HB2      ASP  98  22.367  -8.074  -2.910
  720    HB3  ASP  98           HB3      ASP  98  23.794  -7.245  -3.544
  721    H    TRP  99           H        TRP  99  22.325  -4.151  -0.857
  722    HA   TRP  99           HA       TRP  99  24.371  -2.455  -2.177
  723    HB2  TRP  99           HB2      TRP  99  22.696  -1.837   0.263
  724    HB3  TRP  99           HB3      TRP  99  23.811  -0.757  -0.549
  725    HD1  TRP  99           HD1      TRP  99  22.571  -1.909  -3.546
  726    HE1  TRP  99           HE1      TRP  99  20.411  -0.854  -4.358
  727    HE3  TRP  99           HE3      TRP  99  21.086   0.244   0.847
  728    HZ2  TRP  99           HZ2      TRP  99  18.103   0.462  -3.143
  729    HZ3  TRP  99           HZ3      TRP  99  18.899   1.439   0.962
  730    HH2  TRP  99           HH2      TRP  99  17.389   1.447  -0.980
  731    H    GLN 100           H        GLN 100  25.749  -4.189  -1.959
  732    HA   GLN 100           HA       GLN 100  27.110  -5.296   0.134
  733    HB2  GLN 100           HB2      GLN 100  28.926  -5.441  -1.531
  734    HB3  GLN 100           HB3      GLN 100  27.324  -5.959  -2.083
  735    HG2  GLN 100           HG2      GLN 100  27.343  -3.366  -3.042
  736    HG3  GLN 100           HG3      GLN 100  29.059  -3.697  -3.028
  737   HE21  GLN 100          HE22      GLN 100  25.871  -4.784  -4.348
  738   HE22  GLN 100          HE21      GLN 100  26.567  -5.585  -5.738
  739    H    LEU 101           H        LEU 101  26.704  -2.691   1.202
  740    HA   LEU 101           HA       LEU 101  28.822  -0.908   0.502
  741    HB2  LEU 101           HB2      LEU 101  26.215  -0.798   1.821
  742    HB3  LEU 101           HB3      LEU 101  27.341  -0.062   2.906
  743    HG   LEU 101           HG       LEU 101  26.195   1.560   1.471
  744   HD11  LEU 101          HD11      LEU 101  28.117   2.862   0.699
  745   HD12  LEU 101          HD12      LEU 101  28.452   2.157   2.278
  746   HD13  LEU 101          HD13      LEU 101  29.175   1.453   0.798
  747   HD21  LEU 101          HD21      LEU 101  26.551   1.733  -0.907
  748   HD22  LEU 101          HD22      LEU 101  27.660   0.353  -0.915
  749   HD23  LEU 101          HD23      LEU 101  25.940   0.111  -0.544
  750    H    GLU 102           H        GLU 102  29.637   0.400   2.631
  751    HA   GLU 102           HA       GLU 102  31.821  -0.878   3.758
  752    HB2  GLU 102           HB2      GLU 102  30.098   1.476   4.575
  753    HB3  GLU 102           HB3      GLU 102  31.578   1.088   5.456
  754    HG2  GLU 102           HG2      GLU 102  32.923   1.412   3.460
  755    HG3  GLU 102           HG3      GLU 102  31.494   1.681   2.464
  756    H    ASP 103           H        ASP 103  32.220  -1.010   6.113
  757    HA   ASP 103           HA       ASP 103  30.079  -2.481   7.602
  758    HB2  ASP 103           HB2      ASP 103  31.530  -4.120   6.720
  759    HB3  ASP 103           HB3      ASP 103  32.971  -3.192   7.153
  760    HA   PRO 104           HA       PRO 104  31.700   0.732  10.383
  761    HB2  PRO 104           HB2      PRO 104  29.529   1.214  11.917
  762    HB3  PRO 104           HB3      PRO 104  29.594   1.746  10.215
  763    HG2  PRO 104           HG2      PRO 104  28.291  -0.765  11.318
  764    HG3  PRO 104           HG3      PRO 104  27.591   0.436  10.190
  765    HD2  PRO 104           HD2      PRO 104  28.793  -1.911   9.369
  766    HD3  PRO 104           HD3      PRO 104  28.825  -0.418   8.377
  767    H    ASP 105           H        ASP 105  31.018  -2.548  10.935
  768    HA   ASP 105           HA       ASP 105  30.844  -3.892  12.830
  769    HB2  ASP 105           HB2      ASP 105  32.875  -4.301  11.669
  770    HB3  ASP 105           HB3      ASP 105  33.693  -2.970  12.467
  771    H    GLY 106           H        GLY 106  33.473  -2.178  14.239
  772    HA2  GLY 106           HA2      GLY 106  31.816  -0.972  16.419
  773    HA3  GLY 106           HA3      GLY 106  33.230  -1.968  16.820
  774    H    GLN 107           H        GLN 107  32.702   0.411  14.195
  775    HA   GLN 107           HA       GLN 107  35.384   1.472  14.543
  776    HB2  GLN 107           HB2      GLN 107  33.128   2.062  12.552
  777    HB3  GLN 107           HB3      GLN 107  34.706   2.826  12.490
  778    HG2  GLN 107           HG2      GLN 107  35.532   0.256  12.737
  779    HG3  GLN 107           HG3      GLN 107  34.031   0.004  11.838
  780   HE21  GLN 107          HE21      GLN 107  34.206   0.298   9.544
  781   HE22  GLN 107          HE22      GLN 107  35.509   1.200   8.802
  782    H    SER 108           H        SER 108  35.357   3.938  13.804
  783    HA   SER 108           HA       SER 108  34.804   5.471  16.170
  784    HB2  SER 108           HB2      SER 108  35.633   7.336  14.571
  785    HB3  SER 108           HB3      SER 108  36.759   6.027  14.957
  786    HG   SER 108           HG       SER 108  36.755   6.415  12.723
  787    H    LEU 109           H        LEU 109  33.506   7.489  16.083
  788    HA   LEU 109           HA       LEU 109  30.839   7.131  15.230
  789    HB2  LEU 109           HB2      LEU 109  32.283   9.804  15.593
  790    HB3  LEU 109           HB3      LEU 109  30.546   9.561  15.530
  791    HG   LEU 109           HG       LEU 109  32.460   8.801  17.754
  792   HD11  LEU 109          HD11      LEU 109  30.964  10.264  19.077
  793   HD12  LEU 109          HD12      LEU 109  31.632  11.130  17.683
  794   HD13  LEU 109          HD13      LEU 109  29.954  10.557  17.645
  795   HD21  LEU 109          HD21      LEU 109  29.555   7.958  17.428
  796   HD22  LEU 109          HD22      LEU 109  30.977   6.901  17.588
  797   HD23  LEU 109          HD23      LEU 109  30.460   7.882  18.959
  798    H    GLU 110           H        GLU 110  33.632   8.442  13.513
  799    HA   GLU 110           HA       GLU 110  32.210   9.805  11.465
  800    HB2  GLU 110           HB2      GLU 110  34.998   8.563  11.542
  801    HB3  GLU 110           HB3      GLU 110  34.382   9.511  10.173
  802    HG2  GLU 110           HG2      GLU 110  33.853  11.373  11.710
  803    HG3  GLU 110           HG3      GLU 110  34.584  10.470  13.045
  804    H    VAL 111           H        VAL 111  33.218   6.301  11.719
  805    HA   VAL 111           HA       VAL 111  32.309   5.953   9.020
  806    HB   VAL 111           HB       VAL 111  32.936   3.871  11.157
  807   HG11  VAL 111          HG11      VAL 111  32.595   3.616   8.124
  808   HG12  VAL 111          HG12      VAL 111  33.120   2.324   9.206
  809   HG13  VAL 111          HG13      VAL 111  31.496   2.951   9.359
  810   HG21  VAL 111          HG21      VAL 111  35.078   3.662   9.817
  811   HG22  VAL 111          HG22      VAL 111  34.597   5.083   8.890
  812   HG23  VAL 111          HG23      VAL 111  34.918   5.213  10.633
  813    H    PHE 112           H        PHE 112  30.873   5.217  12.289
  814    HA   PHE 112           HA       PHE 112  28.360   4.407  11.323
  815    HB2  PHE 112           HB2      PHE 112  29.060   5.989  13.829
  816    HB3  PHE 112           HB3      PHE 112  27.423   5.471  13.460
  817    HD1  PHE 112           HD2      PHE 112  26.847   3.066  13.124
  818    HD2  PHE 112           HD1      PHE 112  30.614   4.359  14.747
  819    HE1  PHE 112           HE2      PHE 112  27.232   0.779  14.049
  820    HE2  PHE 112           HE1      PHE 112  31.002   2.078  15.663
  821    HZ   PHE 112           HZ       PHE 112  29.338   0.286  15.286
  822    H    ARG 113           H        ARG 113  29.477   7.821  11.544
  823    HA   ARG 113           HA       ARG 113  27.004   8.930  10.502
  824    HB2  ARG 113           HB2      ARG 113  29.889   9.975  10.374
  825    HB3  ARG 113           HB3      ARG 113  28.505  10.868   9.773
  826    HG2  ARG 113           HG2      ARG 113  27.507  10.845  12.068
  827    HG3  ARG 113           HG3      ARG 113  29.003  10.088  12.668
  828    HD2  ARG 113           HD2      ARG 113  30.332  11.972  12.038
  829    HD3  ARG 113           HD3      ARG 113  28.982  12.729  11.166
  830    HE   ARG 113           HE       ARG 113  27.996  12.482  13.713
  831   HH11  ARG 113          HH11      ARG 113  30.981  13.957  12.440
  832   HH12  ARG 113          HH12      ARG 113  31.013  15.222  13.610
  833   HH21  ARG 113          HH21      ARG 113  27.938  14.287  15.147
  834   HH22  ARG 113          HH22      ARG 113  29.291  15.367  15.221
  835    H    THR 114           H        THR 114  30.046   7.939   8.860
  836    HA   THR 114           HA       THR 114  29.225   9.007   6.355
  837    HB   THR 114           HB       THR 114  31.344   6.921   7.038
  838    HG1  THR 114           HG1      THR 114  31.821   8.789   8.054
  839   HG21  THR 114          HG21      THR 114  30.939   6.824   4.639
  840   HG22  THR 114          HG22      THR 114  30.980   8.600   4.514
  841   HG23  THR 114          HG23      THR 114  32.451   7.690   4.927
  842    H    VAL 115           H        VAL 115  28.990   5.700   7.740
  843    HA   VAL 115           HA       VAL 115  28.340   4.523   5.179
  844    HB   VAL 115           HB       VAL 115  27.914   3.408   7.994
  845   HG11  VAL 115          HG11      VAL 115  27.832   2.028   5.260
  846   HG12  VAL 115          HG12      VAL 115  27.856   1.182   6.827
  847   HG13  VAL 115          HG13      VAL 115  26.473   2.194   6.396
  848   HG21  VAL 115          HG21      VAL 115  30.149   3.125   5.955
  849   HG22  VAL 115          HG22      VAL 115  30.282   3.812   7.543
  850   HG23  VAL 115          HG23      VAL 115  29.990   2.075   7.391
  851    H    ARG 116           H        ARG 116  26.465   5.573   8.005
  852    HA   ARG 116           HA       ARG 116  23.832   5.285   7.143
  853    HB2  ARG 116           HB2      ARG 116  24.387   6.037   9.323
  854    HB3  ARG 116           HB3      ARG 116  25.451   7.284   8.727
  855    HG2  ARG 116           HG2      ARG 116  23.246   8.435   7.839
  856    HG3  ARG 116           HG3      ARG 116  22.477   7.350   9.024
  857    HD2  ARG 116           HD2      ARG 116  22.903   9.185  10.292
  858    HD3  ARG 116           HD3      ARG 116  24.388   8.203  10.589
  859    HE   ARG 116           HE       ARG 116  25.172   9.707   8.485
  860   HH11  ARG 116          HH11      ARG 116  23.756  10.702  11.625
  861   HH12  ARG 116          HH12      ARG 116  24.484  12.273  11.563
  862   HH21  ARG 116          HH21      ARG 116  26.033  11.823   8.411
  863   HH22  ARG 116          HH22      ARG 116  25.778  12.920   9.711
  864    H    GLY 117           H        GLY 117  26.052   8.097   6.345
  865    HA2  GLY 117           HA2      GLY 117  24.093   9.420   4.783
  866    HA3  GLY 117           HA3      GLY 117  25.853   9.651   4.644
  867    H    GLN 118           H        GLN 118  26.701   7.134   3.752
  868    HA   GLN 118           HA       GLN 118  25.990   7.320   1.005
  869    HB2  GLN 118           HB2      GLN 118  27.483   5.113   2.494
  870    HB3  GLN 118           HB3      GLN 118  27.354   5.259   0.736
  871    HG2  GLN 118           HG2      GLN 118  28.165   7.797   1.339
  872    HG3  GLN 118           HG3      GLN 118  28.920   6.936   2.670
  873   HE21  GLN 118          HE22      GLN 118  30.610   5.228   2.124
  874   HE22  GLN 118          HE21      GLN 118  31.351   5.290   0.544
  875    H    VAL 119           H        VAL 119  24.826   5.207   3.578
  876    HA   VAL 119           HA       VAL 119  23.227   3.482   1.918
  877    HB   VAL 119           HB       VAL 119  23.085   4.314   4.854
  878   HG11  VAL 119          HG11      VAL 119  20.807   3.768   4.268
  879   HG12  VAL 119          HG12      VAL 119  21.336   2.275   3.450
  880   HG13  VAL 119          HG13      VAL 119  21.527   2.456   5.215
  881   HG21  VAL 119          HG21      VAL 119  23.923   2.034   5.243
  882   HG22  VAL 119          HG22      VAL 119  23.714   1.610   3.532
  883   HG23  VAL 119          HG23      VAL 119  24.976   2.750   4.011
  884    H    LYS 120           H        LYS 120  22.592   6.682   3.555
  885    HA   LYS 120           HA       LYS 120  19.850   6.638   2.975
  886    HB2  LYS 120           HB2      LYS 120  19.707   8.688   3.835
  887    HB3  LYS 120           HB3      LYS 120  21.237   8.186   4.516
  888    HG2  LYS 120           HG2      LYS 120  22.412   9.842   3.571
  889    HG3  LYS 120           HG3      LYS 120  21.606   9.777   2.036
  890    HD2  LYS 120           HD2      LYS 120  20.328  10.916   4.547
  891    HD3  LYS 120           HD3      LYS 120  21.224  11.903   3.395
  892    HE2  LYS 120           HE2      LYS 120  18.932  10.152   2.415
  893    HE3  LYS 120           HE3      LYS 120  18.570  11.680   3.233
  894    HZ1  LYS 120           HZ1      LYS 120  18.703  11.866   0.798
  895    HZ2  LYS 120           HZ2      LYS 120  19.774  12.860   1.547
  896    HZ3  LYS 120           HZ3      LYS 120  20.301  11.495   0.812
  897    H    GLU 121           H        GLU 121  22.523   7.788   0.947
  898    HA   GLU 121           HA       GLU 121  20.806   8.773  -1.116
  899    HB2  GLU 121           HB2      GLU 121  23.665   7.692  -1.270
  900    HB3  GLU 121           HB3      GLU 121  22.838   8.486  -2.606
  901    HG2  GLU 121           HG2      GLU 121  23.561   9.745   0.063
  902    HG3  GLU 121           HG3      GLU 121  24.310  10.044  -1.504
  903    H    ARG 122           H        ARG 122  22.219   5.458  -0.563
  904    HA   ARG 122           HA       ARG 122  21.078   4.420  -3.018
  905    HB2  ARG 122           HB2      ARG 122  21.979   3.074  -0.433
  906    HB3  ARG 122           HB3      ARG 122  21.162   2.224  -1.742
  907    HG2  ARG 122           HG2      ARG 122  23.422   1.828  -2.103
  908    HG3  ARG 122           HG3      ARG 122  22.877   2.956  -3.353
  909    HD2  ARG 122           HD2      ARG 122  23.894   4.824  -2.050
  910    HD3  ARG 122           HD3      ARG 122  24.490   3.624  -0.867
  911    HE   ARG 122           HE       ARG 122  25.395   2.771  -3.365
  912   HH11  ARG 122          HH21      ARG 122  25.820   5.710  -1.401
  913   HH12  ARG 122          HH22      ARG 122  27.432   6.019  -1.964
  914   HH21  ARG 122          HH11      ARG 122  27.539   3.201  -4.118
  915   HH22  ARG 122          HH12      ARG 122  28.407   4.578  -3.548
  916    H    VAL 123           H        VAL 123  19.804   4.526   0.365
  917    HA   VAL 123           HA       VAL 123  17.321   3.375  -0.132
  918    HB   VAL 123           HB       VAL 123  18.142   5.620   1.752
  919   HG11  VAL 123          HG11      VAL 123  15.781   5.802   1.604
  920   HG12  VAL 123          HG12      VAL 123  15.575   4.028   1.673
  921   HG13  VAL 123          HG13      VAL 123  16.157   4.936   3.084
  922   HG21  VAL 123          HG21      VAL 123  17.605   2.674   2.362
  923   HG22  VAL 123          HG22      VAL 123  19.241   3.336   2.104
  924   HG23  VAL 123          HG23      VAL 123  18.268   3.899   3.454
  925    H    GLU 124           H        GLU 124  18.171   6.861  -0.406
  926    HA   GLU 124           HA       GLU 124  15.606   7.602  -1.272
  927    HB2  GLU 124           HB2      GLU 124  17.201   8.977  -0.192
  928    HB3  GLU 124           HB3      GLU 124  18.290   8.944  -1.615
  929    HG2  GLU 124           HG2      GLU 124  16.502  10.003  -2.955
  930    HG3  GLU 124           HG3      GLU 124  15.434  10.004  -1.529
  931    H    ASN 125           H        ASN 125  18.430   6.515  -3.134
  932    HA   ASN 125           HA       ASN 125  17.367   7.014  -5.731
  933    HB2  ASN 125           HB2      ASN 125  19.446   5.144  -4.627
  934    HB3  ASN 125           HB3      ASN 125  18.826   4.852  -6.238
  935   HD21  ASN 125          HD22      ASN 125  20.502   7.320  -4.257
  936   HD22  ASN 125          HD21      ASN 125  21.196   8.185  -5.621
  937    H    LEU 126           H        LEU 126  17.151   4.109  -3.619
  938    HA   LEU 126           HA       LEU 126  15.518   2.545  -5.367
  939    HB2  LEU 126           HB2      LEU 126  16.219   1.239  -3.799
  940    HB3  LEU 126           HB3      LEU 126  16.363   2.509  -2.582
  941    HG   LEU 126           HG       LEU 126  13.586   1.538  -3.071
  942   HD11  LEU 126          HD11      LEU 126  15.765  -0.157  -1.892
  943   HD12  LEU 126          HD12      LEU 126  14.038  -0.485  -1.643
  944   HD13  LEU 126          HD13      LEU 126  14.717  -0.537  -3.281
  945   HD21  LEU 126          HD21      LEU 126  13.435   1.647  -0.654
  946   HD22  LEU 126          HD22      LEU 126  15.189   1.916  -0.517
  947   HD23  LEU 126          HD23      LEU 126  14.154   3.143  -1.251
  948    H    ILE 127           H        ILE 127  14.663   4.897  -2.899
  949    HA   ILE 127           HA       ILE 127  11.801   4.780  -3.166
  950    HB   ILE 127           HB       ILE 127  13.885   6.634  -2.106
  951   HG12  ILE 127          HG12      ILE 127  11.394   5.829  -0.631
  952   HG13  ILE 127          HG13      ILE 127  12.421   4.485  -1.133
  953   HG21  ILE 127          HG21      ILE 127  12.218   8.233  -1.259
  954   HG22  ILE 127          HG22      ILE 127  12.511   8.331  -3.005
  955   HG23  ILE 127          HG23      ILE 127  11.032   7.556  -2.392
  956   HD11  ILE 127          HD11      ILE 127  13.849   6.791   0.168
  957   HD12  ILE 127          HD12      ILE 127  12.803   5.722   1.176
  958   HD13  ILE 127          HD13      ILE 127  14.116   5.041   0.203
  959    H    ALA 128           H        ALA 128  14.294   6.793  -4.894
  960    HA   ALA 128           HA       ALA 128  12.423   8.243  -6.404
  961    HB1  ALA 128           HB1      ALA 128  14.281   8.822  -7.872
  962    HB2  ALA 128           HB2      ALA 128  14.826   8.843  -6.177
  963    HB3  ALA 128           HB3      ALA 128  15.250   7.477  -7.244
  964    H    LYS 129           H        LYS 129  13.647   4.936  -6.942
  965    HA   LYS 129           HA       LYS 129  12.590   4.732  -9.593
  966    HB2  LYS 129           HB2      LYS 129  13.142   2.525  -7.572
  967    HB3  LYS 129           HB3      LYS 129  12.881   2.299  -9.297
  968    HG2  LYS 129           HG2      LYS 129  14.938   3.442  -9.864
  969    HG3  LYS 129           HG3      LYS 129  15.178   3.954  -8.186
  970    HD2  LYS 129           HD2      LYS 129  15.250   1.569  -7.480
  971    HD3  LYS 129           HD3      LYS 129  15.217   1.107  -9.208
  972    HE2  LYS 129           HE2      LYS 129  17.239   2.707  -9.472
  973    HE3  LYS 129           HE3      LYS 129  17.331   2.710  -7.704
  974    HZ1  LYS 129           HZ1      LYS 129  18.823   1.067  -8.669
  975    HZ2  LYS 129           HZ2      LYS 129  17.694   0.260  -7.805
  976    HZ3  LYS 129           HZ3      LYS 129  17.610   0.311  -9.449
  977    H    ILE 130           H        ILE 130  11.287   3.971  -6.336
  978    HA   ILE 130           HA       ILE 130   8.881   2.887  -7.554
  979    HB   ILE 130           HB       ILE 130   8.499   2.026  -5.266
  980   HG12  ILE 130          HG12      ILE 130  10.986   3.402  -4.549
  981   HG13  ILE 130          HG13      ILE 130   9.474   3.270  -3.693
  982   HG21  ILE 130          HG21      ILE 130   9.917   0.160  -5.633
  983   HG22  ILE 130          HG22      ILE 130   9.581   0.808  -7.213
  984   HG23  ILE 130          HG23      ILE 130  11.154   1.152  -6.449
  985   HD11  ILE 130          HD11      ILE 130  11.573   1.079  -3.989
  986   HD12  ILE 130          HD12      ILE 130  11.138   1.966  -2.519
  987   HD13  ILE 130          HD13      ILE 130   9.975   0.836  -3.251
  988    H    SER 131           H        SER 131   9.579   5.399  -5.101
  989    HA   SER 131           HA       SER 131   6.884   5.613  -4.286
  990    HB2  SER 131           HB2      SER 131   9.214   7.541  -3.986
  991    HB3  SER 131           HB3      SER 131   7.706   7.557  -3.055
  992    HG   SER 131           HG       SER 131   9.207   6.355  -1.856
  Start of MODEL    2
    1    H    MET   1           H        MET   1   1.427  -2.198   2.758
    2    HA   MET   1           HA       MET   1   1.081  -0.838   0.169
    3    HB2  MET   1           HB2      MET   1   1.265   0.489   2.492
    4    HB3  MET   1           HB3      MET   1   2.981   0.150   2.330
    5    HG2  MET   1           HG2      MET   1   2.366   2.353   1.454
    6    HG3  MET   1           HG3      MET   1   2.985   1.343   0.153
    7    HE1  MET   1           HE1      MET   1   2.019   3.137  -1.613
    8    HE2  MET   1           HE2      MET   1   0.331   3.684  -1.614
    9    HE3  MET   1           HE3      MET   1   1.395   4.104  -0.253
   10    H    LYS   2           H        LYS   2   3.497  -0.445  -0.875
   11    HA   LYS   2           HA       LYS   2   4.381  -3.072  -1.483
   12    HB2  LYS   2           HB2      LYS   2   6.097  -0.580  -1.926
   13    HB3  LYS   2           HB3      LYS   2   6.177  -2.115  -2.758
   14    HG2  LYS   2           HG2      LYS   2   5.033  -0.972  -4.337
   15    HG3  LYS   2           HG3      LYS   2   3.682  -1.602  -3.405
   16    HD2  LYS   2           HD2      LYS   2   3.011   0.631  -3.564
   17    HD3  LYS   2           HD3      LYS   2   3.931   0.720  -2.075
   18    HE2  LYS   2           HE2      LYS   2   4.876   2.516  -3.051
   19    HE3  LYS   2           HE3      LYS   2   5.974   1.297  -3.721
   20    HZ1  LYS   2           HZ1      LYS   2   3.570   2.403  -5.110
   21    HZ2  LYS   2           HZ2      LYS   2   5.122   2.764  -5.468
   22    HZ3  LYS   2           HZ3      LYS   2   4.548   1.250  -5.745
   23    H    LYS   3           H        LYS   3   5.700  -4.461  -0.302
   24    HA   LYS   3           HA       LYS   3   6.823  -3.294   2.174
   25    HB2  LYS   3           HB2      LYS   3   6.694  -6.211   1.486
   26    HB3  LYS   3           HB3      LYS   3   6.892  -5.465   3.066
   27    HG2  LYS   3           HG2      LYS   3   4.570  -4.659   2.992
   28    HG3  LYS   3           HG3      LYS   3   4.378  -5.298   1.351
   29    HD2  LYS   3           HD2      LYS   3   3.308  -6.721   3.015
   30    HD3  LYS   3           HD3      LYS   3   4.550  -7.560   2.081
   31    HE2  LYS   3           HE2      LYS   3   6.106  -7.521   3.906
   32    HE3  LYS   3           HE3      LYS   3   5.089  -6.406   4.855
   33    HZ1  LYS   3           HZ1      LYS   3   4.907  -8.769   5.558
   34    HZ2  LYS   3           HZ2      LYS   3   3.460  -8.161   5.089
   35    HZ3  LYS   3           HZ3      LYS   3   4.282  -9.166   4.085
   36    H    VAL   4           H        VAL   4   8.892  -3.050   2.570
   37    HA   VAL   4           HA       VAL   4  10.782  -4.080   0.550
   38    HB   VAL   4           HB       VAL   4  11.229  -1.676   2.314
   39   HG11  VAL   4          HG11      VAL   4  13.309  -2.553   1.511
   40   HG12  VAL   4          HG12      VAL   4  12.669  -2.859  -0.080
   41   HG13  VAL   4          HG13      VAL   4  12.936  -1.175   0.493
   42   HG21  VAL   4          HG21      VAL   4  10.808  -0.329   0.167
   43   HG22  VAL   4          HG22      VAL   4  10.038  -1.785  -0.488
   44   HG23  VAL   4          HG23      VAL   4   9.372  -1.020   0.948
   45    H    MET   5           H        MET   5  12.914  -4.729   1.387
   46    HA   MET   5           HA       MET   5  12.968  -5.369   4.268
   47    HB2  MET   5           HB2      MET   5  12.468  -7.244   2.170
   48    HB3  MET   5           HB3      MET   5  14.161  -7.465   2.637
   49    HG2  MET   5           HG2      MET   5  11.769  -7.523   4.488
   50    HG3  MET   5           HG3      MET   5  12.708  -8.914   3.922
   51    HE1  MET   5           HE1      MET   5  13.597  -8.874   7.631
   52    HE2  MET   5           HE2      MET   5  12.047  -8.542   6.812
   53    HE3  MET   5           HE3      MET   5  13.110  -9.828   6.200
   54    H    PHE   6           H        PHE   6  15.033  -5.135   5.106
   55    HA   PHE   6           HA       PHE   6  17.227  -4.518   3.215
   56    HB2  PHE   6           HB2      PHE   6  16.647  -3.157   5.830
   57    HB3  PHE   6           HB3      PHE   6  18.105  -2.947   4.855
   58    HD1  PHE   6           HD2      PHE   6  14.456  -2.387   4.985
   59    HD2  PHE   6           HD1      PHE   6  18.072  -1.655   2.772
   60    HE1  PHE   6           HE2      PHE   6  13.220  -0.922   3.466
   61    HE2  PHE   6           HE1      PHE   6  16.854  -0.043   1.338
   62    HZ   PHE   6           HZ       PHE   6  14.435   0.366   1.690
   63    H    VAL   7           H        VAL   7  18.809  -6.149   3.506
   64    HA   VAL   7           HA       VAL   7  18.640  -7.788   6.005
   65    HB   VAL   7           HB       VAL   7  19.586  -8.685   3.268
   66   HG11  VAL   7          HG11      VAL   7  19.046 -10.909   4.042
   67   HG12  VAL   7          HG12      VAL   7  20.217 -10.142   5.122
   68   HG13  VAL   7          HG13      VAL   7  18.515 -10.276   5.611
   69   HG21  VAL   7          HG21      VAL   7  16.720  -8.777   4.293
   70   HG22  VAL   7          HG22      VAL   7  17.299  -7.911   2.847
   71   HG23  VAL   7          HG23      VAL   7  17.349  -9.671   2.893
   72    H    CYS   8           H        CYS   8  20.411  -7.469   7.372
   73    HA   CYS   8           HA       CYS   8  22.815  -6.275   6.220
   74    HB2  CYS   8           HB2      CYS   8  21.682  -6.188   8.822
   75    HB3  CYS   8           HB3      CYS   8  23.100  -7.192   9.010
   76    HG   CYS   8           HG       CYS   8  24.363  -5.231   9.459
   77    H    LYS   9           H        LYS   9  24.891  -6.913   7.085
   78    HA   LYS   9           HA       LYS   9  25.579  -9.605   7.787
   79    HB2  LYS   9           HB2      LYS   9  25.627  -9.776   5.274
   80    HB3  LYS   9           HB3      LYS   9  26.636  -8.334   5.195
   81    HG2  LYS   9           HG2      LYS   9  28.006 -10.271   4.854
   82    HG3  LYS   9           HG3      LYS   9  28.454  -9.547   6.403
   83    HD2  LYS   9           HD2      LYS   9  27.085 -11.266   7.587
   84    HD3  LYS   9           HD3      LYS   9  26.641 -11.993   6.042
   85    HE2  LYS   9           HE2      LYS   9  29.500 -11.727   7.111
   86    HE3  LYS   9           HE3      LYS   9  28.487 -13.153   7.330
   87    HZ1  LYS   9           HZ1      LYS   9  28.413 -13.406   4.901
   88    HZ2  LYS   9           HZ2      LYS   9  29.423 -12.128   4.702
   89    HZ3  LYS   9           HZ3      LYS   9  29.943 -13.467   5.467
   90    H    ARG  10           H        ARG  10  27.130  -9.128   9.388
   91    HA   ARG  10           HA       ARG  10  28.426  -7.942  10.775
   92    HB2  ARG  10           HB2      ARG  10  29.955  -7.621   8.874
   93    HB3  ARG  10           HB3      ARG  10  29.170  -6.097   8.458
   94    HG2  ARG  10           HG2      ARG  10  30.014  -4.963  10.268
   95    HG3  ARG  10           HG3      ARG  10  30.310  -6.426  11.242
   96    HD2  ARG  10           HD2      ARG  10  31.819  -5.788   8.709
   97    HD3  ARG  10           HD3      ARG  10  32.317  -5.178  10.309
   98    HE   ARG  10           HE       ARG  10  32.059  -7.948  10.582
   99   HH11  ARG  10          HH21      ARG  10  33.984  -5.660   8.640
  100   HH12  ARG  10          HH22      ARG  10  35.410  -6.653   8.630
  101   HH21  ARG  10          HH11      ARG  10  33.943  -9.300  10.522
  102   HH22  ARG  10          HH12      ARG  10  35.372  -8.780   9.710
  103    H    ASN  11           H        ASN  11  28.633  -5.508  11.641
  104    HA   ASN  11           HA       ASN  11  26.502  -5.151  13.153
  105    HB2  ASN  11           HB2      ASN  11  28.796  -4.046  13.271
  106    HB3  ASN  11           HB3      ASN  11  28.161  -2.775  12.228
  107   HD21  ASN  11          HD22      ASN  11  29.127  -1.908  14.553
  108   HD22  ASN  11          HD21      ASN  11  27.850  -1.525  15.702
  109    H    SER  12           H        SER  12  24.622  -4.144  13.300
  110    HA   SER  12           HA       SER  12  22.847  -4.065  11.274
  111    HB2  SER  12           HB2      SER  12  22.698  -2.434  13.838
  112    HB3  SER  12           HB3      SER  12  21.377  -3.254  12.983
  113    HG   SER  12           HG       SER  12  22.831  -4.270  14.934
  114    H    CYS  13           H        CYS  13  24.978  -1.452  12.087
  115    HA   CYS  13           HA       CYS  13  23.499   0.820  11.639
  116    HB2  CYS  13           HB2      CYS  13  26.431   0.548  10.887
  117    HB3  CYS  13           HB3      CYS  13  25.623   1.951  11.603
  118    HG   CYS  13           HG       CYS  13  27.334   0.799  13.278
  119    H    ARG  14           H        ARG  14  24.094  -1.402   9.132
  120    HA   ARG  14           HA       ARG  14  23.879   0.804   7.115
  121    HB2  ARG  14           HB2      ARG  14  24.949  -0.613   5.449
  122    HB3  ARG  14           HB3      ARG  14  25.966  -0.082   6.778
  123    HG2  ARG  14           HG2      ARG  14  25.764  -2.391   7.809
  124    HG3  ARG  14           HG3      ARG  14  24.903  -2.901   6.344
  125    HD2  ARG  14           HD2      ARG  14  26.893  -2.145   4.990
  126    HD3  ARG  14           HD3      ARG  14  27.758  -1.791   6.492
  127    HE   ARG  14           HE       ARG  14  26.954  -4.426   6.801
  128   HH11  ARG  14          HH21      ARG  14  28.960  -2.634   4.439
  129   HH12  ARG  14          HH22      ARG  14  29.819  -4.034   3.915
  130   HH21  ARG  14          HH11      ARG  14  28.144  -6.249   6.133
  131   HH22  ARG  14          HH12      ARG  14  29.419  -6.127   4.957
  132    H    SER  15           H        SER  15  22.705  -2.733   7.444
  133    HA   SER  15           HA       SER  15  20.711  -1.975   5.464
  134    HB2  SER  15           HB2      SER  15  19.842  -4.163   5.747
  135    HB3  SER  15           HB3      SER  15  21.616  -4.313   5.842
  136    HG   SER  15           HG       SER  15  19.967  -5.212   7.637
  137    H    GLN  16           H        GLN  16  20.609  -2.544   9.032
  138    HA   GLN  16           HA       GLN  16  17.783  -2.016   8.977
  139    HB2  GLN  16           HB2      GLN  16  19.478  -2.237  11.480
  140    HB3  GLN  16           HB3      GLN  16  17.728  -2.441  11.232
  141    HG2  GLN  16           HG2      GLN  16  18.515  -4.283   9.479
  142    HG3  GLN  16           HG3      GLN  16  19.950  -4.306  10.478
  143   HE21  GLN  16          HE22      GLN  16  16.378  -4.045  11.303
  144   HE22  GLN  16          HE21      GLN  16  16.428  -5.401  12.430
  145    H    MET  17           H        MET  17  20.612   0.024   9.330
  146    HA   MET  17           HA       MET  17  19.183   2.460   9.958
  147    HB2  MET  17           HB2      MET  17  21.646   2.459   9.990
  148    HB3  MET  17           HB3      MET  17  21.645   1.893   8.280
  149    HG2  MET  17           HG2      MET  17  22.258   4.167   8.319
  150    HG3  MET  17           HG3      MET  17  20.749   4.004   7.482
  151    HE1  MET  17           HE1      MET  17  18.420   6.141  10.196
  152    HE2  MET  17           HE2      MET  17  18.338   5.547   8.535
  153    HE3  MET  17           HE3      MET  17  18.352   4.382   9.891
  154    H    ALA  18           H        ALA  18  19.928   0.712   6.880
  155    HA   ALA  18           HA       ALA  18  18.819   2.703   5.239
  156    HB1  ALA  18           HB1      ALA  18  18.898   1.014   3.499
  157    HB2  ALA  18           HB2      ALA  18  20.284   0.726   4.585
  158    HB3  ALA  18           HB3      ALA  18  18.846  -0.297   4.684
  159    H    GLU  19           H        GLU  19  17.249  -0.043   6.921
  160    HA   GLU  19           HA       GLU  19  14.608   0.550   6.017
  161    HB2  GLU  19           HB2      GLU  19  15.297  -1.478   7.272
  162    HB3  GLU  19           HB3      GLU  19  15.425  -0.502   8.734
  163    HG2  GLU  19           HG2      GLU  19  12.851   0.106   7.804
  164    HG3  GLU  19           HG3      GLU  19  13.053  -1.577   7.359
  165    H    GLY  20           H        GLY  20  16.616   2.085   8.653
  166    HA2  GLY  20           HA2      GLY  20  14.412   3.457   9.850
  167    HA3  GLY  20           HA3      GLY  20  16.140   3.853  10.002
  168    H    PHE  21           H        PHE  21  16.840   4.365   7.356
  169    HA   PHE  21           HA       PHE  21  15.702   7.002   6.856
  170    HB2  PHE  21           HB2      PHE  21  17.576   5.164   5.356
  171    HB3  PHE  21           HB3      PHE  21  16.913   6.604   4.586
  172    HD1  PHE  21           HD1      PHE  21  17.016   8.830   6.175
  173    HD2  PHE  21           HD2      PHE  21  19.790   5.512   6.170
  174    HE1  PHE  21           HE1      PHE  21  18.788  10.288   7.089
  175    HE2  PHE  21           HE2      PHE  21  21.529   6.960   7.007
  176    HZ   PHE  21           HZ       PHE  21  21.051   9.382   7.518
  177    H    ALA  22           H        ALA  22  15.100   3.697   5.518
  178    HA   ALA  22           HA       ALA  22  13.472   4.758   3.419
  179    HB1  ALA  22           HB1      ALA  22  14.603   2.612   3.190
  180    HB2  ALA  22           HB2      ALA  22  13.723   1.962   4.571
  181    HB3  ALA  22           HB3      ALA  22  12.843   2.366   3.075
  182    H    LYS  23           H        LYS  23  12.576   3.520   6.714
  183    HA   LYS  23           HA       LYS  23   9.770   3.919   6.225
  184    HB2  LYS  23           HB2      LYS  23   9.428   3.407   8.492
  185    HB3  LYS  23           HB3      LYS  23  10.778   2.395   7.954
  186    HG2  LYS  23           HG2      LYS  23  12.377   3.870   9.061
  187    HG3  LYS  23           HG3      LYS  23  11.091   4.986   9.541
  188    HD2  LYS  23           HD2      LYS  23  10.063   3.215  10.929
  189    HD3  LYS  23           HD3      LYS  23  11.358   2.088  10.456
  190    HE2  LYS  23           HE2      LYS  23  13.049   3.620  11.467
  191    HE3  LYS  23           HE3      LYS  23  11.776   4.766  11.892
  192    HZ1  LYS  23           HZ1      LYS  23  11.895   1.994  12.961
  193    HZ2  LYS  23           HZ2      LYS  23  12.509   3.310  13.737
  194    HZ3  LYS  23           HZ3      LYS  23  10.891   3.194  13.458
  195    H    THR  24           H        THR  24  12.326   6.090   6.909
  196    HA   THR  24           HA       THR  24  10.696   8.276   7.927
  197    HB   THR  24           HB       THR  24  13.547   7.633   7.222
  198    HG1  THR  24           HG1      THR  24  13.161   7.136   9.207
  199   HG21  THR  24          HG21      THR  24  12.748  10.474   7.793
  200   HG22  THR  24          HG22      THR  24  14.401   9.785   7.762
  201   HG23  THR  24          HG23      THR  24  13.447   9.810   6.279
  202    H    LEU  25           H        LEU  25  12.475   7.504   4.932
  203    HA   LEU  25           HA       LEU  25  11.571   9.881   3.587
  204    HB2  LEU  25           HB2      LEU  25  13.334   7.550   2.895
  205    HB3  LEU  25           HB3      LEU  25  12.991   8.836   1.725
  206    HG   LEU  25           HG       LEU  25  14.331   9.190   4.415
  207   HD11  LEU  25          HD11      LEU  25  15.740   7.926   2.813
  208   HD12  LEU  25          HD12      LEU  25  15.463   9.194   1.593
  209   HD13  LEU  25          HD13      LEU  25  16.395   9.546   3.070
  210   HD21  LEU  25          HD21      LEU  25  13.211  11.276   3.754
  211   HD22  LEU  25          HD22      LEU  25  14.952  11.450   3.536
  212   HD23  LEU  25          HD23      LEU  25  13.915  11.162   2.124
  213    H    GLY  26           H        GLY  26  10.717   6.472   3.567
  214    HA2  GLY  26           HA2      GLY  26   9.035   6.620   1.130
  215    HA3  GLY  26           HA3      GLY  26   9.587   5.180   2.019
  216    H    ALA  27           H        ALA  27   8.440   7.711   4.035
  217    HA   ALA  27           HA       ALA  27   6.579   6.013   5.293
  218    HB1  ALA  27           HB1      ALA  27   6.846   9.060   5.460
  219    HB2  ALA  27           HB2      ALA  27   6.102   7.997   6.671
  220    HB3  ALA  27           HB3      ALA  27   7.849   7.913   6.362
  221    H    GLY  28           H        GLY  28   4.552   5.497   4.732
  222    HA2  GLY  28           HA2      GLY  28   2.379   5.757   3.991
  223    HA3  GLY  28           HA3      GLY  28   2.723   7.452   3.577
  224    H    LYS  29           H        LYS  29   5.043   5.416   2.135
  225    HA   LYS  29           HA       LYS  29   3.586   5.353  -0.435
  226    HB2  LYS  29           HB2      LYS  29   6.478   5.931   0.203
  227    HB3  LYS  29           HB3      LYS  29   5.834   5.736  -1.427
  228    HG2  LYS  29           HG2      LYS  29   4.852   7.830   0.547
  229    HG3  LYS  29           HG3      LYS  29   6.141   8.126  -0.622
  230    HD2  LYS  29           HD2      LYS  29   4.529   7.574  -2.476
  231    HD3  LYS  29           HD3      LYS  29   3.236   7.415  -1.263
  232    HE2  LYS  29           HE2      LYS  29   3.625   9.762  -0.541
  233    HE3  LYS  29           HE3      LYS  29   4.910   9.924  -1.745
  234    HZ1  LYS  29           HZ1      LYS  29   2.828  10.841  -2.555
  235    HZ2  LYS  29           HZ2      LYS  29   3.239   9.558  -3.478
  236    HZ3  LYS  29           HZ3      LYS  29   2.048   9.422  -2.364
  237    H    ILE  30           H        ILE  30   5.801   3.796   1.863
  238    HA   ILE  30           HA       ILE  30   5.318   1.167   0.596
  239    HB   ILE  30           HB       ILE  30   7.722   0.634   0.927
  240   HG12  ILE  30          HG12      ILE  30   8.348   3.588   1.062
  241   HG13  ILE  30          HG13      ILE  30   8.072   2.686   2.550
  242   HG21  ILE  30          HG21      ILE  30   8.458   1.564  -1.123
  243   HG22  ILE  30          HG22      ILE  30   6.698   1.366  -1.264
  244   HG23  ILE  30          HG23      ILE  30   7.393   2.978  -1.004
  245   HD11  ILE  30          HD11      ILE  30  10.229   2.080   0.495
  246   HD12  ILE  30          HD12      ILE  30  10.437   2.777   2.113
  247   HD13  ILE  30          HD13      ILE  30   9.874   1.107   1.964
  248    H    ALA  31           H        ALA  31   6.312  -0.518   2.085
  249    HA   ALA  31           HA       ALA  31   5.960   0.136   4.982
  250    HB1  ALA  31           HB1      ALA  31   4.106  -1.362   4.261
  251    HB2  ALA  31           HB2      ALA  31   5.281  -2.458   3.491
  252    HB3  ALA  31           HB3      ALA  31   5.276  -2.260   5.253
  253    H    VAL  32           H        VAL  32   7.758  -0.612   6.168
  254    HA   VAL  32           HA       VAL  32  10.009  -1.620   4.556
  255    HB   VAL  32           HB       VAL  32  10.259   0.424   6.747
  256   HG11  VAL  32          HG11      VAL  32  12.214  -0.649   5.460
  257   HG12  VAL  32          HG12      VAL  32  11.693   0.418   4.122
  258   HG13  VAL  32          HG13      VAL  32  12.172   1.095   5.706
  259   HG21  VAL  32          HG21      VAL  32   8.617   1.656   5.574
  260   HG22  VAL  32          HG22      VAL  32  10.133   2.244   4.881
  261   HG23  VAL  32          HG23      VAL  32   9.181   1.076   3.998
  262    H    THR  33           H        THR  33  11.415  -3.107   5.551
  263    HA   THR  33           HA       THR  33  11.059  -3.851   8.394
  264    HB   THR  33           HB       THR  33  11.174  -6.138   6.570
  265    HG1  THR  33           HG1      THR  33   9.792  -4.946   5.260
  266   HG21  THR  33          HG21      THR  33   9.194  -5.410   8.762
  267   HG22  THR  33          HG22      THR  33   9.378  -7.007   7.997
  268   HG23  THR  33          HG23      THR  33  10.697  -6.344   8.978
  269    H    SER  34           H        SER  34  12.950  -5.268   9.154
  270    HA   SER  34           HA       SER  34  15.066  -5.716   7.207
  271    HB2  SER  34           HB2      SER  34  16.753  -4.423   8.405
  272    HB3  SER  34           HB3      SER  34  15.509  -3.453   7.661
  273    HG   SER  34           HG       SER  34  14.502  -3.183   9.705
  274    H    CYS  35           H        CYS  35  17.007  -6.786   8.158
  275    HA   CYS  35           HA       CYS  35  16.684  -8.123  10.739
  276    HB2  CYS  35           HB2      CYS  35  17.008 -10.399   9.561
  277    HB3  CYS  35           HB3      CYS  35  15.399  -9.658   9.481
  278    HG   CYS  35           HG       CYS  35  15.892 -10.848   7.234
  279    H    GLY  36           H        GLY  36  18.685  -9.407  11.211
  280    HA2  GLY  36           HA2      GLY  36  20.951  -9.993  10.809
  281    HA3  GLY  36           HA3      GLY  36  21.068  -8.766   9.530
  282    H    LEU  37           H        LEU  37  20.209  -8.892  13.099
  283    HA   LEU  37           HA       LEU  37  21.229  -6.182  13.402
  284    HB2  LEU  37           HB2      LEU  37  18.872  -7.048  14.231
  285    HB3  LEU  37           HB3      LEU  37  19.805  -7.859  15.486
  286    HG   LEU  37           HG       LEU  37  20.772  -5.513  16.020
  287   HD11  LEU  37          HD11      LEU  37  19.868  -4.437  13.883
  288   HD12  LEU  37          HD12      LEU  37  18.242  -4.649  14.521
  289   HD13  LEU  37          HD13      LEU  37  19.397  -3.594  15.369
  290   HD21  LEU  37          HD21      LEU  37  18.678  -4.990  17.353
  291   HD22  LEU  37          HD22      LEU  37  17.821  -6.216  16.422
  292   HD23  LEU  37          HD23      LEU  37  19.174  -6.694  17.459
  293    H    GLU  38           H        GLU  38  23.299  -7.294  12.807
  294    HA   GLU  38           HA       GLU  38  24.276  -9.600  14.080
  295    HB2  GLU  38           HB2      GLU  38  24.968  -8.223  11.892
  296    HB3  GLU  38           HB3      GLU  38  26.117  -7.475  12.997
  297    HG2  GLU  38           HG2      GLU  38  27.437  -9.206  12.306
  298    HG3  GLU  38           HG3      GLU  38  26.621 -10.074  13.588
  299    H    SER  39           H        SER  39  23.667  -6.828  15.573
  300    HA   SER  39           HA       SER  39  26.029  -6.730  17.361
  301    HB2  SER  39           HB2      SER  39  24.711  -4.652  18.253
  302    HB3  SER  39           HB3      SER  39  25.432  -4.565  16.639
  303    HG   SER  39           HG       SER  39  22.716  -4.928  17.350
  304    H    SER  40           H        SER  40  23.663  -8.632  17.146
  305    HA   SER  40           HA       SER  40  22.424 -10.063  18.334
  306    HB2  SER  40           HB2      SER  40  24.101  -9.301  20.746
  307    HB3  SER  40           HB3      SER  40  23.147 -10.774  20.524
  308    HG   SER  40           HG       SER  40  25.377 -11.103  20.020
  309    H    ARG  41           H        ARG  41  22.572  -6.850  19.701
  310    HA   ARG  41           HA       ARG  41  19.650  -6.870  20.152
  311    HB2  ARG  41           HB2      ARG  41  21.681  -5.518  22.026
  312    HB3  ARG  41           HB3      ARG  41  19.930  -5.370  22.096
  313    HG2  ARG  41           HG2      ARG  41  20.169  -6.904  23.735
  314    HG3  ARG  41           HG3      ARG  41  20.007  -8.019  22.375
  315    HD2  ARG  41           HD2      ARG  41  22.551  -8.113  22.276
  316    HD3  ARG  41           HD3      ARG  41  22.582  -7.079  23.719
  317    HE   ARG  41           HE       ARG  41  20.916  -9.379  24.148
  318   HH11  ARG  41          HH11      ARG  41  24.353  -8.468  23.988
  319   HH12  ARG  41          HH12      ARG  41  24.886  -9.766  24.993
  320   HH21  ARG  41          HH21      ARG  41  21.627 -11.094  25.508
  321   HH22  ARG  41          HH22      ARG  41  23.301 -11.282  25.884
  322    H    VAL  42           H        VAL  42  19.264  -4.120  20.331
  323    HA   VAL  42           HA       VAL  42  20.282  -3.091  17.828
  324    HB   VAL  42           HB       VAL  42  19.244  -1.021  18.571
  325   HG11  VAL  42          HG11      VAL  42  16.917  -1.756  18.670
  326   HG12  VAL  42          HG12      VAL  42  17.822  -2.734  17.522
  327   HG13  VAL  42          HG13      VAL  42  17.412  -3.389  19.123
  328   HG21  VAL  42          HG21      VAL  42  18.600  -2.340  21.238
  329   HG22  VAL  42          HG22      VAL  42  19.803  -1.054  20.982
  330   HG23  VAL  42          HG23      VAL  42  18.085  -0.740  20.696
  331    H    HIS  43           H        HIS  43  21.543  -1.186  17.639
  332    HA   HIS  43           HA       HIS  43  23.930  -1.472  19.390
  333    HB2  HIS  43           HB2      HIS  43  23.976  -2.320  17.053
  334    HB3  HIS  43           HB3      HIS  43  23.745  -0.678  16.472
  335    HD1  HIS  43           HD1      HIS  43  26.308  -2.491  18.852
  336    HD2  HIS  43           HD2      HIS  43  25.934   0.648  16.079
  337    HE1  HIS  43           HE1      HIS  43  28.620  -1.452  18.625
  338    HA   PRO  44           HA       PRO  44  22.269   2.551  20.489
  339    HB2  PRO  44           HB2      PRO  44  24.026   3.326  22.443
  340    HB3  PRO  44           HB3      PRO  44  22.840   2.000  22.691
  341    HG2  PRO  44           HG2      PRO  44  25.710   1.766  21.700
  342    HG3  PRO  44           HG3      PRO  44  24.996   0.940  23.145
  343    HD2  PRO  44           HD2      PRO  44  25.076  -0.389  20.840
  344    HD3  PRO  44           HD3      PRO  44  23.501  -0.373  21.722
  345    H    THR  45           H        THR  45  25.762   2.126  19.578
  346    HA   THR  45           HA       THR  45  26.191   4.844  19.150
  347    HB   THR  45           HB       THR  45  27.474   2.545  17.609
  348    HG1  THR  45           HG1      THR  45  28.874   2.404  19.330
  349   HG21  THR  45          HG21      THR  45  29.455   4.112  17.556
  350   HG22  THR  45          HG22      THR  45  28.081   4.711  16.630
  351   HG23  THR  45          HG23      THR  45  28.407   5.389  18.234
  352    H    ALA  46           H        ALA  46  24.601   2.351  17.112
  353    HA   ALA  46           HA       ALA  46  24.466   4.030  14.754
  354    HB1  ALA  46           HB1      ALA  46  24.180   1.472  14.774
  355    HB2  ALA  46           HB2      ALA  46  22.554   1.751  15.422
  356    HB3  ALA  46           HB3      ALA  46  23.007   2.375  13.816
  357    H    ILE  47           H        ILE  47  22.333   3.329  17.544
  358    HA   ILE  47           HA       ILE  47  20.134   4.895  16.668
  359    HB   ILE  47           HB       ILE  47  21.075   4.060  19.363
  360   HG12  ILE  47          HG12      ILE  47  18.822   3.044  19.433
  361   HG13  ILE  47          HG13      ILE  47  18.563   3.526  17.743
  362   HG21  ILE  47          HG21      ILE  47  20.148   6.268  19.875
  363   HG22  ILE  47          HG22      ILE  47  18.701   5.899  18.903
  364   HG23  ILE  47          HG23      ILE  47  19.028   5.027  20.412
  365   HD11  ILE  47          HD11      ILE  47  20.461   1.989  17.143
  366   HD12  ILE  47          HD12      ILE  47  20.583   1.558  18.880
  367   HD13  ILE  47          HD13      ILE  47  19.107   1.191  17.982
  368    H    ALA  48           H        ALA  48  22.992   5.892  18.648
  369    HA   ALA  48           HA       ALA  48  22.214   8.595  18.856
  370    HB1  ALA  48           HB1      ALA  48  24.010   7.613  20.203
  371    HB2  ALA  48           HB2      ALA  48  25.035   7.449  18.747
  372    HB3  ALA  48           HB3      ALA  48  24.557   9.064  19.334
  373    H    MET  49           H        MET  49  24.202   6.971  16.371
  374    HA   MET  49           HA       MET  49  24.760   9.266  14.794
  375    HB2  MET  49           HB2      MET  49  24.457   6.326  14.098
  376    HB3  MET  49           HB3      MET  49  24.982   7.528  12.928
  377    HG2  MET  49           HG2      MET  49  26.415   7.231  15.588
  378    HG3  MET  49           HG3      MET  49  26.740   6.174  14.243
  379    HE1  MET  49           HE1      MET  49  27.896   8.942  16.098
  380    HE2  MET  49           HE2      MET  49  28.415  10.258  15.008
  381    HE3  MET  49           HE3      MET  49  26.690  10.023  15.367
  382    H    MET  50           H        MET  50  21.813   7.321  15.087
  383    HA   MET  50           HA       MET  50  20.733   8.581  12.649
  384    HB2  MET  50           HB2      MET  50  19.483   6.573  14.537
  385    HB3  MET  50           HB3      MET  50  18.865   7.076  12.968
  386    HG2  MET  50           HG2      MET  50  20.807   5.073  13.602
  387    HG3  MET  50           HG3      MET  50  19.916   5.317  12.137
  388    HE1  MET  50           HE1      MET  50  23.806   4.741  11.197
  389    HE2  MET  50           HE2      MET  50  23.380   4.449  12.893
  390    HE3  MET  50           HE3      MET  50  22.271   3.909  11.610
  391    H    GLU  51           H        GLU  51  20.545   8.860  16.149
  392    HA   GLU  51           HA       GLU  51  18.395  10.701  16.265
  393    HB2  GLU  51           HB2      GLU  51  19.421   9.361  18.178
  394    HB3  GLU  51           HB3      GLU  51  20.826  10.418  18.106
  395    HG2  GLU  51           HG2      GLU  51  19.439  11.183  19.887
  396    HG3  GLU  51           HG3      GLU  51  19.327  12.382  18.612
  397    H    GLU  52           H        GLU  52  21.842  11.032  15.507
  398    HA   GLU  52           HA       GLU  52  22.037  13.844  15.456
  399    HB2  GLU  52           HB2      GLU  52  23.319  11.871  13.537
  400    HB3  GLU  52           HB3      GLU  52  23.720  13.571  13.662
  401    HG2  GLU  52           HG2      GLU  52  24.317  13.043  16.145
  402    HG3  GLU  52           HG3      GLU  52  24.407  11.364  15.597
  403    H    VAL  53           H        VAL  53  20.144  11.753  13.367
  404    HA   VAL  53           HA       VAL  53  19.518  14.025  11.576
  405    HB   VAL  53           HB       VAL  53  19.195  12.268   9.831
  406   HG11  VAL  53          HG11      VAL  53  21.196  13.745   9.895
  407   HG12  VAL  53          HG12      VAL  53  22.058  12.517  10.848
  408   HG13  VAL  53          HG13      VAL  53  21.547  12.163   9.185
  409   HG21  VAL  53          HG21      VAL  53  20.850  10.458  11.615
  410   HG22  VAL  53          HG22      VAL  53  19.132  10.218  11.193
  411   HG23  VAL  53          HG23      VAL  53  20.368  10.143   9.939
  412    H    GLY  54           H        GLY  54  18.307  12.526  14.138
  413    HA2  GLY  54           HA2      GLY  54  16.214  12.527  15.009
  414    HA3  GLY  54           HA3      GLY  54  15.644  13.376  13.566
  415    H    ILE  55           H        ILE  55  17.109  10.082  13.835
  416    HA   ILE  55           HA       ILE  55  14.598   8.896  12.836
  417    HB   ILE  55           HB       ILE  55  17.401   8.228  11.933
  418   HG12  ILE  55          HG12      ILE  55  15.001   9.578  10.638
  419   HG13  ILE  55          HG13      ILE  55  16.614  10.252  10.926
  420   HG21  ILE  55          HG21      ILE  55  16.268   6.561  10.446
  421   HG22  ILE  55          HG22      ILE  55  16.073   6.143  12.119
  422   HG23  ILE  55          HG23      ILE  55  14.723   6.916  11.233
  423   HD11  ILE  55          HD11      ILE  55  15.817   8.132   8.964
  424   HD12  ILE  55          HD12      ILE  55  16.543   9.725   8.646
  425   HD13  ILE  55          HD13      ILE  55  17.523   8.442   9.403
  426    H    ASP  56           H        ASP  56  14.248   6.702  13.578
  427    HA   ASP  56           HA       ASP  56  15.624   6.013  16.157
  428    HB2  ASP  56           HB2      ASP  56  13.339   6.830  16.512
  429    HB3  ASP  56           HB3      ASP  56  12.711   5.653  15.366
  430    H    ILE  57           H        ILE  57  16.759   4.176  15.938
  431    HA   ILE  57           HA       ILE  57  15.509   1.902  14.512
  432    HB   ILE  57           HB       ILE  57  17.691   1.152  13.734
  433   HG12  ILE  57          HG12      ILE  57  18.810   3.891  14.417
  434   HG13  ILE  57          HG13      ILE  57  19.206   2.375  15.239
  435   HG21  ILE  57          HG21      ILE  57  16.008   2.559  12.370
  436   HG22  ILE  57          HG22      ILE  57  17.154   3.907  12.573
  437   HG23  ILE  57          HG23      ILE  57  17.636   2.408  11.733
  438   HD11  ILE  57          HD11      ILE  57  19.728   3.022  12.298
  439   HD12  ILE  57          HD12      ILE  57  20.906   2.893  13.614
  440   HD13  ILE  57          HD13      ILE  57  20.040   1.441  13.073
  441    H    SER  58           H        SER  58  15.921   3.002  17.436
  442    HA   SER  58           HA       SER  58  17.012   0.711  18.765
  443    HB2  SER  58           HB2      SER  58  15.375   2.303  20.468
  444    HB3  SER  58           HB3      SER  58  17.143   2.206  20.362
  445    HG   SER  58           HG       SER  58  16.166   4.367  20.073
  446    H    GLY  59           H        GLY  59  13.793   1.726  17.596
  447    HA2  GLY  59           HA2      GLY  59  12.320  -0.236  19.127
  448    HA3  GLY  59           HA3      GLY  59  11.769   0.659  17.704
  449    H    GLN  60           H        GLN  60  14.549  -0.728  16.601
  450    HA   GLN  60           HA       GLN  60  13.113  -2.677  15.033
  451    HB2  GLN  60           HB2      GLN  60  16.011  -1.739  15.171
  452    HB3  GLN  60           HB3      GLN  60  15.447  -2.965  14.022
  453    HG2  GLN  60           HG2      GLN  60  13.797  -1.368  13.152
  454    HG3  GLN  60           HG3      GLN  60  14.459  -0.109  14.226
  455   HE21  GLN  60          HE22      GLN  60  14.403  -0.118  11.217
  456   HE22  GLN  60          HE21      GLN  60  16.108   0.062  10.786
  457    H    THR  61           H        THR  61  14.075  -4.820  14.658
  458    HA   THR  61           HA       THR  61  15.583  -6.040  16.801
  459    HB   THR  61           HB       THR  61  13.852  -8.022  16.747
  460    HG1  THR  61           HG1      THR  61  11.763  -7.452  16.215
  461   HG21  THR  61          HG21      THR  61  14.265  -6.500  18.699
  462   HG22  THR  61          HG22      THR  61  12.923  -5.482  18.129
  463   HG23  THR  61          HG23      THR  61  12.628  -7.165  18.609
  464    H    SER  62           H        SER  62  15.717  -8.642  16.008
  465    HA   SER  62           HA       SER  62  16.342  -8.619  13.089
  466    HB2  SER  62           HB2      SER  62  18.217  -9.073  14.976
  467    HB3  SER  62           HB3      SER  62  17.519 -10.676  14.924
  468    HG   SER  62           HG       SER  62  18.889 -10.832  13.273
  469    H    ASP  63           H        ASP  63  16.246 -10.957  12.275
  470    HA   ASP  63           HA       ASP  63  14.730 -12.925  13.636
  471    HB2  ASP  63           HB2      ASP  63  13.204 -11.066  11.985
  472    HB3  ASP  63           HB3      ASP  63  13.199 -12.650  11.241
  473    HA   PRO  64           HA       PRO  64  17.494 -14.993  10.829
  474    HB2  PRO  64           HB2      PRO  64  15.522 -17.254  10.572
  475    HB3  PRO  64           HB3      PRO  64  17.239 -17.299  11.048
  476    HG2  PRO  64           HG2      PRO  64  15.244 -17.547  12.891
  477    HG3  PRO  64           HG3      PRO  64  16.741 -16.628  13.257
  478    HD2  PRO  64           HD2      PRO  64  14.034 -15.564  12.457
  479    HD3  PRO  64           HD3      PRO  64  15.176 -14.970  13.706
  480    H    ILE  65           H        ILE  65  17.866 -15.075   8.593
  481    HA   ILE  65           HA       ILE  65  15.974 -13.947   6.833
  482    HB   ILE  65           HB       ILE  65  18.393 -13.802   6.557
  483   HG12  ILE  65          HG12      ILE  65  16.920 -14.996   4.154
  484   HG13  ILE  65          HG13      ILE  65  16.959 -13.311   4.678
  485   HG21  ILE  65          HG21      ILE  65  19.779 -15.613   5.716
  486   HG22  ILE  65          HG22      ILE  65  18.973 -16.199   7.167
  487   HG23  ILE  65          HG23      ILE  65  18.380 -16.693   5.568
  488   HD11  ILE  65          HD11      ILE  65  19.478 -13.335   4.248
  489   HD12  ILE  65          HD12      ILE  65  19.246 -14.925   3.482
  490   HD13  ILE  65          HD13      ILE  65  18.432 -13.501   2.831
  491    H    GLU  66           H        GLU  66  16.768 -17.324   7.509
  492    HA   GLU  66           HA       GLU  66  15.130 -18.390   5.444
  493    HB2  GLU  66           HB2      GLU  66  16.445 -19.488   7.950
  494    HB3  GLU  66           HB3      GLU  66  15.438 -20.528   6.920
  495    HG2  GLU  66           HG2      GLU  66  16.888 -19.979   4.971
  496    HG3  GLU  66           HG3      GLU  66  17.927 -19.013   6.022
  497    H    ASN  67           H        ASN  67  14.271 -17.057   8.519
  498    HA   ASN  67           HA       ASN  67  11.780 -18.483   8.747
  499    HB2  ASN  67           HB2      ASN  67  11.804 -17.650  10.798
  500    HB3  ASN  67           HB3      ASN  67  13.258 -16.742  10.455
  501   HD21  ASN  67          HD22      ASN  67  13.011 -14.537   9.517
  502   HD22  ASN  67          HD21      ASN  67  11.575 -13.610   9.892
  503    H    PHE  68           H        PHE  68  12.981 -15.815   6.807
  504    HA   PHE  68           HA       PHE  68  10.399 -14.490   6.717
  505    HB2  PHE  68           HB2      PHE  68  13.095 -13.880   5.519
  506    HB3  PHE  68           HB3      PHE  68  11.673 -13.056   4.931
  507    HD1  PHE  68           HD1      PHE  68  10.088 -11.914   6.660
  508    HD2  PHE  68           HD2      PHE  68  14.157 -13.060   7.511
  509    HE1  PHE  68           HE1      PHE  68  10.132 -10.352   8.577
  510    HE2  PHE  68           HE2      PHE  68  14.206 -11.487   9.406
  511    HZ   PHE  68           HZ       PHE  68  12.194 -10.122   9.959
  512    H    ASN  69           H        ASN  69   9.683 -13.768   4.489
  513    HA   ASN  69           HA       ASN  69   9.579 -15.935   2.505
  514    HB2  ASN  69           HB2      ASN  69   7.065 -15.707   2.397
  515    HB3  ASN  69           HB3      ASN  69   7.726 -16.658   3.710
  516   HD21  ASN  69          HD22      ASN  69   6.628 -13.267   3.067
  517   HD22  ASN  69          HD21      ASN  69   5.840 -13.073   4.631
  518    H    ALA  70           H        ALA  70  11.066 -14.297   1.688
  519    HA   ALA  70           HA       ALA  70  10.508 -11.677   1.170
  520    HB1  ALA  70           HB1      ALA  70  12.183 -11.837  -0.547
  521    HB2  ALA  70           HB2      ALA  70  12.614 -12.756   0.910
  522    HB3  ALA  70           HB3      ALA  70  12.047 -13.617  -0.562
  523    H    ASP  71           H        ASP  71   9.231 -14.513  -0.441
  524    HA   ASP  71           HA       ASP  71   8.378 -13.673  -2.950
  525    HB2  ASP  71           HB2      ASP  71   7.866 -15.907  -2.105
  526    HB3  ASP  71           HB3      ASP  71   6.797 -15.221  -0.875
  527    H    ASP  72           H        ASP  72   7.053 -12.870   0.231
  528    HA   ASP  72           HA       ASP  72   4.715 -11.480  -0.791
  529    HB2  ASP  72           HB2      ASP  72   4.783 -12.824   1.313
  530    HB3  ASP  72           HB3      ASP  72   5.887 -11.633   2.008
  531    H    TYR  73           H        TYR  73   8.007 -10.412  -0.387
  532    HA   TYR  73           HA       TYR  73   7.120  -7.708   0.311
  533    HB2  TYR  73           HB2      TYR  73   9.939  -8.773   0.609
  534    HB3  TYR  73           HB3      TYR  73   9.346  -7.154   1.009
  535    HD1  TYR  73           HD1      TYR  73   8.616 -10.759   1.851
  536    HD2  TYR  73           HD2      TYR  73   8.873  -6.693   3.227
  537    HE1  TYR  73           HE1      TYR  73   8.164 -11.537   4.149
  538    HE2  TYR  73           HE2      TYR  73   8.388  -7.455   5.548
  539    HH   TYR  73           HH       TYR  73   7.920  -9.284   6.945
  540    H    ASP  74           H        ASP  74   7.059  -6.322  -1.333
  541    HA   ASP  74           HA       ASP  74   7.684  -7.323  -3.946
  542    HB2  ASP  74           HB2      ASP  74   5.876  -5.565  -3.101
  543    HB3  ASP  74           HB3      ASP  74   7.187  -4.415  -3.409
  544    H    VAL  75           H        VAL  75   9.784  -5.739  -1.724
  545    HA   VAL  75           HA       VAL  75  11.688  -5.088  -3.903
  546    HB   VAL  75           HB       VAL  75  10.434  -3.353  -1.895
  547   HG11  VAL  75          HG11      VAL  75  13.096  -2.933  -2.253
  548   HG12  VAL  75          HG12      VAL  75  12.437  -1.902  -3.531
  549   HG13  VAL  75          HG13      VAL  75  11.901  -1.652  -1.905
  550   HG21  VAL  75          HG21      VAL  75   9.956  -1.739  -3.657
  551   HG22  VAL  75          HG22      VAL  75  10.503  -2.942  -4.853
  552   HG23  VAL  75          HG23      VAL  75   9.106  -3.252  -3.811
  553    H    VAL  76           H        VAL  76  13.654  -6.054  -3.307
  554    HA   VAL  76           HA       VAL  76  14.162  -6.445  -0.392
  555    HB   VAL  76           HB       VAL  76  14.663  -8.152  -2.879
  556   HG11  VAL  76          HG11      VAL  76  15.897  -8.619  -0.128
  557   HG12  VAL  76          HG12      VAL  76  16.043  -9.663  -1.579
  558   HG13  VAL  76          HG13      VAL  76  16.796  -8.096  -1.561
  559   HG21  VAL  76          HG21      VAL  76  13.335  -8.811  -0.209
  560   HG22  VAL  76          HG22      VAL  76  12.488  -8.471  -1.730
  561   HG23  VAL  76          HG23      VAL  76  13.509  -9.902  -1.606
  562    H    ILE  77           H        ILE  77  15.938  -5.535   0.325
  563    HA   ILE  77           HA       ILE  77  18.105  -4.815  -1.573
  564    HB   ILE  77           HB       ILE  77  17.112  -3.291   0.859
  565   HG12  ILE  77          HG12      ILE  77  15.603  -2.756  -0.932
  566   HG13  ILE  77          HG13      ILE  77  16.711  -1.428  -0.656
  567   HG21  ILE  77          HG21      ILE  77  18.841  -1.666   0.299
  568   HG22  ILE  77          HG22      ILE  77  19.563  -3.222   0.654
  569   HG23  ILE  77          HG23      ILE  77  19.439  -2.702  -1.028
  570   HD11  ILE  77          HD11      ILE  77  18.029  -2.150  -2.699
  571   HD12  ILE  77          HD12      ILE  77  16.835  -3.402  -2.974
  572   HD13  ILE  77          HD13      ILE  77  16.341  -1.730  -3.075
  573    H    SER  78           H        SER  78  19.212  -6.685  -1.170
  574    HA   SER  78           HA       SER  78  19.712  -7.434   1.653
  575    HB2  SER  78           HB2      SER  78  19.328  -9.281   0.281
  576    HB3  SER  78           HB3      SER  78  20.381  -8.658  -1.018
  577    HG   SER  78           HG       SER  78  22.104  -9.231  -0.010
  578    H    LEU  79           H        LEU  79  22.147  -7.492   2.266
  579    HA   LEU  79           HA       LEU  79  23.809  -5.537   0.812
  580    HB2  LEU  79           HB2      LEU  79  23.380  -5.310   3.825
  581    HB3  LEU  79           HB3      LEU  79  24.568  -4.460   2.837
  582    HG   LEU  79           HG       LEU  79  22.628  -3.380   1.593
  583   HD11  LEU  79          HD11      LEU  79  21.097  -4.672   3.828
  584   HD12  LEU  79          HD12      LEU  79  20.615  -3.031   3.278
  585   HD13  LEU  79          HD13      LEU  79  20.616  -4.391   2.182
  586   HD21  LEU  79          HD21      LEU  79  22.450  -1.633   3.361
  587   HD22  LEU  79          HD22      LEU  79  23.149  -2.784   4.532
  588   HD23  LEU  79          HD23      LEU  79  24.106  -2.208   3.150
  589    H    CYS  80           H        CYS  80  23.779  -8.345   0.839
  590    HA   CYS  80           HA       CYS  80  25.675  -9.347   2.841
  591    HB2  CYS  80           HB2      CYS  80  24.182 -10.675   0.525
  592    HB3  CYS  80           HB3      CYS  80  25.301 -11.510   1.629
  593    HG   CYS  80           HG       CYS  80  22.345 -10.156   2.074
  594    H    GLY  81           H        GLY  81  26.010  -7.627  -0.112
  595    HA2  GLY  81           HA2      GLY  81  28.239  -6.870  -0.588
  596    HA3  GLY  81           HA3      GLY  81  28.901  -8.430  -0.105
  597    H    CYS  82           H        CYS  82  26.081  -7.781  -2.142
  598    HA   CYS  82           HA       CYS  82  25.358  -8.952  -3.948
  599    HB2  CYS  82           HB2      CYS  82  26.175  -7.867  -5.962
  600    HB3  CYS  82           HB3      CYS  82  25.952  -6.732  -4.613
  601    HG   CYS  82           HG       CYS  82  28.772  -8.151  -5.631
  602    H    GLY  83           H        GLY  83  26.679 -10.861  -2.615
  603    HA2  GLY  83           HA2      GLY  83  27.687 -12.657  -4.728
  604    HA3  GLY  83           HA3      GLY  83  28.809 -12.215  -3.423
  605    H    VAL  84           H        VAL  84  25.278 -12.852  -3.477
  606    HA   VAL  84           HA       VAL  84  25.573 -14.902  -1.391
  607    HB   VAL  84           HB       VAL  84  25.012 -12.688  -0.542
  608   HG11  VAL  84          HG11      VAL  84  22.708 -11.693  -0.993
  609   HG12  VAL  84          HG12      VAL  84  23.922 -11.511  -2.257
  610   HG13  VAL  84          HG13      VAL  84  22.652 -12.734  -2.428
  611   HG21  VAL  84          HG21      VAL  84  22.576 -14.507  -0.276
  612   HG22  VAL  84          HG22      VAL  84  24.085 -14.658   0.657
  613   HG23  VAL  84          HG23      VAL  84  23.059 -13.233   0.839
  614    H    ASN  85           H        ASN  85  23.731 -16.372  -1.215
  615    HA   ASN  85           HA       ASN  85  22.563 -16.977  -3.893
  616    HB2  ASN  85           HB2      ASN  85  24.486 -18.432  -3.037
  617    HB3  ASN  85           HB3      ASN  85  23.391 -18.996  -1.770
  618   HD21  ASN  85          HD22      ASN  85  23.711 -18.604  -5.340
  619   HD22  ASN  85          HD21      ASN  85  22.739 -19.999  -5.762
  620    H    LEU  86           H        LEU  86  21.037 -15.330  -2.754
  621    HA   LEU  86           HA       LEU  86  19.348 -16.155  -0.595
  622    HB2  LEU  86           HB2      LEU  86  18.631 -14.312  -2.907
  623    HB3  LEU  86           HB3      LEU  86  17.811 -14.406  -1.357
  624    HG   LEU  86           HG       LEU  86  20.667 -13.448  -1.755
  625   HD11  LEU  86          HD11      LEU  86  18.166 -11.815  -1.187
  626   HD12  LEU  86          HD12      LEU  86  19.834 -11.211  -1.394
  627   HD13  LEU  86          HD13      LEU  86  18.979 -11.948  -2.762
  628   HD21  LEU  86          HD21      LEU  86  20.280 -14.359   0.533
  629   HD22  LEU  86          HD22      LEU  86  20.552 -12.607   0.539
  630   HD23  LEU  86          HD23      LEU  86  18.899 -13.259   0.697
  631    HA   PRO  87           HA       PRO  87  16.751 -19.152  -2.732
  632    HB2  PRO  87           HB2      PRO  87  14.502 -17.853  -1.232
  633    HB3  PRO  87           HB3      PRO  87  14.863 -19.590  -1.429
  634    HG2  PRO  87           HG2      PRO  87  15.491 -18.268   0.899
  635    HG3  PRO  87           HG3      PRO  87  16.590 -19.504   0.209
  636    HD2  PRO  87           HD2      PRO  87  16.850 -16.505   0.105
  637    HD3  PRO  87           HD3      PRO  87  18.102 -17.759   0.263
  638    HA   PRO  88           HA       PRO  88  15.381 -16.896  -6.114
  639    HB2  PRO  88           HB2      PRO  88  12.966 -18.707  -6.385
  640    HB3  PRO  88           HB3      PRO  88  14.125 -18.200  -7.655
  641    HG2  PRO  88           HG2      PRO  88  14.355 -20.637  -6.482
  642    HG3  PRO  88           HG3      PRO  88  15.817 -19.642  -6.789
  643    HD2  PRO  88           HD2      PRO  88  14.307 -20.018  -4.196
  644    HD3  PRO  88           HD3      PRO  88  16.072 -19.973  -4.506
  645    H    GLU  89           H        GLU  89  12.877 -17.267  -3.636
  646    HA   GLU  89           HA       GLU  89  10.945 -15.555  -4.832
  647    HB2  GLU  89           HB2      GLU  89  10.020 -15.497  -2.552
  648    HB3  GLU  89           HB3      GLU  89  10.260 -17.124  -3.192
  649    HG2  GLU  89           HG2      GLU  89  12.255 -17.405  -1.797
  650    HG3  GLU  89           HG3      GLU  89  12.094 -15.759  -1.183
  651    H    TRP  90           H        TRP  90  13.885 -14.924  -3.145
  652    HA   TRP  90           HA       TRP  90  13.239 -12.225  -2.372
  653    HB2  TRP  90           HB2      TRP  90  15.861 -13.729  -2.711
  654    HB3  TRP  90           HB3      TRP  90  15.768 -12.076  -2.127
  655    HD1  TRP  90           HD1      TRP  90  14.757 -15.641  -1.024
  656    HE1  TRP  90           HE1      TRP  90  14.434 -15.700   1.522
  657    HE3  TRP  90           HE3      TRP  90  15.108 -10.728  -0.026
  658    HZ2  TRP  90           HZ2      TRP  90  14.595 -13.858   3.739
  659    HZ3  TRP  90           HZ3      TRP  90  15.092  -9.817   2.257
  660    HH2  TRP  90           HH2      TRP  90  14.723 -11.416   4.193
  661    H    VAL  91           H        VAL  91  14.054 -13.622  -5.485
  662    HA   VAL  91           HA       VAL  91  15.137 -11.032  -6.335
  663    HB   VAL  91           HB       VAL  91  16.365 -12.102  -8.006
  664   HG11  VAL  91          HG11      VAL  91  17.979 -13.292  -6.652
  665   HG12  VAL  91          HG12      VAL  91  17.259 -12.041  -5.627
  666   HG13  VAL  91          HG13      VAL  91  16.753 -13.727  -5.448
  667   HG21  VAL  91          HG21      VAL  91  14.811 -14.014  -8.562
  668   HG22  VAL  91          HG22      VAL  91  16.528 -14.426  -8.448
  669   HG23  VAL  91          HG23      VAL  91  15.452 -14.845  -7.123
  670    H    THR  92           H        THR  92  12.305 -12.933  -6.720
  671    HA   THR  92           HA       THR  92  11.769 -12.207  -9.456
  672    HB   THR  92           HB       THR  92   9.558 -13.375  -8.796
  673    HG1  THR  92           HG1      THR  92   9.468 -14.255  -6.792
  674   HG21  THR  92          HG21      THR  92  11.401 -14.555  -9.888
  675   HG22  THR  92          HG22      THR  92  12.272 -14.715  -8.354
  676   HG23  THR  92          HG23      THR  92  10.741 -15.591  -8.601
  677    H    GLN  93           H        GLN  93  11.507 -10.490  -6.633
  678    HA   GLN  93           HA       GLN  93   9.107  -9.115  -6.643
  679    HB2  GLN  93           HB2      GLN  93  11.934  -8.612  -5.622
  680    HB3  GLN  93           HB3      GLN  93  10.476  -7.820  -4.988
  681    HG2  GLN  93           HG2      GLN  93  11.352 -10.645  -4.691
  682    HG3  GLN  93           HG3      GLN  93  11.076  -9.437  -3.462
  683   HE21  GLN  93          HE22      GLN  93   9.940 -12.110  -3.888
  684   HE22  GLN  93          HE21      GLN  93   8.209 -11.850  -3.665
  685    H    GLU  94           H        GLU  94   9.295  -6.483  -6.529
  686    HA   GLU  94           HA       GLU  94   9.621  -5.678  -9.267
  687    HB2  GLU  94           HB2      GLU  94   7.759  -4.661  -8.345
  688    HB3  GLU  94           HB3      GLU  94   8.458  -4.594  -6.741
  689    HG2  GLU  94           HG2      GLU  94   8.184  -2.387  -7.510
  690    HG3  GLU  94           HG3      GLU  94   9.881  -2.778  -7.278
  691    H    ILE  95           H        ILE  95  11.161  -5.242  -6.057
  692    HA   ILE  95           HA       ILE  95  13.609  -4.368  -7.592
  693    HB   ILE  95           HB       ILE  95  12.718  -3.472  -4.882
  694   HG12  ILE  95          HG12      ILE  95  11.975  -1.984  -6.583
  695   HG13  ILE  95          HG13      ILE  95  13.297  -1.236  -5.641
  696   HG21  ILE  95          HG21      ILE  95  15.009  -4.065  -4.489
  697   HG22  ILE  95          HG22      ILE  95  15.542  -3.298  -6.000
  698   HG23  ILE  95          HG23      ILE  95  14.942  -2.320  -4.659
  699   HD11  ILE  95          HD11      ILE  95  13.548  -2.389  -8.461
  700   HD12  ILE  95          HD12      ILE  95  13.438  -0.686  -8.019
  701   HD13  ILE  95          HD13      ILE  95  14.850  -1.629  -7.517
  702    H    PHE  96           H        PHE  96  15.359  -5.534  -7.324
  703    HA   PHE  96           HA       PHE  96  15.767  -6.956  -4.868
  704    HB2  PHE  96           HB2      PHE  96  15.008  -8.914  -5.950
  705    HB3  PHE  96           HB3      PHE  96  15.843  -8.508  -7.473
  706    HD1  PHE  96           HD1      PHE  96  16.741  -8.582  -3.809
  707    HD2  PHE  96           HD2      PHE  96  17.942  -9.663  -7.804
  708    HE1  PHE  96           HE1      PHE  96  18.889  -9.293  -2.942
  709    HE2  PHE  96           HE2      PHE  96  20.108 -10.476  -6.903
  710    HZ   PHE  96           HZ       PHE  96  20.603 -10.297  -4.472
  711    H    GLU  97           H        GLU  97  17.519  -5.976  -4.271
  712    HA   GLU  97           HA       GLU  97  19.768  -5.655  -6.132
  713    HB2  GLU  97           HB2      GLU  97  18.480  -3.464  -4.461
  714    HB3  GLU  97           HB3      GLU  97  20.178  -3.385  -4.932
  715    HG2  GLU  97           HG2      GLU  97  19.568  -3.427  -7.286
  716    HG3  GLU  97           HG3      GLU  97  17.853  -3.600  -6.883
  717    H    ASP  98           H        ASP  98  21.673  -5.217  -4.823
  718    HA   ASP  98           HA       ASP  98  21.511  -6.054  -2.042
  719    HB2  ASP  98           HB2      ASP  98  22.148  -8.120  -3.175
  720    HB3  ASP  98           HB3      ASP  98  23.579  -7.318  -3.836
  721    H    TRP  99           H        TRP  99  22.121  -4.118  -1.175
  722    HA   TRP  99           HA       TRP  99  23.996  -2.337  -2.597
  723    HB2  TRP  99           HB2      TRP  99  22.428  -1.984  -0.023
  724    HB3  TRP  99           HB3      TRP  99  23.546  -0.804  -0.672
  725    HD1  TRP  99           HD1      TRP  99  22.173  -1.759  -3.762
  726    HE1  TRP  99           HE1      TRP  99  20.028  -0.604  -4.434
  727    HE3  TRP  99           HE3      TRP  99  20.943   0.323   0.772
  728    HZ2  TRP  99           HZ2      TRP  99  17.809   0.704  -3.079
  729    HZ3  TRP  99           HZ3      TRP  99  18.726   1.463   1.038
  730    HH2  TRP  99           HH2      TRP  99  17.153   1.545  -0.843
  731    H    GLN 100           H        GLN 100  25.736  -3.580  -2.635
  732    HA   GLN 100           HA       GLN 100  27.193  -4.757  -0.546
  733    HB2  GLN 100           HB2      GLN 100  29.036  -4.745  -2.073
  734    HB3  GLN 100           HB3      GLN 100  27.541  -5.365  -2.780
  735    HG2  GLN 100           HG2      GLN 100  28.665  -2.571  -3.287
  736    HG3  GLN 100           HG3      GLN 100  29.004  -3.965  -4.300
  737   HE21  GLN 100          HE22      GLN 100  27.109  -5.053  -5.345
  738   HE22  GLN 100          HE21      GLN 100  25.681  -4.109  -5.721
  739    H    LEU 101           H        LEU 101  26.437  -2.152   0.462
  740    HA   LEU 101           HA       LEU 101  28.420  -0.208  -0.175
  741    HB2  LEU 101           HB2      LEU 101  25.846  -0.317   1.266
  742    HB3  LEU 101           HB3      LEU 101  26.965   0.581   2.230
  743    HG   LEU 101           HG       LEU 101  25.601   2.012   0.787
  744   HD11  LEU 101          HD11      LEU 101  28.533   2.102  -0.054
  745   HD12  LEU 101          HD12      LEU 101  27.354   3.399  -0.214
  746   HD13  LEU 101          HD13      LEU 101  27.820   2.860   1.403
  747   HD21  LEU 101          HD21      LEU 101  25.334   0.442  -1.139
  748   HD22  LEU 101          HD22      LEU 101  25.831   2.065  -1.629
  749   HD23  LEU 101          HD23      LEU 101  27.014   0.754  -1.615
  750    H    GLU 102           H        GLU 102  29.275   1.144   1.863
  751    HA   GLU 102           HA       GLU 102  31.559  -0.095   2.790
  752    HB2  GLU 102           HB2      GLU 102  29.948   2.272   3.791
  753    HB3  GLU 102           HB3      GLU 102  31.520   1.859   4.490
  754    HG2  GLU 102           HG2      GLU 102  32.608   2.162   2.329
  755    HG3  GLU 102           HG3      GLU 102  31.052   2.506   1.552
  756    H    ASP 103           H        ASP 103  32.232  -0.296   5.012
  757    HA   ASP 103           HA       ASP 103  30.381  -1.918   6.719
  758    HB2  ASP 103           HB2      ASP 103  31.917  -3.350   5.585
  759    HB3  ASP 103           HB3      ASP 103  33.290  -2.306   6.002
  760    HA   PRO 104           HA       PRO 104  31.998   1.364   9.450
  761    HB2  PRO 104           HB2      PRO 104  29.820   1.732  11.038
  762    HB3  PRO 104           HB3      PRO 104  29.881   2.357   9.361
  763    HG2  PRO 104           HG2      PRO 104  28.575  -0.188  10.370
  764    HG3  PRO 104           HG3      PRO 104  27.910   1.030   9.219
  765    HD2  PRO 104           HD2      PRO 104  29.155  -1.351   8.490
  766    HD3  PRO 104           HD3      PRO 104  29.087   0.099   7.442
  767    H    ASP 105           H        ASP 105  31.379  -1.941   9.880
  768    HA   ASP 105           HA       ASP 105  31.382  -3.384  11.675
  769    HB2  ASP 105           HB2      ASP 105  33.505  -3.417  10.459
  770    HB3  ASP 105           HB3      ASP 105  34.150  -2.159  11.485
  771    H    GLY 106           H        GLY 106  33.857  -1.721  13.283
  772    HA2  GLY 106           HA2      GLY 106  32.135  -0.498  15.383
  773    HA3  GLY 106           HA3      GLY 106  33.497  -1.540  15.847
  774    H    GLN 107           H        GLN 107  33.212   0.738  13.134
  775    HA   GLN 107           HA       GLN 107  35.846   1.844  13.515
  776    HB2  GLN 107           HB2      GLN 107  33.543   2.518  11.599
  777    HB3  GLN 107           HB3      GLN 107  35.123   3.268  11.534
  778    HG2  GLN 107           HG2      GLN 107  35.946   0.703  11.604
  779    HG3  GLN 107           HG3      GLN 107  34.398   0.494  10.760
  780   HE21  GLN 107          HE22      GLN 107  34.459   0.898   8.490
  781   HE22  GLN 107          HE21      GLN 107  35.718   1.836   7.723
  782    H    SER 108           H        SER 108  35.819   4.310  12.898
  783    HA   SER 108           HA       SER 108  35.181   5.790  15.287
  784    HB2  SER 108           HB2      SER 108  35.980   6.808  12.522
  785    HB3  SER 108           HB3      SER 108  36.124   7.683  14.054
  786    HG   SER 108           HG       SER 108  38.128   6.732  13.435
  787    H    LEU 109           H        LEU 109  33.696   7.643  15.346
  788    HA   LEU 109           HA       LEU 109  31.084   7.122  14.396
  789    HB2  LEU 109           HB2      LEU 109  32.320   9.777  15.234
  790    HB3  LEU 109           HB3      LEU 109  30.616   9.515  14.921
  791    HG   LEU 109           HG       LEU 109  32.259   8.425  17.218
  792   HD11  LEU 109          HD11      LEU 109  29.670  10.057  17.120
  793   HD12  LEU 109          HD12      LEU 109  30.574   9.597  18.572
  794   HD13  LEU 109          HD13      LEU 109  31.298  10.710  17.399
  795   HD21  LEU 109          HD21      LEU 109  30.163   7.260  17.993
  796   HD22  LEU 109          HD22      LEU 109  29.482   7.503  16.370
  797   HD23  LEU 109          HD23      LEU 109  30.937   6.515  16.593
  798    H    GLU 110           H        GLU 110  33.753   8.857  12.848
  799    HA   GLU 110           HA       GLU 110  32.206  10.244  10.896
  800    HB2  GLU 110           HB2      GLU 110  35.050   9.142  10.791
  801    HB3  GLU 110           HB3      GLU 110  34.329  10.176   9.539
  802    HG2  GLU 110           HG2      GLU 110  33.803  11.871  11.273
  803    HG3  GLU 110           HG3      GLU 110  34.666  10.892  12.471
  804    H    VAL 111           H        VAL 111  33.532   6.837  10.866
  805    HA   VAL 111           HA       VAL 111  32.507   6.571   8.180
  806    HB   VAL 111           HB       VAL 111  33.476   4.400  10.099
  807   HG11  VAL 111          HG11      VAL 111  32.135   3.387   8.355
  808   HG12  VAL 111          HG12      VAL 111  32.777   4.484   7.106
  809   HG13  VAL 111          HG13      VAL 111  33.794   3.228   7.779
  810   HG21  VAL 111          HG21      VAL 111  35.561   4.507   8.701
  811   HG22  VAL 111          HG22      VAL 111  34.919   5.945   7.881
  812   HG23  VAL 111          HG23      VAL 111  35.294   5.987   9.618
  813    H    PHE 112           H        PHE 112  31.295   5.609  11.449
  814    HA   PHE 112           HA       PHE 112  28.832   4.527  10.618
  815    HB2  PHE 112           HB2      PHE 112  29.493   6.299  12.977
  816    HB3  PHE 112           HB3      PHE 112  27.869   5.785  12.591
  817    HD1  PHE 112           HD1      PHE 112  31.258   4.092  12.895
  818    HD2  PHE 112           HD2      PHE 112  27.030   4.013  13.785
  819    HE1  PHE 112           HE1      PHE 112  31.553   2.009  14.181
  820    HE2  PHE 112           HE2      PHE 112  27.373   1.989  15.149
  821    HZ   PHE 112           HZ       PHE 112  29.621   0.952  15.324
  822    H    ARG 113           H        ARG 113  29.570   8.078  10.947
  823    HA   ARG 113           HA       ARG 113  27.057   9.013   9.983
  824    HB2  ARG 113           HB2      ARG 113  29.846  10.258   9.733
  825    HB3  ARG 113           HB3      ARG 113  28.361  11.066   9.273
  826    HG2  ARG 113           HG2      ARG 113  27.539  10.868  11.635
  827    HG3  ARG 113           HG3      ARG 113  29.099  10.189  12.098
  828    HD2  ARG 113           HD2      ARG 113  30.268  12.183  11.397
  829    HD3  ARG 113           HD3      ARG 113  28.767  12.908  10.789
  830    HE   ARG 113           HE       ARG 113  27.951  12.588  13.237
  831   HH11  ARG 113          HH11      ARG 113  31.188  13.756  12.237
  832   HH12  ARG 113          HH12      ARG 113  31.469  14.613  13.706
  833   HH21  ARG 113          HH21      ARG 113  28.322  13.712  15.129
  834   HH22  ARG 113          HH22      ARG 113  29.796  14.613  15.404
  835    H    THR 114           H        THR 114  30.068   8.189   8.222
  836    HA   THR 114           HA       THR 114  29.126   9.229   5.753
  837    HB   THR 114           HB       THR 114  31.300   7.164   6.323
  838    HG1  THR 114           HG1      THR 114  31.743   9.087   7.366
  839   HG21  THR 114          HG21      THR 114  32.282   7.924   4.176
  840   HG22  THR 114          HG22      THR 114  30.698   7.171   3.939
  841   HG23  THR 114          HG23      THR 114  30.845   8.940   3.880
  842    H    VAL 115           H        VAL 115  29.026   5.916   7.192
  843    HA   VAL 115           HA       VAL 115  28.176   4.771   4.675
  844    HB   VAL 115           HB       VAL 115  27.864   3.530   7.448
  845   HG11  VAL 115          HG11      VAL 115  27.815   1.385   6.134
  846   HG12  VAL 115          HG12      VAL 115  26.433   2.421   5.788
  847   HG13  VAL 115          HG13      VAL 115  27.774   2.332   4.634
  848   HG21  VAL 115          HG21      VAL 115  30.173   3.721   7.288
  849   HG22  VAL 115          HG22      VAL 115  29.953   2.184   6.488
  850   HG23  VAL 115          HG23      VAL 115  30.195   3.677   5.535
  851    H    ARG 116           H        ARG 116  26.511   5.683   7.689
  852    HA   ARG 116           HA       ARG 116  23.828   5.413   7.039
  853    HB2  ARG 116           HB2      ARG 116  24.646   6.139   9.185
  854    HB3  ARG 116           HB3      ARG 116  25.479   7.509   8.473
  855    HG2  ARG 116           HG2      ARG 116  23.126   8.452   7.903
  856    HG3  ARG 116           HG3      ARG 116  22.551   7.215   9.045
  857    HD2  ARG 116           HD2      ARG 116  22.909   8.890  10.504
  858    HD3  ARG 116           HD3      ARG 116  24.565   8.162  10.498
  859    HE   ARG 116           HE       ARG 116  24.441  10.146   8.464
  860   HH11  ARG 116          HH21      ARG 116  24.209  10.145  12.011
  861   HH12  ARG 116          HH22      ARG 116  25.311  11.469  12.231
  862   HH21  ARG 116          HH11      ARG 116  25.580  12.148   8.742
  863   HH22  ARG 116          HH12      ARG 116  25.852  12.766  10.331
  864    H    GLY 117           H        GLY 117  25.870   8.342   6.183
  865    HA2  GLY 117           HA2      GLY 117  23.724   9.570   4.786
  866    HA3  GLY 117           HA3      GLY 117  25.457   9.952   4.577
  867    H    GLN 118           H        GLN 118  26.408   7.476   3.519
  868    HA   GLN 118           HA       GLN 118  25.544   7.690   0.830
  869    HB2  GLN 118           HB2      GLN 118  27.140   5.531   2.271
  870    HB3  GLN 118           HB3      GLN 118  26.844   5.543   0.533
  871    HG2  GLN 118           HG2      GLN 118  27.722   8.162   1.002
  872    HG3  GLN 118           HG3      GLN 118  28.687   7.228   2.134
  873   HE21  GLN 118          HE22      GLN 118  30.327   5.782   1.298
  874   HE22  GLN 118          HE21      GLN 118  30.737   5.777  -0.414
  875    H    VAL 119           H        VAL 119  24.517   5.515   3.419
  876    HA   VAL 119           HA       VAL 119  22.799   3.872   1.795
  877    HB   VAL 119           HB       VAL 119  22.897   4.565   4.754
  878   HG11  VAL 119          HG11      VAL 119  20.565   4.120   4.338
  879   HG12  VAL 119          HG12      VAL 119  20.981   2.669   3.392
  880   HG13  VAL 119          HG13      VAL 119  21.308   2.738   5.152
  881   HG21  VAL 119          HG21      VAL 119  23.345   1.919   3.268
  882   HG22  VAL 119          HG22      VAL 119  24.665   3.006   3.718
  883   HG23  VAL 119          HG23      VAL 119  23.683   2.251   4.980
  884    H    LYS 120           H        LYS 120  22.288   7.019   3.536
  885    HA   LYS 120           HA       LYS 120  19.527   7.064   3.099
  886    HB2  LYS 120           HB2      LYS 120  19.514   9.126   3.988
  887    HB3  LYS 120           HB3      LYS 120  21.086   8.582   4.512
  888    HG2  LYS 120           HG2      LYS 120  22.003  10.423   3.746
  889    HG3  LYS 120           HG3      LYS 120  21.621  10.006   2.105
  890    HD2  LYS 120           HD2      LYS 120  19.772  11.515   4.008
  891    HD3  LYS 120           HD3      LYS 120  20.847  12.259   2.809
  892    HE2  LYS 120           HE2      LYS 120  19.640  11.063   0.978
  893    HE3  LYS 120           HE3      LYS 120  18.525  10.367   2.169
  894    HZ1  LYS 120           HZ1      LYS 120  17.831  12.670   2.711
  895    HZ2  LYS 120           HZ2      LYS 120  18.842  13.263   1.565
  896    HZ3  LYS 120           HZ3      LYS 120  17.579  12.317   1.122
  897    H    GLU 121           H        GLU 121  22.121   8.075   0.908
  898    HA   GLU 121           HA       GLU 121  20.386   9.095  -1.140
  899    HB2  GLU 121           HB2      GLU 121  23.192   7.883  -1.341
  900    HB3  GLU 121           HB3      GLU 121  22.379   8.778  -2.621
  901    HG2  GLU 121           HG2      GLU 121  22.315  10.793  -1.195
  902    HG3  GLU 121           HG3      GLU 121  23.152   9.924   0.093
  903    H    ARG 122           H        ARG 122  21.766   5.762  -0.576
  904    HA   ARG 122           HA       ARG 122  20.625   4.735  -3.039
  905    HB2  ARG 122           HB2      ARG 122  21.753   3.403  -0.532
  906    HB3  ARG 122           HB3      ARG 122  20.924   2.490  -1.788
  907    HG2  ARG 122           HG2      ARG 122  23.189   2.304  -2.312
  908    HG3  ARG 122           HG3      ARG 122  22.471   3.402  -3.502
  909    HD2  ARG 122           HD2      ARG 122  23.408   5.335  -2.217
  910    HD3  ARG 122           HD3      ARG 122  24.175   4.165  -1.110
  911    HE   ARG 122           HE       ARG 122  24.960   3.539  -3.759
  912   HH11  ARG 122          HH11      ARG 122  25.350   6.259  -1.506
  913   HH12  ARG 122          HH12      ARG 122  27.005   6.566  -1.952
  914   HH21  ARG 122          HH21      ARG 122  27.116   4.053  -4.444
  915   HH22  ARG 122          HH22      ARG 122  27.972   5.362  -3.716
  916    H    VAL 123           H        VAL 123  19.491   4.689   0.379
  917    HA   VAL 123           HA       VAL 123  17.019   3.457  -0.019
  918    HB   VAL 123           HB       VAL 123  17.936   5.702   1.822
  919   HG11  VAL 123          HG11      VAL 123  15.355   4.136   1.829
  920   HG12  VAL 123          HG12      VAL 123  15.989   5.018   3.232
  921   HG13  VAL 123          HG13      VAL 123  15.562   5.907   1.774
  922   HG21  VAL 123          HG21      VAL 123  18.104   3.986   3.507
  923   HG22  VAL 123          HG22      VAL 123  17.381   2.765   2.441
  924   HG23  VAL 123          HG23      VAL 123  19.012   3.415   2.114
  925    H    GLU 124           H        GLU 124  17.788   6.976  -0.291
  926    HA   GLU 124           HA       GLU 124  15.183   7.643  -1.090
  927    HB2  GLU 124           HB2      GLU 124  16.790   9.084  -0.101
  928    HB3  GLU 124           HB3      GLU 124  17.806   9.060  -1.579
  929    HG2  GLU 124           HG2      GLU 124  15.927  10.051  -2.830
  930    HG3  GLU 124           HG3      GLU 124  14.928  10.018  -1.349
  931    H    ASN 125           H        ASN 125  17.957   6.614  -3.062
  932    HA   ASN 125           HA       ASN 125  16.756   7.081  -5.600
  933    HB2  ASN 125           HB2      ASN 125  18.944   5.260  -4.621
  934    HB3  ASN 125           HB3      ASN 125  18.230   4.934  -6.182
  935   HD21  ASN 125          HD22      ASN 125  19.867   7.539  -4.330
  936   HD22  ASN 125          HD21      ASN 125  20.480   8.374  -5.752
  937    H    LEU 126           H        LEU 126  16.707   4.186  -3.474
  938    HA   LEU 126           HA       LEU 126  15.060   2.554  -5.153
  939    HB2  LEU 126           HB2      LEU 126  15.822   1.251  -3.591
  940    HB3  LEU 126           HB3      LEU 126  16.031   2.553  -2.406
  941    HG   LEU 126           HG       LEU 126  13.255   1.564  -2.787
  942   HD11  LEU 126          HD11      LEU 126  15.391  -0.087  -1.491
  943   HD12  LEU 126          HD12      LEU 126  13.665  -0.400  -1.351
  944   HD13  LEU 126          HD13      LEU 126  14.433  -0.526  -2.934
  945   HD21  LEU 126          HD21      LEU 126  13.145   1.743  -0.361
  946   HD22  LEU 126          HD22      LEU 126  14.907   1.958  -0.251
  947   HD23  LEU 126          HD23      LEU 126  13.902   3.206  -0.995
  948    H    ILE 127           H        ILE 127  14.248   4.887  -2.655
  949    HA   ILE 127           HA       ILE 127  11.389   4.676  -2.797
  950    HB   ILE 127           HB       ILE 127  13.464   6.598  -1.837
  951   HG12  ILE 127          HG12      ILE 127  11.060   5.750  -0.244
  952   HG13  ILE 127          HG13      ILE 127  12.091   4.426  -0.781
  953   HG21  ILE 127          HG21      ILE 127  11.786   8.173  -0.932
  954   HG22  ILE 127          HG22      ILE 127  12.030   8.265  -2.676
  955   HG23  ILE 127          HG23      ILE 127  10.581   7.463  -2.031
  956   HD11  ILE 127          HD11      ILE 127  13.523   6.789   0.426
  957   HD12  ILE 127          HD12      ILE 127  12.577   5.679   1.488
  958   HD13  ILE 127          HD13      ILE 127  13.857   5.047   0.443
  959    H    ALA 128           H        ALA 128  13.720   6.750  -4.646
  960    HA   ALA 128           HA       ALA 128  11.754   8.147  -6.078
  961    HB1  ALA 128           HB1      ALA 128  14.166   8.774  -5.970
  962    HB2  ALA 128           HB2      ALA 128  14.540   7.420  -7.069
  963    HB3  ALA 128           HB3      ALA 128  13.520   8.755  -7.627
  964    H    LYS 129           H        LYS 129  13.010   4.849  -6.628
  965    HA   LYS 129           HA       LYS 129  11.808   4.599  -9.222
  966    HB2  LYS 129           HB2      LYS 129  12.581   2.420  -7.247
  967    HB3  LYS 129           HB3      LYS 129  12.231   2.193  -8.956
  968    HG2  LYS 129           HG2      LYS 129  14.201   3.438  -9.620
  969    HG3  LYS 129           HG3      LYS 129  14.519   3.927  -7.947
  970    HD2  LYS 129           HD2      LYS 129  14.726   1.544  -7.300
  971    HD3  LYS 129           HD3      LYS 129  14.608   1.108  -9.036
  972    HE2  LYS 129           HE2      LYS 129  16.550   2.784  -9.389
  973    HE3  LYS 129           HE3      LYS 129  16.736   2.775  -7.626
  974    HZ1  LYS 129           HZ1      LYS 129  17.184   0.338  -7.776
  975    HZ2  LYS 129           HZ2      LYS 129  17.025   0.404  -9.411
  976    HZ3  LYS 129           HZ3      LYS 129  18.241   1.199  -8.675
  977    H    ILE 130           H        ILE 130  10.753   3.767  -5.884
  978    HA   ILE 130           HA       ILE 130   8.343   2.574  -6.970
  979    HB   ILE 130           HB       ILE 130   8.102   1.740  -4.641
  980   HG12  ILE 130          HG12      ILE 130  10.599   3.188  -4.090
  981   HG13  ILE 130          HG13      ILE 130   9.137   3.066  -3.157
  982   HG21  ILE 130          HG21      ILE 130  10.698   0.950  -6.001
  983   HG22  ILE 130          HG22      ILE 130   9.579  -0.077  -5.058
  984   HG23  ILE 130          HG23      ILE 130   9.079   0.525  -6.617
  985   HD11  ILE 130          HD11      ILE 130  10.865   1.804  -2.039
  986   HD12  ILE 130          HD12      ILE 130   9.708   0.627  -2.708
  987   HD13  ILE 130          HD13      ILE 130  11.257   0.908  -3.517
  988    H    SER 131           H        SER 131   9.014   5.273  -4.718
  989    HA   SER 131           HA       SER 131   6.361   5.335  -3.734
  990    HB2  SER 131           HB2      SER 131   8.541   7.447  -3.697
  991    HB3  SER 131           HB3      SER 131   7.059   7.453  -2.712
  992    HG   SER 131           HG       SER 131   8.696   6.483  -1.473
  Start of MODEL    3
    1    H    MET   1           H        MET   1   1.521  -1.149   2.192
    2    HA   MET   1           HA       MET   1   1.190  -0.163  -0.574
    3    HB2  MET   1           HB2      MET   1   3.282   0.644   1.520
    4    HB3  MET   1           HB3      MET   1   3.225   1.194  -0.141
    5    HG2  MET   1           HG2      MET   1   1.356   1.931   2.085
    6    HG3  MET   1           HG3      MET   1   2.428   2.957   1.147
    7    HE1  MET   1           HE1      MET   1   1.951   2.577  -1.859
    8    HE2  MET   1           HE2      MET   1   0.524   3.584  -2.177
    9    HE3  MET   1           HE3      MET   1   1.788   4.165  -1.075
   10    H    LYS   2           H        LYS   2   3.558  -0.297  -1.703
   11    HA   LYS   2           HA       LYS   2   4.328  -3.050  -1.941
   12    HB2  LYS   2           HB2      LYS   2   6.216  -0.732  -2.609
   13    HB3  LYS   2           HB3      LYS   2   6.191  -2.346  -3.235
   14    HG2  LYS   2           HG2      LYS   2   5.329  -1.196  -5.000
   15    HG3  LYS   2           HG3      LYS   2   3.905  -1.839  -4.217
   16    HD2  LYS   2           HD2      LYS   2   3.285   0.335  -4.811
   17    HD3  LYS   2           HD3      LYS   2   3.627   0.525  -3.122
   18    HE2  LYS   2           HE2      LYS   2   5.047   2.218  -3.527
   19    HE3  LYS   2           HE3      LYS   2   6.093   1.125  -4.471
   20    HZ1  LYS   2           HZ1      LYS   2   4.639   1.587  -6.421
   21    HZ2  LYS   2           HZ2      LYS   2   3.766   2.660  -5.538
   22    HZ3  LYS   2           HZ3      LYS   2   5.350   2.945  -5.853
   23    H    LYS   3           H        LYS   3   5.957  -4.212  -0.804
   24    HA   LYS   3           HA       LYS   3   6.907  -2.793   1.656
   25    HB2  LYS   3           HB2      LYS   3   6.598  -5.761   1.367
   26    HB3  LYS   3           HB3      LYS   3   6.740  -4.799   2.838
   27    HG2  LYS   3           HG2      LYS   3   4.455  -3.904   2.408
   28    HG3  LYS   3           HG3      LYS   3   4.380  -4.853   0.912
   29    HD2  LYS   3           HD2      LYS   3   3.114  -5.790   2.866
   30    HD3  LYS   3           HD3      LYS   3   4.195  -6.888   2.015
   31    HE2  LYS   3           HE2      LYS   3   5.881  -6.711   3.766
   32    HE3  LYS   3           HE3      LYS   3   4.937  -5.463   4.614
   33    HZ1  LYS   3           HZ1      LYS   3   4.131  -8.309   4.236
   34    HZ2  LYS   3           HZ2      LYS   3   4.652  -7.635   5.628
   35    HZ3  LYS   3           HZ3      LYS   3   3.218  -7.165   4.992
   36    H    VAL   4           H        VAL   4   8.990  -2.967   2.331
   37    HA   VAL   4           HA       VAL   4  10.875  -4.060   0.330
   38    HB   VAL   4           HB       VAL   4  11.377  -1.614   2.009
   39   HG11  VAL   4          HG11      VAL   4  13.057  -1.178   0.129
   40   HG12  VAL   4          HG12      VAL   4  13.429  -2.565   1.140
   41   HG13  VAL   4          HG13      VAL   4  12.715  -2.834  -0.436
   42   HG21  VAL   4          HG21      VAL   4  10.952  -0.262  -0.101
   43   HG22  VAL   4          HG22      VAL   4  10.273  -1.717  -0.855
   44   HG23  VAL   4          HG23      VAL   4   9.487  -0.993   0.560
   45    H    MET   5           H        MET   5  13.003  -4.728   1.213
   46    HA   MET   5           HA       MET   5  13.018  -5.237   4.123
   47    HB2  MET   5           HB2      MET   5  12.156  -7.246   2.869
   48    HB3  MET   5           HB3      MET   5  13.696  -7.268   1.977
   49    HG2  MET   5           HG2      MET   5  13.710  -8.872   3.830
   50    HG3  MET   5           HG3      MET   5  14.944  -7.633   4.033
   51    HE1  MET   5           HE1      MET   5  11.778  -9.355   5.381
   52    HE2  MET   5           HE2      MET   5  11.142  -8.234   6.600
   53    HE3  MET   5           HE3      MET   5  11.025  -7.829   4.876
   54    H    PHE   6           H        PHE   6  15.038  -4.916   4.960
   55    HA   PHE   6           HA       PHE   6  17.318  -4.534   3.085
   56    HB2  PHE   6           HB2      PHE   6  16.701  -3.005   5.615
   57    HB3  PHE   6           HB3      PHE   6  18.202  -2.908   4.686
   58    HD1  PHE   6           HD2      PHE   6  14.555  -2.268   4.622
   59    HD2  PHE   6           HD1      PHE   6  18.302  -1.656   2.574
   60    HE1  PHE   6           HE2      PHE   6  13.428  -0.843   2.980
   61    HE2  PHE   6           HE1      PHE   6  17.180  -0.104   1.012
   62    HZ   PHE   6           HZ       PHE   6  14.747   0.338   1.211
   63    H    VAL   7           H        VAL   7  18.547  -6.356   3.373
   64    HA   VAL   7           HA       VAL   7  18.282  -7.846   5.887
   65    HB   VAL   7           HB       VAL   7  20.020  -8.623   3.540
   66   HG11  VAL   7          HG11      VAL   7  20.320  -9.899   5.633
   67   HG12  VAL   7          HG12      VAL   7  18.576 -10.238   5.689
   68   HG13  VAL   7          HG13      VAL   7  19.580 -10.894   4.378
   69   HG21  VAL   7          HG21      VAL   7  17.034  -9.155   3.955
   70   HG22  VAL   7          HG22      VAL   7  17.724  -8.221   2.617
   71   HG23  VAL   7          HG23      VAL   7  18.048  -9.952   2.733
   72    H    CYS   8           H        CYS   8  19.595  -7.697   7.503
   73    HA   CYS   8           HA       CYS   8  21.751  -5.806   7.700
   74    HB2  CYS   8           HB2      CYS   8  20.512  -7.847   9.549
   75    HB3  CYS   8           HB3      CYS   8  21.812  -6.773  10.044
   76    HG   CYS   8           HG       CYS   8  18.799  -6.054   8.842
   77    H    LYS   9           H        LYS   9  23.893  -6.265   8.365
   78    HA   LYS   9           HA       LYS   9  24.815  -9.016   8.343
   79    HB2  LYS   9           HB2      LYS   9  25.005  -7.844   5.918
   80    HB3  LYS   9           HB3      LYS   9  26.503  -7.223   6.572
   81    HG2  LYS   9           HG2      LYS   9  25.613 -10.119   6.261
   82    HG3  LYS   9           HG3      LYS   9  26.882  -9.298   5.348
   83    HD2  LYS   9           HD2      LYS   9  28.333  -9.238   7.338
   84    HD3  LYS   9           HD3      LYS   9  27.024  -9.933   8.323
   85    HE2  LYS   9           HE2      LYS   9  27.022 -11.942   6.772
   86    HE3  LYS   9           HE3      LYS   9  28.493 -11.295   6.028
   87    HZ1  LYS   9           HZ1      LYS   9  28.972 -12.904   7.788
   88    HZ2  LYS   9           HZ2      LYS   9  29.568 -11.444   8.224
   89    HZ3  LYS   9           HZ3      LYS   9  28.175 -12.007   8.905
   90    H    ARG  10           H        ARG  10  27.507  -6.991   8.109
   91    HA   ARG  10           HA       ARG  10  28.353  -7.618  10.620
   92    HB2  ARG  10           HB2      ARG  10  29.469  -6.477   8.443
   93    HB3  ARG  10           HB3      ARG  10  29.354  -5.026   9.413
   94    HG2  ARG  10           HG2      ARG  10  30.708  -7.647  10.218
   95    HG3  ARG  10           HG3      ARG  10  31.532  -6.268   9.498
   96    HD2  ARG  10           HD2      ARG  10  31.301  -4.934  11.459
   97    HD3  ARG  10           HD3      ARG  10  30.054  -5.964  12.126
   98    HE   ARG  10           HE       ARG  10  31.584  -7.425  12.949
   99   HH11  ARG  10          HH11      ARG  10  33.349  -5.215  10.731
  100   HH12  ARG  10          HH12      ARG  10  34.896  -5.692  11.338
  101   HH21  ARG  10          HH21      ARG  10  33.662  -8.052  13.683
  102   HH22  ARG  10          HH22      ARG  10  35.080  -7.327  13.031
  103    H    ASN  11           H        ASN  11  27.639  -7.164  12.553
  104    HA   ASN  11           HA       ASN  11  26.515  -6.290  14.273
  105    HB2  ASN  11           HB2      ASN  11  28.725  -5.111  14.369
  106    HB3  ASN  11           HB3      ASN  11  27.982  -3.728  13.560
  107   HD21  ASN  11          HD22      ASN  11  28.172  -2.231  15.293
  108   HD22  ASN  11          HD21      ASN  11  27.301  -2.425  16.796
  109    H    SER  12           H        SER  12  25.018  -6.140  11.761
  110    HA   SER  12           HA       SER  12  23.139  -5.447  10.864
  111    HB2  SER  12           HB2      SER  12  22.429  -4.533  13.667
  112    HB3  SER  12           HB3      SER  12  21.327  -5.029  12.378
  113    HG   SER  12           HG       SER  12  23.000  -6.517  14.046
  114    H    CYS  13           H        CYS  13  24.737  -2.809  12.417
  115    HA   CYS  13           HA       CYS  13  23.061  -0.728  12.269
  116    HB2  CYS  13           HB2      CYS  13  26.056  -0.741  11.661
  117    HB3  CYS  13           HB3      CYS  13  25.112   0.718  12.029
  118    HG   CYS  13           HG       CYS  13  25.417  -2.037  13.936
  119    H    ARG  14           H        ARG  14  25.102  -1.601   9.398
  120    HA   ARG  14           HA       ARG  14  24.269   0.734   7.981
  121    HB2  ARG  14           HB2      ARG  14  25.360  -0.122   6.037
  122    HB3  ARG  14           HB3      ARG  14  26.328  -0.486   7.449
  123    HG2  ARG  14           HG2      ARG  14  25.354  -2.877   7.375
  124    HG3  ARG  14           HG3      ARG  14  24.643  -2.430   5.816
  125    HD2  ARG  14           HD2      ARG  14  26.979  -1.857   5.000
  126    HD3  ARG  14           HD3      ARG  14  27.611  -2.468   6.529
  127    HE   ARG  14           HE       ARG  14  25.865  -4.361   5.099
  128   HH11  ARG  14          HH11      ARG  14  29.199  -3.181   5.253
  129   HH12  ARG  14          HH12      ARG  14  29.915  -4.681   4.782
  130   HH21  ARG  14          HH21      ARG  14  26.804  -6.247   4.103
  131   HH22  ARG  14          HH22      ARG  14  28.523  -6.446   4.102
  132    H    SER  15           H        SER  15  22.886  -2.582   7.700
  133    HA   SER  15           HA       SER  15  21.051  -1.593   5.698
  134    HB2  SER  15           HB2      SER  15  20.588  -4.216   6.949
  135    HB3  SER  15           HB3      SER  15  20.743  -3.744   5.252
  136    HG   SER  15           HG       SER  15  22.571  -4.998   5.821
  137    H    GLN  16           H        GLN  16  20.849  -2.319   9.220
  138    HA   GLN  16           HA       GLN  16  17.979  -2.042   9.257
  139    HB2  GLN  16           HB2      GLN  16  18.141  -2.379  11.481
  140    HB3  GLN  16           HB3      GLN  16  19.682  -3.045  11.010
  141    HG2  GLN  16           HG2      GLN  16  20.899  -1.099  11.698
  142    HG3  GLN  16           HG3      GLN  16  19.420  -0.176  11.979
  143   HE21  GLN  16          HE22      GLN  16  17.883  -1.016  13.587
  144   HE22  GLN  16          HE21      GLN  16  18.533  -1.748  15.044
  145    H    MET  17           H        MET  17  20.739   0.270   9.465
  146    HA   MET  17           HA       MET  17  19.145   2.612   9.821
  147    HB2  MET  17           HB2      MET  17  21.751   2.261   9.865
  148    HB3  MET  17           HB3      MET  17  21.642   2.529   8.100
  149    HG2  MET  17           HG2      MET  17  20.820   4.328  10.414
  150    HG3  MET  17           HG3      MET  17  22.223   4.529   9.372
  151    HE1  MET  17           HE1      MET  17  18.050   6.244   8.541
  152    HE2  MET  17           HE2      MET  17  18.220   4.720   9.461
  153    HE3  MET  17           HE3      MET  17  18.867   6.277  10.098
  154    H    ALA  18           H        ALA  18  20.134   0.812   6.883
  155    HA   ALA  18           HA       ALA  18  19.095   2.677   5.080
  156    HB1  ALA  18           HB1      ALA  18  19.237   0.888   3.447
  157    HB2  ALA  18           HB2      ALA  18  20.550   0.655   4.637
  158    HB3  ALA  18           HB3      ALA  18  19.089  -0.356   4.703
  159    H    GLU  19           H        GLU  19  17.362   0.099   6.871
  160    HA   GLU  19           HA       GLU  19  14.798   0.645   5.713
  161    HB2  GLU  19           HB2      GLU  19  15.334  -1.364   7.067
  162    HB3  GLU  19           HB3      GLU  19  15.476  -0.335   8.489
  163    HG2  GLU  19           HG2      GLU  19  12.939   0.332   7.575
  164    HG3  GLU  19           HG3      GLU  19  13.070  -1.348   7.100
  165    H    GLY  20           H        GLY  20  16.656   2.294   8.393
  166    HA2  GLY  20           HA2      GLY  20  14.364   3.731   9.387
  167    HA3  GLY  20           HA3      GLY  20  16.074   4.092   9.680
  168    H    PHE  21           H        PHE  21  17.012   4.514   7.023
  169    HA   PHE  21           HA       PHE  21  15.887   7.124   6.370
  170    HB2  PHE  21           HB2      PHE  21  17.852   5.253   5.036
  171    HB3  PHE  21           HB3      PHE  21  17.138   6.560   4.099
  172    HD1  PHE  21           HD2      PHE  21  17.059   8.927   5.704
  173    HD2  PHE  21           HD1      PHE  21  20.079   5.846   5.499
  174    HE1  PHE  21           HE2      PHE  21  18.774  10.541   6.460
  175    HE2  PHE  21           HE1      PHE  21  21.757   7.438   6.210
  176    HZ   PHE  21           HZ       PHE  21  21.130   9.816   6.738
  177    H    ALA  22           H        ALA  22  15.376   3.780   5.067
  178    HA   ALA  22           HA       ALA  22  13.838   4.775   2.885
  179    HB1  ALA  22           HB1      ALA  22  13.966   2.014   4.137
  180    HB2  ALA  22           HB2      ALA  22  13.187   2.385   2.575
  181    HB3  ALA  22           HB3      ALA  22  14.939   2.594   2.791
  182    H    LYS  23           H        LYS  23  12.775   3.700   6.169
  183    HA   LYS  23           HA       LYS  23  10.009   4.071   5.473
  184    HB2  LYS  23           HB2      LYS  23   9.502   3.465   7.667
  185    HB3  LYS  23           HB3      LYS  23  10.962   2.558   7.257
  186    HG2  LYS  23           HG2      LYS  23  12.226   4.521   8.435
  187    HG3  LYS  23           HG3      LYS  23  10.658   4.906   9.150
  188    HD2  LYS  23           HD2      LYS  23  12.248   2.323   9.374
  189    HD3  LYS  23           HD3      LYS  23  11.964   3.499  10.660
  190    HE2  LYS  23           HE2      LYS  23   9.534   2.973  10.638
  191    HE3  LYS  23           HE3      LYS  23   9.775   1.832   9.307
  192    HZ1  LYS  23           HZ1      LYS  23  10.879   1.549  12.046
  193    HZ2  LYS  23           HZ2      LYS  23   9.707   0.632  11.365
  194    HZ3  LYS  23           HZ3      LYS  23  11.254   0.540  10.790
  195    H    THR  24           H        THR  24  12.508   6.217   6.565
  196    HA   THR  24           HA       THR  24  10.841   8.455   7.281
  197    HB   THR  24           HB       THR  24  13.717   7.810   6.659
  198    HG1  THR  24           HG1      THR  24  13.250   7.401   8.683
  199   HG21  THR  24          HG21      THR  24  12.839  10.662   7.061
  200   HG22  THR  24          HG22      THR  24  14.509  10.012   7.114
  201   HG23  THR  24          HG23      THR  24  13.594   9.935   5.606
  202    H    LEU  25           H        LEU  25  12.706   7.558   4.371
  203    HA   LEU  25           HA       LEU  25  11.855   9.896   2.931
  204    HB2  LEU  25           HB2      LEU  25  13.573   7.506   2.330
  205    HB3  LEU  25           HB3      LEU  25  13.272   8.762   1.111
  206    HG   LEU  25           HG       LEU  25  14.584   9.198   3.810
  207   HD11  LEU  25          HD11      LEU  25  16.674   9.428   2.467
  208   HD12  LEU  25          HD12      LEU  25  15.989   7.814   2.309
  209   HD13  LEU  25          HD13      LEU  25  15.753   8.999   1.001
  210   HD21  LEU  25          HD21      LEU  25  15.257  11.398   2.849
  211   HD22  LEU  25          HD22      LEU  25  14.280  11.052   1.401
  212   HD23  LEU  25          HD23      LEU  25  13.507  11.261   2.991
  213    H    GLY  26           H        GLY  26  10.936   6.507   2.976
  214    HA2  GLY  26           HA2      GLY  26   9.380   6.628   0.473
  215    HA3  GLY  26           HA3      GLY  26   9.838   5.211   1.449
  216    H    ALA  27           H        ALA  27   8.665   7.865   3.269
  217    HA   ALA  27           HA       ALA  27   6.716   6.291   4.558
  218    HB1  ALA  27           HB1      ALA  27   7.102   9.328   4.572
  219    HB2  ALA  27           HB2      ALA  27   6.195   8.383   5.774
  220    HB3  ALA  27           HB3      ALA  27   7.955   8.184   5.619
  221    H    GLY  28           H        GLY  28   4.671   5.859   4.041
  222    HA2  GLY  28           HA2      GLY  28   2.539   6.118   3.221
  223    HA3  GLY  28           HA3      GLY  28   2.949   7.760   2.689
  224    H    LYS  29           H        LYS  29   5.224   5.529   1.436
  225    HA   LYS  29           HA       LYS  29   3.806   5.361  -1.143
  226    HB2  LYS  29           HB2      LYS  29   6.707   5.938  -0.488
  227    HB3  LYS  29           HB3      LYS  29   6.089   5.631  -2.110
  228    HG2  LYS  29           HG2      LYS  29   5.101   7.869  -0.300
  229    HG3  LYS  29           HG3      LYS  29   6.401   8.072  -1.467
  230    HD2  LYS  29           HD2      LYS  29   4.696   7.230  -3.261
  231    HD3  LYS  29           HD3      LYS  29   3.468   7.415  -2.015
  232    HE2  LYS  29           HE2      LYS  29   3.371   9.365  -3.329
  233    HE3  LYS  29           HE3      LYS  29   4.096   9.849  -1.795
  234    HZ1  LYS  29           HZ1      LYS  29   5.692   9.201  -4.232
  235    HZ2  LYS  29           HZ2      LYS  29   5.189  10.725  -3.867
  236    HZ3  LYS  29           HZ3      LYS  29   6.229   9.956  -2.871
  237    H    ILE  30           H        ILE  30   6.316   4.019   1.047
  238    HA   ILE  30           HA       ILE  30   5.541   1.320   0.212
  239    HB   ILE  30           HB       ILE  30   7.960   0.673   0.023
  240   HG12  ILE  30          HG12      ILE  30   9.492   2.486  -0.937
  241   HG13  ILE  30          HG13      ILE  30   8.465   3.687  -0.193
  242   HG21  ILE  30          HG21      ILE  30   7.956   1.092  -2.284
  243   HG22  ILE  30          HG22      ILE  30   6.255   1.211  -1.836
  244   HG23  ILE  30          HG23      ILE  30   7.195   2.692  -2.116
  245   HD11  ILE  30          HD11      ILE  30  10.555   3.094   1.083
  246   HD12  ILE  30          HD12      ILE  30   9.075   2.859   2.034
  247   HD13  ILE  30          HD13      ILE  30   9.913   1.458   1.307
  248    H    ALA  31           H        ALA  31   6.101  -0.265   1.645
  249    HA   ALA  31           HA       ALA  31   6.244   0.594   4.515
  250    HB1  ALA  31           HB1      ALA  31   4.326  -0.885   3.894
  251    HB2  ALA  31           HB2      ALA  31   5.488  -2.095   3.286
  252    HB3  ALA  31           HB3      ALA  31   5.451  -1.683   5.011
  253    H    VAL  32           H        VAL  32   7.917  -0.461   5.834
  254    HA   VAL  32           HA       VAL  32  10.138  -1.576   4.247
  255    HB   VAL  32           HB       VAL  32  10.491   0.604   6.279
  256   HG11  VAL  32          HG11      VAL  32  12.492   1.036   5.326
  257   HG12  VAL  32          HG12      VAL  32  12.395  -0.714   5.046
  258   HG13  VAL  32          HG13      VAL  32  11.998   0.429   3.727
  259   HG21  VAL  32          HG21      VAL  32  10.534   2.297   4.308
  260   HG22  VAL  32          HG22      VAL  32   9.603   1.101   3.440
  261   HG23  VAL  32          HG23      VAL  32   8.945   1.824   4.922
  262    H    THR  33           H        THR  33  11.319  -3.147   5.295
  263    HA   THR  33           HA       THR  33  11.273  -3.369   8.259
  264    HB   THR  33           HB       THR  33  10.838  -5.688   6.432
  265    HG1  THR  33           HG1      THR  33   8.840  -4.198   7.808
  266   HG21  THR  33          HG21      THR  33   9.838  -6.741   8.512
  267   HG22  THR  33          HG22      THR  33  11.578  -6.506   8.560
  268   HG23  THR  33          HG23      THR  33  10.515  -5.379   9.438
  269    H    SER  34           H        SER  34  13.096  -4.917   9.003
  270    HA   SER  34           HA       SER  34  15.228  -5.387   7.043
  271    HB2  SER  34           HB2      SER  34  16.924  -4.492   8.675
  272    HB3  SER  34           HB3      SER  34  15.953  -3.282   7.843
  273    HG   SER  34           HG       SER  34  14.668  -3.066   9.718
  274    H    CYS  35           H        CYS  35  16.755  -7.075   7.842
  275    HA   CYS  35           HA       CYS  35  15.903  -8.585  10.249
  276    HB2  CYS  35           HB2      CYS  35  15.228 -10.561   8.898
  277    HB3  CYS  35           HB3      CYS  35  14.217  -9.164   8.471
  278    HG   CYS  35           HG       CYS  35  14.627 -10.445   6.301
  279    H    GLY  36           H        GLY  36  17.119 -10.750  10.373
  280    HA2  GLY  36           HA2      GLY  36  19.048 -12.023  10.151
  281    HA3  GLY  36           HA3      GLY  36  19.481 -11.094   8.701
  282    H    LEU  37           H        LEU  37  18.843  -9.882  12.063
  283    HA   LEU  37           HA       LEU  37  21.063  -8.054  11.952
  284    HB2  LEU  37           HB2      LEU  37  18.897  -8.842  13.920
  285    HB3  LEU  37           HB3      LEU  37  20.365  -8.076  14.516
  286    HG   LEU  37           HG       LEU  37  19.755  -6.348  12.510
  287   HD11  LEU  37          HD11      LEU  37  17.015  -7.211  13.527
  288   HD12  LEU  37          HD12      LEU  37  17.385  -5.821  12.512
  289   HD13  LEU  37          HD13      LEU  37  17.658  -7.448  11.885
  290   HD21  LEU  37          HD21      LEU  37  20.268  -5.669  14.823
  291   HD22  LEU  37          HD22      LEU  37  18.805  -4.860  14.251
  292   HD23  LEU  37          HD23      LEU  37  18.692  -6.245  15.362
  293    H    GLU  38           H        GLU  38  23.157  -8.643  12.331
  294    HA   GLU  38           HA       GLU  38  23.765 -11.262  13.548
  295    HB2  GLU  38           HB2      GLU  38  25.525  -8.923  12.684
  296    HB3  GLU  38           HB3      GLU  38  26.127 -10.421  13.414
  297    HG2  GLU  38           HG2      GLU  38  24.897 -11.676  11.541
  298    HG3  GLU  38           HG3      GLU  38  24.770 -10.118  10.723
  299    H    SER  39           H        SER  39  22.422  -8.596  14.739
  300    HA   SER  39           HA       SER  39  23.576  -8.876  17.434
  301    HB2  SER  39           HB2      SER  39  23.722  -6.294  17.565
  302    HB3  SER  39           HB3      SER  39  25.036  -7.195  16.795
  303    HG   SER  39           HG       SER  39  24.249  -5.287  15.659
  304    H    SER  40           H        SER  40  21.460 -10.009  17.162
  305    HA   SER  40           HA       SER  40  18.982  -8.646  17.200
  306    HB2  SER  40           HB2      SER  40  19.839 -11.371  18.246
  307    HB3  SER  40           HB3      SER  40  18.156 -10.839  18.071
  308    HG   SER  40           HG       SER  40  19.018 -12.036  16.224
  309    H    ARG  41           H        ARG  41  19.957  -6.974  18.503
  310    HA   ARG  41           HA       ARG  41  18.990  -6.891  21.172
  311    HB2  ARG  41           HB2      ARG  41  21.130  -6.253  22.229
  312    HB3  ARG  41           HB3      ARG  41  21.046  -7.944  21.757
  313    HG2  ARG  41           HG2      ARG  41  22.320  -6.390  19.630
  314    HG3  ARG  41           HG3      ARG  41  23.073  -6.018  21.182
  315    HD2  ARG  41           HD2      ARG  41  23.363  -8.468  21.600
  316    HD3  ARG  41           HD3      ARG  41  22.691  -8.789  19.982
  317    HE   ARG  41           HE       ARG  41  24.910  -6.921  19.916
  318   HH11  ARG  41          HH11      ARG  41  24.304 -10.402  20.371
  319   HH12  ARG  41          HH12      ARG  41  25.844 -10.887  19.775
  320   HH21  ARG  41          HH21      ARG  41  26.975  -7.576  19.126
  321   HH22  ARG  41          HH22      ARG  41  27.398  -9.245  19.072
  322    H    VAL  42           H        VAL  42  20.538  -5.579  18.397
  323    HA   VAL  42           HA       VAL  42  20.489  -3.628  17.307
  324    HB   VAL  42           HB       VAL  42  18.227  -3.306  18.960
  325   HG11  VAL  42          HG11      VAL  42  19.566  -1.750  20.476
  326   HG12  VAL  42          HG12      VAL  42  19.704  -0.641  19.104
  327   HG13  VAL  42          HG13      VAL  42  18.109  -1.064  19.745
  328   HG21  VAL  42          HG21      VAL  42  18.305  -3.023  16.556
  329   HG22  VAL  42          HG22      VAL  42  17.511  -1.661  17.358
  330   HG23  VAL  42          HG23      VAL  42  19.178  -1.465  16.766
  331    H    HIS  43           H        HIS  43  21.470  -1.277  17.659
  332    HA   HIS  43           HA       HIS  43  23.712  -1.546  19.597
  333    HB2  HIS  43           HB2      HIS  43  24.238  -2.556  17.391
  334    HB3  HIS  43           HB3      HIS  43  23.921  -1.015  16.612
  335    HD1  HIS  43           HD1      HIS  43  26.317  -2.373  19.405
  336    HD2  HIS  43           HD2      HIS  43  26.007   0.617  16.448
  337    HE1  HIS  43           HE1      HIS  43  28.517  -1.101  19.423
  338    HA   PRO  44           HA       PRO  44  21.944   2.505  20.184
  339    HB2  PRO  44           HB2      PRO  44  23.490   3.500  22.191
  340    HB3  PRO  44           HB3      PRO  44  22.372   2.121  22.439
  341    HG2  PRO  44           HG2      PRO  44  25.320   1.994  21.707
  342    HG3  PRO  44           HG3      PRO  44  24.526   1.231  23.140
  343    HD2  PRO  44           HD2      PRO  44  24.868  -0.243  20.941
  344    HD3  PRO  44           HD3      PRO  44  23.241  -0.268  21.713
  345    H    THR  45           H        THR  45  25.470   2.199  19.427
  346    HA   THR  45           HA       THR  45  25.887   4.924  19.052
  347    HB   THR  45           HB       THR  45  27.187   2.775  17.323
  348    HG1  THR  45           HG1      THR  45  28.072   1.986  19.019
  349   HG21  THR  45          HG21      THR  45  27.850   5.061  16.722
  350   HG22  THR  45          HG22      THR  45  28.209   5.442  18.415
  351   HG23  THR  45          HG23      THR  45  29.192   4.248  17.535
  352    H    ALA  46           H        ALA  46  24.330   2.504  16.923
  353    HA   ALA  46           HA       ALA  46  24.282   4.195  14.584
  354    HB1  ALA  46           HB1      ALA  46  24.000   1.688  14.569
  355    HB2  ALA  46           HB2      ALA  46  22.381   1.906  15.270
  356    HB3  ALA  46           HB3      ALA  46  22.772   2.554  13.653
  357    H    ILE  47           H        ILE  47  22.095   3.631  17.355
  358    HA   ILE  47           HA       ILE  47  19.926   5.241  16.421
  359    HB   ILE  47           HB       ILE  47  20.813   4.390  19.131
  360   HG12  ILE  47          HG12      ILE  47  18.582   3.355  19.172
  361   HG13  ILE  47          HG13      ILE  47  18.322   3.840  17.495
  362   HG21  ILE  47          HG21      ILE  47  19.863   6.620  19.559
  363   HG22  ILE  47          HG22      ILE  47  18.453   6.231  18.550
  364   HG23  ILE  47          HG23      ILE  47  18.730   5.395  20.094
  365   HD11  ILE  47          HD11      ILE  47  20.390   1.896  18.594
  366   HD12  ILE  47          HD12      ILE  47  18.917   1.485  17.711
  367   HD13  ILE  47          HD13      ILE  47  20.232   2.328  16.868
  368    H    ALA  48           H        ALA  48  22.764   6.145  18.513
  369    HA   ALA  48           HA       ALA  48  22.056   8.875  18.656
  370    HB1  ALA  48           HB1      ALA  48  23.790   7.918  20.087
  371    HB2  ALA  48           HB2      ALA  48  24.841   7.631  18.672
  372    HB3  ALA  48           HB3      ALA  48  24.424   9.298  19.157
  373    H    MET  49           H        MET  49  24.085   7.163  16.291
  374    HA   MET  49           HA       MET  49  24.747   9.421  14.698
  375    HB2  MET  49           HB2      MET  49  24.660   6.435  14.180
  376    HB3  MET  49           HB3      MET  49  25.244   7.591  12.968
  377    HG2  MET  49           HG2      MET  49  26.361   7.503  15.788
  378    HG3  MET  49           HG3      MET  49  26.933   6.443  14.534
  379    HE1  MET  49           HE1      MET  49  27.743   9.227  16.411
  380    HE2  MET  49           HE2      MET  49  28.181  10.623  15.377
  381    HE3  MET  49           HE3      MET  49  26.474  10.190  15.644
  382    H    MET  50           H        MET  50  21.714   7.694  14.922
  383    HA   MET  50           HA       MET  50  20.797   8.977  12.400
  384    HB2  MET  50           HB2      MET  50  19.444   6.954  14.235
  385    HB3  MET  50           HB3      MET  50  18.771   7.626  12.755
  386    HG2  MET  50           HG2      MET  50  20.889   5.605  13.081
  387    HG3  MET  50           HG3      MET  50  19.581   5.680  11.950
  388    HE1  MET  50           HE1      MET  50  23.862   6.181  11.062
  389    HE2  MET  50           HE2      MET  50  23.207   6.159  12.708
  390    HE3  MET  50           HE3      MET  50  22.822   4.837  11.610
  391    H    GLU  51           H        GLU  51  20.518   9.211  15.911
  392    HA   GLU  51           HA       GLU  51  18.432  11.123  15.922
  393    HB2  GLU  51           HB2      GLU  51  19.283   9.757  17.870
  394    HB3  GLU  51           HB3      GLU  51  20.762  10.717  17.886
  395    HG2  GLU  51           HG2      GLU  51  19.440  12.760  18.379
  396    HG3  GLU  51           HG3      GLU  51  17.947  11.828  18.279
  397    H    GLU  52           H        GLU  52  21.890  11.363  15.262
  398    HA   GLU  52           HA       GLU  52  22.239  14.157  15.195
  399    HB2  GLU  52           HB2      GLU  52  23.339  12.004  13.340
  400    HB3  GLU  52           HB3      GLU  52  23.842  13.691  13.302
  401    HG2  GLU  52           HG2      GLU  52  24.421  13.348  15.829
  402    HG3  GLU  52           HG3      GLU  52  24.413  11.626  15.423
  403    H    VAL  53           H        VAL  53  20.289  12.149  13.062
  404    HA   VAL  53           HA       VAL  53  19.825  14.427  11.223
  405    HB   VAL  53           HB       VAL  53  19.664  12.671   9.455
  406   HG11  VAL  53          HG11      VAL  53  21.642  14.133   9.698
  407   HG12  VAL  53          HG12      VAL  53  22.407  12.924  10.756
  408   HG13  VAL  53          HG13      VAL  53  22.068  12.544   9.051
  409   HG21  VAL  53          HG21      VAL  53  20.753  10.530   9.663
  410   HG22  VAL  53          HG22      VAL  53  21.168  10.847  11.358
  411   HG23  VAL  53          HG23      VAL  53  19.462  10.634  10.865
  412    H    GLY  54           H        GLY  54  18.351  13.128  13.671
  413    HA2  GLY  54           HA2      GLY  54  16.167  13.140  14.304
  414    HA3  GLY  54           HA3      GLY  54  15.770  13.878  12.748
  415    H    ILE  55           H        ILE  55  17.231  10.636  13.385
  416    HA   ILE  55           HA       ILE  55  14.779   9.316  12.419
  417    HB   ILE  55           HB       ILE  55  17.560   8.665  11.414
  418   HG12  ILE  55          HG12      ILE  55  15.073   9.868  10.142
  419   HG13  ILE  55          HG13      ILE  55  16.663  10.621  10.346
  420   HG21  ILE  55          HG21      ILE  55  16.383   6.903  10.083
  421   HG22  ILE  55          HG22      ILE  55  16.313   6.571  11.784
  422   HG23  ILE  55          HG23      ILE  55  14.885   7.253  10.952
  423   HD11  ILE  55          HD11      ILE  55  16.576   9.975   8.107
  424   HD12  ILE  55          HD12      ILE  55  17.592   8.752   8.907
  425   HD13  ILE  55          HD13      ILE  55  15.882   8.382   8.521
  426    H    ASP  56           H        ASP  56  14.643   7.082  13.296
  427    HA   ASP  56           HA       ASP  56  16.417   6.450  15.592
  428    HB2  ASP  56           HB2      ASP  56  14.628   7.481  16.773
  429    HB3  ASP  56           HB3      ASP  56  13.407   6.734  15.736
  430    H    ILE  57           H        ILE  57  16.655   4.303  15.916
  431    HA   ILE  57           HA       ILE  57  15.328   2.296  14.236
  432    HB   ILE  57           HB       ILE  57  17.623   1.448  13.581
  433   HG12  ILE  57          HG12      ILE  57  18.574   4.270  14.180
  434   HG13  ILE  57          HG13      ILE  57  19.050   2.792  15.032
  435   HG21  ILE  57          HG21      ILE  57  17.018   4.123  12.265
  436   HG22  ILE  57          HG22      ILE  57  17.519   2.583  11.514
  437   HG23  ILE  57          HG23      ILE  57  15.884   2.774  12.131
  438   HD11  ILE  57          HD11      ILE  57  20.740   3.431  13.404
  439   HD12  ILE  57          HD12      ILE  57  20.008   1.894  12.915
  440   HD13  ILE  57          HD13      ILE  57  19.563   3.407  12.083
  441    H    SER  58           H        SER  58  15.710   3.123  17.253
  442    HA   SER  58           HA       SER  58  16.901   0.773  18.419
  443    HB2  SER  58           HB2      SER  58  15.677   1.540  20.472
  444    HB3  SER  58           HB3      SER  58  16.818   2.685  19.792
  445    HG   SER  58           HG       SER  58  15.081   3.866  18.891
  446    H    GLY  59           H        GLY  59  13.530   1.709  17.602
  447    HA2  GLY  59           HA2      GLY  59  12.353  -0.656  18.739
  448    HA3  GLY  59           HA3      GLY  59  11.566   0.541  17.701
  449    H    GLN  60           H        GLN  60  14.393  -0.724  16.246
  450    HA   GLN  60           HA       GLN  60  12.861  -2.131  14.228
  451    HB2  GLN  60           HB2      GLN  60  15.771  -1.379  14.592
  452    HB3  GLN  60           HB3      GLN  60  15.271  -2.478  13.297
  453    HG2  GLN  60           HG2      GLN  60  13.600  -0.789  12.558
  454    HG3  GLN  60           HG3      GLN  60  14.297   0.362  13.728
  455   HE21  GLN  60          HE22      GLN  60  14.253   0.457  10.693
  456   HE22  GLN  60          HE21      GLN  60  15.971   0.592  10.271
  457    H    THR  61           H        THR  61  14.412  -4.168  13.433
  458    HA   THR  61           HA       THR  61  13.279  -6.202  15.031
  459    HB   THR  61           HB       THR  61  14.489  -7.552  13.080
  460    HG1  THR  61           HG1      THR  61  14.609  -6.087  11.264
  461   HG21  THR  61          HG21      THR  61  12.581  -7.073  11.643
  462   HG22  THR  61          HG22      THR  61  12.038  -7.178  13.322
  463   HG23  THR  61          HG23      THR  61  12.225  -5.583  12.545
  464    H    SER  62           H        SER  62  14.418  -8.241  15.392
  465    HA   SER  62           HA       SER  62  17.257  -8.346  15.855
  466    HB2  SER  62           HB2      SER  62  15.261  -8.210  18.169
  467    HB3  SER  62           HB3      SER  62  16.770  -9.113  18.322
  468    HG   SER  62           HG       SER  62  16.608  -6.360  17.591
  469    H    ASP  63           H        ASP  63  16.074  -9.611  13.917
  470    HA   ASP  63           HA       ASP  63  15.150 -12.262  14.878
  471    HB2  ASP  63           HB2      ASP  63  13.659 -10.482  12.909
  472    HB3  ASP  63           HB3      ASP  63  13.202 -12.112  13.397
  473    HA   PRO  64           HA       PRO  64  17.661 -13.346  11.402
  474    HB2  PRO  64           HB2      PRO  64  17.177 -16.010  11.123
  475    HB3  PRO  64           HB3      PRO  64  17.893 -15.326  12.611
  476    HG2  PRO  64           HG2      PRO  64  14.979 -15.998  12.102
  477    HG3  PRO  64           HG3      PRO  64  15.992 -16.484  13.499
  478    HD2  PRO  64           HD2      PRO  64  14.344 -14.294  13.576
  479    HD3  PRO  64           HD3      PRO  64  15.915 -14.338  14.434
  480    H    ILE  65           H        ILE  65  17.691 -14.037   9.152
  481    HA   ILE  65           HA       ILE  65  15.574 -13.046   7.572
  482    HB   ILE  65           HB       ILE  65  17.963 -13.149   6.914
  483   HG12  ILE  65          HG12      ILE  65  16.147 -14.591   4.919
  484   HG13  ILE  65          HG13      ILE  65  16.260 -12.849   5.189
  485   HG21  ILE  65          HG21      ILE  65  19.085 -15.167   6.210
  486   HG22  ILE  65          HG22      ILE  65  18.459 -15.476   7.821
  487   HG23  ILE  65          HG23      ILE  65  17.616 -16.137   6.409
  488   HD11  ILE  65          HD11      ILE  65  17.536 -13.338   3.240
  489   HD12  ILE  65          HD12      ILE  65  18.716 -12.999   4.519
  490   HD13  ILE  65          HD13      ILE  65  18.406 -14.671   4.018
  491    H    GLU  66           H        GLU  66  16.280 -16.314   8.687
  492    HA   GLU  66           HA       GLU  66  14.563 -17.640   6.884
  493    HB2  GLU  66           HB2      GLU  66  15.832 -18.300   9.557
  494    HB3  GLU  66           HB3      GLU  66  14.769 -19.483   8.778
  495    HG2  GLU  66           HG2      GLU  66  17.268 -18.284   7.507
  496    HG3  GLU  66           HG3      GLU  66  17.212 -19.821   8.353
  497    H    ASN  67           H        ASN  67  13.770 -15.869   9.795
  498    HA   ASN  67           HA       ASN  67  11.169 -17.123  10.006
  499    HB2  ASN  67           HB2      ASN  67  11.036 -16.259  12.018
  500    HB3  ASN  67           HB3      ASN  67  12.703 -15.741  11.850
  501   HD21  ASN  67          HD22      ASN  67  13.031 -13.484  10.845
  502   HD22  ASN  67          HD21      ASN  67  11.801 -12.284  11.183
  503    H    PHE  68           H        PHE  68  12.538 -14.844   7.865
  504    HA   PHE  68           HA       PHE  68   9.966 -13.468   7.412
  505    HB2  PHE  68           HB2      PHE  68  12.825 -12.721   6.737
  506    HB3  PHE  68           HB3      PHE  68  11.472 -11.983   5.918
  507    HD1  PHE  68           HD2      PHE  68   9.661 -10.775   7.240
  508    HD2  PHE  68           HD1      PHE  68  13.437 -11.943   8.949
  509    HE1  PHE  68           HE2      PHE  68   9.347  -9.112   9.038
  510    HE2  PHE  68           HE1      PHE  68  13.156 -10.212  10.722
  511    HZ   PHE  68           HZ       PHE  68  11.103  -8.811  10.781
  512    H    ASN  69           H        ASN  69   9.682 -12.943   5.000
  513    HA   ASN  69           HA       ASN  69  10.464 -15.067   3.133
  514    HB2  ASN  69           HB2      ASN  69   7.973 -15.284   2.499
  515    HB3  ASN  69           HB3      ASN  69   8.632 -16.247   3.804
  516   HD21  ASN  69          HD22      ASN  69   7.163 -12.934   3.521
  517   HD22  ASN  69          HD21      ASN  69   6.047 -13.164   4.864
  518    H    ALA  70           H        ALA  70  11.500 -13.659   1.832
  519    HA   ALA  70           HA       ALA  70  10.778 -11.083   1.059
  520    HB1  ALA  70           HB1      ALA  70  12.096 -13.358  -0.453
  521    HB2  ALA  70           HB2      ALA  70  11.923 -11.719  -1.098
  522    HB3  ALA  70           HB3      ALA  70  12.858 -11.952   0.385
  523    H    ASP  71           H        ASP  71   9.282 -14.132   0.200
  524    HA   ASP  71           HA       ASP  71   7.953 -13.513  -2.202
  525    HB2  ASP  71           HB2      ASP  71   7.902 -15.741  -1.196
  526    HB3  ASP  71           HB3      ASP  71   6.987 -15.119   0.189
  527    H    ASP  72           H        ASP  72   7.466 -12.256   1.016
  528    HA   ASP  72           HA       ASP  72   4.963 -10.871   0.183
  529    HB2  ASP  72           HB2      ASP  72   4.928 -12.408   2.199
  530    HB3  ASP  72           HB3      ASP  72   5.991 -11.233   2.998
  531    H    TYR  73           H        TYR  73   8.054 -10.000  -0.229
  532    HA   TYR  73           HA       TYR  73   7.374  -7.250   0.411
  533    HB2  TYR  73           HB2      TYR  73  10.154  -8.329   0.886
  534    HB3  TYR  73           HB3      TYR  73   9.600  -6.653   1.103
  535    HD1  TYR  73           HD2      TYR  73   9.154 -10.133   2.355
  536    HD2  TYR  73           HD1      TYR  73   8.733  -5.948   3.211
  537    HE1  TYR  73           HE2      TYR  73   8.357 -10.725   4.597
  538    HE2  TYR  73           HE1      TYR  73   7.964  -6.499   5.516
  539    HH   TYR  73           HH       TYR  73   7.456  -9.867   6.646
  540    H    ASP  74           H        ASP  74   7.256  -6.199  -1.386
  541    HA   ASP  74           HA       ASP  74   7.810  -7.470  -3.868
  542    HB2  ASP  74           HB2      ASP  74   7.382  -4.491  -3.374
  543    HB3  ASP  74           HB3      ASP  74   7.054  -5.377  -4.859
  544    H    VAL  75           H        VAL  75   9.978  -5.644  -1.877
  545    HA   VAL  75           HA       VAL  75  11.917  -5.308  -4.105
  546    HB   VAL  75           HB       VAL  75  10.650  -3.325  -2.368
  547   HG11  VAL  75          HG11      VAL  75  12.169  -1.682  -2.449
  548   HG12  VAL  75          HG12      VAL  75  13.332  -3.024  -2.596
  549   HG13  VAL  75          HG13      VAL  75  12.783  -2.117  -4.018
  550   HG21  VAL  75          HG21      VAL  75   9.464  -3.492  -4.403
  551   HG22  VAL  75          HG22      VAL  75  10.318  -1.965  -4.371
  552   HG23  VAL  75          HG23      VAL  75  10.959  -3.312  -5.342
  553    H    VAL  76           H        VAL  76  13.919  -6.054  -3.392
  554    HA   VAL  76           HA       VAL  76  14.281  -6.439  -0.470
  555    HB   VAL  76           HB       VAL  76  14.304  -8.282  -2.897
  556   HG11  VAL  76          HG11      VAL  76  15.479 -10.001  -1.674
  557   HG12  VAL  76          HG12      VAL  76  16.528  -8.619  -1.931
  558   HG13  VAL  76          HG13      VAL  76  15.807  -8.844  -0.331
  559   HG21  VAL  76          HG21      VAL  76  13.299  -8.698  -0.037
  560   HG22  VAL  76          HG22      VAL  76  12.290  -8.193  -1.402
  561   HG23  VAL  76          HG23      VAL  76  13.067  -9.781  -1.426
  562    H    ILE  77           H        ILE  77  16.207  -5.850   0.242
  563    HA   ILE  77           HA       ILE  77  18.368  -5.178  -1.663
  564    HB   ILE  77           HB       ILE  77  17.505  -3.515   0.726
  565   HG12  ILE  77          HG12      ILE  77  15.611  -3.393  -0.856
  566   HG13  ILE  77          HG13      ILE  77  16.445  -1.884  -0.712
  567   HG21  ILE  77          HG21      ILE  77  18.911  -1.809  -0.294
  568   HG22  ILE  77          HG22      ILE  77  19.855  -3.287  -0.075
  569   HG23  ILE  77          HG23      ILE  77  19.274  -2.863  -1.681
  570   HD11  ILE  77          HD11      ILE  77  15.715  -2.728  -3.071
  571   HD12  ILE  77          HD12      ILE  77  17.315  -1.972  -2.900
  572   HD13  ILE  77          HD13      ILE  77  17.173  -3.724  -3.007
  573    H    SER  78           H        SER  78  19.659  -6.890  -1.139
  574    HA   SER  78           HA       SER  78  19.803  -7.690   1.704
  575    HB2  SER  78           HB2      SER  78  20.430  -9.370  -0.716
  576    HB3  SER  78           HB3      SER  78  20.144  -9.897   0.968
  577    HG   SER  78           HG       SER  78  18.301 -10.107  -0.495
  578    H    LEU  79           H        LEU  79  21.375  -6.247   2.384
  579    HA   LEU  79           HA       LEU  79  23.873  -5.779   1.092
  580    HB2  LEU  79           HB2      LEU  79  22.987  -5.089   3.917
  581    HB3  LEU  79           HB3      LEU  79  24.391  -4.461   3.069
  582    HG   LEU  79           HG       LEU  79  22.845  -3.377   1.427
  583   HD11  LEU  79          HD11      LEU  79  20.770  -4.360   1.573
  584   HD12  LEU  79          HD12      LEU  79  20.724  -4.374   3.325
  585   HD13  LEU  79          HD13      LEU  79  20.512  -2.845   2.422
  586   HD21  LEU  79          HD21      LEU  79  22.355  -1.470   2.891
  587   HD22  LEU  79          HD22      LEU  79  22.749  -2.480   4.304
  588   HD23  LEU  79          HD23      LEU  79  23.988  -2.105   3.088
  589    H    CYS  80           H        CYS  80  23.242  -8.563   1.811
  590    HA   CYS  80           HA       CYS  80  25.052  -9.513   3.817
  591    HB2  CYS  80           HB2      CYS  80  24.037 -11.081   1.388
  592    HB3  CYS  80           HB3      CYS  80  24.469 -11.638   3.004
  593    HG   CYS  80           HG       CYS  80  21.948 -11.954   2.826
  594    H    GLY  81           H        GLY  81  25.691  -7.800   1.009
  595    HA2  GLY  81           HA2      GLY  81  27.872  -7.271   0.294
  596    HA3  GLY  81           HA3      GLY  81  28.515  -8.714   1.082
  597    H    CYS  82           H        CYS  82  25.760  -8.665  -1.125
  598    HA   CYS  82           HA       CYS  82  25.205 -10.111  -2.776
  599    HB2  CYS  82           HB2      CYS  82  26.630  -8.065  -3.649
  600    HB3  CYS  82           HB3      CYS  82  27.745  -9.324  -4.184
  601    HG   CYS  82           HG       CYS  82  25.965 -10.698  -5.524
  602    H    GLY  83           H        GLY  83  27.086 -11.477  -0.748
  603    HA2  GLY  83           HA2      GLY  83  28.250 -13.607  -2.480
  604    HA3  GLY  83           HA3      GLY  83  28.754 -13.182  -0.835
  605    H    VAL  84           H        VAL  84  25.357 -13.349  -1.711
  606    HA   VAL  84           HA       VAL  84  24.985 -15.867  -0.250
  607    HB   VAL  84           HB       VAL  84  23.390 -13.359   0.310
  608   HG11  VAL  84          HG11      VAL  84  22.429 -14.678   2.150
  609   HG12  VAL  84          HG12      VAL  84  22.193 -15.559   0.633
  610   HG13  VAL  84          HG13      VAL  84  23.477 -16.058   1.745
  611   HG21  VAL  84          HG21      VAL  84  25.731 -14.650   1.771
  612   HG22  VAL  84          HG22      VAL  84  25.529 -12.943   1.276
  613   HG23  VAL  84          HG23      VAL  84  24.555 -13.644   2.604
  614    H    ASN  85           H        ASN  85  23.878 -17.193  -1.461
  615    HA   ASN  85           HA       ASN  85  22.844 -16.449  -4.033
  616    HB2  ASN  85           HB2      ASN  85  23.581 -18.598  -4.085
  617    HB3  ASN  85           HB3      ASN  85  23.188 -18.920  -2.408
  618   HD21  ASN  85          HD22      ASN  85  21.321 -19.996  -1.889
  619   HD22  ASN  85          HD21      ASN  85  20.101 -20.458  -3.060
  620    H    LEU  86           H        LEU  86  21.311 -17.206  -0.938
  621    HA   LEU  86           HA       LEU  86  19.349 -16.774   0.019
  622    HB2  LEU  86           HB2      LEU  86  18.708 -14.916  -2.292
  623    HB3  LEU  86           HB3      LEU  86  17.834 -15.010  -0.781
  624    HG   LEU  86           HG       LEU  86  20.772 -14.221  -0.920
  625   HD11  LEU  86          HD11      LEU  86  18.341 -12.401  -0.832
  626   HD12  LEU  86          HD12      LEU  86  20.059 -11.907  -0.763
  627   HD13  LEU  86          HD13      LEU  86  19.404 -12.636  -2.235
  628   HD21  LEU  86          HD21      LEU  86  19.940 -14.978   1.324
  629   HD22  LEU  86          HD22      LEU  86  20.358 -13.259   1.304
  630   HD23  LEU  86          HD23      LEU  86  18.653 -13.764   1.228
  631    HA   PRO  87           HA       PRO  87  16.376 -19.587  -1.797
  632    HB2  PRO  87           HB2      PRO  87  14.244 -17.912  -0.534
  633    HB3  PRO  87           HB3      PRO  87  14.485 -19.675  -0.440
  634    HG2  PRO  87           HG2      PRO  87  15.151 -18.035   1.666
  635    HG3  PRO  87           HG3      PRO  87  16.148 -19.459   1.235
  636    HD2  PRO  87           HD2      PRO  87  16.665 -16.554   0.620
  637    HD3  PRO  87           HD3      PRO  87  17.802 -17.846   1.086
  638    HA   PRO  88           HA       PRO  88  15.448 -17.377  -5.337
  639    HB2  PRO  88           HB2      PRO  88  13.338 -18.697  -6.609
  640    HB3  PRO  88           HB3      PRO  88  15.020 -19.304  -6.495
  641    HG2  PRO  88           HG2      PRO  88  12.673 -19.957  -4.692
  642    HG3  PRO  88           HG3      PRO  88  13.842 -21.092  -5.447
  643    HD2  PRO  88           HD2      PRO  88  14.132 -20.295  -2.878
  644    HD3  PRO  88           HD3      PRO  88  15.560 -20.462  -3.947
  645    H    GLU  89           H        GLU  89  12.788 -17.429  -3.048
  646    HA   GLU  89           HA       GLU  89  11.023 -15.707  -4.479
  647    HB2  GLU  89           HB2      GLU  89  10.076 -15.274  -2.211
  648    HB3  GLU  89           HB3      GLU  89  10.125 -16.974  -2.687
  649    HG2  GLU  89           HG2      GLU  89  12.088 -17.354  -1.266
  650    HG3  GLU  89           HG3      GLU  89  12.128 -15.645  -0.823
  651    H    TRP  90           H        TRP  90  13.975 -15.195  -2.659
  652    HA   TRP  90           HA       TRP  90  13.585 -12.382  -2.279
  653    HB2  TRP  90           HB2      TRP  90  16.075 -14.125  -2.305
  654    HB3  TRP  90           HB3      TRP  90  16.086 -12.417  -1.895
  655    HD1  TRP  90           HD1      TRP  90  14.566 -15.722  -0.528
  656    HE1  TRP  90           HE1      TRP  90  14.069 -15.480   1.982
  657    HE3  TRP  90           HE3      TRP  90  16.082 -10.941   0.151
  658    HZ2  TRP  90           HZ2      TRP  90  13.932 -13.338   3.906
  659    HZ3  TRP  90           HZ3      TRP  90  15.535  -9.689   2.212
  660    HH2  TRP  90           HH2      TRP  90  14.486 -10.921   4.142
  661    H    VAL  91           H        VAL  91  14.011 -14.082  -5.172
  662    HA   VAL  91           HA       VAL  91  15.555 -11.962  -6.456
  663    HB   VAL  91           HB       VAL  91  14.927 -14.711  -7.330
  664   HG11  VAL  91          HG11      VAL  91  16.799 -14.478  -8.928
  665   HG12  VAL  91          HG12      VAL  91  15.491 -13.341  -9.256
  666   HG13  VAL  91          HG13      VAL  91  16.971 -12.775  -8.452
  667   HG21  VAL  91          HG21      VAL  91  17.315 -15.250  -6.748
  668   HG22  VAL  91          HG22      VAL  91  17.439 -13.657  -5.975
  669   HG23  VAL  91          HG23      VAL  91  16.329 -14.891  -5.338
  670    H    THR  92           H        THR  92  12.357 -13.510  -6.463
  671    HA   THR  92           HA       THR  92  11.670 -12.791  -9.139
  672    HB   THR  92           HB       THR  92   9.378 -13.607  -8.278
  673    HG1  THR  92           HG1      THR  92   9.317 -14.390  -6.219
  674   HG21  THR  92          HG21      THR  92  10.181 -15.936  -8.086
  675   HG22  THR  92          HG22      THR  92  11.058 -15.079  -9.369
  676   HG23  THR  92          HG23      THR  92  11.836 -15.350  -7.798
  677    H    GLN  93           H        GLN  93  11.524 -11.040  -6.197
  678    HA   GLN  93           HA       GLN  93   9.504  -9.253  -6.333
  679    HB2  GLN  93           HB2      GLN  93  12.426  -9.126  -5.474
  680    HB3  GLN  93           HB3      GLN  93  11.223  -7.967  -4.925
  681    HG2  GLN  93           HG2      GLN  93  11.755 -10.746  -4.112
  682    HG3  GLN  93           HG3      GLN  93  11.267  -9.379  -3.147
  683   HE21  GLN  93          HE22      GLN  93  10.347 -12.325  -4.041
  684   HE22  GLN  93          HE21      GLN  93   8.592 -12.194  -4.153
  685    H    GLU  94           H        GLU  94   9.656  -6.861  -6.630
  686    HA   GLU  94           HA       GLU  94  10.065  -6.246  -9.390
  687    HB2  GLU  94           HB2      GLU  94   8.217  -5.160  -8.465
  688    HB3  GLU  94           HB3      GLU  94   8.980  -4.955  -6.906
  689    HG2  GLU  94           HG2      GLU  94   8.672  -2.834  -7.832
  690    HG3  GLU  94           HG3      GLU  94  10.370  -3.215  -7.635
  691    H    ILE  95           H        ILE  95  11.697  -5.665  -6.268
  692    HA   ILE  95           HA       ILE  95  14.131  -4.958  -7.856
  693    HB   ILE  95           HB       ILE  95  13.283  -3.777  -5.211
  694   HG12  ILE  95          HG12      ILE  95  12.403  -2.586  -7.155
  695   HG13  ILE  95          HG13      ILE  95  13.535  -1.635  -6.188
  696   HG21  ILE  95          HG21      ILE  95  15.529  -2.555  -5.337
  697   HG22  ILE  95          HG22      ILE  95  15.622  -4.275  -4.933
  698   HG23  ILE  95          HG23      ILE  95  16.016  -3.721  -6.574
  699   HD11  ILE  95          HD11      ILE  95  13.770  -1.267  -8.632
  700   HD12  ILE  95          HD12      ILE  95  15.264  -1.904  -7.925
  701   HD13  ILE  95          HD13      ILE  95  14.188  -2.967  -8.861
  702    H    PHE  96           H        PHE  96  15.820  -6.191  -7.429
  703    HA   PHE  96           HA       PHE  96  16.109  -7.443  -4.818
  704    HB2  PHE  96           HB2      PHE  96  15.430  -9.455  -5.860
  705    HB3  PHE  96           HB3      PHE  96  16.313  -9.080  -7.350
  706    HD1  PHE  96           HD1      PHE  96  17.613  -8.689  -3.814
  707    HD2  PHE  96           HD2      PHE  96  17.862 -10.889  -7.516
  708    HE1  PHE  96           HE1      PHE  96  19.732  -9.681  -3.061
  709    HE2  PHE  96           HE2      PHE  96  19.943 -11.972  -6.704
  710    HZ   PHE  96           HZ       PHE  96  20.887 -11.372  -4.490
  711    H    GLU  97           H        GLU  97  17.696  -6.243  -4.214
  712    HA   GLU  97           HA       GLU  97  20.069  -5.877  -5.907
  713    HB2  GLU  97           HB2      GLU  97  18.249  -3.747  -5.058
  714    HB3  GLU  97           HB3      GLU  97  19.781  -3.560  -4.219
  715    HG2  GLU  97           HG2      GLU  97  19.312  -3.723  -7.210
  716    HG3  GLU  97           HG3      GLU  97  19.816  -2.311  -6.290
  717    H    ASP  98           H        ASP  98  21.776  -4.919  -4.234
  718    HA   ASP  98           HA       ASP  98  21.671  -6.658  -1.817
  719    HB2  ASP  98           HB2      ASP  98  23.151  -8.007  -2.746
  720    HB3  ASP  98           HB3      ASP  98  23.383  -6.951  -4.134
  721    H    TRP  99           H        TRP  99  23.598  -4.091  -3.373
  722    HA   TRP  99           HA       TRP  99  24.678  -2.293  -2.546
  723    HB2  TRP  99           HB2      TRP  99  22.660  -2.170  -0.287
  724    HB3  TRP  99           HB3      TRP  99  23.776  -0.922  -0.761
  725    HD1  TRP  99           HD1      TRP  99  22.573  -1.947  -3.979
  726    HE1  TRP  99           HE1      TRP  99  20.410  -0.814  -4.706
  727    HE3  TRP  99           HE3      TRP  99  21.257   0.181   0.488
  728    HZ2  TRP  99           HZ2      TRP  99  18.175   0.495  -3.416
  729    HZ3  TRP  99           HZ3      TRP  99  19.050   1.355   0.703
  730    HH2  TRP  99           HH2      TRP  99  17.496   1.399  -1.203
  731    H    GLN 100           H        GLN 100  26.009  -4.351  -2.248
  732    HA   GLN 100           HA       GLN 100  27.138  -5.268   0.030
  733    HB2  GLN 100           HB2      GLN 100  29.210  -5.464  -1.362
  734    HB3  GLN 100           HB3      GLN 100  27.730  -6.135  -2.035
  735    HG2  GLN 100           HG2      GLN 100  27.618  -3.823  -3.362
  736    HG3  GLN 100           HG3      GLN 100  29.321  -3.713  -2.932
  737   HE21  GLN 100          HE22      GLN 100  26.895  -5.970  -4.312
  738   HE22  GLN 100          HE21      GLN 100  27.952  -6.640  -5.563
  739    H    LEU 101           H        LEU 101  26.685  -2.649   0.968
  740    HA   LEU 101           HA       LEU 101  28.771  -0.844   0.337
  741    HB2  LEU 101           HB2      LEU 101  26.162  -0.779   1.627
  742    HB3  LEU 101           HB3      LEU 101  27.256  -0.005   2.724
  743    HG   LEU 101           HG       LEU 101  26.086   1.574   1.210
  744   HD11  LEU 101          HD11      LEU 101  28.007   2.898   0.470
  745   HD12  LEU 101          HD12      LEU 101  28.295   2.244   2.082
  746   HD13  LEU 101          HD13      LEU 101  29.092   1.521   0.646
  747   HD21  LEU 101          HD21      LEU 101  27.667   0.346  -1.093
  748   HD22  LEU 101          HD22      LEU 101  25.943   0.068  -0.773
  749   HD23  LEU 101          HD23      LEU 101  26.530   1.703  -1.137
  750    H    GLU 102           H        GLU 102  29.550   0.536   2.436
  751    HA   GLU 102           HA       GLU 102  31.834  -0.698   3.451
  752    HB2  GLU 102           HB2      GLU 102  30.160   1.697   4.263
  753    HB3  GLU 102           HB3      GLU 102  31.691   1.343   5.073
  754    HG2  GLU 102           HG2      GLU 102  32.924   1.584   3.014
  755    HG3  GLU 102           HG3      GLU 102  31.441   1.792   2.071
  756    H    ASP 103           H        ASP 103  32.365  -0.763   5.780
  757    HA   ASP 103           HA       ASP 103  30.325  -2.200   7.432
  758    HB2  ASP 103           HB2      ASP 103  32.017  -3.724   6.746
  759    HB3  ASP 103           HB3      ASP 103  33.307  -2.608   7.226
  760    HA   PRO 104           HA       PRO 104  31.493   1.395  10.002
  761    HB2  PRO 104           HB2      PRO 104  29.110   1.930  11.171
  762    HB3  PRO 104           HB3      PRO 104  29.400   2.322   9.454
  763    HG2  PRO 104           HG2      PRO 104  28.008  -0.118  10.605
  764    HG3  PRO 104           HG3      PRO 104  27.452   0.940   9.268
  765    HD2  PRO 104           HD2      PRO 104  28.827  -1.461   8.924
  766    HD3  PRO 104           HD3      PRO 104  28.895  -0.117   7.738
  767    H    ASP 105           H        ASP 105  30.735  -1.853  10.699
  768    HA   ASP 105           HA       ASP 105  30.294  -3.050  12.614
  769    HB2  ASP 105           HB2      ASP 105  32.615  -3.345  11.899
  770    HB3  ASP 105           HB3      ASP 105  33.121  -1.984  12.865
  771    H    GLY 106           H        GLY 106  32.506  -1.330  14.504
  772    HA2  GLY 106           HA2      GLY 106  30.561   0.307  16.008
  773    HA3  GLY 106           HA3      GLY 106  31.637  -0.805  16.891
  774    H    GLN 107           H        GLN 107  32.146   1.112  13.933
  775    HA   GLN 107           HA       GLN 107  34.876   1.783  14.563
  776    HB2  GLN 107           HB2      GLN 107  32.953   2.572  12.307
  777    HB3  GLN 107           HB3      GLN 107  34.599   3.136  12.378
  778    HG2  GLN 107           HG2      GLN 107  35.045   0.476  12.761
  779    HG3  GLN 107           HG3      GLN 107  33.648   0.443  11.664
  780   HE21  GLN 107          HE22      GLN 107  34.141   0.705   9.432
  781   HE22  GLN 107          HE21      GLN 107  35.630   1.423   8.858
  782    H    SER 108           H        SER 108  35.280   4.202  13.644
  783    HA   SER 108           HA       SER 108  34.721   6.017  15.797
  784    HB2  SER 108           HB2      SER 108  35.691   7.659  14.006
  785    HB3  SER 108           HB3      SER 108  36.741   6.395  14.681
  786    HG   SER 108           HG       SER 108  36.942   6.452  12.419
  787    H    LEU 109           H        LEU 109  33.378   7.903  15.631
  788    HA   LEU 109           HA       LEU 109  30.797   7.415  14.581
  789    HB2  LEU 109           HB2      LEU 109  32.051  10.089  15.315
  790    HB3  LEU 109           HB3      LEU 109  30.335   9.783  15.084
  791    HG   LEU 109           HG       LEU 109  32.118   8.781  17.328
  792   HD11  LEU 109          HD11      LEU 109  30.531   9.979  18.758
  793   HD12  LEU 109          HD12      LEU 109  31.185  11.059  17.520
  794   HD13  LEU 109          HD13      LEU 109  29.540  10.413  17.353
  795   HD21  LEU 109          HD21      LEU 109  30.785   6.846  16.843
  796   HD22  LEU 109          HD22      LEU 109  30.065   7.633  18.246
  797   HD23  LEU 109          HD23      LEU 109  29.315   7.808  16.643
  798    H    GLU 110           H        GLU 110  33.615   8.939  13.112
  799    HA   GLU 110           HA       GLU 110  32.281  10.269  10.976
  800    HB2  GLU 110           HB2      GLU 110  35.080   9.059  11.162
  801    HB3  GLU 110           HB3      GLU 110  34.504  10.041   9.797
  802    HG2  GLU 110           HG2      GLU 110  33.897  11.845  11.398
  803    HG3  GLU 110           HG3      GLU 110  34.629  10.900  12.705
  804    H    VAL 111           H        VAL 111  33.428   6.805  11.257
  805    HA   VAL 111           HA       VAL 111  32.606   6.409   8.532
  806    HB   VAL 111           HB       VAL 111  33.191   4.330  10.701
  807   HG11  VAL 111          HG11      VAL 111  32.841   4.166   7.656
  808   HG12  VAL 111          HG12      VAL 111  33.565   2.876   8.611
  809   HG13  VAL 111          HG13      VAL 111  31.889   3.330   8.905
  810   HG21  VAL 111          HG21      VAL 111  34.975   5.488   8.497
  811   HG22  VAL 111          HG22      VAL 111  35.181   5.725  10.244
  812   HG23  VAL 111          HG23      VAL 111  35.395   4.123   9.553
  813    H    PHE 112           H        PHE 112  31.020   5.786  11.740
  814    HA   PHE 112           HA       PHE 112  28.608   4.770  10.716
  815    HB2  PHE 112           HB2      PHE 112  29.155   6.604  13.059
  816    HB3  PHE 112           HB3      PHE 112  27.528   6.223  12.543
  817    HD1  PHE 112           HD2      PHE 112  26.602   3.947  12.624
  818    HD2  PHE 112           HD1      PHE 112  30.512   4.877  14.203
  819    HE1  PHE 112           HE2      PHE 112  26.592   1.834  13.926
  820    HE2  PHE 112           HE1      PHE 112  30.483   2.768  15.497
  821    HZ   PHE 112           HZ       PHE 112  28.533   1.230  15.346
  822    H    ARG 113           H        ARG 113  29.460   8.287  10.981
  823    HA   ARG 113           HA       ARG 113  27.124   9.281   9.702
  824    HB2  ARG 113           HB2      ARG 113  29.981  10.378   9.615
  825    HB3  ARG 113           HB3      ARG 113  28.566  11.233   9.027
  826    HG2  ARG 113           HG2      ARG 113  27.580  11.152  11.343
  827    HG3  ARG 113           HG3      ARG 113  29.071  10.418  11.931
  828    HD2  ARG 113           HD2      ARG 113  30.378  12.343  11.235
  829    HD3  ARG 113           HD3      ARG 113  28.936  13.117  10.541
  830    HE   ARG 113           HE       ARG 113  28.048  12.763  13.020
  831   HH11  ARG 113          HH11      ARG 113  31.176  14.130  11.937
  832   HH12  ARG 113          HH12      ARG 113  31.416  15.048  13.379
  833   HH21  ARG 113          HH21      ARG 113  28.372  13.940  14.876
  834   HH22  ARG 113          HH22      ARG 113  29.771  14.967  15.107
  835    H    THR 114           H        THR 114  30.236   8.214   8.277
  836    HA   THR 114           HA       THR 114  29.568   9.142   5.686
  837    HB   THR 114           HB       THR 114  31.549   6.986   6.549
  838    HG1  THR 114           HG1      THR 114  32.042   8.935   7.500
  839   HG21  THR 114          HG21      THR 114  32.755   7.563   4.444
  840   HG22  THR 114          HG22      THR 114  31.177   6.830   4.134
  841   HG23  THR 114          HG23      THR 114  31.378   8.585   3.955
  842    H    VAL 115           H        VAL 115  29.186   5.907   7.259
  843    HA   VAL 115           HA       VAL 115  28.476   4.657   4.751
  844    HB   VAL 115           HB       VAL 115  27.949   3.611   7.574
  845   HG11  VAL 115          HG11      VAL 115  26.512   2.469   5.937
  846   HG12  VAL 115          HG12      VAL 115  27.897   2.221   4.847
  847   HG13  VAL 115          HG13      VAL 115  27.815   1.387   6.412
  848   HG21  VAL 115          HG21      VAL 115  30.294   3.375   5.669
  849   HG22  VAL 115          HG22      VAL 115  30.305   3.791   7.361
  850   HG23  VAL 115          HG23      VAL 115  29.983   2.126   6.911
  851    H    ARG 116           H        ARG 116  26.610   5.781   7.561
  852    HA   ARG 116           HA       ARG 116  23.976   5.590   6.739
  853    HB2  ARG 116           HB2      ARG 116  24.733   6.456   8.856
  854    HB3  ARG 116           HB3      ARG 116  25.592   7.775   8.078
  855    HG2  ARG 116           HG2      ARG 116  23.320   8.736   7.392
  856    HG3  ARG 116           HG3      ARG 116  22.618   7.507   8.468
  857    HD2  ARG 116           HD2      ARG 116  22.931   9.157  10.020
  858    HD3  ARG 116           HD3      ARG 116  24.565   8.404  10.095
  859    HE   ARG 116           HE       ARG 116  24.545  10.438   8.096
  860   HH11  ARG 116          HH11      ARG 116  24.299  10.262  11.654
  861   HH12  ARG 116          HH12      ARG 116  25.355  11.614  11.930
  862   HH21  ARG 116          HH21      ARG 116  25.660  12.430   8.475
  863   HH22  ARG 116          HH22      ARG 116  25.909  12.983  10.091
  864    H    GLY 117           H        GLY 117  26.216   8.350   5.778
  865    HA2  GLY 117           HA2      GLY 117  24.229   9.538   4.143
  866    HA3  GLY 117           HA3      GLY 117  25.986   9.802   3.995
  867    H    GLN 118           H        GLN 118  26.832   7.172   3.194
  868    HA   GLN 118           HA       GLN 118  26.038   7.306   0.458
  869    HB2  GLN 118           HB2      GLN 118  27.558   5.111   1.921
  870    HB3  GLN 118           HB3      GLN 118  27.395   5.274   0.161
  871    HG2  GLN 118           HG2      GLN 118  28.232   7.789   0.689
  872    HG3  GLN 118           HG3      GLN 118  28.951   6.998   2.086
  873   HE21  GLN 118          HE22      GLN 118  30.604   5.217   1.673
  874   HE22  GLN 118          HE21      GLN 118  31.434   5.230   0.129
  875    H    VAL 119           H        VAL 119  24.943   5.300   3.144
  876    HA   VAL 119           HA       VAL 119  23.181   3.603   1.623
  877    HB   VAL 119           HB       VAL 119  23.145   4.579   4.518
  878   HG11  VAL 119          HG11      VAL 119  21.535   2.795   4.999
  879   HG12  VAL 119          HG12      VAL 119  20.834   4.064   3.990
  880   HG13  VAL 119          HG13      VAL 119  21.316   2.522   3.244
  881   HG21  VAL 119          HG21      VAL 119  23.908   2.305   5.017
  882   HG22  VAL 119          HG22      VAL 119  23.696   1.805   3.322
  883   HG23  VAL 119          HG23      VAL 119  24.982   2.940   3.758
  884    H    LYS 120           H        LYS 120  22.786   6.934   3.037
  885    HA   LYS 120           HA       LYS 120  20.024   7.100   2.646
  886    HB2  LYS 120           HB2      LYS 120  20.185   9.101   3.531
  887    HB3  LYS 120           HB3      LYS 120  21.851   8.690   3.791
  888    HG2  LYS 120           HG2      LYS 120  21.983  10.816   3.001
  889    HG3  LYS 120           HG3      LYS 120  22.401   9.870   1.600
  890    HD2  LYS 120           HD2      LYS 120  20.973  11.855   1.142
  891    HD3  LYS 120           HD3      LYS 120  20.278  10.367   0.524
  892    HE2  LYS 120           HE2      LYS 120  18.635  10.253   2.242
  893    HE3  LYS 120           HE3      LYS 120  19.483  11.465   3.239
  894    HZ1  LYS 120           HZ1      LYS 120  18.059  12.003   0.675
  895    HZ2  LYS 120           HZ2      LYS 120  17.629  12.527   2.164
  896    HZ3  LYS 120           HZ3      LYS 120  18.978  13.113   1.464
  897    H    GLU 121           H        GLU 121  22.644   7.950   0.368
  898    HA   GLU 121           HA       GLU 121  20.874   8.844  -1.685
  899    HB2  GLU 121           HB2      GLU 121  23.701   7.668  -1.758
  900    HB3  GLU 121           HB3      GLU 121  22.890   8.274  -3.197
  901    HG2  GLU 121           HG2      GLU 121  23.492   9.954  -0.733
  902    HG3  GLU 121           HG3      GLU 121  24.468   9.898  -2.198
  903    H    ARG 122           H        ARG 122  22.260   5.557  -0.989
  904    HA   ARG 122           HA       ARG 122  21.112   4.379  -3.362
  905    HB2  ARG 122           HB2      ARG 122  22.019   3.092  -0.767
  906    HB3  ARG 122           HB3      ARG 122  21.442   2.254  -2.215
  907    HG2  ARG 122           HG2      ARG 122  23.251   3.762  -3.476
  908    HG3  ARG 122           HG3      ARG 122  23.993   3.839  -1.869
  909    HD2  ARG 122           HD2      ARG 122  24.100   1.395  -1.785
  910    HD3  ARG 122           HD3      ARG 122  23.163   1.303  -3.296
  911    HE   ARG 122           HE       ARG 122  25.823   2.665  -3.211
  912   HH11  ARG 122          HH21      ARG 122  23.750   0.194  -4.713
  913   HH12  ARG 122          HH22      ARG 122  24.921  -0.260  -5.900
  914   HH21  ARG 122          HH11      ARG 122  27.373   2.065  -4.785
  915   HH22  ARG 122          HH12      ARG 122  27.011   0.846  -5.949
  916    H    VAL 123           H        VAL 123  19.872   4.628   0.034
  917    HA   VAL 123           HA       VAL 123  17.431   3.320  -0.384
  918    HB   VAL 123           HB       VAL 123  18.273   5.645   1.416
  919   HG11  VAL 123          HG11      VAL 123  16.301   4.966   2.780
  920   HG12  VAL 123          HG12      VAL 123  15.920   5.812   1.284
  921   HG13  VAL 123          HG13      VAL 123  15.720   4.045   1.376
  922   HG21  VAL 123          HG21      VAL 123  19.365   3.351   1.801
  923   HG22  VAL 123          HG22      VAL 123  18.420   3.963   3.156
  924   HG23  VAL 123          HG23      VAL 123  17.734   2.710   2.113
  925    H    GLU 124           H        GLU 124  18.226   6.809  -0.772
  926    HA   GLU 124           HA       GLU 124  15.620   7.472  -1.587
  927    HB2  GLU 124           HB2      GLU 124  17.203   8.935  -0.618
  928    HB3  GLU 124           HB3      GLU 124  18.265   8.858  -2.059
  929    HG2  GLU 124           HG2      GLU 124  16.459   9.824  -3.413
  930    HG3  GLU 124           HG3      GLU 124  15.399   9.865  -1.971
  931    H    ASN 125           H        ASN 125  18.402   6.372  -3.498
  932    HA   ASN 125           HA       ASN 125  17.271   6.801  -6.071
  933    HB2  ASN 125           HB2      ASN 125  19.404   4.983  -4.975
  934    HB3  ASN 125           HB3      ASN 125  18.739   4.625  -6.558
  935   HD21  ASN 125          HD22      ASN 125  20.387   7.207  -4.702
  936   HD22  ASN 125          HD21      ASN 125  21.058   8.012  -6.115
  937    H    LEU 126           H        LEU 126  17.124   3.965  -3.877
  938    HA   LEU 126           HA       LEU 126  15.462   2.334  -5.551
  939    HB2  LEU 126           HB2      LEU 126  16.224   1.064  -3.971
  940    HB3  LEU 126           HB3      LEU 126  16.398   2.370  -2.787
  941    HG   LEU 126           HG       LEU 126  13.628   1.348  -3.176
  942   HD11  LEU 126          HD11      LEU 126  14.104  -0.633  -1.737
  943   HD12  LEU 126          HD12      LEU 126  14.821  -0.709  -3.361
  944   HD13  LEU 126          HD13      LEU 126  15.834  -0.281  -1.956
  945   HD21  LEU 126          HD21      LEU 126  14.254   3.018  -1.405
  946   HD22  LEU 126          HD22      LEU 126  13.507   1.543  -0.773
  947   HD23  LEU 126          HD23      LEU 126  15.268   1.780  -0.651
  948    H    ILE 127           H        ILE 127  14.665   4.740  -3.112
  949    HA   ILE 127           HA       ILE 127  11.798   4.537  -3.297
  950    HB   ILE 127           HB       ILE 127  13.870   6.471  -2.330
  951   HG12  ILE 127          HG12      ILE 127  11.443   5.636  -0.755
  952   HG13  ILE 127          HG13      ILE 127  12.489   4.312  -1.259
  953   HG21  ILE 127          HG21      ILE 127  10.978   7.305  -2.497
  954   HG22  ILE 127          HG22      ILE 127  12.216   8.055  -1.464
  955   HG23  ILE 127          HG23      ILE 127  12.391   8.105  -3.222
  956   HD11  ILE 127          HD11      ILE 127  12.914   5.608   0.995
  957   HD12  ILE 127          HD12      ILE 127  14.224   4.951  -0.019
  958   HD13  ILE 127          HD13      ILE 127  13.892   6.690  -0.067
  959    H    ALA 128           H        ALA 128  14.186   6.552  -5.144
  960    HA   ALA 128           HA       ALA 128  12.266   7.961  -6.625
  961    HB1  ALA 128           HB1      ALA 128  14.689   8.536  -6.534
  962    HB2  ALA 128           HB2      ALA 128  15.041   7.131  -7.571
  963    HB3  ALA 128           HB3      ALA 128  14.067   8.471  -8.192
  964    H    LYS 129           H        LYS 129  13.419   4.619  -7.083
  965    HA   LYS 129           HA       LYS 129  12.236   4.340  -9.684
  966    HB2  LYS 129           HB2      LYS 129  13.024   2.227  -7.639
  967    HB3  LYS 129           HB3      LYS 129  12.601   1.915  -9.320
  968    HG2  LYS 129           HG2      LYS 129  14.549   3.124 -10.108
  969    HG3  LYS 129           HG3      LYS 129  14.936   3.646  -8.452
  970    HD2  LYS 129           HD2      LYS 129  15.087   1.313  -7.725
  971    HD3  LYS 129           HD3      LYS 129  14.897   0.757  -9.398
  972    HE2  LYS 129           HE2      LYS 129  17.052   2.657  -8.398
  973    HE3  LYS 129           HE3      LYS 129  17.274   0.902  -8.514
  974    HZ1  LYS 129           HZ1      LYS 129  18.186   1.975 -10.471
  975    HZ2  LYS 129           HZ2      LYS 129  16.907   1.080 -10.930
  976    HZ3  LYS 129           HZ3      LYS 129  16.776   2.714 -10.826
  977    H    ILE 130           H        ILE 130  11.141   3.595  -6.336
  978    HA   ILE 130           HA       ILE 130   8.707   2.436  -7.429
  979    HB   ILE 130           HB       ILE 130   8.434   1.630  -5.098
  980   HG12  ILE 130          HG12      ILE 130  11.004   2.943  -4.528
  981   HG13  ILE 130          HG13      ILE 130   9.505   2.953  -3.639
  982   HG21  ILE 130          HG21      ILE 130   9.448   0.401  -7.105
  983   HG22  ILE 130          HG22      ILE 130  11.038   0.695  -6.349
  984   HG23  ILE 130          HG23      ILE 130   9.771  -0.257  -5.524
  985   HD11  ILE 130          HD11      ILE 130  11.474   0.632  -3.868
  986   HD12  ILE 130          HD12      ILE 130  11.088   1.587  -2.429
  987   HD13  ILE 130          HD13      ILE 130   9.872   0.490  -3.126
  988    H    SER 131           H        SER 131   9.479   5.210  -5.352
  989    HA   SER 131           HA       SER 131   6.744   5.423  -4.492
  990    HB2  SER 131           HB2      SER 131   9.183   7.141  -3.953
  991    HB3  SER 131           HB3      SER 131   7.658   7.176  -3.056
  992    HG   SER 131           HG       SER 131   9.153   5.818  -1.952
  Start of MODEL    4
    1    H    MET   1           H        MET   1   1.489  -1.988   2.301
    2    HA   MET   1           HA       MET   1   1.166  -0.618  -0.290
    3    HB2  MET   1           HB2      MET   1   1.369   0.688   2.039
    4    HB3  MET   1           HB3      MET   1   3.079   0.326   1.876
    5    HG2  MET   1           HG2      MET   1   2.490   2.543   1.010
    6    HG3  MET   1           HG3      MET   1   3.106   1.528  -0.286
    7    HE1  MET   1           HE1      MET   1   1.557   4.317  -0.720
    8    HE2  MET   1           HE2      MET   1   2.208   3.335  -2.055
    9    HE3  MET   1           HE3      MET   1   0.524   3.899  -2.103
   10    H    LYS   2           H        LYS   2   3.617  -0.226  -1.295
   11    HA   LYS   2           HA       LYS   2   4.483  -2.862  -1.915
   12    HB2  LYS   2           HB2      LYS   2   6.238  -0.386  -2.313
   13    HB3  LYS   2           HB3      LYS   2   6.320  -1.918  -3.146
   14    HG2  LYS   2           HG2      LYS   2   5.222  -0.735  -4.743
   15    HG3  LYS   2           HG3      LYS   2   3.852  -1.382  -3.857
   16    HD2  LYS   2           HD2      LYS   2   3.192   0.861  -3.979
   17    HD3  LYS   2           HD3      LYS   2   4.084   0.920  -2.472
   18    HE2  LYS   2           HE2      LYS   2   5.033   2.739  -3.400
   19    HE3  LYS   2           HE3      LYS   2   6.157   1.530  -4.045
   20    HZ1  LYS   2           HZ1      LYS   2   4.808   1.504  -6.119
   21    HZ2  LYS   2           HZ2      LYS   2   3.794   2.635  -5.504
   22    HZ3  LYS   2           HZ3      LYS   2   5.352   3.018  -5.797
   23    H    LYS   3           H        LYS   3   5.828  -4.261  -0.787
   24    HA   LYS   3           HA       LYS   3   6.886  -3.153   1.760
   25    HB2  LYS   3           HB2      LYS   3   6.696  -6.056   1.040
   26    HB3  LYS   3           HB3      LYS   3   6.860  -5.312   2.633
   27    HG2  LYS   3           HG2      LYS   3   4.557  -4.387   2.393
   28    HG3  LYS   3           HG3      LYS   3   4.431  -5.165   0.802
   29    HD2  LYS   3           HD2      LYS   3   3.238  -6.353   2.640
   30    HD3  LYS   3           HD3      LYS   3   4.367  -7.328   1.702
   31    HE2  LYS   3           HE2      LYS   3   6.033  -7.256   3.462
   32    HE3  LYS   3           HE3      LYS   3   5.056  -6.114   4.413
   33    HZ1  LYS   3           HZ1      LYS   3   3.364  -7.904   4.588
   34    HZ2  LYS   3           HZ2      LYS   3   4.350  -8.942   3.779
   35    HZ3  LYS   3           HZ3      LYS   3   4.791  -8.364   5.247
   36    H    VAL   4           H        VAL   4   8.957  -2.971   2.198
   37    HA   VAL   4           HA       VAL   4  10.869  -3.988   0.181
   38    HB   VAL   4           HB       VAL   4  11.306  -1.626   2.006
   39   HG11  VAL   4          HG11      VAL   4  13.072  -1.094   0.256
   40   HG12  VAL   4          HG12      VAL   4  13.407  -2.507   1.232
   41   HG13  VAL   4          HG13      VAL   4  12.809  -2.740  -0.389
   42   HG21  VAL   4          HG21      VAL   4  10.954  -0.209  -0.109
   43   HG22  VAL   4          HG22      VAL   4  10.189  -1.640  -0.833
   44   HG23  VAL   4          HG23      VAL   4   9.489  -0.901   0.606
   45    H    MET   5           H        MET   5  12.986  -4.695   1.060
   46    HA   MET   5           HA       MET   5  12.936  -5.444   3.935
   47    HB2  MET   5           HB2      MET   5  12.113  -7.329   2.485
   48    HB3  MET   5           HB3      MET   5  13.637  -7.235   1.583
   49    HG2  MET   5           HG2      MET   5  13.664  -9.050   3.279
   50    HG3  MET   5           HG3      MET   5  14.921  -7.845   3.549
   51    HE1  MET   5           HE1      MET   5  11.121  -8.461   6.118
   52    HE2  MET   5           HE2      MET   5  11.018  -7.795   4.473
   53    HE3  MET   5           HE3      MET   5  11.611  -9.450   4.724
   54    H    PHE   6           H        PHE   6  14.900  -5.064   4.838
   55    HA   PHE   6           HA       PHE   6  17.179  -4.460   3.042
   56    HB2  PHE   6           HB2      PHE   6  16.465  -3.299   5.726
   57    HB3  PHE   6           HB3      PHE   6  18.011  -3.055   4.895
   58    HD1  PHE   6           HD1      PHE   6  14.364  -2.436   4.739
   59    HD2  PHE   6           HD2      PHE   6  18.155  -1.654   2.861
   60    HE1  PHE   6           HE1      PHE   6  13.269  -0.919   3.178
   61    HE2  PHE   6           HE2      PHE   6  17.068   0.025   1.397
   62    HZ   PHE   6           HZ       PHE   6  14.624   0.432   1.562
   63    H    VAL   7           H        VAL   7  18.480  -6.264   3.080
   64    HA   VAL   7           HA       VAL   7  18.267  -8.145   5.358
   65    HB   VAL   7           HB       VAL   7  19.876  -8.596   2.828
   66   HG11  VAL   7          HG11      VAL   7  20.172 -10.195   4.661
   67   HG12  VAL   7          HG12      VAL   7  18.429 -10.553   4.634
   68   HG13  VAL   7          HG13      VAL   7  19.445 -10.923   3.226
   69   HG21  VAL   7          HG21      VAL   7  17.578  -7.950   2.030
   70   HG22  VAL   7          HG22      VAL   7  17.875  -9.677   1.820
   71   HG23  VAL   7          HG23      VAL   7  16.888  -9.107   3.177
   72    H    CYS   8           H        CYS   8  19.756  -8.106   6.997
   73    HA   CYS   8           HA       CYS   8  22.068  -6.332   6.645
   74    HB2  CYS   8           HB2      CYS   8  21.097  -7.693   9.184
   75    HB3  CYS   8           HB3      CYS   8  22.149  -6.282   9.048
   76    HG   CYS   8           HG       CYS   8  18.951  -6.678   8.362
   77    H    LYS   9           H        LYS   9  24.183  -6.914   7.591
   78    HA   LYS   9           HA       LYS   9  24.856  -9.612   8.295
   79    HB2  LYS   9           HB2      LYS   9  24.928  -9.792   5.783
   80    HB3  LYS   9           HB3      LYS   9  26.062  -8.443   5.717
   81    HG2  LYS   9           HG2      LYS   9  27.731  -9.801   6.986
   82    HG3  LYS   9           HG3      LYS   9  26.562 -11.130   7.089
   83    HD2  LYS   9           HD2      LYS   9  26.581 -11.332   4.617
   84    HD3  LYS   9           HD3      LYS   9  27.721  -9.962   4.519
   85    HE2  LYS   9           HE2      LYS   9  29.367 -11.242   5.887
   86    HE3  LYS   9           HE3      LYS   9  28.250 -12.609   5.955
   87    HZ1  LYS   9           HZ1      LYS   9  28.453 -12.836   3.546
   88    HZ2  LYS   9           HZ2      LYS   9  29.449 -11.529   3.450
   89    HZ3  LYS   9           HZ3      LYS   9  29.937 -12.877   4.228
   90    H    ARG  10           H        ARG  10  26.966  -9.496   9.413
   91    HA   ARG  10           HA       ARG  10  28.391  -8.529  10.838
   92    HB2  ARG  10           HB2      ARG  10  28.998  -7.270   8.383
   93    HB3  ARG  10           HB3      ARG  10  28.837  -5.910   9.461
   94    HG2  ARG  10           HG2      ARG  10  30.682  -8.309   9.773
   95    HG3  ARG  10           HG3      ARG  10  31.126  -6.746   9.101
   96    HD2  ARG  10           HD2      ARG  10  31.335  -5.712  11.205
   97    HD3  ARG  10           HD3      ARG  10  30.143  -6.771  11.942
   98    HE   ARG  10           HE       ARG  10  31.689  -8.301  12.472
   99   HH11  ARG  10          HH21      ARG  10  33.259  -6.031  10.168
  100   HH12  ARG  10          HH22      ARG  10  34.843  -6.651  10.488
  101   HH21  ARG  10          HH11      ARG  10  33.797  -9.102  12.828
  102   HH22  ARG  10          HH12      ARG  10  35.150  -8.429  12.008
  103    H    ASN  11           H        ASN  11  28.668  -5.784  11.748
  104    HA   ASN  11           HA       ASN  11  26.390  -5.753  13.476
  105    HB2  ASN  11           HB2      ASN  11  28.615  -4.740  14.077
  106    HB3  ASN  11           HB3      ASN  11  28.260  -3.406  12.962
  107   HD21  ASN  11          HD22      ASN  11  28.637  -2.456  15.324
  108   HD22  ASN  11          HD21      ASN  11  27.167  -2.141  16.231
  109    H    SER  12           H        SER  12  24.456  -5.428  12.738
  110    HA   SER  12           HA       SER  12  23.812  -4.663  10.176
  111    HB2  SER  12           HB2      SER  12  21.977  -4.712  12.593
  112    HB3  SER  12           HB3      SER  12  21.567  -5.086  10.908
  113    HG   SER  12           HG       SER  12  23.383  -6.782  11.222
  114    H    CYS  13           H        CYS  13  24.768  -2.316  12.325
  115    HA   CYS  13           HA       CYS  13  22.962  -0.268  12.270
  116    HB2  CYS  13           HB2      CYS  13  25.947   0.000  11.660
  117    HB3  CYS  13           HB3      CYS  13  24.888   1.234  12.370
  118    HG   CYS  13           HG       CYS  13  24.129  -0.382  14.410
  119    H    ARG  14           H        ARG  14  25.082  -1.177   9.506
  120    HA   ARG  14           HA       ARG  14  24.322   1.104   7.901
  121    HB2  ARG  14           HB2      ARG  14  25.429  -0.066   6.028
  122    HB3  ARG  14           HB3      ARG  14  26.397  -0.100   7.493
  123    HG2  ARG  14           HG2      ARG  14  25.619  -2.463   7.922
  124    HG3  ARG  14           HG3      ARG  14  24.758  -2.427   6.374
  125    HD2  ARG  14           HD2      ARG  14  26.842  -2.179   5.156
  126    HD3  ARG  14           HD3      ARG  14  27.740  -1.993   6.685
  127    HE   ARG  14           HE       ARG  14  26.449  -4.415   6.963
  128   HH11  ARG  14          HH11      ARG  14  28.838  -3.151   4.575
  129   HH12  ARG  14          HH12      ARG  14  29.663  -4.656   4.471
  130   HH21  ARG  14          HH21      ARG  14  27.494  -6.374   6.692
  131   HH22  ARG  14          HH22      ARG  14  28.863  -6.547   5.625
  132    H    SER  15           H        SER  15  22.904  -2.146   8.170
  133    HA   SER  15           HA       SER  15  21.179  -1.725   5.814
  134    HB2  SER  15           HB2      SER  15  20.721  -4.237   6.603
  135    HB3  SER  15           HB3      SER  15  22.181  -3.772   5.740
  136    HG   SER  15           HG       SER  15  23.332  -4.415   7.405
  137    H    GLN  16           H        GLN  16  20.873  -2.350   9.334
  138    HA   GLN  16           HA       GLN  16  18.026  -2.062   9.348
  139    HB2  GLN  16           HB2      GLN  16  18.216  -2.391  11.573
  140    HB3  GLN  16           HB3      GLN  16  19.771  -3.019  11.083
  141    HG2  GLN  16           HG2      GLN  16  20.899  -0.915  11.690
  142    HG3  GLN  16           HG3      GLN  16  19.360  -0.175  12.103
  143   HE21  GLN  16          HE22      GLN  16  18.121  -1.060  13.886
  144   HE22  GLN  16          HE21      GLN  16  18.997  -1.675  15.270
  145    H    MET  17           H        MET  17  20.727   0.340   9.524
  146    HA   MET  17           HA       MET  17  19.098   2.641   9.899
  147    HB2  MET  17           HB2      MET  17  21.539   2.809  10.069
  148    HB3  MET  17           HB3      MET  17  21.656   2.272   8.343
  149    HG2  MET  17           HG2      MET  17  22.078   4.579   8.430
  150    HG3  MET  17           HG3      MET  17  20.555   4.351   7.613
  151    HE1  MET  17           HE1      MET  17  18.140   5.749   8.727
  152    HE2  MET  17           HE2      MET  17  18.193   4.403   9.909
  153    HE3  MET  17           HE3      MET  17  18.161   6.094  10.465
  154    H    ALA  18           H        ALA  18  20.058   0.831   6.949
  155    HA   ALA  18           HA       ALA  18  18.927   2.666   5.163
  156    HB1  ALA  18           HB1      ALA  18  19.000  -0.360   4.792
  157    HB2  ALA  18           HB2      ALA  18  19.123   0.894   3.541
  158    HB3  ALA  18           HB3      ALA  18  20.445   0.673   4.727
  159    H    GLU  19           H        GLU  19  17.359  -0.062   6.917
  160    HA   GLU  19           HA       GLU  19  14.745   0.478   5.898
  161    HB2  GLU  19           HB2      GLU  19  15.445  -1.573   7.177
  162    HB3  GLU  19           HB3      GLU  19  15.451  -0.593   8.640
  163    HG2  GLU  19           HG2      GLU  19  12.931  -0.051   7.525
  164    HG3  GLU  19           HG3      GLU  19  13.199  -1.721   7.101
  165    H    GLY  20           H        GLY  20  16.598   2.043   8.648
  166    HA2  GLY  20           HA2      GLY  20  14.305   3.322   9.773
  167    HA3  GLY  20           HA3      GLY  20  15.997   3.770  10.007
  168    H    PHE  21           H        PHE  21  16.808   4.429   7.419
  169    HA   PHE  21           HA       PHE  21  15.608   7.033   6.938
  170    HB2  PHE  21           HB2      PHE  21  17.568   5.282   5.433
  171    HB3  PHE  21           HB3      PHE  21  16.882   6.720   4.682
  172    HD1  PHE  21           HD1      PHE  21  16.914   8.909   6.368
  173    HD2  PHE  21           HD2      PHE  21  19.774   5.681   6.165
  174    HE1  PHE  21           HE1      PHE  21  18.657  10.380   7.315
  175    HE2  PHE  21           HE2      PHE  21  21.483   7.134   7.076
  176    HZ   PHE  21           HZ       PHE  21  20.947   9.513   7.704
  177    H    ALA  22           H        ALA  22  15.175   3.734   5.458
  178    HA   ALA  22           HA       ALA  22  13.542   4.769   3.358
  179    HB1  ALA  22           HB1      ALA  22  13.816   1.981   4.508
  180    HB2  ALA  22           HB2      ALA  22  12.930   2.376   3.012
  181    HB3  ALA  22           HB3      ALA  22  14.688   2.644   3.127
  182    H    LYS  23           H        LYS  23  12.586   3.470   6.627
  183    HA   LYS  23           HA       LYS  23   9.812   3.876   6.032
  184    HB2  LYS  23           HB2      LYS  23   9.328   3.322   8.244
  185    HB3  LYS  23           HB3      LYS  23  10.691   2.312   7.771
  186    HG2  LYS  23           HG2      LYS  23  12.229   3.694   9.071
  187    HG3  LYS  23           HG3      LYS  23  10.943   4.845   9.466
  188    HD2  LYS  23           HD2      LYS  23   9.693   3.026  10.626
  189    HD3  LYS  23           HD3      LYS  23  11.042   1.915  10.303
  190    HE2  LYS  23           HE2      LYS  23  12.561   3.338  11.655
  191    HE3  LYS  23           HE3      LYS  23  11.271   4.527  11.882
  192    HZ1  LYS  23           HZ1      LYS  23  10.020   2.865  13.131
  193    HZ2  LYS  23           HZ2      LYS  23  11.192   1.736  12.909
  194    HZ3  LYS  23           HZ3      LYS  23  11.485   3.068  13.820
  195    H    THR  24           H        THR  24  12.300   6.042   7.127
  196    HA   THR  24           HA       THR  24  10.608   8.216   7.950
  197    HB   THR  24           HB       THR  24  13.489   7.664   7.265
  198    HG1  THR  24           HG1      THR  24  13.002   7.115   9.267
  199   HG21  THR  24          HG21      THR  24  12.537  10.461   7.831
  200   HG22  THR  24          HG22      THR  24  14.225   9.869   7.854
  201   HG23  THR  24          HG23      THR  24  13.313   9.841   6.340
  202    H    LEU  25           H        LEU  25  12.439   7.513   4.965
  203    HA   LEU  25           HA       LEU  25  11.535   9.908   3.659
  204    HB2  LEU  25           HB2      LEU  25  13.325   7.605   2.927
  205    HB3  LEU  25           HB3      LEU  25  12.977   8.911   1.781
  206    HG   LEU  25           HG       LEU  25  14.297   9.248   4.487
  207   HD11  LEU  25          HD11      LEU  25  15.471   9.252   1.673
  208   HD12  LEU  25          HD12      LEU  25  16.373   9.625   3.165
  209   HD13  LEU  25          HD13      LEU  25  15.751   8.000   2.908
  210   HD21  LEU  25          HD21      LEU  25  13.172  11.326   3.808
  211   HD22  LEU  25          HD22      LEU  25  14.907  11.516   3.613
  212   HD23  LEU  25          HD23      LEU  25  13.896  11.221   2.184
  213    H    GLY  26           H        GLY  26  10.718   6.484   3.530
  214    HA2  GLY  26           HA2      GLY  26   9.124   6.690   1.044
  215    HA3  GLY  26           HA3      GLY  26   9.649   5.238   1.922
  216    H    ALA  27           H        ALA  27   8.425   7.697   3.967
  217    HA   ALA  27           HA       ALA  27   6.466   6.032   5.104
  218    HB1  ALA  27           HB1      ALA  27   7.659   7.902   6.281
  219    HB2  ALA  27           HB2      ALA  27   6.776   9.071   5.289
  220    HB3  ALA  27           HB3      ALA  27   5.899   8.036   6.437
  221    H    GLY  28           H        GLY  28   4.472   5.533   4.438
  222    HA2  GLY  28           HA2      GLY  28   2.338   5.813   3.598
  223    HA3  GLY  28           HA3      GLY  28   2.705   7.516   3.256
  224    H    LYS  29           H        LYS  29   5.078   5.502   1.865
  225    HA   LYS  29           HA       LYS  29   3.742   5.513  -0.768
  226    HB2  LYS  29           HB2      LYS  29   6.607   6.056   0.013
  227    HB3  LYS  29           HB3      LYS  29   6.032   5.893  -1.649
  228    HG2  LYS  29           HG2      LYS  29   4.996   7.961   0.327
  229    HG3  LYS  29           HG3      LYS  29   6.316   8.263  -0.799
  230    HD2  LYS  29           HD2      LYS  29   4.749   7.741  -2.705
  231    HD3  LYS  29           HD3      LYS  29   3.422   7.598  -1.531
  232    HE2  LYS  29           HE2      LYS  29   3.798   9.926  -0.792
  233    HE3  LYS  29           HE3      LYS  29   5.150  10.085  -1.920
  234    HZ1  LYS  29           HZ1      LYS  29   2.318   9.637  -2.703
  235    HZ2  LYS  29           HZ2      LYS  29   3.145  11.039  -2.845
  236    HZ3  LYS  29           HZ3      LYS  29   3.576   9.758  -3.751
  237    H    ILE  30           H        ILE  30   5.868   3.907   1.575
  238    HA   ILE  30           HA       ILE  30   5.422   1.301   0.252
  239    HB   ILE  30           HB       ILE  30   7.818   0.760   0.605
  240   HG12  ILE  30          HG12      ILE  30   8.446   3.706   0.839
  241   HG13  ILE  30          HG13      ILE  30   8.143   2.768   2.296
  242   HG21  ILE  30          HG21      ILE  30   8.591   1.754  -1.400
  243   HG22  ILE  30          HG22      ILE  30   6.833   1.565  -1.581
  244   HG23  ILE  30          HG23      ILE  30   7.524   3.165  -1.251
  245   HD11  ILE  30          HD11      ILE  30  10.500   2.857   1.937
  246   HD12  ILE  30          HD12      ILE  30   9.954   1.191   1.690
  247   HD13  ILE  30          HD13      ILE  30  10.352   2.238   0.280
  248    H    ALA  31           H        ALA  31   6.410  -0.389   1.735
  249    HA   ALA  31           HA       ALA  31   6.042   0.206   4.643
  250    HB1  ALA  31           HB1      ALA  31   5.318  -2.182   4.870
  251    HB2  ALA  31           HB2      ALA  31   4.169  -1.249   3.887
  252    HB3  ALA  31           HB3      ALA  31   5.336  -2.346   3.105
  253    H    VAL  32           H        VAL  32   7.798  -0.651   5.843
  254    HA   VAL  32           HA       VAL  32  10.066  -1.642   4.242
  255    HB   VAL  32           HB       VAL  32  10.295   0.350   6.485
  256   HG11  VAL  32          HG11      VAL  32  11.792   0.393   3.896
  257   HG12  VAL  32          HG12      VAL  32  12.225   1.044   5.501
  258   HG13  VAL  32          HG13      VAL  32  12.276  -0.701   5.230
  259   HG21  VAL  32          HG21      VAL  32  10.227   2.225   4.674
  260   HG22  VAL  32          HG22      VAL  32   9.285   1.089   3.738
  261   HG23  VAL  32          HG23      VAL  32   8.694   1.631   5.318
  262    H    THR  33           H        THR  33  11.478  -3.150   5.250
  263    HA   THR  33           HA       THR  33  11.144  -3.809   8.111
  264    HB   THR  33           HB       THR  33  11.173  -6.243   6.595
  265    HG1  THR  33           HG1      THR  33  10.045  -5.068   4.939
  266   HG21  THR  33          HG21      THR  33   8.992  -5.051   8.337
  267   HG22  THR  33          HG22      THR  33   9.134  -6.754   7.841
  268   HG23  THR  33          HG23      THR  33  10.359  -6.035   8.901
  269    H    SER  34           H        SER  34  12.899  -5.318   8.881
  270    HA   SER  34           HA       SER  34  15.271  -5.475   7.107
  271    HB2  SER  34           HB2      SER  34  16.661  -4.905   9.107
  272    HB3  SER  34           HB3      SER  34  15.782  -3.584   8.328
  273    HG   SER  34           HG       SER  34  14.286  -3.563   9.946
  274    H    CYS  35           H        CYS  35  16.764  -7.236   7.738
  275    HA   CYS  35           HA       CYS  35  15.795  -9.186   9.723
  276    HB2  CYS  35           HB2      CYS  35  15.727 -11.024   8.045
  277    HB3  CYS  35           HB3      CYS  35  14.485  -9.790   7.770
  278    HG   CYS  35           HG       CYS  35  15.561  -8.544   5.878
  279    H    GLY  36           H        GLY  36  17.367 -11.096   9.858
  280    HA2  GLY  36           HA2      GLY  36  19.486 -11.993   9.962
  281    HA3  GLY  36           HA3      GLY  36  19.891 -11.033   8.536
  282    H    LEU  37           H        LEU  37  18.940  -9.894  11.775
  283    HA   LEU  37           HA       LEU  37  20.784  -7.753  11.724
  284    HB2  LEU  37           HB2      LEU  37  18.456  -7.889  12.786
  285    HB3  LEU  37           HB3      LEU  37  19.227  -8.729  14.121
  286    HG   LEU  37           HG       LEU  37  20.833  -6.546  14.059
  287   HD11  LEU  37          HD11      LEU  37  19.582  -4.539  13.478
  288   HD12  LEU  37          HD12      LEU  37  19.577  -5.616  12.064
  289   HD13  LEU  37          HD13      LEU  37  18.133  -5.486  13.082
  290   HD21  LEU  37          HD21      LEU  37  19.421  -5.512  15.787
  291   HD22  LEU  37          HD22      LEU  37  18.052  -6.549  15.343
  292   HD23  LEU  37          HD23      LEU  37  19.530  -7.261  16.017
  293    H    GLU  38           H        GLU  38  22.777  -9.416  11.460
  294    HA   GLU  38           HA       GLU  38  24.486 -10.627  12.140
  295    HB2  GLU  38           HB2      GLU  38  24.655  -8.254  13.396
  296    HB3  GLU  38           HB3      GLU  38  24.547  -9.318  14.814
  297    HG2  GLU  38           HG2      GLU  38  26.535 -10.565  14.044
  298    HG3  GLU  38           HG3      GLU  38  26.542  -9.666  12.534
  299    H    SER  39           H        SER  39  21.664 -11.336  13.435
  300    HA   SER  39           HA       SER  39  20.744 -12.844  14.836
  301    HB2  SER  39           HB2      SER  39  23.438 -14.222  14.679
  302    HB3  SER  39           HB3      SER  39  21.937 -14.961  15.266
  303    HG   SER  39           HG       SER  39  22.361 -15.474  13.050
  304    H    SER  40           H        SER  40  21.914 -10.458  15.858
  305    HA   SER  40           HA       SER  40  22.449 -11.220  18.687
  306    HB2  SER  40           HB2      SER  40  23.989  -9.175  17.050
  307    HB3  SER  40           HB3      SER  40  24.137  -9.419  18.800
  308    HG   SER  40           HG       SER  40  25.753 -10.566  17.604
  309    H    ARG  41           H        ARG  41  22.624  -7.823  18.002
  310    HA   ARG  41           HA       ARG  41  19.817  -7.285  18.260
  311    HB2  ARG  41           HB2      ARG  41  19.720  -6.371  20.437
  312    HB3  ARG  41           HB3      ARG  41  20.323  -8.000  20.586
  313    HG2  ARG  41           HG2      ARG  41  22.062  -5.509  20.727
  314    HG3  ARG  41           HG3      ARG  41  21.361  -6.313  22.119
  315    HD2  ARG  41           HD2      ARG  41  23.380  -7.528  20.208
  316    HD3  ARG  41           HD3      ARG  41  23.712  -6.902  21.829
  317    HE   ARG  41           HE       ARG  41  21.680  -8.842  22.074
  318   HH11  ARG  41          HH21      ARG  41  25.173  -8.683  21.386
  319   HH12  ARG  41          HH22      ARG  41  25.484 -10.301  21.900
  320   HH21  ARG  41          HH11      ARG  41  22.108 -10.985  22.774
  321   HH22  ARG  41          HH12      ARG  41  23.709 -11.625  22.734
  322    H    VAL  42           H        VAL  42  19.675  -4.726  18.845
  323    HA   VAL  42           HA       VAL  42  21.097  -3.391  16.730
  324    HB   VAL  42           HB       VAL  42  19.787  -1.485  17.425
  325   HG11  VAL  42          HG11      VAL  42  18.632  -3.370  16.213
  326   HG12  VAL  42          HG12      VAL  42  17.967  -3.885  17.772
  327   HG13  VAL  42          HG13      VAL  42  17.570  -2.283  17.135
  328   HG21  VAL  42          HG21      VAL  42  19.979  -1.578  19.883
  329   HG22  VAL  42          HG22      VAL  42  18.292  -1.464  19.382
  330   HG23  VAL  42          HG23      VAL  42  18.939  -3.015  19.928
  331    H    HIS  43           H        HIS  43  21.991  -1.107  17.281
  332    HA   HIS  43           HA       HIS  43  24.144  -1.493  19.311
  333    HB2  HIS  43           HB2      HIS  43  24.708  -2.194  16.983
  334    HB3  HIS  43           HB3      HIS  43  24.433  -0.531  16.475
  335    HD1  HIS  43           HD1      HIS  43  26.802   0.637  16.234
  336    HD2  HIS  43           HD2      HIS  43  26.528  -2.156  19.383
  337    HE1  HIS  43           HE1      HIS  43  29.070   0.620  17.392
  338    HA   PRO  44           HA       PRO  44  22.144   2.427  20.484
  339    HB2  PRO  44           HB2      PRO  44  24.515   2.070  22.330
  340    HB3  PRO  44           HB3      PRO  44  22.941   2.867  22.680
  341    HG2  PRO  44           HG2      PRO  44  23.312   0.251  23.311
  342    HG3  PRO  44           HG3      PRO  44  21.775   0.787  22.559
  343    HD2  PRO  44           HD2      PRO  44  24.030  -0.740  21.331
  344    HD3  PRO  44           HD3      PRO  44  22.277  -0.710  20.902
  345    H    THR  45           H        THR  45  25.704   2.161  19.751
  346    HA   THR  45           HA       THR  45  26.106   4.940  19.459
  347    HB   THR  45           HB       THR  45  27.518   2.755  17.881
  348    HG1  THR  45           HG1      THR  45  28.767   2.416  19.720
  349   HG21  THR  45          HG21      THR  45  28.442   5.427  19.037
  350   HG22  THR  45          HG22      THR  45  29.491   4.253  18.198
  351   HG23  THR  45          HG23      THR  45  28.195   5.065  17.317
  352    H    ALA  46           H        ALA  46  24.779   2.536  17.116
  353    HA   ALA  46           HA       ALA  46  24.691   4.468  14.934
  354    HB1  ALA  46           HB1      ALA  46  24.663   2.019  14.546
  355    HB2  ALA  46           HB2      ALA  46  23.057   1.909  15.310
  356    HB3  ALA  46           HB3      ALA  46  23.267   2.804  13.788
  357    H    ILE  47           H        ILE  47  22.456   3.309  17.471
  358    HA   ILE  47           HA       ILE  47  20.169   4.751  16.640
  359    HB   ILE  47           HB       ILE  47  21.061   3.837  19.324
  360   HG12  ILE  47          HG12      ILE  47  18.899   2.559  19.187
  361   HG13  ILE  47          HG13      ILE  47  18.765   3.099  17.513
  362   HG21  ILE  47          HG21      ILE  47  18.551   5.450  18.797
  363   HG22  ILE  47          HG22      ILE  47  18.865   4.526  20.282
  364   HG23  ILE  47          HG23      ILE  47  19.884   5.895  19.882
  365   HD11  ILE  47          HD11      ILE  47  20.888   1.858  17.030
  366   HD12  ILE  47          HD12      ILE  47  20.903   1.297  18.745
  367   HD13  ILE  47          HD13      ILE  47  19.586   0.828  17.655
  368    H    ALA  48           H        ALA  48  22.893   5.803  18.750
  369    HA   ALA  48           HA       ALA  48  21.980   8.427  19.146
  370    HB1  ALA  48           HB1      ALA  48  24.865   7.469  18.944
  371    HB2  ALA  48           HB2      ALA  48  24.293   8.993  19.675
  372    HB3  ALA  48           HB3      ALA  48  23.848   7.435  20.409
  373    H    MET  49           H        MET  49  23.989   7.129  16.464
  374    HA   MET  49           HA       MET  49  24.384   9.681  15.247
  375    HB2  MET  49           HB2      MET  49  24.468   6.945  13.979
  376    HB3  MET  49           HB3      MET  49  24.895   8.457  13.164
  377    HG2  MET  49           HG2      MET  49  26.256   7.130  15.468
  378    HG3  MET  49           HG3      MET  49  26.902   7.562  13.883
  379    HE1  MET  49           HE1      MET  49  27.466   9.658  17.735
  380    HE2  MET  49           HE2      MET  49  25.799   9.147  17.439
  381    HE3  MET  49           HE3      MET  49  27.116   7.958  17.311
  382    H    MET  50           H        MET  50  21.636   7.514  15.280
  383    HA   MET  50           HA       MET  50  20.452   8.803  12.918
  384    HB2  MET  50           HB2      MET  50  19.326   6.642  14.718
  385    HB3  MET  50           HB3      MET  50  18.704   7.167  13.150
  386    HG2  MET  50           HG2      MET  50  20.837   5.328  13.791
  387    HG3  MET  50           HG3      MET  50  19.878   5.459  12.348
  388    HE1  MET  50           HE1      MET  50  22.394   4.281  11.777
  389    HE2  MET  50           HE2      MET  50  23.849   5.268  11.438
  390    HE3  MET  50           HE3      MET  50  23.384   4.941  13.103
  391    H    GLU  51           H        GLU  51  20.102   8.719  16.448
  392    HA   GLU  51           HA       GLU  51  17.890  10.468  16.675
  393    HB2  GLU  51           HB2      GLU  51  18.865   9.021  18.479
  394    HB3  GLU  51           HB3      GLU  51  20.318  10.024  18.504
  395    HG2  GLU  51           HG2      GLU  51  18.987  11.977  19.231
  396    HG3  GLU  51           HG3      GLU  51  17.503  11.030  19.105
  397    H    GLU  52           H        GLU  52  21.348  10.994  16.193
  398    HA   GLU  52           HA       GLU  52  21.484  13.813  16.338
  399    HB2  GLU  52           HB2      GLU  52  23.091  11.614  15.054
  400    HB3  GLU  52           HB3      GLU  52  23.471  13.261  14.612
  401    HG2  GLU  52           HG2      GLU  52  23.383  12.365  17.524
  402    HG3  GLU  52           HG3      GLU  52  24.817  12.188  16.521
  403    H    VAL  53           H        VAL  53  19.692  11.953  14.111
  404    HA   VAL  53           HA       VAL  53  19.277  14.349  12.442
  405    HB   VAL  53           HB       VAL  53  20.876  12.932  11.299
  406   HG11  VAL  53          HG11      VAL  53  20.415  10.734  12.049
  407   HG12  VAL  53          HG12      VAL  53  18.792  10.739  11.311
  408   HG13  VAL  53          HG13      VAL  53  20.253  10.754  10.296
  409   HG21  VAL  53          HG21      VAL  53  18.293  12.832   9.731
  410   HG22  VAL  53          HG22      VAL  53  19.273  14.294   9.965
  411   HG23  VAL  53          HG23      VAL  53  19.950  12.894   9.115
  412    H    GLY  54           H        GLY  54  17.921  12.632  14.714
  413    HA2  GLY  54           HA2      GLY  54  15.763  12.477  15.418
  414    HA3  GLY  54           HA3      GLY  54  15.267  13.393  13.992
  415    H    ILE  55           H        ILE  55  16.898  10.175  14.029
  416    HA   ILE  55           HA       ILE  55  14.459   8.947  12.888
  417    HB   ILE  55           HB       ILE  55  17.292   8.411  12.002
  418   HG12  ILE  55          HG12      ILE  55  14.878   9.786  10.724
  419   HG13  ILE  55          HG13      ILE  55  16.410  10.539  11.181
  420   HG21  ILE  55          HG21      ILE  55  16.026   6.305  11.932
  421   HG22  ILE  55          HG22      ILE  55  14.634   7.133  11.173
  422   HG23  ILE  55          HG23      ILE  55  16.153   6.909  10.307
  423   HD11  ILE  55          HD11      ILE  55  15.898   8.576   8.978
  424   HD12  ILE  55          HD12      ILE  55  16.526  10.231   8.865
  425   HD13  ILE  55          HD13      ILE  55  17.543   8.934   9.577
  426    H    ASP  56           H        ASP  56  14.231   6.662  13.376
  427    HA   ASP  56           HA       ASP  56  15.422   5.823  15.998
  428    HB2  ASP  56           HB2      ASP  56  13.206   6.171  16.568
  429    HB3  ASP  56           HB3      ASP  56  12.615   5.859  14.941
  430    H    ILE  57           H        ILE  57  16.581   4.042  15.872
  431    HA   ILE  57           HA       ILE  57  15.669   1.778  14.231
  432    HB   ILE  57           HB       ILE  57  18.000   1.192  13.682
  433   HG12  ILE  57          HG12      ILE  57  18.799   4.033  14.311
  434   HG13  ILE  57          HG13      ILE  57  19.297   2.587  15.200
  435   HG21  ILE  57          HG21      ILE  57  16.264   2.362  12.156
  436   HG22  ILE  57          HG22      ILE  57  17.284   3.812  12.347
  437   HG23  ILE  57          HG23      ILE  57  17.932   2.311  11.627
  438   HD11  ILE  57          HD11      ILE  57  19.917   3.211  12.273
  439   HD12  ILE  57          HD12      ILE  57  21.044   3.188  13.644
  440   HD13  ILE  57          HD13      ILE  57  20.320   1.678  13.093
  441    H    SER  58           H        SER  58  15.949   2.905  17.204
  442    HA   SER  58           HA       SER  58  17.287   0.846  18.631
  443    HB2  SER  58           HB2      SER  58  15.069   2.403  19.888
  444    HB3  SER  58           HB3      SER  58  16.738   2.150  20.432
  445    HG   SER  58           HG       SER  58  16.205   4.351  19.784
  446    H    GLY  59           H        GLY  59  13.898   1.427  17.602
  447    HA2  GLY  59           HA2      GLY  59  12.793  -0.730  19.173
  448    HA3  GLY  59           HA3      GLY  59  11.977   0.228  17.928
  449    H    GLN  60           H        GLN  60  14.635  -0.894  16.346
  450    HA   GLN  60           HA       GLN  60  13.183  -2.886  14.840
  451    HB2  GLN  60           HB2      GLN  60  16.055  -1.850  14.823
  452    HB3  GLN  60           HB3      GLN  60  15.428  -3.033  13.659
  453    HG2  GLN  60           HG2      GLN  60  13.708  -1.422  12.952
  454    HG3  GLN  60           HG3      GLN  60  14.384  -0.208  14.078
  455   HE21  GLN  60          HE22      GLN  60  14.256  -0.418  10.962
  456   HE22  GLN  60          HE21      GLN  60  15.933  -0.042  10.521
  457    H    THR  61           H        THR  61  13.933  -5.072  14.598
  458    HA   THR  61           HA       THR  61  15.871  -6.060  16.512
  459    HB   THR  61           HB       THR  61  14.032  -7.924  17.162
  460    HG1  THR  61           HG1      THR  61  11.974  -7.073  17.290
  461   HG21  THR  61          HG21      THR  61  13.892  -5.212  18.480
  462   HG22  THR  61          HG22      THR  61  13.734  -6.818  19.226
  463   HG23  THR  61          HG23      THR  61  15.316  -6.275  18.609
  464    H    SER  62           H        SER  62  16.284  -8.394  16.461
  465    HA   SER  62           HA       SER  62  16.990  -9.258  13.895
  466    HB2  SER  62           HB2      SER  62  16.804 -10.930  16.431
  467    HB3  SER  62           HB3      SER  62  17.999 -11.060  15.124
  468    HG   SER  62           HG       SER  62  18.733  -9.948  17.088
  469    H    ASP  63           H        ASP  63  16.168 -10.802  12.524
  470    HA   ASP  63           HA       ASP  63  14.386 -12.865  13.387
  471    HB2  ASP  63           HB2      ASP  63  12.864 -10.804  12.946
  472    HB3  ASP  63           HB3      ASP  63  13.300 -10.974  11.262
  473    HA   PRO  64           HA       PRO  64  17.376 -14.025  10.309
  474    HB2  PRO  64           HB2      PRO  64  17.036 -16.740  10.098
  475    HB3  PRO  64           HB3      PRO  64  17.687 -15.926  11.551
  476    HG2  PRO  64           HG2      PRO  64  14.849 -16.845  11.041
  477    HG3  PRO  64           HG3      PRO  64  15.844 -17.104  12.503
  478    HD2  PRO  64           HD2      PRO  64  14.000 -15.095  12.317
  479    HD3  PRO  64           HD3      PRO  64  15.527 -14.896  13.234
  480    H    ILE  65           H        ILE  65  17.736 -14.649   8.132
  481    HA   ILE  65           HA       ILE  65  15.788 -13.686   6.350
  482    HB   ILE  65           HB       ILE  65  18.217 -13.542   6.010
  483   HG12  ILE  65          HG12      ILE  65  16.766 -14.931   3.700
  484   HG13  ILE  65          HG13      ILE  65  16.773 -13.214   4.093
  485   HG21  ILE  65          HG21      ILE  65  19.624 -15.367   5.333
  486   HG22  ILE  65          HG22      ILE  65  18.813 -15.891   6.798
  487   HG23  ILE  65          HG23      ILE  65  18.255 -16.484   5.219
  488   HD11  ILE  65          HD11      ILE  65  19.314 -13.236   3.698
  489   HD12  ILE  65          HD12      ILE  65  19.109 -14.871   3.045
  490   HD13  ILE  65          HD13      ILE  65  18.275 -13.506   2.291
  491    H    GLU  66           H        GLU  66  16.626 -16.994   7.231
  492    HA   GLU  66           HA       GLU  66  15.211 -18.204   5.097
  493    HB2  GLU  66           HB2      GLU  66  16.315 -19.129   7.776
  494    HB3  GLU  66           HB3      GLU  66  15.443 -20.265   6.716
  495    HG2  GLU  66           HG2      GLU  66  17.063 -19.742   4.885
  496    HG3  GLU  66           HG3      GLU  66  17.966 -18.715   6.003
  497    H    ASN  67           H        ASN  67  14.022 -16.832   8.052
  498    HA   ASN  67           HA       ASN  67  11.552 -18.337   7.938
  499    HB2  ASN  67           HB2      ASN  67  11.281 -17.749  10.023
  500    HB3  ASN  67           HB3      ASN  67  12.863 -16.995   9.997
  501   HD21  ASN  67          HD22      ASN  67  12.911 -14.600   9.302
  502   HD22  ASN  67          HD21      ASN  67  11.584 -13.652   9.967
  503    H    PHE  68           H        PHE  68  12.854 -15.659   6.194
  504    HA   PHE  68           HA       PHE  68  10.257 -14.339   5.906
  505    HB2  PHE  68           HB2      PHE  68  13.030 -13.649   4.918
  506    HB3  PHE  68           HB3      PHE  68  11.606 -12.847   4.296
  507    HD1  PHE  68           HD1      PHE  68  10.103 -11.509   5.767
  508    HD2  PHE  68           HD2      PHE  68  13.783 -13.208   7.207
  509    HE1  PHE  68           HE1      PHE  68  10.009 -10.025   7.749
  510    HE2  PHE  68           HE2      PHE  68  13.681 -11.745   9.196
  511    HZ   PHE  68           HZ       PHE  68  11.816 -10.113   9.459
  512    H    ASN  69           H        ASN  69   9.646 -13.753   3.595
  513    HA   ASN  69           HA       ASN  69  10.042 -15.903   1.629
  514    HB2  ASN  69           HB2      ASN  69   8.034 -16.527   2.961
  515    HB3  ASN  69           HB3      ASN  69   7.431 -14.861   2.824
  516   HD21  ASN  69          HD22      ASN  69   7.057 -14.037   0.808
  517   HD22  ASN  69          HD21      ASN  69   6.218 -15.015  -0.433
  518    H    ALA  70           H        ALA  70  11.384 -14.241   0.598
  519    HA   ALA  70           HA       ALA  70  10.739 -11.556   0.389
  520    HB1  ALA  70           HB1      ALA  70  12.144 -13.376  -1.580
  521    HB2  ALA  70           HB2      ALA  70  12.152 -11.588  -1.629
  522    HB3  ALA  70           HB3      ALA  70  12.848 -12.418  -0.232
  523    H    ASP  71           H        ASP  71   9.305 -14.270  -1.254
  524    HA   ASP  71           HA       ASP  71   8.226 -13.032  -3.564
  525    HB2  ASP  71           HB2      ASP  71   7.857 -15.258  -3.700
  526    HB3  ASP  71           HB3      ASP  71   7.659 -15.470  -1.969
  527    H    ASP  72           H        ASP  72   7.419 -12.678  -0.185
  528    HA   ASP  72           HA       ASP  72   4.824 -11.435  -0.697
  529    HB2  ASP  72           HB2      ASP  72   5.302 -12.900   1.284
  530    HB3  ASP  72           HB3      ASP  72   6.376 -11.654   1.897
  531    H    TYR  73           H        TYR  73   8.023 -10.211  -0.996
  532    HA   TYR  73           HA       TYR  73   7.175  -7.548  -0.123
  533    HB2  TYR  73           HB2      TYR  73   9.967  -8.660   0.205
  534    HB3  TYR  73           HB3      TYR  73   9.400  -7.030   0.641
  535    HD1  TYR  73           HD1      TYR  73   8.908 -10.649   1.370
  536    HD2  TYR  73           HD2      TYR  73   8.675  -6.630   2.843
  537    HE1  TYR  73           HE1      TYR  73   8.322 -11.547   3.585
  538    HE2  TYR  73           HE2      TYR  73   8.094  -7.487   5.115
  539    HH   TYR  73           HH       TYR  73   7.626  -9.390   6.413
  540    H    ASP  74           H        ASP  74   7.165  -6.158  -1.782
  541    HA   ASP  74           HA       ASP  74   7.867  -7.226  -4.359
  542    HB2  ASP  74           HB2      ASP  74   6.056  -5.399  -3.620
  543    HB3  ASP  74           HB3      ASP  74   7.398  -4.293  -3.953
  544    H    VAL  75           H        VAL  75   9.924  -5.605  -2.137
  545    HA   VAL  75           HA       VAL  75  11.883  -4.943  -4.288
  546    HB   VAL  75           HB       VAL  75  10.579  -3.230  -2.301
  547   HG11  VAL  75          HG11      VAL  75  12.609  -1.748  -3.846
  548   HG12  VAL  75          HG12      VAL  75  12.046  -1.559  -2.225
  549   HG13  VAL  75          HG13      VAL  75  13.252  -2.822  -2.592
  550   HG21  VAL  75          HG21      VAL  75  10.146  -1.618  -4.075
  551   HG22  VAL  75          HG22      VAL  75  10.759  -2.800  -5.252
  552   HG23  VAL  75          HG23      VAL  75   9.323  -3.142  -4.273
  553    H    VAL  76           H        VAL  76  13.864  -5.949  -3.679
  554    HA   VAL  76           HA       VAL  76  14.331  -6.322  -0.764
  555    HB   VAL  76           HB       VAL  76  14.986  -7.938  -3.279
  556   HG11  VAL  76          HG11      VAL  76  16.433  -9.389  -2.043
  557   HG12  VAL  76          HG12      VAL  76  17.064  -7.788  -1.852
  558   HG13  VAL  76          HG13      VAL  76  16.151  -8.487  -0.512
  559   HG21  VAL  76          HG21      VAL  76  13.880  -9.781  -2.140
  560   HG22  VAL  76          HG22      VAL  76  13.630  -8.792  -0.679
  561   HG23  VAL  76          HG23      VAL  76  12.789  -8.394  -2.189
  562    H    ILE  77           H        ILE  77  16.022  -5.294  -0.006
  563    HA   ILE  77           HA       ILE  77  18.224  -4.503  -1.833
  564    HB   ILE  77           HB       ILE  77  17.179  -3.098   0.649
  565   HG12  ILE  77          HG12      ILE  77  15.710  -2.414  -1.082
  566   HG13  ILE  77          HG13      ILE  77  16.894  -1.139  -0.823
  567   HG21  ILE  77          HG21      ILE  77  19.654  -3.094   0.466
  568   HG22  ILE  77          HG22      ILE  77  19.541  -2.424  -1.155
  569   HG23  ILE  77          HG23      ILE  77  18.967  -1.494   0.255
  570   HD11  ILE  77          HD11      ILE  77  18.125  -1.943  -2.890
  571   HD12  ILE  77          HD12      ILE  77  16.793  -3.075  -3.160
  572   HD13  ILE  77          HD13      ILE  77  16.473  -1.362  -3.221
  573    H    SER  78           H        SER  78  19.453  -6.365  -1.432
  574    HA   SER  78           HA       SER  78  19.696  -7.217   1.370
  575    HB2  SER  78           HB2      SER  78  21.279  -8.896   0.423
  576    HB3  SER  78           HB3      SER  78  19.611  -8.963  -0.226
  577    HG   SER  78           HG       SER  78  22.004  -8.055  -1.372
  578    H    LEU  79           H        LEU  79  21.901  -7.077   2.421
  579    HA   LEU  79           HA       LEU  79  23.772  -5.168   1.201
  580    HB2  LEU  79           HB2      LEU  79  22.773  -4.869   4.062
  581    HB3  LEU  79           HB3      LEU  79  24.182  -4.078   3.372
  582    HG   LEU  79           HG       LEU  79  22.417  -3.169   1.587
  583   HD11  LEU  79          HD11      LEU  79  20.298  -2.519   2.660
  584   HD12  LEU  79          HD12      LEU  79  20.414  -4.274   2.527
  585   HD13  LEU  79          HD13      LEU  79  20.683  -3.504   4.084
  586   HD21  LEU  79          HD21      LEU  79  23.850  -1.746   2.913
  587   HD22  LEU  79          HD22      LEU  79  22.206  -1.114   2.980
  588   HD23  LEU  79          HD23      LEU  79  22.880  -2.014   4.363
  589    H    CYS  80           H        CYS  80  23.797  -7.827   1.026
  590    HA   CYS  80           HA       CYS  80  24.993  -9.139   3.358
  591    HB2  CYS  80           HB2      CYS  80  24.206 -10.103   0.545
  592    HB3  CYS  80           HB3      CYS  80  24.805 -11.149   1.837
  593    HG   CYS  80           HG       CYS  80  22.945 -10.719   3.568
  594    H    GLY  81           H        GLY  81  26.363  -6.974   1.474
  595    HA2  GLY  81           HA2      GLY  81  28.548  -6.526   0.872
  596    HA3  GLY  81           HA3      GLY  81  29.045  -8.084   1.558
  597    H    CYS  82           H        CYS  82  26.483  -7.753  -0.856
  598    HA   CYS  82           HA       CYS  82  26.036  -8.904  -2.688
  599    HB2  CYS  82           HB2      CYS  82  27.752  -7.058  -3.377
  600    HB3  CYS  82           HB3      CYS  82  28.855  -8.412  -3.676
  601    HG   CYS  82           HG       CYS  82  27.763  -7.583  -5.936
  602    H    GLY  83           H        GLY  83  27.162 -10.650  -4.339
  603    HA2  GLY  83           HA2      GLY  83  28.104 -12.708  -4.707
  604    HA3  GLY  83           HA3      GLY  83  28.993 -12.518  -3.193
  605    H    VAL  84           H        VAL  84  26.658 -12.355  -1.447
  606    HA   VAL  84           HA       VAL  84  26.103 -15.041  -0.874
  607    HB   VAL  84           HB       VAL  84  24.603 -12.511  -0.115
  608   HG11  VAL  84          HG11      VAL  84  23.087 -14.397   0.227
  609   HG12  VAL  84          HG12      VAL  84  24.361 -15.330   1.034
  610   HG13  VAL  84          HG13      VAL  84  23.678 -13.862   1.788
  611   HG21  VAL  84          HG21      VAL  84  26.861 -12.434   0.712
  612   HG22  VAL  84          HG22      VAL  84  25.881 -12.980   2.083
  613   HG23  VAL  84          HG23      VAL  84  26.825 -14.160   1.172
  614    H    ASN  85           H        ASN  85  24.853 -16.469  -1.904
  615    HA   ASN  85           HA       ASN  85  23.046 -15.624  -4.055
  616    HB2  ASN  85           HB2      ASN  85  22.759 -17.864  -4.616
  617    HB3  ASN  85           HB3      ASN  85  24.447 -17.789  -4.161
  618   HD21  ASN  85          HD22      ASN  85  25.125 -19.044  -2.279
  619   HD22  ASN  85          HD21      ASN  85  24.030 -20.116  -1.444
  620    H    LEU  86           H        LEU  86  20.785 -15.937  -3.921
  621    HA   LEU  86           HA       LEU  86  19.608 -16.260  -1.205
  622    HB2  LEU  86           HB2      LEU  86  18.670 -14.244  -3.283
  623    HB3  LEU  86           HB3      LEU  86  18.015 -14.482  -1.672
  624    HG   LEU  86           HG       LEU  86  20.765 -13.339  -2.320
  625   HD11  LEU  86          HD11      LEU  86  18.274 -11.970  -1.206
  626   HD12  LEU  86          HD12      LEU  86  19.838 -11.209  -1.595
  627   HD13  LEU  86          HD13      LEU  86  18.823 -11.876  -2.888
  628   HD21  LEU  86          HD21      LEU  86  19.363 -13.486   0.376
  629   HD22  LEU  86          HD22      LEU  86  20.733 -14.499  -0.089
  630   HD23  LEU  86          HD23      LEU  86  20.947 -12.750   0.050
  631    HA   PRO  87           HA       PRO  87  16.878 -19.082  -3.413
  632    HB2  PRO  87           HB2      PRO  87  14.594 -17.740  -2.016
  633    HB3  PRO  87           HB3      PRO  87  14.981 -19.476  -2.115
  634    HG2  PRO  87           HG2      PRO  87  15.468 -17.985   0.153
  635    HG3  PRO  87           HG3      PRO  87  16.524 -19.340  -0.349
  636    HD2  PRO  87           HD2      PRO  87  17.023 -16.396  -0.569
  637    HD3  PRO  87           HD3      PRO  87  18.171 -17.741  -0.351
  638    HA   PRO  88           HA       PRO  88  15.804 -16.614  -6.715
  639    HB2  PRO  88           HB2      PRO  88  13.811 -17.952  -8.145
  640    HB3  PRO  88           HB3      PRO  88  15.529 -18.437  -8.068
  641    HG2  PRO  88           HG2      PRO  88  13.233 -19.452  -6.373
  642    HG3  PRO  88           HG3      PRO  88  14.492 -20.409  -7.225
  643    HD2  PRO  88           HD2      PRO  88  14.701 -19.851  -4.581
  644    HD3  PRO  88           HD3      PRO  88  16.147 -19.798  -5.638
  645    H    GLU  89           H        GLU  89  13.149 -17.110  -4.488
  646    HA   GLU  89           HA       GLU  89  11.266 -15.369  -5.732
  647    HB2  GLU  89           HB2      GLU  89  10.288 -15.259  -3.452
  648    HB3  GLU  89           HB3      GLU  89  10.469 -16.893  -4.102
  649    HG2  GLU  89           HG2      GLU  89  12.439 -17.264  -2.685
  650    HG3  GLU  89           HG3      GLU  89  12.327 -15.616  -2.057
  651    H    TRP  90           H        TRP  90  14.163 -14.846  -3.809
  652    HA   TRP  90           HA       TRP  90  13.567 -12.122  -3.148
  653    HB2  TRP  90           HB2      TRP  90  16.184 -13.660  -3.369
  654    HB3  TRP  90           HB3      TRP  90  16.079 -12.010  -2.772
  655    HD1  TRP  90           HD1      TRP  90  14.929 -15.569  -1.744
  656    HE1  TRP  90           HE1      TRP  90  14.520 -15.642   0.790
  657    HE3  TRP  90           HE3      TRP  90  15.564 -10.697  -0.693
  658    HZ2  TRP  90           HZ2      TRP  90  14.429 -13.782   2.984
  659    HZ3  TRP  90           HZ3      TRP  90  15.321  -9.776   1.581
  660    HH2  TRP  90           HH2      TRP  90  14.660 -11.347   3.460
  661    H    VAL  91           H        VAL  91  14.222 -13.491  -6.210
  662    HA   VAL  91           HA       VAL  91  15.621 -11.135  -7.206
  663    HB   VAL  91           HB       VAL  91  15.166 -13.787  -8.419
  664   HG11  VAL  91          HG11      VAL  91  17.068 -13.242  -9.917
  665   HG12  VAL  91          HG12      VAL  91  15.693 -12.166 -10.152
  666   HG13  VAL  91          HG13      VAL  91  17.108 -11.601  -9.239
  667   HG21  VAL  91          HG21      VAL  91  16.532 -14.124  -6.422
  668   HG22  VAL  91          HG22      VAL  91  17.566 -14.271  -7.836
  669   HG23  VAL  91          HG23      VAL  91  17.591 -12.773  -6.880
  670    H    THR  92           H        THR  92  12.519 -12.846  -7.473
  671    HA   THR  92           HA       THR  92  11.846 -11.871 -10.060
  672    HB   THR  92           HB       THR  92   9.587 -12.910  -9.339
  673    HG1  THR  92           HG1      THR  92   9.574 -13.963  -7.397
  674   HG21  THR  92          HG21      THR  92  10.533 -15.191  -9.415
  675   HG22  THR  92          HG22      THR  92  11.374 -14.136 -10.568
  676   HG23  THR  92          HG23      THR  92  12.147 -14.553  -9.025
  677    H    GLN  93           H        GLN  93  11.683 -10.368  -7.051
  678    HA   GLN  93           HA       GLN  93   9.482  -8.744  -6.985
  679    HB2  GLN  93           HB2      GLN  93  12.389  -8.546  -6.088
  680    HB3  GLN  93           HB3      GLN  93  11.121  -7.512  -5.446
  681    HG2  GLN  93           HG2      GLN  93  11.795 -10.318  -4.878
  682    HG3  GLN  93           HG3      GLN  93  11.203  -9.074  -3.810
  683   HE21  GLN  93          HE22      GLN  93  10.471 -11.984  -5.115
  684   HE22  GLN  93          HE21      GLN  93   8.725 -11.904  -5.319
  685    H    GLU  94           H        GLU  94   9.585  -6.267  -6.999
  686    HA   GLU  94           HA       GLU  94   9.985  -5.418  -9.705
  687    HB2  GLU  94           HB2      GLU  94   8.094  -4.437  -8.776
  688    HB3  GLU  94           HB3      GLU  94   8.790  -4.381  -7.167
  689    HG2  GLU  94           HG2      GLU  94   8.479  -2.169  -7.907
  690    HG3  GLU  94           HG3      GLU  94  10.179  -2.538  -7.669
  691    H    ILE  95           H        ILE  95  11.473  -4.994  -6.472
  692    HA   ILE  95           HA       ILE  95  13.929  -4.059  -7.950
  693    HB   ILE  95           HB       ILE  95  12.986  -3.261  -5.228
  694   HG12  ILE  95          HG12      ILE  95  12.202  -1.754  -6.892
  695   HG13  ILE  95          HG13      ILE  95  13.482  -0.984  -5.915
  696   HG21  ILE  95          HG21      ILE  95  15.798  -2.964  -6.335
  697   HG22  ILE  95          HG22      ILE  95  15.173  -2.059  -4.949
  698   HG23  ILE  95          HG23      ILE  95  15.293  -3.804  -4.850
  699   HD11  ILE  95          HD11      ILE  95  13.787  -2.039  -8.770
  700   HD12  ILE  95          HD12      ILE  95  13.625  -0.352  -8.279
  701   HD13  ILE  95          HD13      ILE  95  15.066  -1.270  -7.801
  702    H    PHE  96           H        PHE  96  15.675  -5.262  -7.701
  703    HA   PHE  96           HA       PHE  96  16.043  -6.663  -5.227
  704    HB2  PHE  96           HB2      PHE  96  15.267  -8.615  -6.375
  705    HB3  PHE  96           HB3      PHE  96  16.261  -8.250  -7.802
  706    HD1  PHE  96           HD1      PHE  96  17.162  -7.979  -4.116
  707    HD2  PHE  96           HD2      PHE  96  17.980  -9.940  -7.880
  708    HE1  PHE  96           HE1      PHE  96  19.054  -9.008  -3.118
  709    HE2  PHE  96           HE2      PHE  96  19.949 -11.034  -6.832
  710    HZ   PHE  96           HZ       PHE  96  20.516 -10.581  -4.453
  711    H    GLU  97           H        GLU  97  17.747  -5.683  -4.568
  712    HA   GLU  97           HA       GLU  97  20.075  -5.218  -6.318
  713    HB2  GLU  97           HB2      GLU  97  18.521  -3.170  -4.696
  714    HB3  GLU  97           HB3      GLU  97  20.248  -2.967  -4.982
  715    HG2  GLU  97           HG2      GLU  97  19.888  -2.917  -7.387
  716    HG3  GLU  97           HG3      GLU  97  18.152  -3.217  -7.164
  717    H    ASP  98           H        ASP  98  21.885  -4.657  -4.886
  718    HA   ASP  98           HA       ASP  98  21.684  -5.515  -2.111
  719    HB2  ASP  98           HB2      ASP  98  22.600  -7.524  -3.173
  720    HB3  ASP  98           HB3      ASP  98  23.889  -6.567  -3.923
  721    H    TRP  99           H        TRP  99  22.666  -3.939  -0.896
  722    HA   TRP  99           HA       TRP  99  24.429  -1.953  -2.285
  723    HB2  TRP  99           HB2      TRP  99  22.658  -1.523   0.140
  724    HB3  TRP  99           HB3      TRP  99  23.713  -0.343  -0.599
  725    HD1  TRP  99           HD1      TRP  99  22.406  -1.473  -3.649
  726    HE1  TRP  99           HE1      TRP  99  20.210  -0.409  -4.349
  727    HE3  TRP  99           HE3      TRP  99  21.055   0.563   0.862
  728    HZ2  TRP  99           HZ2      TRP  99  17.936   0.852  -3.015
  729    HZ3  TRP  99           HZ3      TRP  99  18.823   1.669   1.097
  730    HH2  TRP  99           HH2      TRP  99  17.263   1.725  -0.806
  731    H    GLN 100           H        GLN 100  26.113  -3.405  -2.010
  732    HA   GLN 100           HA       GLN 100  27.110  -4.418   0.427
  733    HB2  GLN 100           HB2      GLN 100  29.186  -4.767  -0.810
  734    HB3  GLN 100           HB3      GLN 100  27.749  -5.516  -1.486
  735    HG2  GLN 100           HG2      GLN 100  29.095  -3.015  -2.528
  736    HG3  GLN 100           HG3      GLN 100  29.343  -4.648  -3.156
  737   HE21  GLN 100          HE21      GLN 100  26.289  -5.312  -2.934
  738   HE22  GLN 100          HE22      GLN 100  25.593  -4.374  -4.218
  739    H    LEU 101           H        LEU 101  26.571  -1.864   1.245
  740    HA   LEU 101           HA       LEU 101  28.756  -0.084   0.723
  741    HB2  LEU 101           HB2      LEU 101  26.102   0.030   2.041
  742    HB3  LEU 101           HB3      LEU 101  27.276   0.840   3.037
  743    HG   LEU 101           HG       LEU 101  26.107   2.388   1.569
  744   HD11  LEU 101          HD11      LEU 101  29.037   2.172   0.757
  745   HD12  LEU 101          HD12      LEU 101  28.013   3.604   0.649
  746   HD13  LEU 101          HD13      LEU 101  28.411   2.954   2.240
  747   HD21  LEU 101          HD21      LEU 101  27.398   0.942  -0.789
  748   HD22  LEU 101          HD22      LEU 101  25.678   0.877  -0.343
  749   HD23  LEU 101          HD23      LEU 101  26.406   2.408  -0.846
  750    H    GLU 102           H        GLU 102  29.844   1.082   2.645
  751    HA   GLU 102           HA       GLU 102  31.793  -0.457   3.726
  752    HB2  GLU 102           HB2      GLU 102  30.560   2.179   4.583
  753    HB3  GLU 102           HB3      GLU 102  31.930   1.482   5.486
  754    HG2  GLU 102           HG2      GLU 102  33.267   1.385   3.443
  755    HG3  GLU 102           HG3      GLU 102  31.946   2.098   2.505
  756    H    ASP 103           H        ASP 103  32.289  -1.381   5.619
  757    HA   ASP 103           HA       ASP 103  30.086  -2.472   7.308
  758    HB2  ASP 103           HB2      ASP 103  31.629  -4.077   6.491
  759    HB3  ASP 103           HB3      ASP 103  33.016  -3.126   7.036
  760    HA   PRO 104           HA       PRO 104  31.566   0.811  10.132
  761    HB2  PRO 104           HB2      PRO 104  29.383   1.207  11.621
  762    HB3  PRO 104           HB3      PRO 104  29.411   1.689   9.900
  763    HG2  PRO 104           HG2      PRO 104  28.267  -0.870  11.088
  764    HG3  PRO 104           HG3      PRO 104  27.483   0.268   9.934
  765    HD2  PRO 104           HD2      PRO 104  28.816  -2.019   9.142
  766    HD3  PRO 104           HD3      PRO 104  28.741  -0.526   8.146
  767    H    ASP 105           H        ASP 105  30.855  -2.498  10.709
  768    HA   ASP 105           HA       ASP 105  30.722  -3.818  12.613
  769    HB2  ASP 105           HB2      ASP 105  32.803  -4.172  11.449
  770    HB3  ASP 105           HB3      ASP 105  33.576  -2.857  12.312
  771    H    GLY 106           H        GLY 106  33.334  -2.195  14.084
  772    HA2  GLY 106           HA2      GLY 106  31.687  -0.961  16.258
  773    HA3  GLY 106           HA3      GLY 106  33.080  -1.994  16.633
  774    H    GLN 107           H        GLN 107  32.586   0.460  14.083
  775    HA   GLN 107           HA       GLN 107  35.236   1.544  14.295
  776    HB2  GLN 107           HB2      GLN 107  32.702   2.313  12.785
  777    HB3  GLN 107           HB3      GLN 107  34.179   3.231  12.600
  778    HG2  GLN 107           HG2      GLN 107  34.456   0.293  12.258
  779    HG3  GLN 107           HG3      GLN 107  33.592   1.215  11.025
  780   HE21  GLN 107          HE22      GLN 107  34.962   1.536   9.298
  781   HE22  GLN 107          HE21      GLN 107  36.607   2.108   9.449
  782    H    SER 108           H        SER 108  35.138   4.055  13.905
  783    HA   SER 108           HA       SER 108  34.669   5.385  16.450
  784    HB2  SER 108           HB2      SER 108  35.490   7.380  14.995
  785    HB3  SER 108           HB3      SER 108  36.627   6.066  15.335
  786    HG   SER 108           HG       SER 108  36.687   6.606  13.134
  787    H    LEU 109           H        LEU 109  33.316   7.410  16.501
  788    HA   LEU 109           HA       LEU 109  30.660   7.012  15.636
  789    HB2  LEU 109           HB2      LEU 109  32.030   9.684  16.215
  790    HB3  LEU 109           HB3      LEU 109  30.302   9.426  16.058
  791    HG   LEU 109           HG       LEU 109  32.113   8.498  18.301
  792   HD11  LEU 109          HD11      LEU 109  30.546   9.848  19.662
  793   HD12  LEU 109          HD12      LEU 109  31.268  10.823  18.372
  794   HD13  LEU 109          HD13      LEU 109  29.602  10.244  18.206
  795   HD21  LEU 109          HD21      LEU 109  29.250   7.657  17.721
  796   HD22  LEU 109          HD22      LEU 109  30.663   6.603  17.925
  797   HD23  LEU 109          HD23      LEU 109  30.028   7.492  19.313
  798    H    GLU 110           H        GLU 110  33.336   8.662  14.021
  799    HA   GLU 110           HA       GLU 110  31.849  10.115  12.117
  800    HB2  GLU 110           HB2      GLU 110  34.662   8.929  11.963
  801    HB3  GLU 110           HB3      GLU 110  33.985  10.052  10.765
  802    HG2  GLU 110           HG2      GLU 110  33.502  11.663  12.595
  803    HG3  GLU 110           HG3      GLU 110  34.321  10.584  13.735
  804    H    VAL 111           H        VAL 111  32.929   6.670  12.061
  805    HA   VAL 111           HA       VAL 111  32.141   6.482   9.314
  806    HB   VAL 111           HB       VAL 111  32.728   4.282  11.333
  807   HG11  VAL 111          HG11      VAL 111  31.510   3.375   9.400
  808   HG12  VAL 111          HG12      VAL 111  32.645   4.185   8.285
  809   HG13  VAL 111          HG13      VAL 111  33.196   2.871   9.337
  810   HG21  VAL 111          HG21      VAL 111  34.517   5.684   9.272
  811   HG22  VAL 111          HG22      VAL 111  34.675   5.788  11.035
  812   HG23  VAL 111          HG23      VAL 111  34.988   4.269  10.222
  813    H    PHE 112           H        PHE 112  30.595   5.594  12.471
  814    HA   PHE 112           HA       PHE 112  28.166   4.651  11.369
  815    HB2  PHE 112           HB2      PHE 112  28.710   6.113  13.997
  816    HB3  PHE 112           HB3      PHE 112  27.140   5.440  13.557
  817    HD1  PHE 112           HD1      PHE 112  26.960   2.980  12.911
  818    HD2  PHE 112           HD2      PHE 112  30.317   4.666  15.012
  819    HE1  PHE 112           HE1      PHE 112  27.702   0.690  13.601
  820    HE2  PHE 112           HE2      PHE 112  30.989   2.391  15.761
  821    HZ   PHE 112           HZ       PHE 112  29.708   0.403  15.010
  822    H    ARG 113           H        ARG 113  29.222   8.055  11.796
  823    HA   ARG 113           HA       ARG 113  26.674   9.142  10.843
  824    HB2  ARG 113           HB2      ARG 113  29.474  10.390  10.740
  825    HB3  ARG 113           HB3      ARG 113  27.963  11.240  10.437
  826    HG2  ARG 113           HG2      ARG 113  27.231  10.770  12.783
  827    HG3  ARG 113           HG3      ARG 113  28.766   9.945  13.075
  828    HD2  ARG 113           HD2      ARG 113  29.181  12.026  13.980
  829    HD3  ARG 113           HD3      ARG 113  29.932  12.122  12.397
  830    HE   ARG 113           HE       ARG 113  28.341  13.647  11.676
  831   HH11  ARG 113          HH11      ARG 113  27.456  12.520  14.945
  832   HH12  ARG 113          HH12      ARG 113  26.412  13.879  15.268
  833   HH21  ARG 113          HH21      ARG 113  26.909  15.413  12.128
  834   HH22  ARG 113          HH22      ARG 113  26.080  15.492  13.643
  835    H    THR 114           H        THR 114  29.785   8.395   9.243
  836    HA   THR 114           HA       THR 114  29.020   9.617   6.788
  837    HB   THR 114           HB       THR 114  31.273   7.705   7.556
  838    HG1  THR 114           HG1      THR 114  31.491   9.543   8.667
  839   HG21  THR 114          HG21      THR 114  30.941   9.383   5.036
  840   HG22  THR 114          HG22      THR 114  32.495   8.718   5.593
  841   HG23  THR 114          HG23      THR 114  31.175   7.620   5.176
  842    H    VAL 115           H        VAL 115  28.907   6.204   7.888
  843    HA   VAL 115           HA       VAL 115  28.447   5.182   5.194
  844    HB   VAL 115           HB       VAL 115  28.079   3.902   7.943
  845   HG11  VAL 115          HG11      VAL 115  28.101   2.602   5.172
  846   HG12  VAL 115          HG12      VAL 115  28.118   1.736   6.721
  847   HG13  VAL 115          HG13      VAL 115  26.702   2.692   6.262
  848   HG21  VAL 115          HG21      VAL 115  30.309   3.848   5.864
  849   HG22  VAL 115          HG22      VAL 115  30.410   4.485   7.485
  850   HG23  VAL 115          HG23      VAL 115  30.229   2.741   7.258
  851    H    ARG 116           H        ARG 116  26.443   5.864   8.058
  852    HA   ARG 116           HA       ARG 116  23.845   5.529   7.187
  853    HB2  ARG 116           HB2      ARG 116  24.359   6.195   9.404
  854    HB3  ARG 116           HB3      ARG 116  25.334   7.535   8.869
  855    HG2  ARG 116           HG2      ARG 116  23.077   8.625   8.089
  856    HG3  ARG 116           HG3      ARG 116  22.366   7.411   9.177
  857    HD2  ARG 116           HD2      ARG 116  22.680   9.138  10.621
  858    HD3  ARG 116           HD3      ARG 116  24.234   8.259  10.835
  859    HE   ARG 116           HE       ARG 116  24.982   9.938   8.914
  860   HH11  ARG 116          HH11      ARG 116  23.230  10.738  11.954
  861   HH12  ARG 116          HH12      ARG 116  23.622  12.416  11.844
  862   HH21  ARG 116          HH21      ARG 116  25.475  12.155   8.831
  863   HH22  ARG 116          HH22      ARG 116  24.949  13.225  10.074
  864    H    GLY 117           H        GLY 117  25.843   8.539   6.500
  865    HA2  GLY 117           HA2      GLY 117  23.716   9.720   5.052
  866    HA3  GLY 117           HA3      GLY 117  25.434  10.167   4.892
  867    H    GLN 118           H        GLN 118  26.429   7.672   3.882
  868    HA   GLN 118           HA       GLN 118  25.761   7.926   1.131
  869    HB2  GLN 118           HB2      GLN 118  27.162   5.663   2.621
  870    HB3  GLN 118           HB3      GLN 118  27.140   5.865   0.857
  871    HG2  GLN 118           HG2      GLN 118  28.256   8.032   1.034
  872    HG3  GLN 118           HG3      GLN 118  28.196   7.963   2.791
  873   HE21  GLN 118          HE22      GLN 118  29.606   6.645   3.947
  874   HE22  GLN 118          HE21      GLN 118  30.901   5.675   3.228
  875    H    VAL 119           H        VAL 119  24.669   5.731   3.672
  876    HA   VAL 119           HA       VAL 119  23.044   4.034   1.984
  877    HB   VAL 119           HB       VAL 119  22.950   4.694   4.955
  878   HG11  VAL 119          HG11      VAL 119  21.331   2.597   3.479
  879   HG12  VAL 119          HG12      VAL 119  21.526   2.723   5.246
  880   HG13  VAL 119          HG13      VAL 119  20.698   4.011   4.359
  881   HG21  VAL 119          HG21      VAL 119  23.789   2.145   3.477
  882   HG22  VAL 119          HG22      VAL 119  24.942   3.360   4.043
  883   HG23  VAL 119          HG23      VAL 119  23.956   2.469   5.217
  884    H    LYS 120           H        LYS 120  22.398   7.153   3.716
  885    HA   LYS 120           HA       LYS 120  19.635   7.131   3.228
  886    HB2  LYS 120           HB2      LYS 120  19.548   9.151   4.137
  887    HB3  LYS 120           HB3      LYS 120  21.125   8.677   4.704
  888    HG2  LYS 120           HG2      LYS 120  22.157  10.423   3.785
  889    HG3  LYS 120           HG3      LYS 120  21.411  10.239   2.227
  890    HD2  LYS 120           HD2      LYS 120  20.030  11.447   4.663
  891    HD3  LYS 120           HD3      LYS 120  20.852  12.403   3.437
  892    HE2  LYS 120           HE2      LYS 120  18.697  10.459   2.532
  893    HE3  LYS 120           HE3      LYS 120  18.197  11.936   3.363
  894    HZ1  LYS 120           HZ1      LYS 120  19.903  11.921   0.922
  895    HZ2  LYS 120           HZ2      LYS 120  18.281  12.191   0.951
  896    HZ3  LYS 120           HZ3      LYS 120  19.299  13.242   1.690
  897    H    GLU 121           H        GLU 121  22.253   8.246   1.104
  898    HA   GLU 121           HA       GLU 121  20.462   9.196  -0.932
  899    HB2  GLU 121           HB2      GLU 121  23.341   8.186  -1.149
  900    HB3  GLU 121           HB3      GLU 121  22.462   8.965  -2.461
  901    HG2  GLU 121           HG2      GLU 121  23.227  10.234   0.195
  902    HG3  GLU 121           HG3      GLU 121  23.954  10.543  -1.374
  903    H    ARG 122           H        ARG 122  21.989   5.921  -0.417
  904    HA   ARG 122           HA       ARG 122  20.884   4.857  -2.865
  905    HB2  ARG 122           HB2      ARG 122  21.868   3.545  -0.291
  906    HB3  ARG 122           HB3      ARG 122  21.072   2.651  -1.582
  907    HG2  ARG 122           HG2      ARG 122  23.369   2.381  -1.957
  908    HG3  ARG 122           HG3      ARG 122  22.728   3.433  -3.222
  909    HD2  ARG 122           HD2      ARG 122  23.643   5.404  -1.987
  910    HD3  ARG 122           HD3      ARG 122  24.351   4.274  -0.796
  911    HE   ARG 122           HE       ARG 122  25.246   3.422  -3.293
  912   HH11  ARG 122          HH11      ARG 122  25.519   6.425  -1.404
  913   HH12  ARG 122          HH12      ARG 122  27.032   6.884  -2.107
  914   HH21  ARG 122          HH21      ARG 122  27.277   4.017  -4.192
  915   HH22  ARG 122          HH22      ARG 122  28.068   5.471  -3.703
  916    H    VAL 123           H        VAL 123  19.622   4.887   0.508
  917    HA   VAL 123           HA       VAL 123  17.164   3.652   0.030
  918    HB   VAL 123           HB       VAL 123  17.981   5.892   1.895
  919   HG11  VAL 123          HG11      VAL 123  15.608   6.044   1.755
  920   HG12  VAL 123          HG12      VAL 123  15.438   4.269   1.823
  921   HG13  VAL 123          HG13      VAL 123  16.013   5.186   3.234
  922   HG21  VAL 123          HG21      VAL 123  17.462   2.938   2.497
  923   HG22  VAL 123          HG22      VAL 123  19.088   3.596   2.212
  924   HG23  VAL 123          HG23      VAL 123  18.140   4.160   3.585
  925    H    GLU 124           H        GLU 124  17.925   7.165  -0.204
  926    HA   GLU 124           HA       GLU 124  15.326   7.826  -1.038
  927    HB2  GLU 124           HB2      GLU 124  16.906   9.265   0.009
  928    HB3  GLU 124           HB3      GLU 124  17.943   9.274  -1.457
  929    HG2  GLU 124           HG2      GLU 124  16.058  10.250  -2.724
  930    HG3  GLU 124           HG3      GLU 124  15.057  10.226  -1.246
  931    H    ASN 125           H        ASN 125  18.148   6.822  -2.937
  932    HA   ASN 125           HA       ASN 125  17.049   7.331  -5.515
  933    HB2  ASN 125           HB2      ASN 125  19.201   5.503  -4.464
  934    HB3  ASN 125           HB3      ASN 125  18.562   5.216  -6.071
  935   HD21  ASN 125          HD22      ASN 125  20.134   7.747  -4.068
  936   HD22  ASN 125          HD21      ASN 125  20.817   8.622  -5.430
  937    H    LEU 126           H        LEU 126  16.923   4.398  -3.434
  938    HA   LEU 126           HA       LEU 126  15.321   2.816  -5.199
  939    HB2  LEU 126           HB2      LEU 126  15.988   1.441  -3.646
  940    HB3  LEU 126           HB3      LEU 126  16.182   2.714  -2.421
  941    HG   LEU 126           HG       LEU 126  13.394   1.833  -2.932
  942   HD11  LEU 126          HD11      LEU 126  14.520  -0.312  -3.088
  943   HD12  LEU 126          HD12      LEU 126  15.343   0.040  -1.536
  944   HD13  LEU 126          HD13      LEU 126  13.600  -0.176  -1.587
  945   HD21  LEU 126          HD21      LEU 126  14.035   3.402  -1.077
  946   HD22  LEU 126          HD22      LEU 126  13.209   1.950  -0.505
  947   HD23  LEU 126          HD23      LEU 126  14.973   2.100  -0.339
  948    H    ILE 127           H        ILE 127  14.437   5.091  -2.674
  949    HA   ILE 127           HA       ILE 127  11.587   4.900  -2.901
  950    HB   ILE 127           HB       ILE 127  13.646   6.790  -1.856
  951   HG12  ILE 127          HG12      ILE 127  11.189   5.971  -0.339
  952   HG13  ILE 127          HG13      ILE 127  12.208   4.633  -0.868
  953   HG21  ILE 127          HG21      ILE 127  11.949   8.359  -0.969
  954   HG22  ILE 127          HG22      ILE 127  12.273   8.496  -2.701
  955   HG23  ILE 127          HG23      ILE 127  10.788   7.696  -2.142
  956   HD11  ILE 127          HD11      ILE 127  12.653   5.808   1.429
  957   HD12  ILE 127          HD12      ILE 127  13.964   5.215   0.393
  958   HD13  ILE 127          HD13      ILE 127  13.625   6.956   0.429
  959    H    ALA 128           H        ALA 128  13.964   6.995  -4.664
  960    HA   ALA 128           HA       ALA 128  12.040   8.437  -6.114
  961    HB1  ALA 128           HB1      ALA 128  13.853   9.044  -7.625
  962    HB2  ALA 128           HB2      ALA 128  14.455   9.042  -5.949
  963    HB3  ALA 128           HB3      ALA 128  14.844   7.695  -7.048
  964    H    LYS 129           H        LYS 129  13.249   5.128  -6.697
  965    HA   LYS 129           HA       LYS 129  12.097   4.950  -9.316
  966    HB2  LYS 129           HB2      LYS 129  12.834   2.725  -7.375
  967    HB3  LYS 129           HB3      LYS 129  12.526   2.541  -9.101
  968    HG2  LYS 129           HG2      LYS 129  14.502   3.833  -9.677
  969    HG3  LYS 129           HG3      LYS 129  14.768   4.252  -7.971
  970    HD2  LYS 129           HD2      LYS 129  15.011   1.866  -7.408
  971    HD3  LYS 129           HD3      LYS 129  14.913   1.480  -9.161
  972    HE2  LYS 129           HE2      LYS 129  16.822   3.227  -9.426
  973    HE3  LYS 129           HE3      LYS 129  17.013   3.107  -7.666
  974    HZ1  LYS 129           HZ1      LYS 129  17.476   0.698  -7.976
  975    HZ2  LYS 129           HZ2      LYS 129  17.324   0.867  -9.606
  976    HZ3  LYS 129           HZ3      LYS 129  18.532   1.620  -8.819
  977    H    ILE 130           H        ILE 130  10.999   4.046  -6.019
  978    HA   ILE 130           HA       ILE 130   8.593   2.887  -7.154
  979    HB   ILE 130           HB       ILE 130   8.336   1.993  -4.845
  980   HG12  ILE 130          HG12      ILE 130  10.859   3.383  -4.242
  981   HG13  ILE 130          HG13      ILE 130   9.382   3.284  -3.331
  982   HG21  ILE 130          HG21      ILE 130   9.343   0.841  -6.867
  983   HG22  ILE 130          HG22      ILE 130  10.949   1.223  -6.192
  984   HG23  ILE 130          HG23      ILE 130   9.791   0.176  -5.314
  985   HD11  ILE 130          HD11      ILE 130  11.446   1.075  -3.715
  986   HD12  ILE 130          HD12      ILE 130  11.050   1.937  -2.215
  987   HD13  ILE 130          HD13      ILE 130   9.873   0.815  -2.942
  988    H    SER 131           H        SER 131   9.253   5.534  -4.837
  989    HA   SER 131           HA       SER 131   6.573   5.613  -3.918
  990    HB2  SER 131           HB2      SER 131   8.760   7.718  -3.814
  991    HB3  SER 131           HB3      SER 131   7.255   7.722  -2.871
  992    HG   SER 131           HG       SER 131   8.875   6.750  -1.598
  Start of MODEL    5
    1    H    MET   1           H        MET   1   1.277  -2.267   2.615
    2    HA   MET   1           HA       MET   1   0.813  -1.126  -0.059
    3    HB2  MET   1           HB2      MET   1   0.871   0.421   2.071
    4    HB3  MET   1           HB3      MET   1   2.596   0.082   2.116
    5    HG2  MET   1           HG2      MET   1   2.109   2.182   0.998
    6    HG3  MET   1           HG3      MET   1   2.832   1.060  -0.144
    7    HE1  MET   1           HE1      MET   1   0.280   3.405  -2.185
    8    HE2  MET   1           HE2      MET   1   1.241   3.852  -0.759
    9    HE3  MET   1           HE3      MET   1   1.977   2.896  -2.063
   10    H    LYS   2           H        LYS   2   2.961  -0.889  -1.356
   11    HA   LYS   2           HA       LYS   2   4.180  -3.310  -1.688
   12    HB2  LYS   2           HB2      LYS   2   5.802  -0.779  -2.204
   13    HB3  LYS   2           HB3      LYS   2   5.907  -2.322  -2.990
   14    HG2  LYS   2           HG2      LYS   2   4.804  -1.185  -4.600
   15    HG3  LYS   2           HG3      LYS   2   3.458  -1.889  -3.730
   16    HD2  LYS   2           HD2      LYS   2   2.736   0.348  -4.018
   17    HD3  LYS   2           HD3      LYS   2   3.401   0.411  -2.409
   18    HE2  LYS   2           HE2      LYS   2   4.474   2.275  -3.116
   19    HE3  LYS   2           HE3      LYS   2   5.652   1.133  -3.788
   20    HZ1  LYS   2           HZ1      LYS   2   4.919   2.718  -5.471
   21    HZ2  LYS   2           HZ2      LYS   2   4.414   1.224  -5.920
   22    HZ3  LYS   2           HZ3      LYS   2   3.350   2.305  -5.289
   23    H    LYS   3           H        LYS   3   5.651  -4.552  -0.562
   24    HA   LYS   3           HA       LYS   3   6.738  -3.262   1.894
   25    HB2  LYS   3           HB2      LYS   3   6.635  -6.207   1.378
   26    HB3  LYS   3           HB3      LYS   3   6.745  -5.352   2.919
   27    HG2  LYS   3           HG2      LYS   3   4.387  -4.597   2.644
   28    HG3  LYS   3           HG3      LYS   3   4.312  -5.454   1.093
   29    HD2  LYS   3           HD2      LYS   3   3.216  -6.791   2.714
   30    HD3  LYS   3           HD3      LYS   3   4.714  -7.596   2.253
   31    HE2  LYS   3           HE2      LYS   3   5.796  -6.844   4.345
   32    HE3  LYS   3           HE3      LYS   3   4.334  -5.948   4.795
   33    HZ1  LYS   3           HZ1      LYS   3   3.144  -8.048   4.920
   34    HZ2  LYS   3           HZ2      LYS   3   4.441  -8.899   4.391
   35    HZ3  LYS   3           HZ3      LYS   3   4.477  -8.158   5.859
   36    H    VAL   4           H        VAL   4   8.820  -3.045   2.303
   37    HA   VAL   4           HA       VAL   4  10.729  -4.120   0.322
   38    HB   VAL   4           HB       VAL   4  11.189  -1.750   2.127
   39   HG11  VAL   4          HG11      VAL   4  13.275  -2.654   1.334
   40   HG12  VAL   4          HG12      VAL   4  12.644  -2.928  -0.276
   41   HG13  VAL   4          HG13      VAL   4  12.944  -1.271   0.319
   42   HG21  VAL   4          HG21      VAL   4   9.361  -1.031   0.726
   43   HG22  VAL   4          HG22      VAL   4  10.824  -0.331   0.026
   44   HG23  VAL   4          HG23      VAL   4  10.068  -1.763  -0.714
   45    H    MET   5           H        MET   5  12.856  -4.798   1.215
   46    HA   MET   5           HA       MET   5  12.835  -5.468   4.098
   47    HB2  MET   5           HB2      MET   5  12.058  -7.428   2.805
   48    HB3  MET   5           HB3      MET   5  13.494  -7.286   1.764
   49    HG2  MET   5           HG2      MET   5  13.772  -9.053   3.445
   50    HG3  MET   5           HG3      MET   5  14.970  -7.773   3.616
   51    HE1  MET   5           HE1      MET   5  12.133  -9.821   5.193
   52    HE2  MET   5           HE2      MET   5  11.556  -8.817   6.538
   53    HE3  MET   5           HE3      MET   5  11.204  -8.343   4.861
   54    H    PHE   6           H        PHE   6  14.837  -5.030   4.958
   55    HA   PHE   6           HA       PHE   6  17.061  -4.437   3.077
   56    HB2  PHE   6           HB2      PHE   6  16.410  -3.166   5.749
   57    HB3  PHE   6           HB3      PHE   6  17.903  -2.902   4.844
   58    HD1  PHE   6           HD1      PHE   6  17.915  -1.559   2.781
   59    HD2  PHE   6           HD2      PHE   6  14.242  -2.426   4.849
   60    HE1  PHE   6           HE1      PHE   6  16.705   0.046   1.327
   61    HE2  PHE   6           HE2      PHE   6  13.020  -0.984   3.310
   62    HZ   PHE   6           HZ       PHE   6  14.253   0.370   1.593
   63    H    VAL   7           H        VAL   7  18.648  -6.035   3.284
   64    HA   VAL   7           HA       VAL   7  18.381  -7.906   5.588
   65    HB   VAL   7           HB       VAL   7  19.971  -8.339   3.048
   66   HG11  VAL   7          HG11      VAL   7  18.683 -10.325   4.937
   67   HG12  VAL   7          HG12      VAL   7  19.626 -10.680   3.479
   68   HG13  VAL   7          HG13      VAL   7  20.412  -9.920   4.864
   69   HG21  VAL   7          HG21      VAL   7  17.609  -7.818   2.313
   70   HG22  VAL   7          HG22      VAL   7  17.972  -9.536   2.131
   71   HG23  VAL   7          HG23      VAL   7  17.013  -8.970   3.523
   72    H    CYS   8           H        CYS   8  19.978  -8.080   7.122
   73    HA   CYS   8           HA       CYS   8  22.261  -6.238   6.824
   74    HB2  CYS   8           HB2      CYS   8  20.716  -5.540   8.487
   75    HB3  CYS   8           HB3      CYS   8  20.586  -7.153   9.173
   76    HG   CYS   8           HG       CYS   8  23.151  -5.040   9.260
   77    H    LYS   9           H        LYS   9  24.195  -6.714   6.970
   78    HA   LYS   9           HA       LYS   9  25.295  -8.985   8.402
   79    HB2  LYS   9           HB2      LYS   9  25.873  -8.381   5.458
   80    HB3  LYS   9           HB3      LYS   9  26.999  -9.263   6.473
   81    HG2  LYS   9           HG2      LYS   9  24.156 -10.121   5.780
   82    HG3  LYS   9           HG3      LYS   9  25.631 -10.766   5.081
   83    HD2  LYS   9           HD2      LYS   9  24.759 -11.066   7.990
   84    HD3  LYS   9           HD3      LYS   9  24.676 -12.297   6.738
   85    HE2  LYS   9           HE2      LYS   9  27.118 -12.350   6.521
   86    HE3  LYS   9           HE3      LYS   9  27.291 -11.030   7.686
   87    HZ1  LYS   9           HZ1      LYS   9  27.666 -13.183   8.708
   88    HZ2  LYS   9           HZ2      LYS   9  26.398 -12.422   9.408
   89    HZ3  LYS   9           HZ3      LYS   9  26.150 -13.681   8.360
   90    H    ARG  10           H        ARG  10  27.365  -8.317   9.215
   91    HA   ARG  10           HA       ARG  10  28.659  -6.786  10.280
   92    HB2  ARG  10           HB2      ARG  10  28.514  -5.375   7.582
   93    HB3  ARG  10           HB3      ARG  10  29.389  -4.675   8.925
   94    HG2  ARG  10           HG2      ARG  10  29.947  -7.475   7.877
   95    HG3  ARG  10           HG3      ARG  10  30.757  -6.012   7.290
   96    HD2  ARG  10           HD2      ARG  10  31.604  -5.530   9.541
   97    HD3  ARG  10           HD3      ARG  10  30.820  -6.981  10.184
   98    HE   ARG  10           HE       ARG  10  32.471  -7.691   7.981
   99   HH11  ARG  10          HH11      ARG  10  32.846  -6.619  11.403
  100   HH12  ARG  10          HH12      ARG  10  34.393  -7.360  11.559
  101   HH21  ARG  10          HH21      ARG  10  34.526  -8.647   8.259
  102   HH22  ARG  10          HH22      ARG  10  35.365  -8.527   9.760
  103    H    ASN  11           H        ASN  11  28.590  -4.042  10.579
  104    HA   ASN  11           HA       ASN  11  26.788  -4.198  12.662
  105    HB2  ASN  11           HB2      ASN  11  28.782  -2.723  12.514
  106    HB3  ASN  11           HB3      ASN  11  27.854  -1.586  11.542
  107   HD21  ASN  11          HD22      ASN  11  28.864  -2.331  14.671
  108   HD22  ASN  11          HD21      ASN  11  27.670  -1.411  15.565
  109    H    SER  12           H        SER  12  24.651  -3.909  12.944
  110    HA   SER  12           HA       SER  12  22.625  -3.391  11.331
  111    HB2  SER  12           HB2      SER  12  23.092  -2.106  14.042
  112    HB3  SER  12           HB3      SER  12  21.517  -2.485  13.318
  113    HG   SER  12           HG       SER  12  22.416  -4.124  14.818
  114    H    CYS  13           H        CYS  13  24.809  -0.725  12.369
  115    HA   CYS  13           HA       CYS  13  23.159   1.430  11.602
  116    HB2  CYS  13           HB2      CYS  13  25.216   2.783  11.760
  117    HB3  CYS  13           HB3      CYS  13  25.176   1.600  13.089
  118    HG   CYS  13           HG       CYS  13  27.618   1.724  12.325
  119    H    ARG  14           H        ARG  14  24.653  -0.765   9.400
  120    HA   ARG  14           HA       ARG  14  24.385   1.320   7.241
  121    HB2  ARG  14           HB2      ARG  14  25.661  -0.040   5.762
  122    HB3  ARG  14           HB3      ARG  14  26.523   0.165   7.283
  123    HG2  ARG  14           HG2      ARG  14  25.738  -2.161   7.928
  124    HG3  ARG  14           HG3      ARG  14  25.134  -2.360   6.290
  125    HD2  ARG  14           HD2      ARG  14  28.048  -1.601   6.749
  126    HD3  ARG  14           HD3      ARG  14  27.522  -3.257   7.013
  127    HE   ARG  14           HE       ARG  14  27.964  -1.880   4.541
  128   HH11  ARG  14          HH11      ARG  14  26.306  -4.778   5.981
  129   HH12  ARG  14          HH12      ARG  14  26.094  -5.504   4.420
  130   HH21  ARG  14          HH21      ARG  14  27.960  -3.150   2.632
  131   HH22  ARG  14          HH22      ARG  14  26.995  -4.615   2.548
  132    H    SER  15           H        SER  15  23.251  -2.049   7.974
  133    HA   SER  15           HA       SER  15  21.397  -1.812   5.693
  134    HB2  SER  15           HB2      SER  15  21.097  -4.305   6.509
  135    HB3  SER  15           HB3      SER  15  22.558  -3.800   5.641
  136    HG   SER  15           HG       SER  15  23.733  -4.222   7.377
  137    H    GLN  16           H        GLN  16  21.021  -2.628   9.256
  138    HA   GLN  16           HA       GLN  16  18.135  -2.395   8.847
  139    HB2  GLN  16           HB2      GLN  16  19.558  -2.376  11.507
  140    HB3  GLN  16           HB3      GLN  16  17.827  -2.574  11.123
  141    HG2  GLN  16           HG2      GLN  16  19.072  -4.573   9.608
  142    HG3  GLN  16           HG3      GLN  16  19.975  -4.586  11.104
  143   HE21  GLN  16          HE22      GLN  16  17.113  -3.723  12.443
  144   HE22  GLN  16          HE21      GLN  16  16.377  -5.316  12.599
  145    H    MET  17           H        MET  17  20.731  -0.096   9.491
  146    HA   MET  17           HA       MET  17  19.087   2.189  10.045
  147    HB2  MET  17           HB2      MET  17  21.521   2.368  10.119
  148    HB3  MET  17           HB3      MET  17  21.593   1.802   8.411
  149    HG2  MET  17           HG2      MET  17  22.097   4.089   8.414
  150    HG3  MET  17           HG3      MET  17  20.583   3.863   7.591
  151    HE1  MET  17           HE1      MET  17  18.221   5.886  10.357
  152    HE2  MET  17           HE2      MET  17  18.130   5.344   8.680
  153    HE3  MET  17           HE3      MET  17  18.220   4.137  10.001
  154    H    ALA  18           H        ALA  18  20.005   0.592   6.927
  155    HA   ALA  18           HA       ALA  18  18.752   2.491   5.324
  156    HB1  ALA  18           HB1      ALA  18  18.798  -0.500   4.751
  157    HB2  ALA  18           HB2      ALA  18  18.921   0.835   3.588
  158    HB3  ALA  18           HB3      ALA  18  20.260   0.511   4.737
  159    H    GLU  19           H        GLU  19  17.287  -0.335   7.009
  160    HA   GLU  19           HA       GLU  19  14.618   0.230   6.133
  161    HB2  GLU  19           HB2      GLU  19  15.313  -1.807   7.429
  162    HB3  GLU  19           HB3      GLU  19  15.408  -0.802   8.873
  163    HG2  GLU  19           HG2      GLU  19  12.864  -0.196   8.003
  164    HG3  GLU  19           HG3      GLU  19  13.034  -1.839   7.426
  165    H    GLY  20           H        GLY  20  16.575   1.811   8.760
  166    HA2  GLY  20           HA2      GLY  20  14.320   3.139   9.946
  167    HA3  GLY  20           HA3      GLY  20  16.031   3.552  10.145
  168    H    PHE  21           H        PHE  21  16.737   4.097   7.458
  169    HA   PHE  21           HA       PHE  21  15.569   6.753   7.060
  170    HB2  PHE  21           HB2      PHE  21  17.478   5.000   5.496
  171    HB3  PHE  21           HB3      PHE  21  16.770   6.444   4.764
  172    HD1  PHE  21           HD1      PHE  21  16.859   8.635   6.402
  173    HD2  PHE  21           HD2      PHE  21  19.687   5.375   6.282
  174    HE1  PHE  21           HE1      PHE  21  18.620  10.111   7.313
  175    HE2  PHE  21           HE2      PHE  21  21.421   6.843   7.113
  176    HZ   PHE  21           HZ       PHE  21  20.907   9.233   7.694
  177    H    ALA  22           H        ALA  22  15.057   3.475   5.601
  178    HA   ALA  22           HA       ALA  22  13.407   4.567   3.536
  179    HB1  ALA  22           HB1      ALA  22  12.796   2.199   3.125
  180    HB2  ALA  22           HB2      ALA  22  14.554   2.439   3.289
  181    HB3  ALA  22           HB3      ALA  22  13.646   1.752   4.635
  182    H    LYS  23           H        LYS  23  12.543   3.181   6.754
  183    HA   LYS  23           HA       LYS  23   9.738   3.543   6.278
  184    HB2  LYS  23           HB2      LYS  23   9.413   2.735   8.445
  185    HB3  LYS  23           HB3      LYS  23  10.884   1.934   7.880
  186    HG2  LYS  23           HG2      LYS  23  12.122   3.898   9.086
  187    HG3  LYS  23           HG3      LYS  23  10.597   4.139   9.935
  188    HD2  LYS  23           HD2      LYS  23  12.335   1.638   9.870
  189    HD3  LYS  23           HD3      LYS  23  12.121   2.742  11.236
  190    HE2  LYS  23           HE2      LYS  23   9.716   2.096  11.389
  191    HE3  LYS  23           HE3      LYS  23   9.927   0.985  10.028
  192    HZ1  LYS  23           HZ1      LYS  23  11.621  -0.201  11.391
  193    HZ2  LYS  23           HZ2      LYS  23  11.232   0.749  12.683
  194    HZ3  LYS  23           HZ3      LYS  23  10.106  -0.252  12.051
  195    H    THR  24           H        THR  24  12.188   5.752   7.009
  196    HA   THR  24           HA       THR  24  10.490   7.827   8.194
  197    HB   THR  24           HB       THR  24  13.373   7.339   7.450
  198    HG1  THR  24           HG1      THR  24  13.043   6.763   9.430
  199   HG21  THR  24          HG21      THR  24  13.167   9.538   6.595
  200   HG22  THR  24          HG22      THR  24  12.396  10.108   8.108
  201   HG23  THR  24          HG23      THR  24  14.089   9.528   8.103
  202    H    LEU  25           H        LEU  25  12.298   7.229   5.166
  203    HA   LEU  25           HA       LEU  25  11.323   9.651   3.962
  204    HB2  LEU  25           HB2      LEU  25  13.153   7.425   3.124
  205    HB3  LEU  25           HB3      LEU  25  12.748   8.760   2.026
  206    HG   LEU  25           HG       LEU  25  14.119   8.993   4.709
  207   HD11  LEU  25          HD11      LEU  25  16.115   9.590   3.341
  208   HD12  LEU  25          HD12      LEU  25  15.539   7.968   2.955
  209   HD13  LEU  25          HD13      LEU  25  15.167   9.329   1.853
  210   HD21  LEU  25          HD21      LEU  25  12.886  11.070   4.291
  211   HD22  LEU  25          HD22      LEU  25  14.596  11.358   4.014
  212   HD23  LEU  25          HD23      LEU  25  13.512  11.140   2.625
  213    H    GLY  26           H        GLY  26  10.547   6.231   3.718
  214    HA2  GLY  26           HA2      GLY  26   8.881   6.533   1.280
  215    HA3  GLY  26           HA3      GLY  26   9.429   5.038   2.085
  216    H    ALA  27           H        ALA  27   8.202   7.442   4.214
  217    HA   ALA  27           HA       ALA  27   6.312   5.630   5.290
  218    HB1  ALA  27           HB1      ALA  27   5.828   7.498   6.832
  219    HB2  ALA  27           HB2      ALA  27   7.586   7.348   6.586
  220    HB3  ALA  27           HB3      ALA  27   6.682   8.632   5.761
  221    H    GLY  28           H        GLY  28   4.243   5.287   4.696
  222    HA2  GLY  28           HA2      GLY  28   2.125   5.682   3.881
  223    HA3  GLY  28           HA3      GLY  28   2.576   7.360   3.512
  224    H    LYS  29           H        LYS  29   4.853   5.236   2.111
  225    HA   LYS  29           HA       LYS  29   3.505   5.282  -0.510
  226    HB2  LYS  29           HB2      LYS  29   6.389   5.776   0.292
  227    HB3  LYS  29           HB3      LYS  29   5.843   5.570  -1.361
  228    HG2  LYS  29           HG2      LYS  29   4.771   7.715   0.521
  229    HG3  LYS  29           HG3      LYS  29   6.143   7.968  -0.557
  230    HD2  LYS  29           HD2      LYS  29   4.515   7.106  -2.442
  231    HD3  LYS  29           HD3      LYS  29   3.224   7.488  -1.298
  232    HE2  LYS  29           HE2      LYS  29   3.770   9.819  -1.301
  233    HE3  LYS  29           HE3      LYS  29   5.361   9.531  -2.012
  234    HZ1  LYS  29           HZ1      LYS  29   2.796   9.161  -3.440
  235    HZ2  LYS  29           HZ2      LYS  29   3.875  10.363  -3.685
  236    HZ3  LYS  29           HZ3      LYS  29   4.282   8.813  -4.060
  237    H    ILE  30           H        ILE  30   5.913   3.721   1.667
  238    HA   ILE  30           HA       ILE  30   5.213   1.102   0.545
  239    HB   ILE  30           HB       ILE  30   7.665   0.543   0.368
  240   HG12  ILE  30          HG12      ILE  30   9.139   2.471  -0.446
  241   HG13  ILE  30          HG13      ILE  30   8.067   3.582   0.382
  242   HG21  ILE  30          HG21      ILE  30   6.885   2.676  -1.646
  243   HG22  ILE  30          HG22      ILE  30   7.660   1.096  -1.896
  244   HG23  ILE  30          HG23      ILE  30   5.960   1.175  -1.471
  245   HD11  ILE  30          HD11      ILE  30   8.694   2.594   2.535
  246   HD12  ILE  30          HD12      ILE  30   9.599   1.305   1.699
  247   HD13  ILE  30          HD13      ILE  30  10.168   2.978   1.610
  248    H    ALA  31           H        ALA  31   5.877  -0.614   1.854
  249    HA   ALA  31           HA       ALA  31   5.876   0.026   4.777
  250    HB1  ALA  31           HB1      ALA  31   4.071  -1.481   4.114
  251    HB2  ALA  31           HB2      ALA  31   5.215  -2.530   3.256
  252    HB3  ALA  31           HB3      ALA  31   5.292  -2.397   5.021
  253    H    VAL  32           H        VAL  32   7.601  -1.035   6.030
  254    HA   VAL  32           HA       VAL  32   9.950  -1.788   4.411
  255    HB   VAL  32           HB       VAL  32  10.038   0.191   6.687
  256   HG11  VAL  32          HG11      VAL  32  12.102   0.822   5.961
  257   HG12  VAL  32          HG12      VAL  32  12.144  -0.902   5.566
  258   HG13  VAL  32          HG13      VAL  32  11.788   0.303   4.295
  259   HG21  VAL  32          HG21      VAL  32  10.147   2.016   4.822
  260   HG22  VAL  32          HG22      VAL  32   9.397   0.805   3.807
  261   HG23  VAL  32          HG23      VAL  32   8.547   1.401   5.251
  262    H    THR  33           H        THR  33  11.323  -3.272   5.349
  263    HA   THR  33           HA       THR  33  10.857  -4.191   8.127
  264    HB   THR  33           HB       THR  33  11.073  -6.246   6.002
  265    HG1  THR  33           HG1      THR  33   9.565  -5.043   4.969
  266   HG21  THR  33          HG21      THR  33  10.797  -6.902   8.360
  267   HG22  THR  33          HG22      THR  33   9.269  -5.991   8.440
  268   HG23  THR  33          HG23      THR  33   9.411  -7.425   7.402
  269    H    SER  34           H        SER  34  12.706  -5.619   8.879
  270    HA   SER  34           HA       SER  34  15.047  -5.692   7.107
  271    HB2  SER  34           HB2      SER  34  14.922  -3.556   8.575
  272    HB3  SER  34           HB3      SER  34  15.282  -4.624   9.926
  273    HG   SER  34           HG       SER  34  16.895  -4.605   7.557
  274    H    CYS  35           H        CYS  35  16.720  -7.171   7.886
  275    HA   CYS  35           HA       CYS  35  16.083  -8.901  10.145
  276    HB2  CYS  35           HB2      CYS  35  16.334 -10.986   8.714
  277    HB3  CYS  35           HB3      CYS  35  14.854 -10.075   8.401
  278    HG   CYS  35           HG       CYS  35  15.582  -8.881   6.279
  279    H    GLY  36           H        GLY  36  17.862 -10.175  10.781
  280    HA2  GLY  36           HA2      GLY  36  20.259 -10.671  10.679
  281    HA3  GLY  36           HA3      GLY  36  20.516  -9.150   9.822
  282    H    LEU  37           H        LEU  37  21.295  -7.547  11.226
  283    HA   LEU  37           HA       LEU  37  21.331  -6.032  12.862
  284    HB2  LEU  37           HB2      LEU  37  18.824  -6.616  13.424
  285    HB3  LEU  37           HB3      LEU  37  19.528  -7.659  14.646
  286    HG   LEU  37           HG       LEU  37  20.923  -5.614  15.369
  287   HD11  LEU  37          HD11      LEU  37  20.110  -4.178  13.392
  288   HD12  LEU  37          HD12      LEU  37  18.556  -4.070  14.232
  289   HD13  LEU  37          HD13      LEU  37  20.001  -3.427  15.006
  290   HD21  LEU  37          HD21      LEU  37  19.051  -6.622  16.719
  291   HD22  LEU  37          HD22      LEU  37  19.267  -4.886  16.946
  292   HD23  LEU  37          HD23      LEU  37  17.939  -5.461  15.944
  293    H    GLU  38           H        GLU  38  23.433  -7.224  12.361
  294    HA   GLU  38           HA       GLU  38  24.033  -9.510  13.957
  295    HB2  GLU  38           HB2      GLU  38  25.890  -7.671  12.420
  296    HB3  GLU  38           HB3      GLU  38  26.319  -9.251  13.082
  297    HG2  GLU  38           HG2      GLU  38  24.093  -9.952  11.640
  298    HG3  GLU  38           HG3      GLU  38  24.672  -8.611  10.668
  299    H    SER  39           H        SER  39  24.103  -6.184  14.613
  300    HA   SER  39           HA       SER  39  26.217  -6.274  16.620
  301    HB2  SER  39           HB2      SER  39  24.260  -4.083  15.891
  302    HB3  SER  39           HB3      SER  39  25.805  -3.903  16.767
  303    HG   SER  39           HG       SER  39  26.857  -4.661  14.903
  304    H    SER  40           H        SER  40  24.166  -8.112  17.178
  305    HA   SER  40           HA       SER  40  23.064  -9.003  18.934
  306    HB2  SER  40           HB2      SER  40  23.926  -6.632  20.630
  307    HB3  SER  40           HB3      SER  40  23.454  -8.242  21.180
  308    HG   SER  40           HG       SER  40  25.334  -9.097  20.239
  309    H    ARG  41           H        ARG  41  21.346  -7.935  20.913
  310    HA   ARG  41           HA       ARG  41  19.067  -7.776  19.287
  311    HB2  ARG  41           HB2      ARG  41  19.558  -7.314  22.243
  312    HB3  ARG  41           HB3      ARG  41  17.997  -6.892  21.566
  313    HG2  ARG  41           HG2      ARG  41  17.791  -9.083  22.460
  314    HG3  ARG  41           HG3      ARG  41  17.696  -9.184  20.706
  315    HD2  ARG  41           HD2      ARG  41  19.012 -11.020  21.543
  316    HD3  ARG  41           HD3      ARG  41  20.067  -9.926  20.637
  317    HE   ARG  41           HE       ARG  41  20.059  -9.257  23.435
  318   HH11  ARG  41          HH11      ARG  41  21.284 -11.815  21.292
  319   HH12  ARG  41          HH12      ARG  41  22.623 -12.216  22.303
  320   HH21  ARG  41          HH21      ARG  41  21.857  -9.767  24.772
  321   HH22  ARG  41          HH22      ARG  41  22.942 -11.034  24.337
  322    H    VAL  42           H        VAL  42  21.044  -5.107  20.364
  323    HA   VAL  42           HA       VAL  42  20.119  -3.436  18.378
  324    HB   VAL  42           HB       VAL  42  18.385  -3.284  20.638
  325   HG11  VAL  42          HG11      VAL  42  18.447  -1.025  21.413
  326   HG12  VAL  42          HG12      VAL  42  19.979  -1.810  21.827
  327   HG13  VAL  42          HG13      VAL  42  19.905  -0.658  20.473
  328   HG21  VAL  42          HG21      VAL  42  17.824  -2.918  18.263
  329   HG22  VAL  42          HG22      VAL  42  17.241  -1.622  19.297
  330   HG23  VAL  42          HG23      VAL  42  18.686  -1.360  18.294
  331    H    HIS  43           H        HIS  43  21.333  -1.341  18.406
  332    HA   HIS  43           HA       HIS  43  23.894  -1.737  19.871
  333    HB2  HIS  43           HB2      HIS  43  23.853  -2.740  17.629
  334    HB3  HIS  43           HB3      HIS  43  23.496  -1.176  16.912
  335    HD1  HIS  43           HD1      HIS  43  26.315  -2.623  19.244
  336    HD2  HIS  43           HD2      HIS  43  25.609   0.180  16.181
  337    HE1  HIS  43           HE1      HIS  43  28.557  -1.540  18.715
  338    HA   PRO  44           HA       PRO  44  22.444   2.387  20.775
  339    HB2  PRO  44           HB2      PRO  44  24.354   3.257  22.519
  340    HB3  PRO  44           HB3      PRO  44  23.215   1.941  22.955
  341    HG2  PRO  44           HG2      PRO  44  25.999   1.659  21.743
  342    HG3  PRO  44           HG3      PRO  44  25.400   0.915  23.282
  343    HD2  PRO  44           HD2      PRO  44  25.325  -0.503  20.993
  344    HD3  PRO  44           HD3      PRO  44  23.886  -0.523  22.073
  345    H    THR  45           H        THR  45  25.847   1.838  19.606
  346    HA   THR  45           HA       THR  45  26.291   4.540  19.059
  347    HB   THR  45           HB       THR  45  27.464   2.191  17.514
  348    HG1  THR  45           HG1      THR  45  28.928   2.038  19.171
  349   HG21  THR  45          HG21      THR  45  29.459   3.748  17.374
  350   HG22  THR  45          HG22      THR  45  28.051   4.320  16.479
  351   HG23  THR  45          HG23      THR  45  28.432   5.038  18.056
  352    H    ALA  46           H        ALA  46  24.541   2.007  17.203
  353    HA   ALA  46           HA       ALA  46  24.342   3.614  14.793
  354    HB1  ALA  46           HB1      ALA  46  22.390   1.412  15.607
  355    HB2  ALA  46           HB2      ALA  46  22.807   1.983  13.967
  356    HB3  ALA  46           HB3      ALA  46  23.977   1.053  14.910
  357    H    ILE  47           H        ILE  47  22.331   3.067  17.709
  358    HA   ILE  47           HA       ILE  47  20.133   4.658  16.889
  359    HB   ILE  47           HB       ILE  47  21.178   3.884  19.569
  360   HG12  ILE  47          HG12      ILE  47  18.943   2.883  19.790
  361   HG13  ILE  47          HG13      ILE  47  18.595   3.324  18.096
  362   HG21  ILE  47          HG21      ILE  47  19.168   4.912  20.656
  363   HG22  ILE  47          HG22      ILE  47  20.278   6.124  20.042
  364   HG23  ILE  47          HG23      ILE  47  18.802   5.738  19.131
  365   HD11  ILE  47          HD11      ILE  47  19.122   0.987  18.400
  366   HD12  ILE  47          HD12      ILE  47  20.407   1.745  17.425
  367   HD13  ILE  47          HD13      ILE  47  20.658   1.387  19.168
  368    H    ALA  48           H        ALA  48  23.073   5.636  18.769
  369    HA   ALA  48           HA       ALA  48  22.354   8.354  18.971
  370    HB1  ALA  48           HB1      ALA  48  24.163   7.363  20.284
  371    HB2  ALA  48           HB2      ALA  48  25.143   7.135  18.810
  372    HB3  ALA  48           HB3      ALA  48  24.727   8.782  19.368
  373    H    MET  49           H        MET  49  24.274   6.689  16.463
  374    HA   MET  49           HA       MET  49  24.831   8.960  14.859
  375    HB2  MET  49           HB2      MET  49  24.474   6.019  14.199
  376    HB3  MET  49           HB3      MET  49  24.952   7.203  12.984
  377    HG2  MET  49           HG2      MET  49  26.508   6.909  15.580
  378    HG3  MET  49           HG3      MET  49  26.789   5.878  14.198
  379    HE1  MET  49           HE1      MET  49  26.755   9.685  15.421
  380    HE2  MET  49           HE2      MET  49  28.035   8.625  16.036
  381    HE3  MET  49           HE3      MET  49  28.441   9.973  14.941
  382    H    MET  50           H        MET  50  21.814   7.129  15.215
  383    HA   MET  50           HA       MET  50  20.778   8.465  12.798
  384    HB2  MET  50           HB2      MET  50  19.462   6.413  14.583
  385    HB3  MET  50           HB3      MET  50  18.879   7.002  13.023
  386    HG2  MET  50           HG2      MET  50  20.856   4.983  13.618
  387    HG3  MET  50           HG3      MET  50  19.891   5.192  12.208
  388    HE1  MET  50           HE1      MET  50  22.370   3.931  11.362
  389    HE2  MET  50           HE2      MET  50  23.920   4.823  11.312
  390    HE3  MET  50           HE3      MET  50  23.204   4.304  12.876
  391    H    GLU  51           H        GLU  51  20.616   8.656  16.294
  392    HA   GLU  51           HA       GLU  51  18.505  10.548  16.454
  393    HB2  GLU  51           HB2      GLU  51  19.444   9.167  18.341
  394    HB3  GLU  51           HB3      GLU  51  20.934  10.103  18.281
  395    HG2  GLU  51           HG2      GLU  51  19.688  12.166  18.860
  396    HG3  GLU  51           HG3      GLU  51  18.168  11.268  18.837
  397    H    GLU  52           H        GLU  52  21.947  10.814  15.660
  398    HA   GLU  52           HA       GLU  52  22.225  13.619  15.683
  399    HB2  GLU  52           HB2      GLU  52  23.386  11.624  13.704
  400    HB3  GLU  52           HB3      GLU  52  23.860  13.306  13.836
  401    HG2  GLU  52           HG2      GLU  52  24.465  12.713  16.316
  402    HG3  GLU  52           HG3      GLU  52  24.514  11.049  15.714
  403    H    VAL  53           H        VAL  53  20.264  11.626  13.546
  404    HA   VAL  53           HA       VAL  53  19.701  13.949  11.795
  405    HB   VAL  53           HB       VAL  53  19.379  12.240  10.007
  406   HG11  VAL  53          HG11      VAL  53  21.751  12.059   9.436
  407   HG12  VAL  53          HG12      VAL  53  21.411  13.647  10.136
  408   HG13  VAL  53          HG13      VAL  53  22.211  12.397  11.117
  409   HG21  VAL  53          HG21      VAL  53  19.226  10.164  11.361
  410   HG22  VAL  53          HG22      VAL  53  20.455  10.071  10.097
  411   HG23  VAL  53          HG23      VAL  53  20.958  10.348  11.771
  412    H    GLY  54           H        GLY  54  18.401  12.533  14.318
  413    HA2  GLY  54           HA2      GLY  54  16.273  12.520  15.130
  414    HA3  GLY  54           HA3      GLY  54  15.760  13.372  13.669
  415    H    ILE  55           H        ILE  55  17.193  10.068  13.988
  416    HA   ILE  55           HA       ILE  55  14.667   8.876  13.041
  417    HB   ILE  55           HB       ILE  55  17.408   8.169  11.993
  418   HG12  ILE  55          HG12      ILE  55  14.954   9.539  10.815
  419   HG13  ILE  55          HG13      ILE  55  16.579  10.212  11.029
  420   HG21  ILE  55          HG21      ILE  55  16.139   6.527  10.567
  421   HG22  ILE  55          HG22      ILE  55  16.087   6.106  12.250
  422   HG23  ILE  55          HG23      ILE  55  14.674   6.887  11.481
  423   HD11  ILE  55          HD11      ILE  55  15.699   8.089   9.111
  424   HD12  ILE  55          HD12      ILE  55  16.390   9.689   8.758
  425   HD13  ILE  55          HD13      ILE  55  17.421   8.419   9.476
  426    H    ASP  56           H        ASP  56  14.405   6.655  13.789
  427    HA   ASP  56           HA       ASP  56  15.905   6.007  16.307
  428    HB2  ASP  56           HB2      ASP  56  13.773   6.775  17.022
  429    HB3  ASP  56           HB3      ASP  56  12.934   5.940  15.709
  430    H    ILE  57           H        ILE  57  16.887   4.099  16.173
  431    HA   ILE  57           HA       ILE  57  15.558   1.837  14.815
  432    HB   ILE  57           HB       ILE  57  17.724   1.010  14.016
  433   HG12  ILE  57          HG12      ILE  57  18.830   3.806  14.511
  434   HG13  ILE  57          HG13      ILE  57  19.296   2.340  15.384
  435   HG21  ILE  57          HG21      ILE  57  17.168   3.694  12.704
  436   HG22  ILE  57          HG22      ILE  57  17.601   2.141  11.944
  437   HG23  ILE  57          HG23      ILE  57  15.993   2.345  12.623
  438   HD11  ILE  57          HD11      ILE  57  20.096   1.343  13.241
  439   HD12  ILE  57          HD12      ILE  57  19.691   2.868  12.402
  440   HD13  ILE  57          HD13      ILE  57  20.903   2.865  13.674
  441    H    SER  58           H        SER  58  15.960   2.961  17.676
  442    HA   SER  58           HA       SER  58  17.058   0.669  19.041
  443    HB2  SER  58           HB2      SER  58  15.395   2.271  20.716
  444    HB3  SER  58           HB3      SER  58  17.160   2.084  20.690
  445    HG   SER  58           HG       SER  58  15.630   3.960  19.150
  446    H    GLY  59           H        GLY  59  13.886   1.702  17.813
  447    HA2  GLY  59           HA2      GLY  59  12.343  -0.219  19.306
  448    HA3  GLY  59           HA3      GLY  59  11.856   0.636  17.837
  449    H    GLN  60           H        GLN  60  14.613  -0.659  16.772
  450    HA   GLN  60           HA       GLN  60  13.369  -2.868  15.386
  451    HB2  GLN  60           HB2      GLN  60  16.225  -1.780  15.499
  452    HB3  GLN  60           HB3      GLN  60  15.695  -3.098  14.439
  453    HG2  GLN  60           HG2      GLN  60  14.010  -1.522  13.463
  454    HG3  GLN  60           HG3      GLN  60  14.777  -0.209  14.398
  455   HE21  GLN  60          HE22      GLN  60  14.604  -0.615  11.381
  456   HE22  GLN  60          HE21      GLN  60  16.289  -0.486  10.884
  457    H    THR  61           H        THR  61  14.384  -4.994  15.372
  458    HA   THR  61           HA       THR  61  16.193  -5.709  17.492
  459    HB   THR  61           HB       THR  61  14.670  -7.809  17.986
  460    HG1  THR  61           HG1      THR  61  12.469  -7.413  17.798
  461   HG21  THR  61          HG21      THR  61  13.777  -5.164  19.161
  462   HG22  THR  61          HG22      THR  61  13.807  -6.765  19.934
  463   HG23  THR  61          HG23      THR  61  15.330  -5.941  19.554
  464    H    SER  62           H        SER  62  16.867  -8.128  17.244
  465    HA   SER  62           HA       SER  62  17.602  -8.629  14.512
  466    HB2  SER  62           HB2      SER  62  18.268 -10.885  15.887
  467    HB3  SER  62           HB3      SER  62  19.268  -9.436  15.868
  468    HG   SER  62           HG       SER  62  18.789 -10.348  18.007
  469    H    ASP  63           H        ASP  63  16.868 -10.262  13.158
  470    HA   ASP  63           HA       ASP  63  15.010 -12.254  14.065
  471    HB2  ASP  63           HB2      ASP  63  13.572 -10.133  13.661
  472    HB3  ASP  63           HB3      ASP  63  13.924 -10.359  11.959
  473    HA   PRO  64           HA       PRO  64  17.725 -13.807  10.882
  474    HB2  PRO  64           HB2      PRO  64  15.927 -16.225  10.714
  475    HB3  PRO  64           HB3      PRO  64  17.697 -16.147  10.973
  476    HG2  PRO  64           HG2      PRO  64  15.996 -16.650  13.031
  477    HG3  PRO  64           HG3      PRO  64  17.414 -15.573  13.254
  478    HD2  PRO  64           HD2      PRO  64  14.527 -14.811  12.788
  479    HD3  PRO  64           HD3      PRO  64  15.715 -14.156  13.963
  480    H    ILE  65           H        ILE  65  17.946 -14.158   8.617
  481    HA   ILE  65           HA       ILE  65  15.948 -13.119   6.888
  482    HB   ILE  65           HB       ILE  65  18.318 -12.971   6.374
  483   HG12  ILE  65          HG12      ILE  65  16.804 -14.628   4.280
  484   HG13  ILE  65          HG13      ILE  65  16.786 -12.875   4.514
  485   HG21  ILE  65          HG21      ILE  65  19.759 -14.809   5.787
  486   HG22  ILE  65          HG22      ILE  65  19.057 -15.208   7.346
  487   HG23  ILE  65          HG23      ILE  65  18.429 -15.973   5.866
  488   HD11  ILE  65          HD11      ILE  65  18.196 -13.333   2.656
  489   HD12  ILE  65          HD12      ILE  65  19.282 -12.884   3.990
  490   HD13  ILE  65          HD13      ILE  65  19.096 -14.582   3.522
  491    H    GLU  66           H        GLU  66  16.867 -16.446   7.702
  492    HA   GLU  66           HA       GLU  66  15.219 -17.654   5.737
  493    HB2  GLU  66           HB2      GLU  66  16.548 -18.615   8.298
  494    HB3  GLU  66           HB3      GLU  66  15.563 -19.715   7.312
  495    HG2  GLU  66           HG2      GLU  66  17.022 -19.199   5.340
  496    HG3  GLU  66           HG3      GLU  66  18.053 -18.225   6.388
  497    H    ASN  67           H        ASN  67  14.411 -16.298   8.813
  498    HA   ASN  67           HA       ASN  67  11.910 -17.692   9.095
  499    HB2  ASN  67           HB2      ASN  67  12.112 -16.948  11.163
  500    HB3  ASN  67           HB3      ASN  67  13.512 -15.985  10.744
  501   HD21  ASN  67          HD22      ASN  67  13.149 -13.729   9.972
  502   HD22  ASN  67          HD21      ASN  67  11.827 -12.886  10.765
  503    H    PHE  68           H        PHE  68  13.034 -15.120   7.037
  504    HA   PHE  68           HA       PHE  68  10.316 -14.050   6.699
  505    HB2  PHE  68           HB2      PHE  68  13.049 -13.030   5.906
  506    HB3  PHE  68           HB3      PHE  68  11.605 -12.436   5.120
  507    HD1  PHE  68           HD2      PHE  68   9.644 -11.584   6.601
  508    HD2  PHE  68           HD1      PHE  68  13.689 -12.050   8.013
  509    HE1  PHE  68           HE2      PHE  68   9.184  -9.987   8.438
  510    HE2  PHE  68           HE1      PHE  68  13.223 -10.419   9.832
  511    HZ   PHE  68           HZ       PHE  68  10.986  -9.389  10.048
  512    H    ASN  69           H        ASN  69   9.772 -13.557   4.323
  513    HA   ASN  69           HA       ASN  69  10.379 -15.786   2.488
  514    HB2  ASN  69           HB2      ASN  69   8.417 -16.453   3.856
  515    HB3  ASN  69           HB3      ASN  69   7.718 -14.840   3.628
  516   HD21  ASN  69          HD22      ASN  69   7.204 -14.157   1.608
  517   HD22  ASN  69          HD21      ASN  69   6.428 -15.254   0.434
  518    H    ALA  70           H        ALA  70  11.595 -14.168   1.279
  519    HA   ALA  70           HA       ALA  70  10.815 -11.543   0.879
  520    HB1  ALA  70           HB1      ALA  70  12.139 -11.683  -1.218
  521    HB2  ALA  70           HB2      ALA  70  12.950 -12.286   0.233
  522    HB3  ALA  70           HB3      ALA  70  12.275 -13.444  -0.972
  523    H    ASP  71           H        ASP  71   9.476 -14.443  -0.538
  524    HA   ASP  71           HA       ASP  71   8.273 -13.431  -2.889
  525    HB2  ASP  71           HB2      ASP  71   7.991 -15.668  -2.857
  526    HB3  ASP  71           HB3      ASP  71   7.848 -15.759  -1.109
  527    H    ASP  72           H        ASP  72   7.500 -12.875   0.480
  528    HA   ASP  72           HA       ASP  72   4.857 -11.755  -0.058
  529    HB2  ASP  72           HB2      ASP  72   5.394 -13.007   2.022
  530    HB3  ASP  72           HB3      ASP  72   6.509 -11.726   2.477
  531    H    TYR  73           H        TYR  73   8.064 -10.445  -0.388
  532    HA   TYR  73           HA       TYR  73   7.109  -7.747   0.250
  533    HB2  TYR  73           HB2      TYR  73   9.941  -8.753   0.631
  534    HB3  TYR  73           HB3      TYR  73   9.319  -7.125   0.986
  535    HD1  TYR  73           HD1      TYR  73   9.023 -10.710   1.911
  536    HD2  TYR  73           HD2      TYR  73   8.496  -6.650   3.166
  537    HE1  TYR  73           HE1      TYR  73   8.350 -11.529   4.134
  538    HE2  TYR  73           HE2      TYR  73   7.810  -7.431   5.430
  539    HH   TYR  73           HH       TYR  73   7.305  -9.282   6.775
  540    H    ASP  74           H        ASP  74   7.021  -6.466  -1.463
  541    HA   ASP  74           HA       ASP  74   7.627  -7.530  -4.027
  542    HB2  ASP  74           HB2      ASP  74   7.119  -4.603  -3.333
  543    HB3  ASP  74           HB3      ASP  74   6.769  -5.411  -4.856
  544    H    VAL  75           H        VAL  75   9.742  -5.831  -1.880
  545    HA   VAL  75           HA       VAL  75  11.669  -5.268  -4.090
  546    HB   VAL  75           HB       VAL  75  10.360  -3.460  -2.198
  547   HG11  VAL  75          HG11      VAL  75  13.054  -3.064  -2.515
  548   HG12  VAL  75          HG12      VAL  75  12.361  -2.001  -3.760
  549   HG13  VAL  75          HG13      VAL  75  11.831  -1.835  -2.122
  550   HG21  VAL  75          HG21      VAL  75   9.134  -3.499  -4.199
  551   HG22  VAL  75          HG22      VAL  75   9.968  -1.962  -4.102
  552   HG23  VAL  75          HG23      VAL  75  10.594  -3.239  -5.168
  553    H    VAL  76           H        VAL  76  13.658  -6.084  -3.501
  554    HA   VAL  76           HA       VAL  76  14.203  -6.497  -0.599
  555    HB   VAL  76           HB       VAL  76  14.730  -8.122  -3.140
  556   HG11  VAL  76          HG11      VAL  76  16.933  -7.958  -1.984
  557   HG12  VAL  76          HG12      VAL  76  16.188  -8.559  -0.500
  558   HG13  VAL  76          HG13      VAL  76  16.271  -9.568  -1.986
  559   HG21  VAL  76          HG21      VAL  76  12.661  -8.577  -1.798
  560   HG22  VAL  76          HG22      VAL  76  13.763  -9.960  -1.866
  561   HG23  VAL  76          HG23      VAL  76  13.672  -8.964  -0.396
  562    H    ILE  77           H        ILE  77  15.856  -5.399   0.130
  563    HA   ILE  77           HA       ILE  77  18.023  -4.609  -1.741
  564    HB   ILE  77           HB       ILE  77  16.949  -3.153   0.698
  565   HG12  ILE  77          HG12      ILE  77  15.522  -2.557  -1.100
  566   HG13  ILE  77          HG13      ILE  77  16.670  -1.248  -0.870
  567   HG21  ILE  77          HG21      ILE  77  19.350  -2.515  -1.074
  568   HG22  ILE  77          HG22      ILE  77  18.711  -1.506   0.255
  569   HG23  ILE  77          HG23      ILE  77  19.413  -3.076   0.601
  570   HD11  ILE  77          HD11      ILE  77  16.328  -1.554  -3.248
  571   HD12  ILE  77          HD12      ILE  77  17.979  -2.155  -2.883
  572   HD13  ILE  77          HD13      ILE  77  16.644  -3.268  -3.132
  573    H    SER  78           H        SER  78  19.238  -6.382  -1.394
  574    HA   SER  78           HA       SER  78  19.723  -7.250   1.374
  575    HB2  SER  78           HB2      SER  78  19.558  -8.999  -0.194
  576    HB3  SER  78           HB3      SER  78  20.681  -8.215  -1.331
  577    HG   SER  78           HG       SER  78  22.323  -8.874  -0.240
  578    H    LEU  79           H        LEU  79  22.136  -7.135   2.076
  579    HA   LEU  79           HA       LEU  79  23.682  -5.020   0.724
  580    HB2  LEU  79           HB2      LEU  79  23.137  -4.855   3.726
  581    HB3  LEU  79           HB3      LEU  79  24.340  -3.939   2.831
  582    HG   LEU  79           HG       LEU  79  22.276  -3.144   1.395
  583   HD11  LEU  79          HD11      LEU  79  20.497  -4.403   2.523
  584   HD12  LEU  79          HD12      LEU  79  20.932  -3.702   4.073
  585   HD13  LEU  79          HD13      LEU  79  20.285  -2.674   2.783
  586   HD21  LEU  79          HD21      LEU  79  23.038  -2.029   4.114
  587   HD22  LEU  79          HD22      LEU  79  23.767  -1.646   2.547
  588   HD23  LEU  79          HD23      LEU  79  22.105  -1.149   2.876
  589    H    CYS  80           H        CYS  80  23.846  -7.921   0.824
  590    HA   CYS  80           HA       CYS  80  25.776  -8.576   2.947
  591    HB2  CYS  80           HB2      CYS  80  24.511 -10.413   0.839
  592    HB3  CYS  80           HB3      CYS  80  25.433 -10.849   2.285
  593    HG   CYS  80           HG       CYS  80  22.386  -9.735   1.891
  594    H    GLY  81           H        GLY  81  26.057  -7.254  -0.139
  595    HA2  GLY  81           HA2      GLY  81  28.286  -6.626  -0.802
  596    HA3  GLY  81           HA3      GLY  81  28.903  -8.197  -0.291
  597    H    CYS  82           H        CYS  82  25.866  -7.838  -2.004
  598    HA   CYS  82           HA       CYS  82  25.061  -9.032  -3.767
  599    HB2  CYS  82           HB2      CYS  82  26.095  -6.799  -4.559
  600    HB3  CYS  82           HB3      CYS  82  27.317  -7.804  -5.363
  601    HG   CYS  82           HG       CYS  82  25.553  -7.125  -7.154
  602    H    GLY  83           H        GLY  83  26.476 -10.826  -2.273
  603    HA2  GLY  83           HA2      GLY  83  27.548 -12.730  -4.260
  604    HA3  GLY  83           HA3      GLY  83  28.667 -12.128  -3.025
  605    H    VAL  84           H        VAL  84  25.163 -12.804  -2.614
  606    HA   VAL  84           HA       VAL  84  25.794 -15.098  -0.885
  607    HB   VAL  84           HB       VAL  84  23.834 -12.851  -0.331
  608   HG11  VAL  84          HG11      VAL  84  24.308 -15.382   1.311
  609   HG12  VAL  84          HG12      VAL  84  23.302 -13.987   1.781
  610   HG13  VAL  84          HG13      VAL  84  22.820 -14.987   0.416
  611   HG21  VAL  84          HG21      VAL  84  26.020 -12.157   0.257
  612   HG22  VAL  84          HG22      VAL  84  25.353 -12.822   1.787
  613   HG23  VAL  84          HG23      VAL  84  26.484 -13.776   0.842
  614    H    ASN  85           H        ASN  85  24.430 -16.829  -1.042
  615    HA   ASN  85           HA       ASN  85  22.970 -17.016  -3.559
  616    HB2  ASN  85           HB2      ASN  85  24.608 -18.756  -2.603
  617    HB3  ASN  85           HB3      ASN  85  23.340 -19.189  -1.452
  618   HD21  ASN  85          HD22      ASN  85  24.013 -18.730  -4.952
  619   HD22  ASN  85          HD21      ASN  85  22.894 -19.950  -5.528
  620    H    LEU  86           H        LEU  86  21.526 -15.245  -2.557
  621    HA   LEU  86           HA       LEU  86  19.601 -15.817  -0.545
  622    HB2  LEU  86           HB2      LEU  86  19.269 -14.068  -3.010
  623    HB3  LEU  86           HB3      LEU  86  18.276 -14.017  -1.551
  624    HG   LEU  86           HG       LEU  86  21.241 -13.313  -1.656
  625   HD11  LEU  86          HD11      LEU  86  18.822 -11.464  -1.501
  626   HD12  LEU  86          HD12      LEU  86  20.543 -10.991  -1.494
  627   HD13  LEU  86          HD13      LEU  86  19.838 -11.732  -2.940
  628   HD21  LEU  86          HD21      LEU  86  20.522 -14.061   0.605
  629   HD22  LEU  86          HD22      LEU  86  20.901 -12.332   0.570
  630   HD23  LEU  86          HD23      LEU  86  19.206 -12.869   0.565
  631    HA   PRO  87           HA       PRO  87  17.284 -18.992  -2.654
  632    HB2  PRO  87           HB2      PRO  87  14.879 -17.857  -1.268
  633    HB3  PRO  87           HB3      PRO  87  15.423 -19.551  -1.368
  634    HG2  PRO  87           HG2      PRO  87  15.847 -18.010   0.899
  635    HG3  PRO  87           HG3      PRO  87  17.027 -19.238   0.347
  636    HD2  PRO  87           HD2      PRO  87  17.176 -16.262   0.104
  637    HD3  PRO  87           HD3      PRO  87  18.475 -17.475   0.272
  638    HA   PRO  88           HA       PRO  88  15.765 -17.156  -6.196
  639    HB2  PRO  88           HB2      PRO  88  13.375 -19.024  -6.241
  640    HB3  PRO  88           HB3      PRO  88  14.497 -18.623  -7.581
  641    HG2  PRO  88           HG2      PRO  88  14.813 -20.926  -6.181
  642    HG3  PRO  88           HG3      PRO  88  16.242 -19.932  -6.607
  643    HD2  PRO  88           HD2      PRO  88  14.785 -20.101  -3.965
  644    HD3  PRO  88           HD3      PRO  88  16.543 -20.029  -4.308
  645    H    GLU  89           H        GLU  89  13.244 -17.328  -3.708
  646    HA   GLU  89           HA       GLU  89  11.343 -15.675  -5.040
  647    HB2  GLU  89           HB2      GLU  89  10.405 -15.433  -2.753
  648    HB3  GLU  89           HB3      GLU  89  10.605 -17.102  -3.300
  649    HG2  GLU  89           HG2      GLU  89  12.636 -17.325  -1.904
  650    HG3  GLU  89           HG3      GLU  89  12.458 -15.657  -1.366
  651    H    TRP  90           H        TRP  90  14.289 -15.009  -3.308
  652    HA   TRP  90           HA       TRP  90  13.640 -12.295  -2.641
  653    HB2  TRP  90           HB2      TRP  90  16.267 -13.809  -2.833
  654    HB3  TRP  90           HB3      TRP  90  16.161 -12.138  -2.309
  655    HD1  TRP  90           HD1      TRP  90  14.994 -15.640  -1.116
  656    HE1  TRP  90           HE1      TRP  90  14.620 -15.594   1.429
  657    HE3  TRP  90           HE3      TRP  90  15.770 -10.738  -0.290
  658    HZ2  TRP  90           HZ2      TRP  90  14.446 -13.604   3.511
  659    HZ3  TRP  90           HZ3      TRP  90  15.452  -9.701   1.917
  660    HH2  TRP  90           HH2      TRP  90  14.743 -11.157   3.866
  661    H    VAL  91           H        VAL  91  14.411 -13.682  -5.721
  662    HA   VAL  91           HA       VAL  91  15.467 -11.084  -6.614
  663    HB   VAL  91           HB       VAL  91  16.607 -12.244  -8.371
  664   HG11  VAL  91          HG11      VAL  91  17.684 -11.887  -6.101
  665   HG12  VAL  91          HG12      VAL  91  17.256 -13.554  -5.686
  666   HG13  VAL  91          HG13      VAL  91  18.372 -13.234  -7.025
  667   HG21  VAL  91          HG21      VAL  91  16.838 -14.593  -8.583
  668   HG22  VAL  91          HG22      VAL  91  15.896 -14.906  -7.123
  669   HG23  VAL  91          HG23      VAL  91  15.101 -14.260  -8.584
  670    H    THR  92           H        THR  92  12.619 -12.976  -6.870
  671    HA   THR  92           HA       THR  92  12.009 -12.248  -9.605
  672    HB   THR  92           HB       THR  92   9.802 -13.367  -8.893
  673    HG1  THR  92           HG1      THR  92   9.771 -14.310  -6.895
  674   HG21  THR  92          HG21      THR  92  12.460 -14.826  -8.471
  675   HG22  THR  92          HG22      THR  92  10.898 -15.614  -8.783
  676   HG23  THR  92          HG23      THR  92  11.643 -14.580 -10.022
  677    H    GLN  93           H        GLN  93  11.589 -10.747  -6.547
  678    HA   GLN  93           HA       GLN  93   9.459  -9.106  -6.617
  679    HB2  GLN  93           HB2      GLN  93  12.352  -8.826  -5.692
  680    HB3  GLN  93           HB3      GLN  93  11.066  -7.787  -5.099
  681    HG2  GLN  93           HG2      GLN  93  11.767 -10.574  -4.439
  682    HG3  GLN  93           HG3      GLN  93  11.186  -9.296  -3.409
  683   HE21  GLN  93          HE22      GLN  93  10.463 -12.247  -4.465
  684   HE22  GLN  93          HE21      GLN  93   8.712 -12.202  -4.687
  685    H    GLU  94           H        GLU  94   9.468  -6.676  -6.728
  686    HA   GLU  94           HA       GLU  94   9.824  -5.862  -9.442
  687    HB2  GLU  94           HB2      GLU  94   7.939  -4.909  -8.512
  688    HB3  GLU  94           HB3      GLU  94   8.642  -4.800  -6.901
  689    HG2  GLU  94           HG2      GLU  94   9.895  -2.924  -7.365
  690    HG3  GLU  94           HG3      GLU  94   9.563  -2.997  -9.109
  691    H    ILE  95           H        ILE  95  11.422  -5.381  -6.297
  692    HA   ILE  95           HA       ILE  95  13.801  -4.379  -7.813
  693    HB   ILE  95           HB       ILE  95  12.873  -3.550  -5.078
  694   HG12  ILE  95          HG12      ILE  95  11.988  -2.121  -6.785
  695   HG13  ILE  95          HG13      ILE  95  13.238  -1.275  -5.838
  696   HG21  ILE  95          HG21      ILE  95  15.033  -2.250  -4.930
  697   HG22  ILE  95          HG22      ILE  95  15.222  -3.995  -4.787
  698   HG23  ILE  95          HG23      ILE  95  15.642  -3.180  -6.309
  699   HD11  ILE  95          HD11      ILE  95  13.318  -0.691  -8.230
  700   HD12  ILE  95          HD12      ILE  95  14.813  -1.493  -7.730
  701   HD13  ILE  95          HD13      ILE  95  13.582  -2.375  -8.668
  702    H    PHE  96           H        PHE  96  15.566  -5.539  -7.501
  703    HA   PHE  96           HA       PHE  96  16.003  -6.969  -5.014
  704    HB2  PHE  96           HB2      PHE  96  15.437  -8.962  -6.083
  705    HB3  PHE  96           HB3      PHE  96  16.086  -8.438  -7.655
  706    HD1  PHE  96           HD2      PHE  96  17.415  -8.561  -4.112
  707    HD2  PHE  96           HD1      PHE  96  18.116  -9.518  -8.256
  708    HE1  PHE  96           HE2      PHE  96  19.750  -9.170  -3.568
  709    HE2  PHE  96           HE1      PHE  96  20.422 -10.240  -7.681
  710    HZ   PHE  96           HZ       PHE  96  21.247 -10.067  -5.349
  711    H    GLU  97           H        GLU  97  17.682  -5.851  -4.391
  712    HA   GLU  97           HA       GLU  97  19.896  -5.336  -6.249
  713    HB2  GLU  97           HB2      GLU  97  18.118  -3.265  -5.279
  714    HB3  GLU  97           HB3      GLU  97  19.634  -3.106  -4.401
  715    HG2  GLU  97           HG2      GLU  97  19.465  -3.294  -7.437
  716    HG3  GLU  97           HG3      GLU  97  19.385  -1.780  -6.552
  717    H    ASP  98           H        ASP  98  21.797  -4.807  -4.917
  718    HA   ASP  98           HA       ASP  98  21.682  -5.687  -2.147
  719    HB2  ASP  98           HB2      ASP  98  22.377  -7.724  -3.311
  720    HB3  ASP  98           HB3      ASP  98  23.787  -6.853  -3.933
  721    H    TRP  99           H        TRP  99  22.117  -3.786  -1.320
  722    HA   TRP  99           HA       TRP  99  24.024  -1.912  -2.575
  723    HB2  TRP  99           HB2      TRP  99  22.374  -1.627  -0.051
  724    HB3  TRP  99           HB3      TRP  99  23.403  -0.403  -0.764
  725    HD1  TRP  99           HD1      TRP  99  21.955  -1.667  -3.752
  726    HE1  TRP  99           HE1      TRP  99  19.737  -0.575  -4.400
  727    HE3  TRP  99           HE3      TRP  99  20.840   0.569   0.710
  728    HZ2  TRP  99           HZ2      TRP  99  17.567   0.753  -3.042
  729    HZ3  TRP  99           HZ3      TRP  99  18.599   1.596   1.039
  730    HH2  TRP  99           HH2      TRP  99  16.945   1.594  -0.792
  731    H    GLN 100           H        GLN 100  25.534  -3.570  -2.482
  732    HA   GLN 100           HA       GLN 100  27.018  -4.650  -0.469
  733    HB2  GLN 100           HB2      GLN 100  28.788  -4.624  -2.205
  734    HB3  GLN 100           HB3      GLN 100  27.210  -5.222  -2.733
  735    HG2  GLN 100           HG2      GLN 100  26.992  -2.635  -3.595
  736    HG3  GLN 100           HG3      GLN 100  28.736  -2.777  -3.589
  737   HE21  GLN 100          HE22      GLN 100  25.680  -4.201  -4.913
  738   HE22  GLN 100          HE21      GLN 100  26.441  -4.822  -6.362
  739    H    LEU 101           H        LEU 101  26.393  -1.940   0.494
  740    HA   LEU 101           HA       LEU 101  28.423  -0.097  -0.164
  741    HB2  LEU 101           HB2      LEU 101  25.884  -0.162   1.325
  742    HB3  LEU 101           HB3      LEU 101  27.048   0.646   2.329
  743    HG   LEU 101           HG       LEU 101  25.673   2.185   0.979
  744   HD11  LEU 101          HD11      LEU 101  28.630   2.249   0.199
  745   HD12  LEU 101          HD12      LEU 101  27.506   3.593   0.105
  746   HD13  LEU 101          HD13      LEU 101  27.916   2.928   1.692
  747   HD21  LEU 101          HD21      LEU 101  25.900   2.394  -1.398
  748   HD22  LEU 101          HD22      LEU 101  27.129   1.120  -1.487
  749   HD23  LEU 101          HD23      LEU 101  25.460   0.709  -1.037
  750    H    GLU 102           H        GLU 102  29.575   1.158   1.714
  751    HA   GLU 102           HA       GLU 102  31.694  -0.295   2.655
  752    HB2  GLU 102           HB2      GLU 102  30.385   2.264   3.601
  753    HB3  GLU 102           HB3      GLU 102  31.865   1.670   4.372
  754    HG2  GLU 102           HG2      GLU 102  32.929   1.643   2.082
  755    HG3  GLU 102           HG3      GLU 102  31.489   2.485   1.473
  756    H    ASP 103           H        ASP 103  32.418  -0.857   4.671
  757    HA   ASP 103           HA       ASP 103  30.435  -1.893   6.609
  758    HB2  ASP 103           HB2      ASP 103  31.704  -3.678   5.721
  759    HB3  ASP 103           HB3      ASP 103  33.226  -2.775   5.861
  760    HA   PRO 104           HA       PRO 104  32.619   1.207   9.171
  761    HB2  PRO 104           HB2      PRO 104  30.552   2.136  10.609
  762    HB3  PRO 104           HB3      PRO 104  30.601   2.440   8.845
  763    HG2  PRO 104           HG2      PRO 104  29.135   0.224  10.311
  764    HG3  PRO 104           HG3      PRO 104  28.473   1.354   9.068
  765    HD2  PRO 104           HD2      PRO 104  29.461  -1.217   8.569
  766    HD3  PRO 104           HD3      PRO 104  29.426   0.109   7.350
  767    H    ASP 105           H        ASP 105  31.516  -1.936   9.872
  768    HA   ASP 105           HA       ASP 105  30.729  -2.018  12.502
  769    HB2  ASP 105           HB2      ASP 105  30.579  -3.857  10.942
  770    HB3  ASP 105           HB3      ASP 105  32.350  -4.040  10.989
  771    H    GLY 106           H        GLY 106  34.067  -1.987  11.342
  772    HA2  GLY 106           HA2      GLY 106  35.089  -2.040  14.151
  773    HA3  GLY 106           HA3      GLY 106  35.993  -2.487  12.703
  774    H    GLN 107           H        GLN 107  33.968   0.454  12.688
  775    HA   GLN 107           HA       GLN 107  36.488   2.051  12.557
  776    HB2  GLN 107           HB2      GLN 107  33.981   2.355  10.835
  777    HB3  GLN 107           HB3      GLN 107  35.414   3.367  10.783
  778    HG2  GLN 107           HG2      GLN 107  36.769   1.168  10.516
  779    HG3  GLN 107           HG3      GLN 107  35.226   0.454  10.000
  780   HE21  GLN 107          HE22      GLN 107  34.463   1.023   7.840
  781   HE22  GLN 107          HE21      GLN 107  35.330   2.159   6.825
  782    H    SER 108           H        SER 108  35.971   4.379  12.386
  783    HA   SER 108           HA       SER 108  35.163   5.227  15.011
  784    HB2  SER 108           HB2      SER 108  35.948   6.919  12.601
  785    HB3  SER 108           HB3      SER 108  36.053   7.377  14.307
  786    HG   SER 108           HG       SER 108  38.098   6.708  13.482
  787    H    LEU 109           H        LEU 109  33.713   7.191  15.275
  788    HA   LEU 109           HA       LEU 109  31.088   6.771  14.319
  789    HB2  LEU 109           HB2      LEU 109  32.348   9.360  15.323
  790    HB3  LEU 109           HB3      LEU 109  30.640   9.125  15.018
  791    HG   LEU 109           HG       LEU 109  32.306   7.894  17.219
  792   HD11  LEU 109          HD11      LEU 109  31.375  10.178  17.546
  793   HD12  LEU 109          HD12      LEU 109  29.741   9.566  17.234
  794   HD13  LEU 109          HD13      LEU 109  30.648   9.008  18.659
  795   HD21  LEU 109          HD21      LEU 109  30.934   6.041  16.488
  796   HD22  LEU 109          HD22      LEU 109  30.229   6.705  17.959
  797   HD23  LEU 109          HD23      LEU 109  29.494   7.070  16.385
  798    H    GLU 110           H        GLU 110  33.755   8.611  12.894
  799    HA   GLU 110           HA       GLU 110  32.198  10.144  11.070
  800    HB2  GLU 110           HB2      GLU 110  35.045   9.077  10.923
  801    HB3  GLU 110           HB3      GLU 110  34.340  10.165   9.704
  802    HG2  GLU 110           HG2      GLU 110  33.793  11.790  11.484
  803    HG3  GLU 110           HG3      GLU 110  34.579  10.746  12.677
  804    H    VAL 111           H        VAL 111  33.525   6.751  10.769
  805    HA   VAL 111           HA       VAL 111  32.461   6.739   8.083
  806    HB   VAL 111           HB       VAL 111  33.602   4.404   9.655
  807   HG11  VAL 111          HG11      VAL 111  32.450   3.480   7.783
  808   HG12  VAL 111          HG12      VAL 111  32.723   4.909   6.767
  809   HG13  VAL 111          HG13      VAL 111  34.038   3.800   7.057
  810   HG21  VAL 111          HG21      VAL 111  35.318   6.154   9.457
  811   HG22  VAL 111          HG22      VAL 111  35.673   4.904   8.277
  812   HG23  VAL 111          HG23      VAL 111  34.916   6.414   7.745
  813    H    PHE 112           H        PHE 112  31.427   5.353  11.254
  814    HA   PHE 112           HA       PHE 112  28.949   4.339  10.455
  815    HB2  PHE 112           HB2      PHE 112  29.611   6.017  12.876
  816    HB3  PHE 112           HB3      PHE 112  27.975   5.570  12.501
  817    HD1  PHE 112           HD1      PHE 112  31.307   3.805  12.781
  818    HD2  PHE 112           HD2      PHE 112  27.074   3.771  13.614
  819    HE1  PHE 112           HE1      PHE 112  31.565   1.692  14.039
  820    HE2  PHE 112           HE2      PHE 112  27.349   1.646  14.877
  821    HZ   PHE 112           HZ       PHE 112  29.592   0.611  15.093
  822    H    ARG 113           H        ARG 113  29.586   7.894  10.933
  823    HA   ARG 113           HA       ARG 113  27.039   8.810   9.998
  824    HB2  ARG 113           HB2      ARG 113  29.786  10.148   9.771
  825    HB3  ARG 113           HB3      ARG 113  28.273  10.928   9.373
  826    HG2  ARG 113           HG2      ARG 113  27.523  10.679  11.739
  827    HG3  ARG 113           HG3      ARG 113  29.088   9.974  12.154
  828    HD2  ARG 113           HD2      ARG 113  30.266  11.969  11.464
  829    HD3  ARG 113           HD3      ARG 113  28.762  12.721  10.895
  830    HE   ARG 113           HE       ARG 113  28.010  12.334  13.376
  831   HH11  ARG 113          HH11      ARG 113  31.153  13.632  12.248
  832   HH12  ARG 113          HH12      ARG 113  31.472  14.475  13.718
  833   HH21  ARG 113          HH21      ARG 113  28.425  13.445  15.256
  834   HH22  ARG 113          HH22      ARG 113  29.871  14.401  15.485
  835    H    THR 114           H        THR 114  30.094   8.231   8.221
  836    HA   THR 114           HA       THR 114  29.164   9.338   5.790
  837    HB   THR 114           HB       THR 114  31.388   7.345   6.396
  838    HG1  THR 114           HG1      THR 114  31.754   9.263   7.452
  839   HG21  THR 114          HG21      THR 114  30.872   8.975   3.887
  840   HG22  THR 114          HG22      THR 114  32.460   8.279   4.301
  841   HG23  THR 114          HG23      THR 114  31.074   7.213   4.062
  842    H    VAL 115           H        VAL 115  28.992   5.971   7.091
  843    HA   VAL 115           HA       VAL 115  28.186   4.989   4.454
  844    HB   VAL 115           HB       VAL 115  28.035   3.547   7.157
  845   HG11  VAL 115          HG11      VAL 115  26.587   2.502   5.419
  846   HG12  VAL 115          HG12      VAL 115  27.957   2.472   4.286
  847   HG13  VAL 115          HG13      VAL 115  27.989   1.488   5.760
  848   HG21  VAL 115          HG21      VAL 115  30.350   3.944   6.831
  849   HG22  VAL 115          HG22      VAL 115  30.119   2.351   6.145
  850   HG23  VAL 115          HG23      VAL 115  30.245   3.797   5.090
  851    H    ARG 116           H        ARG 116  26.580   5.724   7.569
  852    HA   ARG 116           HA       ARG 116  23.897   5.332   6.976
  853    HB2  ARG 116           HB2      ARG 116  24.709   6.019   9.120
  854    HB3  ARG 116           HB3      ARG 116  25.467   7.449   8.463
  855    HG2  ARG 116           HG2      ARG 116  23.058   8.304   7.964
  856    HG3  ARG 116           HG3      ARG 116  22.570   7.008   9.079
  857    HD2  ARG 116           HD2      ARG 116  22.880   8.709  10.560
  858    HD3  ARG 116           HD3      ARG 116  24.536   7.986  10.542
  859    HE   ARG 116           HE       ARG 116  24.367  10.037   8.553
  860   HH11  ARG 116          HH21      ARG 116  24.242   9.889  12.109
  861   HH12  ARG 116          HH22      ARG 116  25.347  11.208  12.348
  862   HH21  ARG 116          HH12      ARG 116  25.515  12.036   8.884
  863   HH22  ARG 116          HH11      ARG 116  25.834  12.578  10.492
  864    H    GLY 117           H        GLY 117  25.814   8.324   6.074
  865    HA2  GLY 117           HA2      GLY 117  23.592   9.523   4.800
  866    HA3  GLY 117           HA3      GLY 117  25.299   9.923   4.478
  867    H    GLN 118           H        GLN 118  26.177   7.439   3.334
  868    HA   GLN 118           HA       GLN 118  25.134   7.678   0.684
  869    HB2  GLN 118           HB2      GLN 118  26.715   5.408   1.962
  870    HB3  GLN 118           HB3      GLN 118  26.461   5.643   0.216
  871    HG2  GLN 118           HG2      GLN 118  27.670   7.742   0.241
  872    HG3  GLN 118           HG3      GLN 118  27.762   7.733   2.000
  873   HE21  GLN 118          HE22      GLN 118  29.201   6.453   3.085
  874   HE22  GLN 118          HE21      GLN 118  30.501   5.536   2.318
  875    H    VAL 119           H        VAL 119  24.351   5.529   3.387
  876    HA   VAL 119           HA       VAL 119  22.589   3.817   1.889
  877    HB   VAL 119           HB       VAL 119  22.782   4.508   4.847
  878   HG11  VAL 119          HG11      VAL 119  21.296   2.612   5.294
  879   HG12  VAL 119          HG12      VAL 119  20.453   3.933   4.477
  880   HG13  VAL 119          HG13      VAL 119  20.939   2.496   3.546
  881   HG21  VAL 119          HG21      VAL 119  23.726   2.274   5.039
  882   HG22  VAL 119          HG22      VAL 119  23.338   1.900   3.345
  883   HG23  VAL 119          HG23      VAL 119  24.600   3.079   3.728
  884    H    LYS 120           H        LYS 120  22.096   6.954   3.699
  885    HA   LYS 120           HA       LYS 120  19.315   6.995   3.325
  886    HB2  LYS 120           HB2      LYS 120  19.322   9.024   4.275
  887    HB3  LYS 120           HB3      LYS 120  20.917   8.490   4.735
  888    HG2  LYS 120           HG2      LYS 120  21.775  10.362   3.997
  889    HG3  LYS 120           HG3      LYS 120  21.374   9.973   2.358
  890    HD2  LYS 120           HD2      LYS 120  19.533  11.425   4.307
  891    HD3  LYS 120           HD3      LYS 120  20.578  12.203   3.111
  892    HE2  LYS 120           HE2      LYS 120  19.360  11.016   1.276
  893    HE3  LYS 120           HE3      LYS 120  18.266  10.299   2.469
  894    HZ1  LYS 120           HZ1      LYS 120  17.304  12.267   1.452
  895    HZ2  LYS 120           HZ2      LYS 120  17.556  12.585   3.049
  896    HZ3  LYS 120           HZ3      LYS 120  18.564  13.208   1.911
  897    H    GLU 121           H        GLU 121  21.864   8.085   1.128
  898    HA   GLU 121           HA       GLU 121  20.152   9.206  -0.858
  899    HB2  GLU 121           HB2      GLU 121  22.293   9.981  -1.094
  900    HB3  GLU 121           HB3      GLU 121  23.008   8.555  -0.339
  901    HG2  GLU 121           HG2      GLU 121  23.074   7.325  -2.304
  902    HG3  GLU 121           HG3      GLU 121  22.087   8.503  -3.202
  903    H    ARG 122           H        ARG 122  21.671   5.936  -0.481
  904    HA   ARG 122           HA       ARG 122  20.455   4.909  -2.898
  905    HB2  ARG 122           HB2      ARG 122  21.661   3.554  -0.474
  906    HB3  ARG 122           HB3      ARG 122  20.814   2.688  -1.757
  907    HG2  ARG 122           HG2      ARG 122  22.395   4.123  -3.382
  908    HG3  ARG 122           HG3      ARG 122  23.427   4.205  -1.941
  909    HD2  ARG 122           HD2      ARG 122  23.516   1.784  -1.833
  910    HD3  ARG 122           HD3      ARG 122  22.198   1.654  -2.998
  911    HE   ARG 122           HE       ARG 122  24.882   2.751  -3.746
  912   HH11  ARG 122          HH11      ARG 122  22.083   0.730  -4.558
  913   HH12  ARG 122          HH12      ARG 122  22.798  -0.054  -5.909
  914   HH21  ARG 122          HH21      ARG 122  25.832   1.871  -5.663
  915   HH22  ARG 122          HH22      ARG 122  24.946   0.756  -6.639
  916    H    VAL 123           H        VAL 123  19.309   4.797   0.522
  917    HA   VAL 123           HA       VAL 123  16.892   3.465   0.056
  918    HB   VAL 123           HB       VAL 123  17.775   5.632   1.994
  919   HG11  VAL 123          HG11      VAL 123  15.391   5.919   1.878
  920   HG12  VAL 123          HG12      VAL 123  15.141   4.144   1.942
  921   HG13  VAL 123          HG13      VAL 123  15.780   5.031   3.338
  922   HG21  VAL 123          HG21      VAL 123  17.782   3.837   3.635
  923   HG22  VAL 123          HG22      VAL 123  17.142   2.680   2.458
  924   HG23  VAL 123          HG23      VAL 123  18.784   3.359   2.277
  925    H    GLU 124           H        GLU 124  17.570   6.995  -0.109
  926    HA   GLU 124           HA       GLU 124  14.969   7.652  -0.919
  927    HB2  GLU 124           HB2      GLU 124  16.560   9.077   0.129
  928    HB3  GLU 124           HB3      GLU 124  17.580   9.105  -1.344
  929    HG2  GLU 124           HG2      GLU 124  15.685  10.107  -2.575
  930    HG3  GLU 124           HG3      GLU 124  14.702  10.043  -1.079
  931    H    ASN 125           H        ASN 125  17.774   6.692  -2.888
  932    HA   ASN 125           HA       ASN 125  16.621   7.222  -5.429
  933    HB2  ASN 125           HB2      ASN 125  18.797   5.387  -4.451
  934    HB3  ASN 125           HB3      ASN 125  18.115   5.087  -6.031
  935   HD21  ASN 125          HD22      ASN 125  19.648   7.697  -4.089
  936   HD22  ASN 125          HD21      ASN 125  20.289   8.567  -5.472
  937    H    LEU 126           H        LEU 126  16.520   4.288  -3.375
  938    HA   LEU 126           HA       LEU 126  14.904   2.718  -5.150
  939    HB2  LEU 126           HB2      LEU 126  15.635   1.334  -3.633
  940    HB3  LEU 126           HB3      LEU 126  15.832   2.583  -2.386
  941    HG   LEU 126           HG       LEU 126  13.045   1.688  -2.859
  942   HD11  LEU 126          HD11      LEU 126  13.289  -0.366  -1.613
  943   HD12  LEU 126          HD12      LEU 126  14.223  -0.449  -3.110
  944   HD13  LEU 126          HD13      LEU 126  15.027  -0.146  -1.543
  945   HD21  LEU 126          HD21      LEU 126  13.706   3.207  -0.981
  946   HD22  LEU 126          HD22      LEU 126  12.901   1.727  -0.439
  947   HD23  LEU 126          HD23      LEU 126  14.668   1.892  -0.294
  948    H    ILE 127           H        ILE 127  14.073   4.943  -2.556
  949    HA   ILE 127           HA       ILE 127  11.223   4.719  -2.724
  950    HB   ILE 127           HB       ILE 127  13.281   6.622  -1.698
  951   HG12  ILE 127          HG12      ILE 127  10.869   5.748  -0.132
  952   HG13  ILE 127          HG13      ILE 127  11.902   4.438  -0.696
  953   HG21  ILE 127          HG21      ILE 127  11.884   8.325  -2.487
  954   HG22  ILE 127          HG22      ILE 127  10.415   7.510  -1.914
  955   HG23  ILE 127          HG23      ILE 127  11.591   8.165  -0.750
  956   HD11  ILE 127          HD11      ILE 127  13.277   6.788   0.602
  957   HD12  ILE 127          HD12      ILE 127  12.417   5.563   1.604
  958   HD13  ILE 127          HD13      ILE 127  13.696   5.070   0.486
  959    H    ALA 128           H        ALA 128  13.540   6.849  -4.511
  960    HA   ALA 128           HA       ALA 128  11.563   8.276  -5.911
  961    HB1  ALA 128           HB1      ALA 128  13.340   8.933  -7.440
  962    HB2  ALA 128           HB2      ALA 128  13.979   8.910  -5.781
  963    HB3  ALA 128           HB3      ALA 128  14.356   7.582  -6.910
  964    H    LYS 129           H        LYS 129  12.792   4.994  -6.522
  965    HA   LYS 129           HA       LYS 129  11.544   4.795  -9.100
  966    HB2  LYS 129           HB2      LYS 129  12.470   2.614  -7.194
  967    HB3  LYS 129           HB3      LYS 129  12.021   2.380  -8.879
  968    HG2  LYS 129           HG2      LYS 129  13.904   3.702  -9.646
  969    HG3  LYS 129           HG3      LYS 129  14.310   4.158  -7.973
  970    HD2  LYS 129           HD2      LYS 129  14.560   1.791  -7.370
  971    HD3  LYS 129           HD3      LYS 129  14.352   1.330  -9.079
  972    HE2  LYS 129           HE2      LYS 129  16.471   3.233  -8.002
  973    HE3  LYS 129           HE3      LYS 129  16.742   1.497  -8.250
  974    HZ1  LYS 129           HZ1      LYS 129  16.313   1.828 -10.635
  975    HZ2  LYS 129           HZ2      LYS 129  16.116   3.446 -10.420
  976    HZ3  LYS 129           HZ3      LYS 129  17.563   2.756 -10.144
  977    H    ILE 130           H        ILE 130  10.581   3.854  -5.750
  978    HA   ILE 130           HA       ILE 130   8.163   2.665  -6.848
  979    HB   ILE 130           HB       ILE 130   7.954   1.749  -4.550
  980   HG12  ILE 130          HG12      ILE 130  10.551   3.023  -3.996
  981   HG13  ILE 130          HG13      ILE 130   9.085   2.986  -3.054
  982   HG21  ILE 130          HG21      ILE 130   9.320  -0.109  -5.113
  983   HG22  ILE 130          HG22      ILE 130   8.861   0.606  -6.628
  984   HG23  ILE 130          HG23      ILE 130  10.494   0.914  -5.990
  985   HD11  ILE 130          HD11      ILE 130  10.685   1.529  -1.985
  986   HD12  ILE 130          HD12      ILE 130   9.492   0.450  -2.754
  987   HD13  ILE 130          HD13      ILE 130  11.065   0.706  -3.508
  988    H    SER 131           H        SER 131   8.865   5.390  -4.684
  989    HA   SER 131           HA       SER 131   6.165   5.526  -3.751
  990    HB2  SER 131           HB2      SER 131   8.454   7.522  -3.601
  991    HB3  SER 131           HB3      SER 131   6.961   7.562  -2.651
  992    HG   SER 131           HG       SER 131   8.553   6.520  -1.404
  Start of MODEL    6
    1    H    MET   1           H        MET   1   1.463  -2.511   2.288
    2    HA   MET   1           HA       MET   1   1.079  -1.181  -0.310
    3    HB2  MET   1           HB2      MET   1   1.198   0.162   1.999
    4    HB3  MET   1           HB3      MET   1   2.925  -0.131   1.867
    5    HG2  MET   1           HG2      MET   1   2.287   2.048   0.962
    6    HG3  MET   1           HG3      MET   1   2.929   1.033  -0.324
    7    HE1  MET   1           HE1      MET   1   0.282   3.347  -2.131
    8    HE2  MET   1           HE2      MET   1   1.307   3.787  -0.748
    9    HE3  MET   1           HE3      MET   1   1.979   2.827  -2.089
   10    H    LYS   2           H        LYS   2   3.513  -0.672  -1.307
   11    HA   LYS   2           HA       LYS   2   4.517  -3.264  -1.902
   12    HB2  LYS   2           HB2      LYS   2   6.145  -0.702  -2.303
   13    HB3  LYS   2           HB3      LYS   2   6.310  -2.233  -3.122
   14    HG2  LYS   2           HG2      LYS   2   5.192  -1.134  -4.739
   15    HG3  LYS   2           HG3      LYS   2   3.834  -1.819  -3.865
   16    HD2  LYS   2           HD2      LYS   2   3.092   0.400  -4.041
   17    HD3  LYS   2           HD3      LYS   2   3.938   0.510  -2.514
   18    HE2  LYS   2           HE2      LYS   2   4.841   2.348  -3.436
   19    HE3  LYS   2           HE3      LYS   2   6.030   1.185  -4.046
   20    HZ1  LYS   2           HZ1      LYS   2   3.659   2.178  -5.571
   21    HZ2  LYS   2           HZ2      LYS   2   5.208   2.626  -5.828
   22    HZ3  LYS   2           HZ3      LYS   2   4.732   1.086  -6.153
   23    H    LYS   3           H        LYS   3   5.881  -4.583  -0.712
   24    HA   LYS   3           HA       LYS   3   6.950  -3.341   1.750
   25    HB2  LYS   3           HB2      LYS   3   7.121  -6.261   1.115
   26    HB3  LYS   3           HB3      LYS   3   7.141  -5.453   2.679
   27    HG2  LYS   3           HG2      LYS   3   4.722  -4.872   2.361
   28    HG3  LYS   3           HG3      LYS   3   4.751  -5.712   0.801
   29    HD2  LYS   3           HD2      LYS   3   3.718  -7.043   2.601
   30    HD3  LYS   3           HD3      LYS   3   5.103  -7.831   1.833
   31    HE2  LYS   3           HE2      LYS   3   6.533  -7.441   3.676
   32    HE3  LYS   3           HE3      LYS   3   5.405  -6.299   4.437
   33    HZ1  LYS   3           HZ1      LYS   3   3.902  -8.127   4.874
   34    HZ2  LYS   3           HZ2      LYS   3   4.846  -9.198   4.071
   35    HZ3  LYS   3           HZ3      LYS   3   5.371  -8.520   5.479
   36    H    VAL   4           H        VAL   4   9.023  -3.059   2.173
   37    HA   VAL   4           HA       VAL   4  10.990  -4.067   0.201
   38    HB   VAL   4           HB       VAL   4  11.359  -1.645   1.958
   39   HG11  VAL   4          HG11      VAL   4  12.956  -2.994  -0.212
   40   HG12  VAL   4          HG12      VAL   4  13.148  -1.235   0.071
   41   HG13  VAL   4          HG13      VAL   4  13.484  -2.413   1.336
   42   HG21  VAL   4          HG21      VAL   4  11.039  -0.277  -0.167
   43   HG22  VAL   4          HG22      VAL   4  10.410  -1.731  -0.950
   44   HG23  VAL   4          HG23      VAL   4   9.558  -1.029   0.438
   45    H    MET   5           H        MET   5  13.058  -4.705   1.087
   46    HA   MET   5           HA       MET   5  13.099  -5.401   3.957
   47    HB2  MET   5           HB2      MET   5  13.203  -7.180   1.574
   48    HB3  MET   5           HB3      MET   5  14.601  -7.342   2.646
   49    HG2  MET   5           HG2      MET   5  11.732  -7.705   3.480
   50    HG3  MET   5           HG3      MET   5  12.970  -8.955   3.230
   51    HE1  MET   5           HE1      MET   5  12.534  -9.996   5.479
   52    HE2  MET   5           HE2      MET   5  12.435  -9.111   7.029
   53    HE3  MET   5           HE3      MET   5  11.246  -8.799   5.740
   54    H    PHE   6           H        PHE   6  15.066  -4.964   4.818
   55    HA   PHE   6           HA       PHE   6  17.292  -4.221   3.007
   56    HB2  PHE   6           HB2      PHE   6  16.599  -3.070   5.681
   57    HB3  PHE   6           HB3      PHE   6  18.104  -2.782   4.775
   58    HD1  PHE   6           HD1      PHE   6  14.492  -2.143   4.949
   59    HD2  PHE   6           HD2      PHE   6  18.027  -1.572   2.569
   60    HE1  PHE   6           HE1      PHE   6  13.210  -0.774   3.381
   61    HE2  PHE   6           HE2      PHE   6  16.768  -0.031   1.104
   62    HZ   PHE   6           HZ       PHE   6  14.365   0.435   1.524
   63    H    VAL   7           H        VAL   7  18.588  -6.067   3.039
   64    HA   VAL   7           HA       VAL   7  18.383  -7.923   5.340
   65    HB   VAL   7           HB       VAL   7  19.946  -8.403   2.797
   66   HG11  VAL   7          HG11      VAL   7  19.551 -10.727   3.189
   67   HG12  VAL   7          HG12      VAL   7  20.297 -10.024   4.624
   68   HG13  VAL   7          HG13      VAL   7  18.558 -10.384   4.617
   69   HG21  VAL   7          HG21      VAL   7  17.879  -9.538   1.906
   70   HG22  VAL   7          HG22      VAL   7  16.953  -8.817   3.249
   71   HG23  VAL   7          HG23      VAL   7  17.688  -7.787   2.010
   72    H    CYS   8           H        CYS   8  20.041  -8.338   6.801
   73    HA   CYS   8           HA       CYS   8  22.117  -6.281   6.801
   74    HB2  CYS   8           HB2      CYS   8  21.291  -8.347   8.892
   75    HB3  CYS   8           HB3      CYS   8  22.422  -7.015   9.151
   76    HG   CYS   8           HG       CYS   8  19.213  -6.889   8.332
   77    H    LYS   9           H        LYS   9  24.218  -6.734   7.785
   78    HA   LYS   9           HA       LYS   9  25.412  -9.365   7.652
   79    HB2  LYS   9           HB2      LYS   9  25.826  -7.499   5.466
   80    HB3  LYS   9           HB3      LYS   9  27.327  -7.564   6.338
   81    HG2  LYS   9           HG2      LYS   9  25.792  -9.962   5.248
   82    HG3  LYS   9           HG3      LYS   9  27.201  -9.202   4.498
   83    HD2  LYS   9           HD2      LYS   9  28.622  -9.869   6.402
   84    HD3  LYS   9           HD3      LYS   9  27.227 -10.657   7.183
   85    HE2  LYS   9           HE2      LYS   9  26.962 -12.138   5.182
   86    HE3  LYS   9           HE3      LYS   9  28.379 -11.372   4.444
   87    HZ1  LYS   9           HZ1      LYS   9  28.969 -13.451   5.527
   88    HZ2  LYS   9           HZ2      LYS   9  29.720 -12.230   6.303
   89    HZ3  LYS   9           HZ3      LYS   9  28.400 -12.947   6.970
   90    H    ARG  10           H        ARG  10  28.102  -8.297   8.264
   91    HA   ARG  10           HA       ARG  10  27.953  -7.848  10.963
   92    HB2  ARG  10           HB2      ARG  10  30.072  -8.333   9.896
   93    HB3  ARG  10           HB3      ARG  10  30.042  -6.831   8.966
   94    HG2  ARG  10           HG2      ARG  10  30.258  -5.513  11.058
   95    HG3  ARG  10           HG3      ARG  10  30.310  -7.018  12.000
   96    HD2  ARG  10           HD2      ARG  10  32.347  -5.846  10.096
   97    HD3  ARG  10           HD3      ARG  10  32.503  -6.119  11.800
   98    HE   ARG  10           HE       ARG  10  32.766  -8.442  11.501
   99   HH11  ARG  10          HH11      ARG  10  32.677  -6.705   8.378
  100   HH12  ARG  10          HH12      ARG  10  33.328  -8.041   7.485
  101   HH21  ARG  10          HH21      ARG  10  33.685 -10.173  10.307
  102   HH22  ARG  10          HH22      ARG  10  33.930 -10.038   8.605
  103    H    ASN  11           H        ASN  11  27.797  -6.249  12.367
  104    HA   ASN  11           HA       ASN  11  26.791  -4.540  13.307
  105    HB2  ASN  11           HB2      ASN  11  29.061  -3.563  12.655
  106    HB3  ASN  11           HB3      ASN  11  28.190  -2.632  11.428
  107   HD21  ASN  11          HD22      ASN  11  29.462  -2.297  14.439
  108   HD22  ASN  11          HD21      ASN  11  28.272  -1.283  15.204
  109    H    SER  12           H        SER  12  24.895  -5.548  12.393
  110    HA   SER  12           HA       SER  12  23.676  -5.037   9.999
  111    HB2  SER  12           HB2      SER  12  21.557  -5.635  11.495
  112    HB3  SER  12           HB3      SER  12  22.856  -6.810  11.207
  113    HG   SER  12           HG       SER  12  22.496  -5.268  13.580
  114    H    CYS  13           H        CYS  13  23.799  -2.744  12.658
  115    HA   CYS  13           HA       CYS  13  21.397  -1.354  12.028
  116    HB2  CYS  13           HB2      CYS  13  23.912  -0.387  13.392
  117    HB3  CYS  13           HB3      CYS  13  22.363   0.508  13.253
  118    HG   CYS  13           HG       CYS  13  20.821  -1.245  14.366
  119    H    ARG  14           H        ARG  14  24.405  -1.373  10.089
  120    HA   ARG  14           HA       ARG  14  23.644   1.097   8.711
  121    HB2  ARG  14           HB2      ARG  14  24.922   0.091   6.724
  122    HB3  ARG  14           HB3      ARG  14  25.828   0.466   8.181
  123    HG2  ARG  14           HG2      ARG  14  26.095  -1.760   8.784
  124    HG3  ARG  14           HG3      ARG  14  24.780  -2.356   7.761
  125    HD2  ARG  14           HD2      ARG  14  26.113  -2.043   5.773
  126    HD3  ARG  14           HD3      ARG  14  27.388  -1.203   6.682
  127    HE   ARG  14           HE       ARG  14  27.001  -3.711   7.946
  128   HH11  ARG  14          HH21      ARG  14  28.136  -2.558   4.763
  129   HH12  ARG  14          HH22      ARG  14  29.384  -3.711   4.650
  130   HH21  ARG  14          HH11      ARG  14  28.656  -5.243   7.780
  131   HH22  ARG  14          HH12      ARG  14  29.609  -5.392   6.333
  132    H    SER  15           H        SER  15  22.578  -2.285   8.334
  133    HA   SER  15           HA       SER  15  21.058  -1.611   5.934
  134    HB2  SER  15           HB2      SER  15  20.615  -4.185   7.256
  135    HB3  SER  15           HB3      SER  15  21.169  -3.847   5.610
  136    HG   SER  15           HG       SER  15  23.284  -3.824   6.312
  137    H    GLN  16           H        GLN  16  20.374  -2.437   9.381
  138    HA   GLN  16           HA       GLN  16  17.551  -1.927   9.158
  139    HB2  GLN  16           HB2      GLN  16  18.450  -3.267  10.919
  140    HB3  GLN  16           HB3      GLN  16  19.526  -1.979  11.438
  141    HG2  GLN  16           HG2      GLN  16  17.364  -0.631  11.983
  142    HG3  GLN  16           HG3      GLN  16  16.539  -2.189  11.827
  143   HE21  GLN  16          HE22      GLN  16  16.603  -3.534  13.655
  144   HE22  GLN  16          HE21      GLN  16  17.567  -3.165  15.083
  145    H    MET  17           H        MET  17  20.352   0.342   9.482
  146    HA   MET  17           HA       MET  17  18.750   2.668   9.947
  147    HB2  MET  17           HB2      MET  17  21.220   2.806  10.125
  148    HB3  MET  17           HB3      MET  17  21.329   2.335   8.396
  149    HG2  MET  17           HG2      MET  17  21.768   4.631   8.557
  150    HG3  MET  17           HG3      MET  17  20.247   4.454   7.739
  151    HE1  MET  17           HE1      MET  17  17.888   5.927   8.835
  152    HE2  MET  17           HE2      MET  17  17.860   4.506   9.932
  153    HE3  MET  17           HE3      MET  17  17.862   6.166  10.594
  154    H    ALA  18           H        ALA  18  19.694   0.876   6.992
  155    HA   ALA  18           HA       ALA  18  18.595   2.762   5.208
  156    HB1  ALA  18           HB1      ALA  18  18.858   1.040   3.570
  157    HB2  ALA  18           HB2      ALA  18  20.121   0.743   4.799
  158    HB3  ALA  18           HB3      ALA  18  18.649  -0.247   4.768
  159    H    GLU  19           H        GLU  19  17.065  -0.007   6.929
  160    HA   GLU  19           HA       GLU  19  14.415   0.508   6.032
  161    HB2  GLU  19           HB2      GLU  19  15.075  -1.535   7.251
  162    HB3  GLU  19           HB3      GLU  19  15.374  -0.572   8.694
  163    HG2  GLU  19           HG2      GLU  19  12.890   0.134   8.553
  164    HG3  GLU  19           HG3      GLU  19  12.724  -1.167   7.371
  165    H    GLY  20           H        GLY  20  16.343   2.125   8.710
  166    HA2  GLY  20           HA2      GLY  20  14.040   3.425   9.803
  167    HA3  GLY  20           HA3      GLY  20  15.731   3.818  10.112
  168    H    PHE  21           H        PHE  21  16.487   4.425   7.352
  169    HA   PHE  21           HA       PHE  21  15.275   7.087   6.985
  170    HB2  PHE  21           HB2      PHE  21  17.240   5.401   5.407
  171    HB3  PHE  21           HB3      PHE  21  16.570   6.895   4.762
  172    HD1  PHE  21           HD2      PHE  21  16.620   8.925   6.670
  173    HD2  PHE  21           HD1      PHE  21  19.480   5.723   6.138
  174    HE1  PHE  21           HE2      PHE  21  18.371  10.300   7.725
  175    HE2  PHE  21           HE1      PHE  21  21.197   7.093   7.148
  176    HZ   PHE  21           HZ       PHE  21  20.662   9.414   7.981
  177    H    ALA  22           H        ALA  22  14.865   3.793   5.513
  178    HA   ALA  22           HA       ALA  22  13.198   4.835   3.438
  179    HB1  ALA  22           HB1      ALA  22  14.411   2.738   3.184
  180    HB2  ALA  22           HB2      ALA  22  13.549   2.038   4.550
  181    HB3  ALA  22           HB3      ALA  22  12.663   2.431   3.046
  182    H    LYS  23           H        LYS  23  12.301   3.424   6.657
  183    HA   LYS  23           HA       LYS  23   9.494   3.658   6.240
  184    HB2  LYS  23           HB2      LYS  23   9.255   3.193   8.536
  185    HB3  LYS  23           HB3      LYS  23  10.756   2.377   8.079
  186    HG2  LYS  23           HG2      LYS  23  12.005   4.372   8.941
  187    HG3  LYS  23           HG3      LYS  23  10.487   5.063   9.517
  188    HD2  LYS  23           HD2      LYS  23  10.204   3.078  11.018
  189    HD3  LYS  23           HD3      LYS  23  11.809   2.500  10.494
  190    HE2  LYS  23           HE2      LYS  23  12.766   4.752  11.216
  191    HE3  LYS  23           HE3      LYS  23  11.176   5.188  11.846
  192    HZ1  LYS  23           HZ1      LYS  23  12.713   4.318  13.574
  193    HZ2  LYS  23           HZ2      LYS  23  11.367   3.381  13.457
  194    HZ3  LYS  23           HZ3      LYS  23  12.820   2.895  12.813
  195    H    THR  24           H        THR  24  11.864   6.056   6.845
  196    HA   THR  24           HA       THR  24  10.098   8.165   7.810
  197    HB   THR  24           HB       THR  24  13.014   7.636   7.272
  198    HG1  THR  24           HG1      THR  24  12.782   7.233   9.250
  199   HG21  THR  24          HG21      THR  24  12.058  10.443   7.765
  200   HG22  THR  24          HG22      THR  24  13.742   9.829   7.875
  201   HG23  THR  24          HG23      THR  24  12.898   9.806   6.316
  202    H    LEU  25           H        LEU  25  12.053   7.465   4.908
  203    HA   LEU  25           HA       LEU  25  11.172   9.832   3.530
  204    HB2  LEU  25           HB2      LEU  25  13.012   7.532   2.942
  205    HB3  LEU  25           HB3      LEU  25  12.696   8.800   1.741
  206    HG   LEU  25           HG       LEU  25  13.910   9.236   4.477
  207   HD11  LEU  25          HD11      LEU  25  15.182   9.184   1.702
  208   HD12  LEU  25          HD12      LEU  25  16.029   9.585   3.213
  209   HD13  LEU  25          HD13      LEU  25  15.418   7.950   2.958
  210   HD21  LEU  25          HD21      LEU  25  12.780  11.284   3.672
  211   HD22  LEU  25          HD22      LEU  25  14.524  11.484   3.558
  212   HD23  LEU  25          HD23      LEU  25  13.590  11.124   2.092
  213    H    GLY  26           H        GLY  26  10.365   6.416   3.482
  214    HA2  GLY  26           HA2      GLY  26   8.771   6.577   0.976
  215    HA3  GLY  26           HA3      GLY  26   9.367   5.124   1.824
  216    H    ALA  27           H        ALA  27   8.041   7.556   3.869
  217    HA   ALA  27           HA       ALA  27   6.183   5.768   5.021
  218    HB1  ALA  27           HB1      ALA  27   7.325   7.695   6.186
  219    HB2  ALA  27           HB2      ALA  27   6.338   8.821   5.245
  220    HB3  ALA  27           HB3      ALA  27   5.559   7.714   6.396
  221    H    GLY  28           H        GLY  28   4.200   5.199   4.356
  222    HA2  GLY  28           HA2      GLY  28   2.060   5.400   3.513
  223    HA3  GLY  28           HA3      GLY  28   2.362   7.113   3.156
  224    H    LYS  29           H        LYS  29   4.814   5.200   1.788
  225    HA   LYS  29           HA       LYS  29   3.516   5.112  -0.866
  226    HB2  LYS  29           HB2      LYS  29   6.358   5.683   0.031
  227    HB3  LYS  29           HB3      LYS  29   5.899   5.410  -1.645
  228    HG2  LYS  29           HG2      LYS  29   4.705   7.601   0.123
  229    HG3  LYS  29           HG3      LYS  29   6.093   7.838  -0.935
  230    HD2  LYS  29           HD2      LYS  29   4.547   6.867  -2.820
  231    HD3  LYS  29           HD3      LYS  29   3.209   7.228  -1.723
  232    HE2  LYS  29           HE2      LYS  29   3.685   9.584  -1.760
  233    HE3  LYS  29           HE3      LYS  29   5.287   9.326  -2.467
  234    HZ1  LYS  29           HZ1      LYS  29   3.767  10.061  -4.165
  235    HZ2  LYS  29           HZ2      LYS  29   4.219   8.512  -4.488
  236    HZ3  LYS  29           HZ3      LYS  29   2.727   8.832  -3.871
  237    H    ILE  30           H        ILE  30   5.661   3.599   1.530
  238    HA   ILE  30           HA       ILE  30   5.284   0.965   0.252
  239    HB   ILE  30           HB       ILE  30   7.708   0.519   0.575
  240   HG12  ILE  30          HG12      ILE  30   8.244   3.480   0.782
  241   HG13  ILE  30          HG13      ILE  30   7.970   2.541   2.248
  242   HG21  ILE  30          HG21      ILE  30   6.650   1.283  -1.606
  243   HG22  ILE  30          HG22      ILE  30   7.308   2.907  -1.299
  244   HG23  ILE  30          HG23      ILE  30   8.402   1.522  -1.459
  245   HD11  ILE  30          HD11      ILE  30  10.318   2.708   1.904
  246   HD12  ILE  30          HD12      ILE  30   9.821   1.027   1.668
  247   HD13  ILE  30          HD13      ILE  30  10.194   2.073   0.247
  248    H    ALA  31           H        ALA  31   6.314  -0.666   1.708
  249    HA   ALA  31           HA       ALA  31   5.898  -0.091   4.615
  250    HB1  ALA  31           HB1      ALA  31   4.149  -1.670   3.873
  251    HB2  ALA  31           HB2      ALA  31   5.372  -2.689   3.077
  252    HB3  ALA  31           HB3      ALA  31   5.364  -2.529   4.843
  253    H    VAL  32           H        VAL  32   7.693  -0.824   5.844
  254    HA   VAL  32           HA       VAL  32  10.057  -1.621   4.276
  255    HB   VAL  32           HB       VAL  32  10.057   0.377   6.546
  256   HG11  VAL  32          HG11      VAL  32  11.685   0.525   4.050
  257   HG12  VAL  32          HG12      VAL  32  12.010   1.132   5.704
  258   HG13  VAL  32          HG13      VAL  32  12.154  -0.591   5.362
  259   HG21  VAL  32          HG21      VAL  32   8.436   1.521   5.250
  260   HG22  VAL  32          HG22      VAL  32   9.961   2.211   4.688
  261   HG23  VAL  32          HG23      VAL  32   9.164   0.988   3.724
  262    H    THR  33           H        THR  33  11.528  -3.047   5.255
  263    HA   THR  33           HA       THR  33  11.225  -3.839   8.088
  264    HB   THR  33           HB       THR  33  11.328  -6.148   6.341
  265    HG1  THR  33           HG1      THR  33  10.039  -4.950   4.913
  266   HG21  THR  33          HG21      THR  33  10.716  -6.242   8.722
  267   HG22  THR  33          HG22      THR  33   9.252  -5.288   8.389
  268   HG23  THR  33          HG23      THR  33   9.436  -6.913   7.695
  269    H    SER  34           H        SER  34  13.114  -5.326   8.744
  270    HA   SER  34           HA       SER  34  15.234  -5.597   6.732
  271    HB2  SER  34           HB2      SER  34  17.014  -4.959   8.301
  272    HB3  SER  34           HB3      SER  34  15.985  -3.608   7.831
  273    HG   SER  34           HG       SER  34  15.083  -3.549   9.809
  274    H    CYS  35           H        CYS  35  16.930  -7.264   7.550
  275    HA   CYS  35           HA       CYS  35  15.867  -9.097   9.601
  276    HB2  CYS  35           HB2      CYS  35  15.832 -11.023   7.983
  277    HB3  CYS  35           HB3      CYS  35  14.589  -9.792   7.686
  278    HG   CYS  35           HG       CYS  35  15.384 -10.681   5.402
  279    H    GLY  36           H        GLY  36  17.336 -10.773  10.208
  280    HA2  GLY  36           HA2      GLY  36  19.346 -12.038   9.890
  281    HA3  GLY  36           HA3      GLY  36  20.117 -10.648   9.121
  282    H    LEU  37           H        LEU  37  19.667  -8.587  10.759
  283    HA   LEU  37           HA       LEU  37  20.780  -7.522  12.370
  284    HB2  LEU  37           HB2      LEU  37  18.469  -8.809  13.365
  285    HB3  LEU  37           HB3      LEU  37  19.639  -8.971  14.634
  286    HG   LEU  37           HG       LEU  37  20.068  -6.327  13.985
  287   HD11  LEU  37          HD11      LEU  37  17.091  -6.818  13.458
  288   HD12  LEU  37          HD12      LEU  37  17.888  -5.256  13.525
  289   HD13  LEU  37          HD13      LEU  37  18.293  -6.364  12.223
  290   HD21  LEU  37          HD21      LEU  37  19.679  -6.994  16.248
  291   HD22  LEU  37          HD22      LEU  37  18.508  -5.724  15.843
  292   HD23  LEU  37          HD23      LEU  37  17.996  -7.423  15.898
  293    H    GLU  38           H        GLU  38  22.611  -9.454  11.398
  294    HA   GLU  38           HA       GLU  38  24.475 -10.618  11.833
  295    HB2  GLU  38           HB2      GLU  38  24.720  -8.262  13.117
  296    HB3  GLU  38           HB3      GLU  38  24.790  -9.360  14.512
  297    HG2  GLU  38           HG2      GLU  38  26.663 -10.603  13.299
  298    HG3  GLU  38           HG3      GLU  38  26.611  -9.347  12.072
  299    H    SER  39           H        SER  39  21.835 -11.487  13.320
  300    HA   SER  39           HA       SER  39  21.080 -13.030  14.773
  301    HB2  SER  39           HB2      SER  39  23.840 -14.274  14.500
  302    HB3  SER  39           HB3      SER  39  22.398 -15.082  15.136
  303    HG   SER  39           HG       SER  39  22.783 -15.574  12.901
  304    H    SER  40           H        SER  40  22.179 -10.598  15.755
  305    HA   SER  40           HA       SER  40  22.822 -11.286  18.576
  306    HB2  SER  40           HB2      SER  40  24.248  -9.240  16.814
  307    HB3  SER  40           HB3      SER  40  24.499  -9.446  18.552
  308    HG   SER  40           HG       SER  40  26.072 -10.553  17.234
  309    H    ARG  41           H        ARG  41  22.759  -8.994  19.816
  310    HA   ARG  41           HA       ARG  41  20.108  -7.824  19.327
  311    HB2  ARG  41           HB2      ARG  41  22.279  -7.469  21.431
  312    HB3  ARG  41           HB3      ARG  41  21.050  -6.235  21.234
  313    HG2  ARG  41           HG2      ARG  41  20.285  -7.672  22.942
  314    HG3  ARG  41           HG3      ARG  41  19.255  -7.920  21.526
  315    HD2  ARG  41           HD2      ARG  41  20.428 -10.028  21.014
  316    HD3  ARG  41           HD3      ARG  41  21.544  -9.745  22.375
  317    HE   ARG  41           HE       ARG  41  18.864  -9.653  23.322
  318   HH11  ARG  41          HH12      ARG  41  21.186 -12.061  22.108
  319   HH12  ARG  41          HH11      ARG  41  20.505 -13.375  23.001
  320   HH21  ARG  41          HH21      ARG  41  17.948 -11.397  24.498
  321   HH22  ARG  41          HH22      ARG  41  18.615 -12.985  24.382
  322    H    VAL  42           H        VAL  42  19.951  -5.406  19.296
  323    HA   VAL  42           HA       VAL  42  21.244  -4.330  16.981
  324    HB   VAL  42           HB       VAL  42  18.877  -3.968  17.975
  325   HG11  VAL  42          HG11      VAL  42  19.558  -3.293  20.274
  326   HG12  VAL  42          HG12      VAL  42  20.272  -1.806  19.616
  327   HG13  VAL  42          HG13      VAL  42  18.527  -2.091  19.488
  328   HG21  VAL  42          HG21      VAL  42  20.299  -1.451  17.093
  329   HG22  VAL  42          HG22      VAL  42  19.770  -2.768  16.017
  330   HG23  VAL  42          HG23      VAL  42  18.575  -1.850  16.944
  331    H    HIS  43           H        HIS  43  22.277  -2.119  17.065
  332    HA   HIS  43           HA       HIS  43  24.511  -2.248  19.024
  333    HB2  HIS  43           HB2      HIS  43  24.988  -3.183  16.836
  334    HB3  HIS  43           HB3      HIS  43  24.517  -1.681  16.056
  335    HD1  HIS  43           HD1      HIS  43  27.340  -3.003  18.350
  336    HD2  HIS  43           HD2      HIS  43  26.259   0.299  15.975
  337    HE1  HIS  43           HE1      HIS  43  29.401  -1.513  18.212
  338    HA   PRO  44           HA       PRO  44  22.677   1.728  19.820
  339    HB2  PRO  44           HB2      PRO  44  24.198   2.573  21.958
  340    HB3  PRO  44           HB3      PRO  44  22.935   1.307  22.048
  341    HG2  PRO  44           HG2      PRO  44  25.922   0.916  21.686
  342    HG3  PRO  44           HG3      PRO  44  24.834   0.111  22.869
  343    HD2  PRO  44           HD2      PRO  44  25.515  -1.079  20.539
  344    HD3  PRO  44           HD3      PRO  44  23.837  -1.211  21.162
  345    H    THR  45           H        THR  45  26.223   1.561  19.088
  346    HA   THR  45           HA       THR  45  26.663   4.331  18.940
  347    HB   THR  45           HB       THR  45  27.888   2.417  16.931
  348    HG1  THR  45           HG1      THR  45  28.607   1.229  18.439
  349   HG21  THR  45          HG21      THR  45  29.925   3.735  17.432
  350   HG22  THR  45          HG22      THR  45  28.603   4.770  16.866
  351   HG23  THR  45          HG23      THR  45  28.998   4.718  18.598
  352    H    ALA  46           H        ALA  46  25.089   2.175  16.561
  353    HA   ALA  46           HA       ALA  46  24.972   4.206  14.492
  354    HB1  ALA  46           HB1      ALA  46  24.830   1.799  13.966
  355    HB2  ALA  46           HB2      ALA  46  23.344   1.670  14.945
  356    HB3  ALA  46           HB3      ALA  46  23.349   2.623  13.441
  357    H    ILE  47           H        ILE  47  22.743   3.023  17.038
  358    HA   ILE  47           HA       ILE  47  20.536   4.642  16.353
  359    HB   ILE  47           HB       ILE  47  21.448   3.438  18.924
  360   HG12  ILE  47          HG12      ILE  47  19.231   2.357  18.774
  361   HG13  ILE  47          HG13      ILE  47  18.969   3.091  17.190
  362   HG21  ILE  47          HG21      ILE  47  20.416   5.520  19.722
  363   HG22  ILE  47          HG22      ILE  47  19.013   5.249  18.661
  364   HG23  ILE  47          HG23      ILE  47  19.339   4.180  20.039
  365   HD11  ILE  47          HD11      ILE  47  20.875   1.719  16.332
  366   HD12  ILE  47          HD12      ILE  47  21.085   1.044  17.980
  367   HD13  ILE  47          HD13      ILE  47  19.590   0.742  17.086
  368    H    ALA  48           H        ALA  48  23.353   5.386  18.499
  369    HA   ALA  48           HA       ALA  48  22.577   7.994  19.172
  370    HB1  ALA  48           HB1      ALA  48  25.407   6.974  18.659
  371    HB2  ALA  48           HB2      ALA  48  24.958   8.448  19.549
  372    HB3  ALA  48           HB3      ALA  48  24.512   6.858  20.201
  373    H    MET  49           H        MET  49  24.286   6.859  16.232
  374    HA   MET  49           HA       MET  49  24.677   9.493  15.202
  375    HB2  MET  49           HB2      MET  49  24.593   6.864  13.715
  376    HB3  MET  49           HB3      MET  49  24.997   8.428  12.995
  377    HG2  MET  49           HG2      MET  49  26.499   6.909  15.083
  378    HG3  MET  49           HG3      MET  49  26.994   7.425  13.461
  379    HE1  MET  49           HE1      MET  49  27.868   9.384  17.354
  380    HE2  MET  49           HE2      MET  49  26.152   9.037  17.133
  381    HE3  MET  49           HE3      MET  49  27.348   7.727  16.941
  382    H    MET  50           H        MET  50  21.863   7.380  15.248
  383    HA   MET  50           HA       MET  50  20.616   8.889  13.043
  384    HB2  MET  50           HB2      MET  50  19.317   6.758  14.768
  385    HB3  MET  50           HB3      MET  50  18.851   7.317  13.159
  386    HG2  MET  50           HG2      MET  50  20.849   5.336  13.941
  387    HG3  MET  50           HG3      MET  50  19.839   5.438  12.526
  388    HE1  MET  50           HE1      MET  50  23.715   4.928  12.610
  389    HE2  MET  50           HE2      MET  50  22.148   4.120  12.264
  390    HE3  MET  50           HE3      MET  50  23.139   4.799  10.939
  391    H    GLU  51           H        GLU  51  20.457   8.561  16.575
  392    HA   GLU  51           HA       GLU  51  18.268  10.299  17.004
  393    HB2  GLU  51           HB2      GLU  51  19.179   8.639  18.638
  394    HB3  GLU  51           HB3      GLU  51  20.661   9.587  18.782
  395    HG2  GLU  51           HG2      GLU  51  19.393  11.476  19.740
  396    HG3  GLU  51           HG3      GLU  51  17.877  10.610  19.490
  397    H    GLU  52           H        GLU  52  21.742  10.888  16.593
  398    HA   GLU  52           HA       GLU  52  21.496  13.641  17.281
  399    HB2  GLU  52           HB2      GLU  52  23.777  13.850  17.047
  400    HB3  GLU  52           HB3      GLU  52  23.488  12.266  17.701
  401    HG2  GLU  52           HG2      GLU  52  25.056  11.617  16.230
  402    HG3  GLU  52           HG3      GLU  52  23.683  11.545  15.117
  403    H    VAL  53           H        VAL  53  20.169  12.221  14.648
  404    HA   VAL  53           HA       VAL  53  20.175  14.827  13.264
  405    HB   VAL  53           HB       VAL  53  19.815  13.596  11.163
  406   HG11  VAL  53          HG11      VAL  53  22.537  13.177  12.443
  407   HG12  VAL  53          HG12      VAL  53  22.202  13.239  10.697
  408   HG13  VAL  53          HG13      VAL  53  21.962  14.679  11.698
  409   HG21  VAL  53          HG21      VAL  53  19.259  11.348  11.921
  410   HG22  VAL  53          HG22      VAL  53  20.645  11.329  10.827
  411   HG23  VAL  53          HG23      VAL  53  20.905  11.157  12.570
  412    H    GLY  54           H        GLY  54  18.302  12.091  14.505
  413    HA2  GLY  54           HA2      GLY  54  16.201  12.968  15.445
  414    HA3  GLY  54           HA3      GLY  54  15.821  13.663  13.875
  415    H    ILE  55           H        ILE  55  17.191  10.352  14.395
  416    HA   ILE  55           HA       ILE  55  14.611   9.156  13.643
  417    HB   ILE  55           HB       ILE  55  17.231   8.420  12.336
  418   HG12  ILE  55          HG12      ILE  55  14.762   9.904  11.348
  419   HG13  ILE  55          HG13      ILE  55  16.427  10.506  11.442
  420   HG21  ILE  55          HG21      ILE  55  15.777   6.852  10.981
  421   HG22  ILE  55          HG22      ILE  55  15.877   6.396  12.640
  422   HG23  ILE  55          HG23      ILE  55  14.417   7.249  12.039
  423   HD11  ILE  55          HD11      ILE  55  15.298   8.445   9.581
  424   HD12  ILE  55          HD12      ILE  55  16.073   9.995   9.188
  425   HD13  ILE  55          HD13      ILE  55  17.060   8.645   9.838
  426    H    ASP  56           H        ASP  56  14.611   6.793  14.367
  427    HA   ASP  56           HA       ASP  56  16.764   5.945  16.189
  428    HB2  ASP  56           HB2      ASP  56  15.265   6.843  17.829
  429    HB3  ASP  56           HB3      ASP  56  13.853   6.174  17.003
  430    H    ILE  57           H        ILE  57  16.848   3.648  16.282
  431    HA   ILE  57           HA       ILE  57  15.207   2.100  14.464
  432    HB   ILE  57           HB       ILE  57  17.103   1.242  13.236
  433   HG12  ILE  57          HG12      ILE  57  18.851   3.362  14.574
  434   HG13  ILE  57          HG13      ILE  57  18.960   1.610  14.806
  435   HG21  ILE  57          HG21      ILE  57  17.289   2.965  11.654
  436   HG22  ILE  57          HG22      ILE  57  15.791   3.357  12.483
  437   HG23  ILE  57          HG23      ILE  57  17.255   4.258  12.891
  438   HD11  ILE  57          HD11      ILE  57  19.517   3.124  12.214
  439   HD12  ILE  57          HD12      ILE  57  20.698   2.396  13.319
  440   HD13  ILE  57          HD13      ILE  57  19.580   1.353  12.413
  441    H    SER  58           H        SER  58  16.225   2.427  17.499
  442    HA   SER  58           HA       SER  58  17.326  -0.179  18.026
  443    HB2  SER  58           HB2      SER  58  16.585   0.316  20.398
  444    HB3  SER  58           HB3      SER  58  17.809   1.349  19.701
  445    HG   SER  58           HG       SER  58  16.090   2.922  19.282
  446    H    GLY  59           H        GLY  59  16.251  -2.014  18.828
  447    HA2  GLY  59           HA2      GLY  59  14.592  -3.546  19.009
  448    HA3  GLY  59           HA3      GLY  59  13.496  -2.202  19.364
  449    H    GLN  60           H        GLN  60  14.811  -1.624  16.245
  450    HA   GLN  60           HA       GLN  60  12.352  -1.893  15.018
  451    HB2  GLN  60           HB2      GLN  60  15.170  -1.553  14.101
  452    HB3  GLN  60           HB3      GLN  60  14.170  -2.341  12.905
  453    HG2  GLN  60           HG2      GLN  60  12.446  -0.540  13.183
  454    HG3  GLN  60           HG3      GLN  60  13.513   0.240  14.388
  455   HE21  GLN  60          HE22      GLN  60  14.615  -1.122  11.147
  456   HE22  GLN  60          HE21      GLN  60  15.279   0.431  10.684
  457    H    THR  61           H        THR  61  14.915  -4.335  15.086
  458    HA   THR  61           HA       THR  61  13.098  -6.395  14.058
  459    HB   THR  61           HB       THR  61  15.043  -6.811  12.305
  460    HG1  THR  61           HG1      THR  61  15.800  -4.746  11.547
  461   HG21  THR  61          HG21      THR  61  12.618  -6.247  11.805
  462   HG22  THR  61          HG22      THR  61  13.083  -4.525  11.832
  463   HG23  THR  61          HG23      THR  61  13.785  -5.608  10.649
  464    H    SER  62           H        SER  62  14.014  -8.566  14.154
  465    HA   SER  62           HA       SER  62  16.363  -9.094  15.785
  466    HB2  SER  62           HB2      SER  62  14.830  -9.998  17.680
  467    HB3  SER  62           HB3      SER  62  15.080  -8.266  17.575
  468    HG   SER  62           HG       SER  62  12.853  -8.847  17.882
  469    H    ASP  63           H        ASP  63  15.281 -10.106  13.138
  470    HA   ASP  63           HA       ASP  63  14.828 -12.954  13.870
  471    HB2  ASP  63           HB2      ASP  63  12.907 -11.113  12.499
  472    HB3  ASP  63           HB3      ASP  63  13.076 -12.724  11.842
  473    HA   PRO  64           HA       PRO  64  17.619 -13.470  10.517
  474    HB2  PRO  64           HB2      PRO  64  17.563 -16.165  10.131
  475    HB3  PRO  64           HB3      PRO  64  18.109 -15.440  11.672
  476    HG2  PRO  64           HG2      PRO  64  15.369 -16.551  10.999
  477    HG3  PRO  64           HG3      PRO  64  16.380 -16.899  12.438
  478    HD2  PRO  64           HD2      PRO  64  14.387 -15.015  12.462
  479    HD3  PRO  64           HD3      PRO  64  15.889 -14.837  13.420
  480    H    ILE  65           H        ILE  65  17.885 -14.185   8.267
  481    HA   ILE  65           HA       ILE  65  15.765 -13.333   6.609
  482    HB   ILE  65           HB       ILE  65  18.177 -13.134   6.081
  483   HG12  ILE  65          HG12      ILE  65  16.519 -14.587   3.967
  484   HG13  ILE  65          HG13      ILE  65  16.567 -12.854   4.321
  485   HG21  ILE  65          HG21      ILE  65  18.191 -16.094   5.356
  486   HG22  ILE  65          HG22      ILE  65  19.550 -14.962   5.318
  487   HG23  ILE  65          HG23      ILE  65  18.882 -15.460   6.865
  488   HD11  ILE  65          HD11      ILE  65  17.873 -13.193   2.369
  489   HD12  ILE  65          HD12      ILE  65  19.045 -12.909   3.676
  490   HD13  ILE  65          HD13      ILE  65  18.759 -14.551   3.076
  491    H    GLU  66           H        GLU  66  16.781 -16.571   7.548
  492    HA   GLU  66           HA       GLU  66  15.269 -17.923   5.582
  493    HB2  GLU  66           HB2      GLU  66  16.555 -18.693   8.227
  494    HB3  GLU  66           HB3      GLU  66  15.670 -19.892   7.260
  495    HG2  GLU  66           HG2      GLU  66  17.161 -19.406   5.322
  496    HG3  GLU  66           HG3      GLU  66  18.086 -18.287   6.331
  497    H    ASN  67           H        ASN  67  14.216 -16.474   8.572
  498    HA   ASN  67           HA       ASN  67  11.797 -18.045   8.712
  499    HB2  ASN  67           HB2      ASN  67  11.601 -17.213  10.749
  500    HB3  ASN  67           HB3      ASN  67  13.127 -16.366  10.528
  501   HD21  ASN  67          HD21      ASN  67  13.050 -14.156   9.586
  502   HD22  ASN  67          HD22      ASN  67  11.637 -13.172   9.836
  503    H    PHE  68           H        PHE  68  12.913 -15.445   6.697
  504    HA   PHE  68           HA       PHE  68  10.193 -14.400   6.296
  505    HB2  PHE  68           HB2      PHE  68  12.913 -13.268   5.542
  506    HB3  PHE  68           HB3      PHE  68  11.384 -12.555   5.079
  507    HD1  PHE  68           HD2      PHE  68   9.651 -12.161   7.106
  508    HD2  PHE  68           HD1      PHE  68  13.922 -12.465   7.543
  509    HE1  PHE  68           HE2      PHE  68   9.533 -10.805   9.174
  510    HE2  PHE  68           HE1      PHE  68  13.802 -11.095   9.618
  511    HZ   PHE  68           HZ       PHE  68  11.612 -10.245  10.425
  512    H    ASN  69           H        ASN  69   9.693 -13.792   3.959
  513    HA   ASN  69           HA       ASN  69  10.553 -15.800   1.961
  514    HB2  ASN  69           HB2      ASN  69   8.633 -16.735   3.202
  515    HB3  ASN  69           HB3      ASN  69   7.801 -15.171   3.101
  516   HD21  ASN  69          HD22      ASN  69   7.287 -14.372   1.102
  517   HD22  ASN  69          HD21      ASN  69   6.614 -15.435  -0.165
  518    H    ALA  70           H        ALA  70  11.671 -14.058   0.871
  519    HA   ALA  70           HA       ALA  70  10.799 -11.441   0.670
  520    HB1  ALA  70           HB1      ALA  70  12.384 -13.171  -1.271
  521    HB2  ALA  70           HB2      ALA  70  12.108 -11.431  -1.505
  522    HB3  ALA  70           HB3      ALA  70  12.969 -11.976  -0.067
  523    H    ASP  71           H        ASP  71   9.674 -14.253  -1.118
  524    HA   ASP  71           HA       ASP  71   8.352 -13.078  -3.309
  525    HB2  ASP  71           HB2      ASP  71   8.253 -15.327  -3.501
  526    HB3  ASP  71           HB3      ASP  71   8.106 -15.601  -1.771
  527    H    ASP  72           H        ASP  72   7.455 -12.995   0.109
  528    HA   ASP  72           HA       ASP  72   4.710 -12.154  -0.325
  529    HB2  ASP  72           HB2      ASP  72   5.493 -13.267   1.752
  530    HB3  ASP  72           HB3      ASP  72   6.491 -11.860   2.117
  531    H    TYR  73           H        TYR  73   7.700 -10.547  -0.665
  532    HA   TYR  73           HA       TYR  73   6.685  -7.872  -0.063
  533    HB2  TYR  73           HB2      TYR  73   9.579  -8.846  -0.258
  534    HB3  TYR  73           HB3      TYR  73   9.080  -7.228   0.190
  535    HD1  TYR  73           HD2      TYR  73   8.641 -10.799   1.295
  536    HD2  TYR  73           HD1      TYR  73   9.168  -6.699   2.500
  537    HE1  TYR  73           HE2      TYR  73   8.522 -11.507   3.632
  538    HE2  TYR  73           HE1      TYR  73   9.012  -7.400   4.876
  539    HH   TYR  73           HH       TYR  73   8.365 -10.772   5.886
  540    H    ASP  74           H        ASP  74   7.787  -6.129  -1.597
  541    HA   ASP  74           HA       ASP  74   7.926  -7.266  -4.374
  542    HB2  ASP  74           HB2      ASP  74   7.290  -4.452  -3.375
  543    HB3  ASP  74           HB3      ASP  74   7.409  -4.930  -5.066
  544    H    VAL  75           H        VAL  75   9.974  -5.533  -1.998
  545    HA   VAL  75           HA       VAL  75  12.020  -5.376  -4.170
  546    HB   VAL  75           HB       VAL  75  11.104  -3.190  -2.446
  547   HG11  VAL  75          HG11      VAL  75  13.080  -1.969  -3.785
  548   HG12  VAL  75          HG12      VAL  75  13.291  -2.641  -2.186
  549   HG13  VAL  75          HG13      VAL  75  13.820  -3.573  -3.556
  550   HG21  VAL  75          HG21      VAL  75   9.786  -3.202  -4.352
  551   HG22  VAL  75          HG22      VAL  75  10.961  -1.911  -4.580
  552   HG23  VAL  75          HG23      VAL  75  11.170  -3.468  -5.415
  553    H    VAL  76           H        VAL  76  13.964  -6.106  -3.565
  554    HA   VAL  76           HA       VAL  76  14.503  -6.454  -0.664
  555    HB   VAL  76           HB       VAL  76  15.087  -8.172  -3.116
  556   HG11  VAL  76          HG11      VAL  76  16.731  -9.468  -1.937
  557   HG12  VAL  76          HG12      VAL  76  17.293  -7.828  -2.001
  558   HG13  VAL  76          HG13      VAL  76  16.600  -8.423  -0.481
  559   HG21  VAL  76          HG21      VAL  76  14.200  -9.967  -1.716
  560   HG22  VAL  76          HG22      VAL  76  14.120  -8.892  -0.301
  561   HG23  VAL  76          HG23      VAL  76  13.055  -8.625  -1.681
  562    H    ILE  77           H        ILE  77  16.103  -5.262  -0.010
  563    HA   ILE  77           HA       ILE  77  18.242  -4.462  -1.909
  564    HB   ILE  77           HB       ILE  77  17.118  -2.975   0.501
  565   HG12  ILE  77          HG12      ILE  77  15.591  -2.546  -1.279
  566   HG13  ILE  77          HG13      ILE  77  16.621  -1.142  -1.042
  567   HG21  ILE  77          HG21      ILE  77  19.399  -2.243  -1.382
  568   HG22  ILE  77          HG22      ILE  77  18.766  -1.303  -0.006
  569   HG23  ILE  77          HG23      ILE  77  19.575  -2.826   0.278
  570   HD11  ILE  77          HD11      ILE  77  16.980  -3.146  -3.299
  571   HD12  ILE  77          HD12      ILE  77  16.162  -1.603  -3.461
  572   HD13  ILE  77          HD13      ILE  77  17.904  -1.668  -3.070
  573    H    SER  78           H        SER  78  19.579  -6.254  -1.375
  574    HA   SER  78           HA       SER  78  19.808  -6.871   1.493
  575    HB2  SER  78           HB2      SER  78  21.490  -8.550   0.656
  576    HB3  SER  78           HB3      SER  78  19.780  -8.758   0.149
  577    HG   SER  78           HG       SER  78  22.057  -8.024  -1.265
  578    H    LEU  79           H        LEU  79  22.108  -6.735   2.454
  579    HA   LEU  79           HA       LEU  79  23.777  -4.664   1.216
  580    HB2  LEU  79           HB2      LEU  79  22.812  -4.473   4.109
  581    HB3  LEU  79           HB3      LEU  79  24.226  -3.655   3.435
  582    HG   LEU  79           HG       LEU  79  22.552  -2.741   1.662
  583   HD11  LEU  79          HD11      LEU  79  20.370  -2.211   2.319
  584   HD12  LEU  79          HD12      LEU  79  20.502  -3.944   2.635
  585   HD13  LEU  79          HD13      LEU  79  20.583  -2.778   3.962
  586   HD21  LEU  79          HD21      LEU  79  22.215  -0.709   3.086
  587   HD22  LEU  79          HD22      LEU  79  22.784  -1.641   4.491
  588   HD23  LEU  79          HD23      LEU  79  23.867  -1.326   3.136
  589    H    CYS  80           H        CYS  80  23.899  -7.320   1.002
  590    HA   CYS  80           HA       CYS  80  25.522  -8.482   3.162
  591    HB2  CYS  80           HB2      CYS  80  23.985  -9.702   0.814
  592    HB3  CYS  80           HB3      CYS  80  24.802 -10.629   2.092
  593    HG   CYS  80           HG       CYS  80  23.391  -9.698   4.096
  594    H    GLY  81           H        GLY  81  26.207  -6.693   0.478
  595    HA2  GLY  81           HA2      GLY  81  28.472  -6.328  -0.080
  596    HA3  GLY  81           HA3      GLY  81  28.892  -7.985   0.337
  597    H    CYS  82           H        CYS  82  26.156  -6.997  -1.686
  598    HA   CYS  82           HA       CYS  82  25.452  -7.849  -3.665
  599    HB2  CYS  82           HB2      CYS  82  26.459  -6.532  -5.452
  600    HB3  CYS  82           HB3      CYS  82  26.223  -5.599  -3.965
  601    HG   CYS  82           HG       CYS  82  29.013  -7.024  -5.069
  602    H    GLY  83           H        GLY  83  26.875 -10.014  -2.543
  603    HA2  GLY  83           HA2      GLY  83  27.140 -11.541  -5.041
  604    HA3  GLY  83           HA3      GLY  83  28.581 -11.486  -4.003
  605    H    VAL  84           H        VAL  84  25.285 -11.455  -2.698
  606    HA   VAL  84           HA       VAL  84  25.777 -13.925  -1.237
  607    HB   VAL  84           HB       VAL  84  24.911 -12.119   0.034
  608   HG11  VAL  84          HG11      VAL  84  22.609 -11.095  -0.471
  609   HG12  VAL  84          HG12      VAL  84  23.977 -10.556  -1.442
  610   HG13  VAL  84          HG13      VAL  84  22.827 -11.715  -2.119
  611   HG21  VAL  84          HG21      VAL  84  22.842 -12.998   0.987
  612   HG22  VAL  84          HG22      VAL  84  22.587 -14.045  -0.425
  613   HG23  VAL  84          HG23      VAL  84  23.981 -14.298   0.643
  614    H    ASN  85           H        ASN  85  24.595 -15.765  -1.471
  615    HA   ASN  85           HA       ASN  85  23.395 -16.164  -4.137
  616    HB2  ASN  85           HB2      ASN  85  25.287 -17.607  -3.157
  617    HB3  ASN  85           HB3      ASN  85  24.078 -18.301  -2.078
  618   HD21  ASN  85          HD22      ASN  85  24.815 -17.611  -5.528
  619   HD22  ASN  85          HD21      ASN  85  23.954 -18.987  -6.187
  620    H    LEU  86           H        LEU  86  21.626 -14.684  -3.118
  621    HA   LEU  86           HA       LEU  86  19.963 -15.659  -1.031
  622    HB2  LEU  86           HB2      LEU  86  19.234 -13.779  -3.312
  623    HB3  LEU  86           HB3      LEU  86  18.272 -14.037  -1.858
  624    HG   LEU  86           HG       LEU  86  21.082 -12.946  -1.791
  625   HD11  LEU  86          HD11      LEU  86  18.503 -11.344  -1.694
  626   HD12  LEU  86          HD12      LEU  86  20.157 -10.714  -1.563
  627   HD13  LEU  86          HD13      LEU  86  19.607 -11.425  -3.083
  628   HD21  LEU  86          HD21      LEU  86  20.258 -13.887   0.374
  629   HD22  LEU  86          HD22      LEU  86  20.501 -12.135   0.457
  630   HD23  LEU  86          HD23      LEU  86  18.855 -12.805   0.287
  631    HA   PRO  87           HA       PRO  87  17.464 -18.721  -3.273
  632    HB2  PRO  87           HB2      PRO  87  15.087 -17.660  -1.828
  633    HB3  PRO  87           HB3      PRO  87  15.698 -19.332  -1.911
  634    HG2  PRO  87           HG2      PRO  87  16.017 -17.736   0.332
  635    HG3  PRO  87           HG3      PRO  87  17.208 -18.979  -0.156
  636    HD2  PRO  87           HD2      PRO  87  17.380 -16.005  -0.464
  637    HD3  PRO  87           HD3      PRO  87  18.666 -17.212  -0.198
  638    HA   PRO  88           HA       PRO  88  15.982 -16.488  -6.564
  639    HB2  PRO  88           HB2      PRO  88  13.847 -17.890  -7.705
  640    HB3  PRO  88           HB3      PRO  88  15.575 -18.334  -7.819
  641    HG2  PRO  88           HG2      PRO  88  13.506 -19.350  -5.853
  642    HG3  PRO  88           HG3      PRO  88  14.702 -20.296  -6.793
  643    HD2  PRO  88           HD2      PRO  88  15.158 -19.640  -4.207
  644    HD3  PRO  88           HD3      PRO  88  16.489 -19.580  -5.402
  645    H    GLU  89           H        GLU  89  13.400 -16.953  -4.176
  646    HA   GLU  89           HA       GLU  89  11.496 -15.221  -5.375
  647    HB2  GLU  89           HB2      GLU  89  10.569 -15.152  -3.079
  648    HB3  GLU  89           HB3      GLU  89  10.796 -16.782  -3.733
  649    HG2  GLU  89           HG2      GLU  89  12.842 -17.055  -2.378
  650    HG3  GLU  89           HG3      GLU  89  12.648 -15.422  -1.738
  651    H    TRP  90           H        TRP  90  14.423 -14.674  -3.585
  652    HA   TRP  90           HA       TRP  90  13.886 -11.957  -2.837
  653    HB2  TRP  90           HB2      TRP  90  16.435 -13.574  -3.026
  654    HB3  TRP  90           HB3      TRP  90  16.354 -11.943  -2.405
  655    HD1  TRP  90           HD1      TRP  90  15.066 -15.474  -1.459
  656    HE1  TRP  90           HE1      TRP  90  14.501 -15.540   1.046
  657    HE3  TRP  90           HE3      TRP  90  16.013 -10.663  -0.327
  658    HZ2  TRP  90           HZ2      TRP  90  14.130 -13.588   3.184
  659    HZ3  TRP  90           HZ3      TRP  90  15.472  -9.683   1.851
  660    HH2  TRP  90           HH2      TRP  90  14.463 -11.155   3.643
  661    H    VAL  91           H        VAL  91  14.531 -13.327  -5.938
  662    HA   VAL  91           HA       VAL  91  15.560 -10.721  -6.842
  663    HB   VAL  91           HB       VAL  91  16.675 -11.800  -8.635
  664   HG11  VAL  91          HG11      VAL  91  17.462 -13.214  -6.034
  665   HG12  VAL  91          HG12      VAL  91  18.519 -12.751  -7.382
  666   HG13  VAL  91          HG13      VAL  91  17.792 -11.505  -6.359
  667   HG21  VAL  91          HG21      VAL  91  15.231 -13.858  -8.880
  668   HG22  VAL  91          HG22      VAL  91  16.978 -14.121  -8.957
  669   HG23  VAL  91          HG23      VAL  91  16.107 -14.526  -7.481
  670    H    THR  92           H        THR  92  12.841 -12.877  -7.121
  671    HA   THR  92           HA       THR  92  12.012 -11.944  -9.725
  672    HB   THR  92           HB       THR  92   9.873 -13.127  -9.001
  673    HG1  THR  92           HG1      THR  92   9.854 -14.107  -7.053
  674   HG21  THR  92          HG21      THR  92  12.585 -14.534  -8.797
  675   HG22  THR  92          HG22      THR  92  11.028 -15.371  -9.026
  676   HG23  THR  92          HG23      THR  92  11.645 -14.255 -10.265
  677    H    GLN  93           H        GLN  93  11.981 -10.536  -6.676
  678    HA   GLN  93           HA       GLN  93  10.015  -8.764  -6.309
  679    HB2  GLN  93           HB2      GLN  93  13.050  -8.449  -6.278
  680    HB3  GLN  93           HB3      GLN  93  11.925  -7.468  -5.324
  681    HG2  GLN  93           HG2      GLN  93  12.454 -10.451  -4.951
  682    HG3  GLN  93           HG3      GLN  93  13.074  -9.134  -3.977
  683   HE21  GLN  93          HE22      GLN  93  10.598 -11.380  -4.316
  684   HE22  GLN  93          HE21      GLN  93   9.506 -10.663  -3.126
  685    H    GLU  94           H        GLU  94   9.875  -6.451  -6.814
  686    HA   GLU  94           HA       GLU  94  10.070  -5.727  -9.566
  687    HB2  GLU  94           HB2      GLU  94   8.237  -4.823  -8.424
  688    HB3  GLU  94           HB3      GLU  94   9.152  -4.576  -6.948
  689    HG2  GLU  94           HG2      GLU  94   8.583  -2.477  -7.815
  690    HG3  GLU  94           HG3      GLU  94  10.320  -2.725  -7.800
  691    H    ILE  95           H        ILE  95  11.924  -5.219  -6.556
  692    HA   ILE  95           HA       ILE  95  14.219  -4.304  -8.240
  693    HB   ILE  95           HB       ILE  95  13.354  -3.294  -5.569
  694   HG12  ILE  95          HG12      ILE  95  12.378  -2.055  -7.383
  695   HG13  ILE  95          HG13      ILE  95  13.439  -1.099  -6.313
  696   HG21  ILE  95          HG21      ILE  95  15.490  -1.874  -5.585
  697   HG22  ILE  95          HG22      ILE  95  15.730  -3.587  -5.277
  698   HG23  ILE  95          HG23      ILE  95  16.072  -2.915  -6.888
  699   HD11  ILE  95          HD11      ILE  95  14.262  -2.132  -9.067
  700   HD12  ILE  95          HD12      ILE  95  13.597  -0.515  -8.751
  701   HD13  ILE  95          HD13      ILE  95  15.143  -0.979  -8.023
  702    H    PHE  96           H        PHE  96  16.045  -5.387  -7.810
  703    HA   PHE  96           HA       PHE  96  16.467  -6.630  -5.217
  704    HB2  PHE  96           HB2      PHE  96  16.007  -8.687  -6.167
  705    HB3  PHE  96           HB3      PHE  96  16.674  -8.239  -7.753
  706    HD1  PHE  96           HD2      PHE  96  18.012  -8.082  -4.175
  707    HD2  PHE  96           HD1      PHE  96  18.668  -9.393  -8.243
  708    HE1  PHE  96           HE2      PHE  96  20.312  -8.726  -3.598
  709    HE2  PHE  96           HE1      PHE  96  20.948 -10.137  -7.613
  710    HZ   PHE  96           HZ       PHE  96  21.780  -9.805  -5.296
  711    H    GLU  97           H        GLU  97  18.071  -5.483  -4.567
  712    HA   GLU  97           HA       GLU  97  20.382  -4.853  -6.281
  713    HB2  GLU  97           HB2      GLU  97  18.625  -2.904  -4.770
  714    HB3  GLU  97           HB3      GLU  97  20.356  -2.594  -4.902
  715    HG2  GLU  97           HG2      GLU  97  20.193  -2.535  -7.328
  716    HG3  GLU  97           HG3      GLU  97  18.471  -2.952  -7.256
  717    H    ASP  98           H        ASP  98  22.145  -4.144  -4.714
  718    HA   ASP  98           HA       ASP  98  21.750  -4.993  -1.992
  719    HB2  ASP  98           HB2      ASP  98  22.535  -7.070  -2.959
  720    HB3  ASP  98           HB3      ASP  98  23.959  -6.244  -3.609
  721    H    TRP  99           H        TRP  99  22.511  -3.367  -0.813
  722    HA   TRP  99           HA       TRP  99  24.365  -1.405  -2.059
  723    HB2  TRP  99           HB2      TRP  99  22.530  -1.136   0.349
  724    HB3  TRP  99           HB3      TRP  99  23.526   0.123  -0.326
  725    HD1  TRP  99           HD1      TRP  99  22.420  -1.015  -3.456
  726    HE1  TRP  99           HE1      TRP  99  20.167  -0.117  -4.210
  727    HE3  TRP  99           HE3      TRP  99  20.804   0.826   1.031
  728    HZ2  TRP  99           HZ2      TRP  99  17.741   0.917  -2.901
  729    HZ3  TRP  99           HZ3      TRP  99  18.493   1.736   1.239
  730    HH2  TRP  99           HH2      TRP  99  16.972   1.723  -0.706
  731    H    GLN 100           H        GLN 100  26.053  -2.897  -1.824
  732    HA   GLN 100           HA       GLN 100  27.132  -4.143   0.363
  733    HB2  GLN 100           HB2      GLN 100  29.171  -4.208  -0.890
  734    HB3  GLN 100           HB3      GLN 100  27.764  -4.548  -1.894
  735    HG2  GLN 100           HG2      GLN 100  29.273  -1.895  -1.807
  736    HG3  GLN 100           HG3      GLN 100  29.573  -3.175  -2.973
  737   HE21  GLN 100          HE22      GLN 100  27.686  -3.832  -4.401
  738   HE22  GLN 100          HE21      GLN 100  26.520  -2.601  -4.851
  739    H    LEU 101           H        LEU 101  26.539  -1.166   1.099
  740    HA   LEU 101           HA       LEU 101  28.938   0.312   0.999
  741    HB2  LEU 101           HB2      LEU 101  26.312   0.638   2.505
  742    HB3  LEU 101           HB3      LEU 101  27.648   1.687   2.908
  743    HG   LEU 101           HG       LEU 101  25.991   2.678   1.349
  744   HD11  LEU 101          HD11      LEU 101  27.653   3.768  -0.082
  745   HD12  LEU 101          HD12      LEU 101  28.303   3.554   1.553
  746   HD13  LEU 101          HD13      LEU 101  28.829   2.482   0.240
  747   HD21  LEU 101          HD21      LEU 101  25.958   2.127  -0.996
  748   HD22  LEU 101          HD22      LEU 101  27.214   0.887  -0.796
  749   HD23  LEU 101          HD23      LEU 101  25.611   0.656  -0.073
  750    H    GLU 102           H        GLU 102  30.654   0.410   2.200
  751    HA   GLU 102           HA       GLU 102  32.201   0.112   3.745
  752    HB2  GLU 102           HB2      GLU 102  30.233   1.971   4.470
  753    HB3  GLU 102           HB3      GLU 102  30.523   1.102   5.957
  754    HG2  GLU 102           HG2      GLU 102  32.620   2.402   4.161
  755    HG3  GLU 102           HG3      GLU 102  32.015   3.091   5.647
  756    H    ASP 103           H        ASP 103  32.003  -0.307   6.540
  757    HA   ASP 103           HA       ASP 103  30.936  -2.932   7.192
  758    HB2  ASP 103           HB2      ASP 103  32.920  -3.529   5.787
  759    HB3  ASP 103           HB3      ASP 103  33.941  -2.572   6.855
  760    HA   PRO 104           HA       PRO 104  31.545   0.501  10.158
  761    HB2  PRO 104           HB2      PRO 104  29.000  -0.424  11.422
  762    HB3  PRO 104           HB3      PRO 104  29.510   1.227  10.957
  763    HG2  PRO 104           HG2      PRO 104  27.723  -0.193   9.466
  764    HG3  PRO 104           HG3      PRO 104  28.947   0.879   8.710
  765    HD2  PRO 104           HD2      PRO 104  29.051  -2.140   9.022
  766    HD3  PRO 104           HD3      PRO 104  29.458  -1.113   7.606
  767    H    ASP 105           H        ASP 105  31.341  -2.869  10.797
  768    HA   ASP 105           HA       ASP 105  31.666  -4.173  12.739
  769    HB2  ASP 105           HB2      ASP 105  33.605  -4.162  11.300
  770    HB3  ASP 105           HB3      ASP 105  34.196  -2.676  12.020
  771    H    GLY 106           H        GLY 106  34.039  -1.895  13.809
  772    HA2  GLY 106           HA2      GLY 106  32.407  -0.850  16.054
  773    HA3  GLY 106           HA3      GLY 106  33.958  -1.644  16.414
  774    H    GLN 107           H        GLN 107  32.898   0.473  13.746
  775    HA   GLN 107           HA       GLN 107  35.395   1.802  13.448
  776    HB2  GLN 107           HB2      GLN 107  32.595   2.074  12.303
  777    HB3  GLN 107           HB3      GLN 107  33.770   3.300  11.924
  778    HG2  GLN 107           HG2      GLN 107  34.686   0.484  11.579
  779    HG3  GLN 107           HG3      GLN 107  33.503   1.128  10.429
  780   HE21  GLN 107          HE22      GLN 107  34.542   1.626   8.545
  781   HE22  GLN 107          HE21      GLN 107  36.046   2.524   8.482
  782    H    SER 108           H        SER 108  35.383   4.153  13.029
  783    HA   SER 108           HA       SER 108  35.046   5.686  15.458
  784    HB2  SER 108           HB2      SER 108  35.608   6.644  12.615
  785    HB3  SER 108           HB3      SER 108  35.887   7.558  14.112
  786    HG   SER 108           HG       SER 108  37.822   6.566  13.365
  787    H    LEU 109           H        LEU 109  33.543   7.473  15.756
  788    HA   LEU 109           HA       LEU 109  30.878   6.999  14.972
  789    HB2  LEU 109           HB2      LEU 109  32.124   9.672  15.783
  790    HB3  LEU 109           HB3      LEU 109  30.405   9.323  15.702
  791    HG   LEU 109           HG       LEU 109  32.408   8.222  17.694
  792   HD11  LEU 109          HD11      LEU 109  30.907   9.373  19.310
  793   HD12  LEU 109          HD12      LEU 109  31.568  10.494  18.111
  794   HD13  LEU 109          HD13      LEU 109  29.890   9.938  17.971
  795   HD21  LEU 109          HD21      LEU 109  29.508   7.393  17.286
  796   HD22  LEU 109          HD22      LEU 109  30.949   6.355  17.182
  797   HD23  LEU 109          HD23      LEU 109  30.463   7.040  18.742
  798    H    GLU 110           H        GLU 110  33.359   8.994  13.423
  799    HA   GLU 110           HA       GLU 110  31.663  10.403  11.636
  800    HB2  GLU 110           HB2      GLU 110  34.559   9.487  11.246
  801    HB3  GLU 110           HB3      GLU 110  33.720  10.688  10.247
  802    HG2  GLU 110           HG2      GLU 110  33.288  12.030  12.301
  803    HG3  GLU 110           HG3      GLU 110  34.298  10.885  13.212
  804    H    VAL 111           H        VAL 111  33.033   7.079  11.399
  805    HA   VAL 111           HA       VAL 111  32.112   6.963   8.676
  806    HB   VAL 111           HB       VAL 111  32.993   4.678  10.474
  807   HG11  VAL 111          HG11      VAL 111  33.494   3.611   8.205
  808   HG12  VAL 111          HG12      VAL 111  31.783   3.825   8.567
  809   HG13  VAL 111          HG13      VAL 111  32.613   4.945   7.454
  810   HG21  VAL 111          HG21      VAL 111  34.605   6.382   8.502
  811   HG22  VAL 111          HG22      VAL 111  34.845   6.306  10.259
  812   HG23  VAL 111          HG23      VAL 111  35.194   4.895   9.274
  813    H    PHE 112           H        PHE 112  30.842   5.835  11.892
  814    HA   PHE 112           HA       PHE 112  28.494   4.675  10.833
  815    HB2  PHE 112           HB2      PHE 112  28.950   6.151  13.466
  816    HB3  PHE 112           HB3      PHE 112  27.401   5.451  13.007
  817    HD1  PHE 112           HD2      PHE 112  27.014   3.086  12.690
  818    HD2  PHE 112           HD1      PHE 112  30.762   4.620  14.191
  819    HE1  PHE 112           HE2      PHE 112  27.595   0.836  13.564
  820    HE2  PHE 112           HE1      PHE 112  31.323   2.365  15.059
  821    HZ   PHE 112           HZ       PHE 112  29.765   0.481  14.746
  822    H    ARG 113           H        ARG 113  29.149   8.183  11.502
  823    HA   ARG 113           HA       ARG 113  26.602   9.152  10.591
  824    HB2  ARG 113           HB2      ARG 113  29.371  10.468  10.448
  825    HB3  ARG 113           HB3      ARG 113  27.879  11.269  10.013
  826    HG2  ARG 113           HG2      ARG 113  27.031  10.850  12.363
  827    HG3  ARG 113           HG3      ARG 113  28.661  10.269  12.774
  828    HD2  ARG 113           HD2      ARG 113  29.644  12.423  12.226
  829    HD3  ARG 113           HD3      ARG 113  28.120  13.004  11.556
  830    HE   ARG 113           HE       ARG 113  27.104  13.072  13.687
  831   HH11  ARG 113          HH21      ARG 113  30.641  12.547  13.934
  832   HH12  ARG 113          HH22      ARG 113  30.742  13.192  15.531
  833   HH21  ARG 113          HH11      ARG 113  27.275  13.996  15.700
  834   HH22  ARG 113          HH12      ARG 113  28.776  14.005  16.596
  835    H    THR 114           H        THR 114  29.651   8.580   8.783
  836    HA   THR 114           HA       THR 114  28.654   9.742   6.392
  837    HB   THR 114           HB       THR 114  30.940   7.775   6.866
  838    HG1  THR 114           HG1      THR 114  31.288   9.642   7.996
  839   HG21  THR 114          HG21      THR 114  30.466   7.790   4.492
  840   HG22  THR 114          HG22      THR 114  30.379   9.566   4.464
  841   HG23  THR 114          HG23      THR 114  31.926   8.746   4.779
  842    H    VAL 115           H        VAL 115  28.715   6.364   7.578
  843    HA   VAL 115           HA       VAL 115  28.052   5.162   5.025
  844    HB   VAL 115           HB       VAL 115  27.893   4.139   7.897
  845   HG11  VAL 115          HG11      VAL 115  27.789   1.858   6.846
  846   HG12  VAL 115          HG12      VAL 115  26.324   2.786   6.541
  847   HG13  VAL 115          HG13      VAL 115  27.545   2.613   5.260
  848   HG21  VAL 115          HG21      VAL 115  29.943   2.941   7.179
  849   HG22  VAL 115          HG22      VAL 115  29.800   3.730   5.569
  850   HG23  VAL 115          HG23      VAL 115  30.170   4.676   6.974
  851    H    ARG 116           H        ARG 116  26.215   6.053   7.971
  852    HA   ARG 116           HA       ARG 116  23.564   5.589   7.206
  853    HB2  ARG 116           HB2      ARG 116  24.183   6.287   9.413
  854    HB3  ARG 116           HB3      ARG 116  25.081   7.652   8.809
  855    HG2  ARG 116           HG2      ARG 116  22.744   8.625   8.097
  856    HG3  ARG 116           HG3      ARG 116  22.134   7.419   9.250
  857    HD2  ARG 116           HD2      ARG 116  22.470   9.207  10.624
  858    HD3  ARG 116           HD3      ARG 116  24.073   8.376  10.760
  859    HE   ARG 116           HE       ARG 116  24.286  10.200   8.635
  860   HH11  ARG 116          HH21      ARG 116  23.693  10.505  12.153
  861   HH12  ARG 116          HH22      ARG 116  24.641  11.936  12.308
  862   HH21  ARG 116          HH11      ARG 116  25.325  12.256   8.842
  863   HH22  ARG 116          HH12      ARG 116  25.424  13.014  10.388
  864    H    GLY 117           H        GLY 117  25.514   8.614   6.485
  865    HA2  GLY 117           HA2      GLY 117  23.412   9.834   5.033
  866    HA3  GLY 117           HA3      GLY 117  25.140  10.214   4.861
  867    H    GLN 118           H        GLN 118  26.099   7.745   3.885
  868    HA   GLN 118           HA       GLN 118  25.455   7.966   1.135
  869    HB2  GLN 118           HB2      GLN 118  26.893   5.772   2.694
  870    HB3  GLN 118           HB3      GLN 118  26.875   5.896   0.922
  871    HG2  GLN 118           HG2      GLN 118  27.881   8.122   1.026
  872    HG3  GLN 118           HG3      GLN 118  27.862   8.107   2.772
  873   HE21  GLN 118          HE22      GLN 118  30.202   8.286   0.818
  874   HE22  GLN 118          HE21      GLN 118  31.280   7.010   1.338
  875    H    VAL 119           H        VAL 119  24.349   5.748   3.653
  876    HA   VAL 119           HA       VAL 119  22.764   4.042   1.955
  877    HB   VAL 119           HB       VAL 119  22.663   4.713   4.933
  878   HG11  VAL 119          HG11      VAL 119  21.191   2.781   5.231
  879   HG12  VAL 119          HG12      VAL 119  20.402   4.103   4.355
  880   HG13  VAL 119          HG13      VAL 119  20.980   2.676   3.459
  881   HG21  VAL 119          HG21      VAL 119  24.609   3.286   4.017
  882   HG22  VAL 119          HG22      VAL 119  23.584   2.448   5.198
  883   HG23  VAL 119          HG23      VAL 119  23.396   2.121   3.461
  884    H    LYS 120           H        LYS 120  22.066   7.160   3.718
  885    HA   LYS 120           HA       LYS 120  19.312   7.038   3.210
  886    HB2  LYS 120           HB2      LYS 120  19.131   9.064   4.134
  887    HB3  LYS 120           HB3      LYS 120  20.699   8.603   4.751
  888    HG2  LYS 120           HG2      LYS 120  21.767  10.347   3.820
  889    HG3  LYS 120           HG3      LYS 120  20.963  10.244   2.288
  890    HD2  LYS 120           HD2      LYS 120  19.641  11.321   4.811
  891    HD3  LYS 120           HD3      LYS 120  20.462  12.345   3.640
  892    HE2  LYS 120           HE2      LYS 120  18.254  10.476   2.689
  893    HE3  LYS 120           HE3      LYS 120  17.817  11.959   3.542
  894    HZ1  LYS 120           HZ1      LYS 120  18.891  13.249   1.855
  895    HZ2  LYS 120           HZ2      LYS 120  19.506  11.938   1.088
  896    HZ3  LYS 120           HZ3      LYS 120  17.884  12.195   1.105
  897    H    GLU 121           H        GLU 121  21.891   8.321   1.140
  898    HA   GLU 121           HA       GLU 121  20.093   9.286  -0.869
  899    HB2  GLU 121           HB2      GLU 121  22.996   8.323  -1.087
  900    HB3  GLU 121           HB3      GLU 121  22.107   9.109  -2.396
  901    HG2  GLU 121           HG2      GLU 121  22.840  10.334   0.288
  902    HG3  GLU 121           HG3      GLU 121  23.561  10.694  -1.278
  903    H    ARG 122           H        ARG 122  21.670   6.031  -0.410
  904    HA   ARG 122           HA       ARG 122  20.576   4.993  -2.872
  905    HB2  ARG 122           HB2      ARG 122  21.563   3.651  -0.315
  906    HB3  ARG 122           HB3      ARG 122  20.758   2.791  -1.619
  907    HG2  ARG 122           HG2      ARG 122  23.019   2.469  -2.021
  908    HG3  ARG 122           HG3      ARG 122  22.419   3.596  -3.249
  909    HD2  ARG 122           HD2      ARG 122  23.381   5.476  -1.943
  910    HD3  ARG 122           HD3      ARG 122  24.033   4.287  -0.772
  911    HE   ARG 122           HE       ARG 122  24.956   3.464  -3.259
  912   HH11  ARG 122          HH11      ARG 122  25.229   6.477  -1.391
  913   HH12  ARG 122          HH12      ARG 122  26.752   6.933  -2.076
  914   HH21  ARG 122          HH21      ARG 122  27.003   4.045  -4.139
  915   HH22  ARG 122          HH22      ARG 122  27.800   5.496  -3.653
  916    H    VAL 123           H        VAL 123  19.322   4.972   0.518
  917    HA   VAL 123           HA       VAL 123  16.902   3.707   0.045
  918    HB   VAL 123           HB       VAL 123  17.638   5.953   1.895
  919   HG11  VAL 123          HG11      VAL 123  15.132   4.282   1.860
  920   HG12  VAL 123          HG12      VAL 123  15.696   5.234   3.259
  921   HG13  VAL 123          HG13      VAL 123  15.272   6.058   1.762
  922   HG21  VAL 123          HG21      VAL 123  18.809   3.706   2.238
  923   HG22  VAL 123          HG22      VAL 123  17.883   4.291   3.607
  924   HG23  VAL 123          HG23      VAL 123  17.198   3.022   2.582
  925    H    GLU 124           H        GLU 124  17.595   7.219  -0.235
  926    HA   GLU 124           HA       GLU 124  14.986   7.850  -1.080
  927    HB2  GLU 124           HB2      GLU 124  16.547   9.285   0.009
  928    HB3  GLU 124           HB3      GLU 124  17.592   9.341  -1.446
  929    HG2  GLU 124           HG2      GLU 124  15.692  10.301  -2.702
  930    HG3  GLU 124           HG3      GLU 124  14.689  10.222  -1.233
  931    H    ASN 125           H        ASN 125  17.855   6.908  -2.940
  932    HA   ASN 125           HA       ASN 125  16.796   7.373  -5.538
  933    HB2  ASN 125           HB2      ASN 125  18.950   5.597  -4.421
  934    HB3  ASN 125           HB3      ASN 125  18.356   5.271  -6.036
  935   HD21  ASN 125          HD22      ASN 125  19.869   7.840  -4.048
  936   HD22  ASN 125          HD21      ASN 125  20.551   8.716  -5.413
  937    H    LEU 126           H        LEU 126  16.675   4.462  -3.424
  938    HA   LEU 126           HA       LEU 126  15.155   2.849  -5.239
  939    HB2  LEU 126           HB2      LEU 126  15.848   1.500  -3.665
  940    HB3  LEU 126           HB3      LEU 126  15.942   2.751  -2.421
  941    HG   LEU 126           HG       LEU 126  13.194   1.869  -3.019
  942   HD11  LEU 126          HD11      LEU 126  14.964  -0.106  -1.653
  943   HD12  LEU 126          HD12      LEU 126  13.241  -0.269  -2.020
  944   HD13  LEU 126          HD13      LEU 126  14.421  -0.247  -3.346
  945   HD21  LEU 126          HD21      LEU 126  13.799   3.267  -1.024
  946   HD22  LEU 126          HD22      LEU 126  12.975   1.759  -0.596
  947   HD23  LEU 126          HD23      LEU 126  14.731   1.897  -0.400
  948    H    ILE 127           H        ILE 127  14.178   5.081  -2.700
  949    HA   ILE 127           HA       ILE 127  11.342   4.811  -2.940
  950    HB   ILE 127           HB       ILE 127  13.337   6.767  -1.887
  951   HG12  ILE 127          HG12      ILE 127  10.882   5.874  -0.393
  952   HG13  ILE 127          HG13      ILE 127  11.961   4.572  -0.893
  953   HG21  ILE 127          HG21      ILE 127  11.592   8.296  -1.023
  954   HG22  ILE 127          HG22      ILE 127  11.918   8.428  -2.751
  955   HG23  ILE 127          HG23      ILE 127  10.458   7.587  -2.194
  956   HD11  ILE 127          HD11      ILE 127  13.646   5.202   0.403
  957   HD12  ILE 127          HD12      ILE 127  13.298   6.943   0.377
  958   HD13  ILE 127          HD13      ILE 127  12.326   5.820   1.400
  959    H    ALA 128           H        ALA 128  13.666   6.974  -4.688
  960    HA   ALA 128           HA       ALA 128  11.694   8.352  -6.137
  961    HB1  ALA 128           HB1      ALA 128  14.527   7.709  -7.059
  962    HB2  ALA 128           HB2      ALA 128  13.499   9.040  -7.622
  963    HB3  ALA 128           HB3      ALA 128  14.099   9.033  -5.949
  964    H    LYS 129           H        LYS 129  12.998   5.093  -6.718
  965    HA   LYS 129           HA       LYS 129  11.842   4.885  -9.340
  966    HB2  LYS 129           HB2      LYS 129  12.695   2.680  -7.428
  967    HB3  LYS 129           HB3      LYS 129  12.380   2.505  -9.155
  968    HG2  LYS 129           HG2      LYS 129  14.293   3.890  -9.730
  969    HG3  LYS 129           HG3      LYS 129  14.557   4.305  -8.030
  970    HD2  LYS 129           HD2      LYS 129  14.908   1.930  -7.486
  971    HD3  LYS 129           HD3      LYS 129  14.819   1.553  -9.235
  972    HE2  LYS 129           HE2      LYS 129  16.635   3.417  -9.485
  973    HE3  LYS 129           HE3      LYS 129  16.853   3.252  -7.734
  974    HZ1  LYS 129           HZ1      LYS 129  17.234   1.077  -9.737
  975    HZ2  LYS 129           HZ2      LYS 129  18.427   1.882  -8.976
  976    HZ3  LYS 129           HZ3      LYS 129  17.455   0.887  -8.119
  977    H    ILE 130           H        ILE 130  10.815   3.906  -6.026
  978    HA   ILE 130           HA       ILE 130   8.465   2.631  -7.163
  979    HB   ILE 130           HB       ILE 130   8.226   1.755  -4.841
  980   HG12  ILE 130          HG12      ILE 130  10.733   3.178  -4.248
  981   HG13  ILE 130          HG13      ILE 130   9.243   3.087  -3.350
  982   HG21  ILE 130          HG21      ILE 130  10.849   1.010  -6.173
  983   HG22  ILE 130          HG22      ILE 130   9.704  -0.045  -5.290
  984   HG23  ILE 130          HG23      ILE 130   9.252   0.601  -6.852
  985   HD11  ILE 130          HD11      ILE 130   9.741   0.612  -2.942
  986   HD12  ILE 130          HD12      ILE 130  11.326   0.881  -3.676
  987   HD13  ILE 130          HD13      ILE 130  10.884   1.752  -2.190
  988    H    SER 131           H        SER 131   9.032   5.348  -4.922
  989    HA   SER 131           HA       SER 131   6.340   5.362  -4.010
  990    HB2  SER 131           HB2      SER 131   8.505   7.484  -3.863
  991    HB3  SER 131           HB3      SER 131   7.002   7.453  -2.929
  992    HG   SER 131           HG       SER 131   8.622   6.486  -1.660
  Start of MODEL    7
    1    H    MET   1           H        MET   1   1.803  -2.654   0.568
    2    HA   MET   1           HA       MET   1   1.808  -1.438  -2.114
    3    HB2  MET   1           HB2      MET   1   1.577  -0.017   0.161
    4    HB3  MET   1           HB3      MET   1   3.312  -0.279   0.257
    5    HG2  MET   1           HG2      MET   1   2.787   1.843  -0.776
    6    HG3  MET   1           HG3      MET   1   3.553   0.798  -1.971
    7    HE1  MET   1           HE1      MET   1   1.018   3.187  -3.930
    8    HE2  MET   1           HE2      MET   1   1.703   3.612  -2.351
    9    HE3  MET   1           HE3      MET   1   2.729   2.840  -3.585
   10    H    LYS   2           H        LYS   2   4.215  -1.226  -3.038
   11    HA   LYS   2           HA       LYS   2   5.227  -3.848  -2.975
   12    HB2  LYS   2           HB2      LYS   2   7.290  -3.044  -4.114
   13    HB3  LYS   2           HB3      LYS   2   5.773  -2.688  -4.946
   14    HG2  LYS   2           HG2      LYS   2   7.516  -0.848  -3.388
   15    HG3  LYS   2           HG3      LYS   2   7.588  -1.090  -5.113
   16    HD2  LYS   2           HD2      LYS   2   5.174  -0.394  -5.353
   17    HD3  LYS   2           HD3      LYS   2   5.199   0.159  -3.668
   18    HE2  LYS   2           HE2      LYS   2   6.817   1.853  -4.121
   19    HE3  LYS   2           HE3      LYS   2   7.223   1.102  -5.692
   20    HZ1  LYS   2           HZ1      LYS   2   4.944   1.753  -6.437
   21    HZ2  LYS   2           HZ2      LYS   2   4.678   2.503  -4.989
   22    HZ3  LYS   2           HZ3      LYS   2   5.817   3.068  -6.022
   23    H    LYS   3           H        LYS   3   6.532  -4.992  -1.696
   24    HA   LYS   3           HA       LYS   3   7.316  -3.567   0.767
   25    HB2  LYS   3           HB2      LYS   3   7.510  -6.530   0.414
   26    HB3  LYS   3           HB3      LYS   3   7.298  -5.592   1.884
   27    HG2  LYS   3           HG2      LYS   3   4.950  -5.070   1.141
   28    HG3  LYS   3           HG3      LYS   3   5.223  -6.073  -0.297
   29    HD2  LYS   3           HD2      LYS   3   3.933  -7.249   1.428
   30    HD3  LYS   3           HD3      LYS   3   5.449  -8.060   1.020
   31    HE2  LYS   3           HE2      LYS   3   6.515  -7.359   3.036
   32    HE3  LYS   3           HE3      LYS   3   5.180  -6.263   3.458
   33    HZ1  LYS   3           HZ1      LYS   3   3.764  -8.209   3.771
   34    HZ2  LYS   3           HZ2      LYS   3   4.957  -9.238   3.309
   35    HZ3  LYS   3           HZ3      LYS   3   5.103  -8.372   4.692
   36    H    VAL   4           H        VAL   4   9.338  -3.454   1.532
   37    HA   VAL   4           HA       VAL   4  11.499  -4.482  -0.206
   38    HB   VAL   4           HB       VAL   4  11.704  -2.020   1.509
   39   HG11  VAL   4          HG11      VAL   4  13.871  -2.880   0.966
   40   HG12  VAL   4          HG12      VAL   4  13.419  -3.235  -0.688
   41   HG13  VAL   4          HG13      VAL   4  13.592  -1.545  -0.128
   42   HG21  VAL   4          HG21      VAL   4  11.477  -0.701  -0.657
   43   HG22  VAL   4          HG22      VAL   4  10.840  -2.180  -1.410
   44   HG23  VAL   4          HG23      VAL   4   9.980  -1.428  -0.068
   45    H    MET   5           H        MET   5  13.491  -5.103   0.905
   46    HA   MET   5           HA       MET   5  13.249  -5.586   3.819
   47    HB2  MET   5           HB2      MET   5  12.574  -7.626   2.559
   48    HB3  MET   5           HB3      MET   5  14.124  -7.554   1.685
   49    HG2  MET   5           HG2      MET   5  14.215  -9.196   3.514
   50    HG3  MET   5           HG3      MET   5  15.366  -7.886   3.746
   51    HE1  MET   5           HE1      MET   5  11.450  -8.277   4.525
   52    HE2  MET   5           HE2      MET   5  12.267  -9.788   4.994
   53    HE3  MET   5           HE3      MET   5  11.565  -8.736   6.236
   54    H    PHE   6           H        PHE   6  15.135  -5.013   4.792
   55    HA   PHE   6           HA       PHE   6  17.518  -4.531   3.086
   56    HB2  PHE   6           HB2      PHE   6  16.654  -3.157   5.633
   57    HB3  PHE   6           HB3      PHE   6  18.196  -2.892   4.796
   58    HD1  PHE   6           HD1      PHE   6  14.539  -2.457   4.632
   59    HD2  PHE   6           HD2      PHE   6  18.273  -1.663   2.650
   60    HE1  PHE   6           HE1      PHE   6  13.348  -1.135   2.963
   61    HE2  PHE   6           HE2      PHE   6  17.084  -0.166   1.065
   62    HZ   PHE   6           HZ       PHE   6  14.636   0.150   1.228
   63    H    VAL   7           H        VAL   7  18.980  -6.234   3.444
   64    HA   VAL   7           HA       VAL   7  18.607  -7.907   5.888
   65    HB   VAL   7           HB       VAL   7  20.299  -8.554   3.454
   66   HG11  VAL   7          HG11      VAL   7  19.899 -10.876   4.022
   67   HG12  VAL   7          HG12      VAL   7  20.658 -10.029   5.365
   68   HG13  VAL   7          HG13      VAL   7  18.922 -10.400   5.425
   69   HG21  VAL   7          HG21      VAL   7  17.327  -9.145   3.764
   70   HG22  VAL   7          HG22      VAL   7  18.023  -8.062   2.541
   71   HG23  VAL   7          HG23      VAL   7  18.380  -9.786   2.488
   72    H    CYS   8           H        CYS   8  20.306  -8.151   7.439
   73    HA   CYS   8           HA       CYS   8  22.946  -6.923   6.708
   74    HB2  CYS   8           HB2      CYS   8  21.341  -5.792   8.544
   75    HB3  CYS   8           HB3      CYS   8  21.984  -7.068   9.576
   76    HG   CYS   8           HG       CYS   8  23.373  -4.886  10.020
   77    H    LYS   9           H        LYS   9  24.808  -7.882   7.627
   78    HA   LYS   9           HA       LYS   9  24.552 -10.445   9.104
   79    HB2  LYS   9           HB2      LYS   9  24.823 -10.807   6.542
   80    HB3  LYS   9           HB3      LYS   9  26.440 -10.136   6.728
   81    HG2  LYS   9           HG2      LYS   9  26.530 -12.021   8.709
   82    HG3  LYS   9           HG3      LYS   9  25.238 -12.713   7.759
   83    HD2  LYS   9           HD2      LYS   9  27.353 -13.721   7.130
   84    HD3  LYS   9           HD3      LYS   9  26.704 -12.812   5.775
   85    HE2  LYS   9           HE2      LYS   9  29.147 -12.551   5.997
   86    HE3  LYS   9           HE3      LYS   9  28.313 -11.005   6.118
   87    HZ1  LYS   9           HZ1      LYS   9  28.649 -11.032   8.513
   88    HZ2  LYS   9           HZ2      LYS   9  29.287 -12.558   8.462
   89    HZ3  LYS   9           HZ3      LYS   9  30.087 -11.310   7.788
   90    H    ARG  10           H        ARG  10  25.045  -7.872  10.093
   91    HA   ARG  10           HA       ARG  10  27.742  -7.849  11.179
   92    HB2  ARG  10           HB2      ARG  10  28.212  -6.844   9.008
   93    HB3  ARG  10           HB3      ARG  10  26.749  -5.869   9.058
   94    HG2  ARG  10           HG2      ARG  10  28.709  -4.487   9.278
   95    HG3  ARG  10           HG3      ARG  10  27.743  -4.383  10.726
   96    HD2  ARG  10           HD2      ARG  10  30.055  -4.502  11.372
   97    HD3  ARG  10           HD3      ARG  10  29.292  -6.048  11.814
   98    HE   ARG  10           HE       ARG  10  30.697  -5.836   9.220
   99   HH11  ARG  10          HH11      ARG  10  30.879  -7.123  12.585
  100   HH12  ARG  10          HH12      ARG  10  32.112  -8.267  12.165
  101   HH21  ARG  10          HH21      ARG  10  32.620  -6.884   8.939
  102   HH22  ARG  10          HH22      ARG  10  33.147  -8.152  10.012
  103    H    ASN  11           H        ASN  11  27.732  -5.839  12.751
  104    HA   ASN  11           HA       ASN  11  25.571  -5.544  14.426
  105    HB2  ASN  11           HB2      ASN  11  27.819  -4.541  14.788
  106    HB3  ASN  11           HB3      ASN  11  27.499  -3.351  13.518
  107   HD21  ASN  11          HD22      ASN  11  28.243  -2.382  15.960
  108   HD22  ASN  11          HD21      ASN  11  26.860  -1.614  16.730
  109    H    SER  12           H        SER  12  23.558  -4.818  14.201
  110    HA   SER  12           HA       SER  12  22.218  -4.604  11.924
  111    HB2  SER  12           HB2      SER  12  20.411  -3.561  13.235
  112    HB3  SER  12           HB3      SER  12  21.248  -4.816  14.135
  113    HG   SER  12           HG       SER  12  22.328  -3.288  15.345
  114    H    CYS  13           H        CYS  13  23.905  -1.789  13.181
  115    HA   CYS  13           HA       CYS  13  22.683   0.389  12.520
  116    HB2  CYS  13           HB2      CYS  13  25.578  -0.020  11.613
  117    HB3  CYS  13           HB3      CYS  13  24.827   1.489  12.159
  118    HG   CYS  13           HG       CYS  13  26.534   0.447  13.921
  119    H    ARG  14           H        ARG  14  24.593  -1.134   9.808
  120    HA   ARG  14           HA       ARG  14  23.787   1.032   8.106
  121    HB2  ARG  14           HB2      ARG  14  24.978  -0.001   6.314
  122    HB3  ARG  14           HB3      ARG  14  25.908  -0.096   7.792
  123    HG2  ARG  14           HG2      ARG  14  25.223  -2.528   8.030
  124    HG3  ARG  14           HG3      ARG  14  24.383  -2.395   6.483
  125    HD2  ARG  14           HD2      ARG  14  26.621  -1.743   5.428
  126    HD3  ARG  14           HD3      ARG  14  27.377  -2.104   6.979
  127    HE   ARG  14           HE       ARG  14  25.649  -4.234   5.850
  128   HH11  ARG  14          HH21      ARG  14  28.976  -3.010   5.826
  129   HH12  ARG  14          HH22      ARG  14  29.673  -4.566   6.264
  130   HH21  ARG  14          HH11      ARG  14  26.659  -6.293   5.456
  131   HH22  ARG  14          HH12      ARG  14  28.365  -6.467   5.709
  132    H    SER  15           H        SER  15  22.576  -2.392   8.014
  133    HA   SER  15           HA       SER  15  20.757  -1.638   5.927
  134    HB2  SER  15           HB2      SER  15  20.494  -4.074   7.657
  135    HB3  SER  15           HB3      SER  15  20.191  -3.871   5.913
  136    HG   SER  15           HG       SER  15  22.161  -4.897   6.097
  137    H    GLN  16           H        GLN  16  20.445  -1.965   9.504
  138    HA   GLN  16           HA       GLN  16  17.546  -1.767   9.360
  139    HB2  GLN  16           HB2      GLN  16  17.594  -2.442  11.440
  140    HB3  GLN  16           HB3      GLN  16  19.257  -2.779  11.157
  141    HG2  GLN  16           HG2      GLN  16  19.623  -1.602  13.036
  142    HG3  GLN  16           HG3      GLN  16  19.536  -0.184  12.027
  143   HE21  GLN  16          HE22      GLN  16  18.946  -0.268  14.864
  144   HE22  GLN  16          HE21      GLN  16  17.242   0.125  15.060
  145    H    MET  17           H        MET  17  20.246   0.603   9.627
  146    HA   MET  17           HA       MET  17  18.554   2.903   9.897
  147    HB2  MET  17           HB2      MET  17  20.997   3.097  10.124
  148    HB3  MET  17           HB3      MET  17  21.190   2.470   8.458
  149    HG2  MET  17           HG2      MET  17  21.592   4.788   8.419
  150    HG3  MET  17           HG3      MET  17  20.149   4.456   7.504
  151    HE1  MET  17           HE1      MET  17  17.501   6.449   9.978
  152    HE2  MET  17           HE2      MET  17  17.608   5.930   8.292
  153    HE3  MET  17           HE3      MET  17  17.579   4.707   9.602
  154    H    ALA  18           H        ALA  18  19.694   0.987   7.075
  155    HA   ALA  18           HA       ALA  18  18.659   2.748   5.156
  156    HB1  ALA  18           HB1      ALA  18  20.244   0.763   4.864
  157    HB2  ALA  18           HB2      ALA  18  18.803  -0.280   4.861
  158    HB3  ALA  18           HB3      ALA  18  18.994   0.943   3.593
  159    H    GLU  19           H        GLU  19  17.034   0.075   6.906
  160    HA   GLU  19           HA       GLU  19  14.504   0.427   5.672
  161    HB2  GLU  19           HB2      GLU  19  15.241  -1.419   7.277
  162    HB3  GLU  19           HB3      GLU  19  14.987  -0.265   8.589
  163    HG2  GLU  19           HG2      GLU  19  12.595  -0.005   7.295
  164    HG3  GLU  19           HG3      GLU  19  13.005  -1.651   6.832
  165    H    GLY  20           H        GLY  20  16.038   2.262   8.458
  166    HA2  GLY  20           HA2      GLY  20  13.623   3.599   9.195
  167    HA3  GLY  20           HA3      GLY  20  15.282   4.090   9.588
  168    H    PHE  21           H        PHE  21  16.380   4.548   7.060
  169    HA   PHE  21           HA       PHE  21  15.219   7.077   6.228
  170    HB2  PHE  21           HB2      PHE  21  17.335   5.241   5.077
  171    HB3  PHE  21           HB3      PHE  21  16.721   6.600   4.144
  172    HD1  PHE  21           HD2      PHE  21  16.553   8.919   5.698
  173    HD2  PHE  21           HD1      PHE  21  19.471   5.746   5.969
  174    HE1  PHE  21           HE2      PHE  21  18.208  10.499   6.627
  175    HE2  PHE  21           HE1      PHE  21  21.093   7.304   6.832
  176    HZ   PHE  21           HZ       PHE  21  20.484   9.715   7.215
  177    H    ALA  22           H        ALA  22  14.959   3.680   4.960
  178    HA   ALA  22           HA       ALA  22  13.532   4.526   2.641
  179    HB1  ALA  22           HB1      ALA  22  14.720   2.419   2.693
  180    HB2  ALA  22           HB2      ALA  22  13.708   1.828   4.015
  181    HB3  ALA  22           HB3      ALA  22  12.990   2.108   2.404
  182    H    LYS  23           H        LYS  23  12.265   3.540   5.892
  183    HA   LYS  23           HA       LYS  23   9.580   3.940   4.884
  184    HB2  LYS  23           HB2      LYS  23   8.773   3.231   6.952
  185    HB3  LYS  23           HB3      LYS  23  10.165   2.245   6.526
  186    HG2  LYS  23           HG2      LYS  23  11.554   3.601   8.140
  187    HG3  LYS  23           HG3      LYS  23  10.058   4.417   8.656
  188    HD2  LYS  23           HD2      LYS  23   9.046   2.207   9.196
  189    HD3  LYS  23           HD3      LYS  23  10.521   1.394   8.632
  190    HE2  LYS  23           HE2      LYS  23  11.797   2.606  10.449
  191    HE3  LYS  23           HE3      LYS  23  10.243   3.193  11.076
  192    HZ1  LYS  23           HZ1      LYS  23   9.565   0.846  11.334
  193    HZ2  LYS  23           HZ2      LYS  23  11.028   0.331  10.760
  194    HZ3  LYS  23           HZ3      LYS  23  10.923   1.139  12.192
  195    H    THR  24           H        THR  24  11.947   6.055   6.057
  196    HA   THR  24           HA       THR  24  10.170   8.250   6.772
  197    HB   THR  24           HB       THR  24  13.099   7.691   6.351
  198    HG1  THR  24           HG1      THR  24  12.378   7.294   8.345
  199   HG21  THR  24          HG21      THR  24  12.132  10.524   6.635
  200   HG22  THR  24          HG22      THR  24  13.808   9.916   6.798
  201   HG23  THR  24          HG23      THR  24  12.987   9.792   5.241
  202    H    LEU  25           H        LEU  25  12.234   7.369   3.987
  203    HA   LEU  25           HA       LEU  25  11.370   9.639   2.446
  204    HB2  LEU  25           HB2      LEU  25  13.276   7.359   1.985
  205    HB3  LEU  25           HB3      LEU  25  12.968   8.596   0.750
  206    HG   LEU  25           HG       LEU  25  14.087   9.086   3.515
  207   HD11  LEU  25          HD11      LEU  25  15.419   9.063   0.768
  208   HD12  LEU  25          HD12      LEU  25  16.224   9.524   2.287
  209   HD13  LEU  25          HD13      LEU  25  15.687   7.860   2.058
  210   HD21  LEU  25          HD21      LEU  25  13.750  10.990   1.152
  211   HD22  LEU  25          HD22      LEU  25  12.919  11.101   2.720
  212   HD23  LEU  25          HD23      LEU  25  14.657  11.353   2.632
  213    H    GLY  26           H        GLY  26  10.668   6.188   2.488
  214    HA2  GLY  26           HA2      GLY  26   9.201   6.185  -0.084
  215    HA3  GLY  26           HA3      GLY  26   9.714   4.803   0.914
  216    H    ALA  27           H        ALA  27   8.309   7.380   2.699
  217    HA   ALA  27           HA       ALA  27   6.444   5.671   3.917
  218    HB1  ALA  27           HB1      ALA  27   6.478   8.736   3.858
  219    HB2  ALA  27           HB2      ALA  27   5.695   7.705   5.081
  220    HB3  ALA  27           HB3      ALA  27   7.465   7.743   4.936
  221    H    GLY  28           H        GLY  28   4.554   4.915   3.216
  222    HA2  GLY  28           HA2      GLY  28   2.440   4.911   2.297
  223    HA3  GLY  28           HA3      GLY  28   2.622   6.634   1.891
  224    H    LYS  29           H        LYS  29   5.242   4.827   0.650
  225    HA   LYS  29           HA       LYS  29   3.972   4.605  -2.008
  226    HB2  LYS  29           HB2      LYS  29   6.754   5.468  -1.186
  227    HB3  LYS  29           HB3      LYS  29   6.249   5.187  -2.857
  228    HG2  LYS  29           HG2      LYS  29   4.943   7.201  -0.999
  229    HG3  LYS  29           HG3      LYS  29   6.271   7.611  -2.088
  230    HD2  LYS  29           HD2      LYS  29   4.862   7.005  -4.047
  231    HD3  LYS  29           HD3      LYS  29   3.558   6.512  -2.972
  232    HE2  LYS  29           HE2      LYS  29   2.975   8.669  -3.766
  233    HE3  LYS  29           HE3      LYS  29   3.406   8.833  -2.066
  234    HZ1  LYS  29           HZ1      LYS  29   5.567   9.740  -2.770
  235    HZ2  LYS  29           HZ2      LYS  29   5.175   9.538  -4.354
  236    HZ3  LYS  29           HZ3      LYS  29   4.352  10.597  -3.432
  237    H    ILE  30           H        ILE  30   5.993   3.193   0.495
  238    HA   ILE  30           HA       ILE  30   5.807   0.570  -0.829
  239    HB   ILE  30           HB       ILE  30   8.185   0.119  -0.170
  240   HG12  ILE  30          HG12      ILE  30   8.673   3.099  -0.053
  241   HG13  ILE  30          HG13      ILE  30   8.301   2.206   1.417
  242   HG21  ILE  30          HG21      ILE  30   8.163   2.389  -2.173
  243   HG22  ILE  30          HG22      ILE  30   9.001   0.806  -2.202
  244   HG23  ILE  30          HG23      ILE  30   7.252   0.888  -2.430
  245   HD11  ILE  30          HD11      ILE  30  10.217   0.702   1.012
  246   HD12  ILE  30          HD12      ILE  30  10.660   1.687  -0.426
  247   HD13  ILE  30          HD13      ILE  30  10.687   2.401   1.197
  248    H    ALA  31           H        ALA  31   6.650  -1.095   0.714
  249    HA   ALA  31           HA       ALA  31   5.978  -0.455   3.572
  250    HB1  ALA  31           HB1      ALA  31   5.642  -3.111   2.084
  251    HB2  ALA  31           HB2      ALA  31   5.415  -2.870   3.826
  252    HB3  ALA  31           HB3      ALA  31   4.326  -2.071   2.673
  253    H    VAL  32           H        VAL  32   7.685  -1.088   4.982
  254    HA   VAL  32           HA       VAL  32  10.188  -1.910   3.663
  255    HB   VAL  32           HB       VAL  32   9.979   0.156   5.829
  256   HG11  VAL  32          HG11      VAL  32  12.196  -0.719   4.892
  257   HG12  VAL  32          HG12      VAL  32  11.781   0.228   3.431
  258   HG13  VAL  32          HG13      VAL  32  11.955   1.025   5.019
  259   HG21  VAL  32          HG21      VAL  32   9.267   0.710   2.949
  260   HG22  VAL  32          HG22      VAL  32   8.434   1.258   4.413
  261   HG23  VAL  32          HG23      VAL  32   9.980   1.968   3.938
  262    H    THR  33           H        THR  33  11.572  -3.285   4.850
  263    HA   THR  33           HA       THR  33  11.047  -3.866   7.703
  264    HB   THR  33           HB       THR  33  11.280  -6.331   6.224
  265    HG1  THR  33           HG1      THR  33  10.207  -5.259   4.510
  266   HG21  THR  33          HG21      THR  33  10.356  -6.160   8.491
  267   HG22  THR  33          HG22      THR  33   8.975  -5.224   7.869
  268   HG23  THR  33          HG23      THR  33   9.202  -6.923   7.386
  269    H    SER  34           H        SER  34  12.882  -5.288   8.633
  270    HA   SER  34           HA       SER  34  15.206  -5.574   6.842
  271    HB2  SER  34           HB2      SER  34  16.735  -4.679   8.567
  272    HB3  SER  34           HB3      SER  34  15.691  -3.475   7.813
  273    HG   SER  34           HG       SER  34  14.416  -3.397   9.616
  274    H    CYS  35           H        CYS  35  16.942  -7.035   7.836
  275    HA   CYS  35           HA       CYS  35  16.020  -8.734  10.027
  276    HB2  CYS  35           HB2      CYS  35  16.308 -10.858   8.656
  277    HB3  CYS  35           HB3      CYS  35  14.876  -9.901   8.287
  278    HG   CYS  35           HG       CYS  35  15.726  -8.741   6.190
  279    H    GLY  36           H        GLY  36  17.630 -10.292  10.700
  280    HA2  GLY  36           HA2      GLY  36  19.961 -11.069  10.571
  281    HA3  GLY  36           HA3      GLY  36  20.447  -9.437  10.097
  282    H    LEU  37           H        LEU  37  20.371  -7.718  11.678
  283    HA   LEU  37           HA       LEU  37  20.763  -6.804  13.598
  284    HB2  LEU  37           HB2      LEU  37  18.182  -7.625  13.855
  285    HB3  LEU  37           HB3      LEU  37  18.880  -8.435  15.248
  286    HG   LEU  37           HG       LEU  37  20.035  -5.969  15.548
  287   HD11  LEU  37          HD11      LEU  37  17.280  -5.351  14.377
  288   HD12  LEU  37          HD12      LEU  37  18.507  -4.188  14.910
  289   HD13  LEU  37          HD13      LEU  37  18.771  -5.171  13.449
  290   HD21  LEU  37          HD21      LEU  37  17.247  -6.624  16.506
  291   HD22  LEU  37          HD22      LEU  37  18.768  -7.014  17.317
  292   HD23  LEU  37          HD23      LEU  37  18.259  -5.317  17.112
  293    H    GLU  38           H        GLU  38  22.655  -8.355  12.857
  294    HA   GLU  38           HA       GLU  38  23.343 -10.519  14.499
  295    HB2  GLU  38           HB2      GLU  38  24.321  -9.648  12.198
  296    HB3  GLU  38           HB3      GLU  38  25.404  -8.724  13.241
  297    HG2  GLU  38           HG2      GLU  38  26.506 -10.734  12.541
  298    HG3  GLU  38           HG3      GLU  38  26.209 -10.834  14.267
  299    H    SER  39           H        SER  39  23.227  -7.235  15.291
  300    HA   SER  39           HA       SER  39  25.258  -7.238  17.363
  301    HB2  SER  39           HB2      SER  39  23.843  -5.036  17.931
  302    HB3  SER  39           HB3      SER  39  24.874  -5.132  16.503
  303    HG   SER  39           HG       SER  39  22.090  -5.117  16.676
  304    H    SER  40           H        SER  40  22.836  -9.091  17.263
  305    HA   SER  40           HA       SER  40  21.517 -10.308  18.583
  306    HB2  SER  40           HB2      SER  40  23.166  -9.281  20.911
  307    HB3  SER  40           HB3      SER  40  22.190 -10.756  20.859
  308    HG   SER  40           HG       SER  40  24.416 -11.185  20.452
  309    H    ARG  41           H        ARG  41  21.572  -6.926  19.262
  310    HA   ARG  41           HA       ARG  41  18.738  -6.863  19.694
  311    HB2  ARG  41           HB2      ARG  41  18.631  -5.847  21.827
  312    HB3  ARG  41           HB3      ARG  41  19.588  -7.294  22.027
  313    HG2  ARG  41           HG2      ARG  41  20.518  -4.418  22.092
  314    HG3  ARG  41           HG3      ARG  41  20.532  -5.611  23.384
  315    HD2  ARG  41           HD2      ARG  41  22.225  -6.930  21.994
  316    HD3  ARG  41           HD3      ARG  41  22.314  -5.495  20.936
  317    HE   ARG  41           HE       ARG  41  22.710  -4.711  23.644
  318   HH11  ARG  41          HH11      ARG  41  24.406  -6.396  20.997
  319   HH12  ARG  41          HH12      ARG  41  25.989  -6.076  21.631
  320   HH21  ARG  41          HH21      ARG  41  24.817  -4.261  24.461
  321   HH22  ARG  41          HH22      ARG  41  26.221  -4.802  23.617
  322    H    VAL  42           H        VAL  42  18.320  -4.235  20.106
  323    HA   VAL  42           HA       VAL  42  19.451  -3.005  17.759
  324    HB   VAL  42           HB       VAL  42  17.136  -2.731  19.192
  325   HG11  VAL  42          HG11      VAL  42  16.967  -0.594  20.298
  326   HG12  VAL  42          HG12      VAL  42  18.213  -1.561  21.097
  327   HG13  VAL  42          HG13      VAL  42  18.683  -0.240  20.011
  328   HG21  VAL  42          HG21      VAL  42  18.297  -0.558  17.422
  329   HG22  VAL  42          HG22      VAL  42  17.445  -2.035  16.887
  330   HG23  VAL  42          HG23      VAL  42  16.581  -0.820  17.825
  331    H    HIS  43           H        HIS  43  20.598  -0.956  17.777
  332    HA   HIS  43           HA       HIS  43  22.791  -1.099  19.794
  333    HB2  HIS  43           HB2      HIS  43  23.165  -2.085  17.537
  334    HB3  HIS  43           HB3      HIS  43  22.967  -0.488  16.829
  335    HD1  HIS  43           HD1      HIS  43  25.249  -2.123  19.565
  336    HD2  HIS  43           HD2      HIS  43  25.183   0.902  16.640
  337    HE1  HIS  43           HE1      HIS  43  27.565  -1.065  19.568
  338    HA   PRO  44           HA       PRO  44  21.008   2.944  20.492
  339    HB2  PRO  44           HB2      PRO  44  22.556   3.875  22.533
  340    HB3  PRO  44           HB3      PRO  44  21.399   2.524  22.751
  341    HG2  PRO  44           HG2      PRO  44  24.354   2.343  22.054
  342    HG3  PRO  44           HG3      PRO  44  23.523   1.565  23.460
  343    HD2  PRO  44           HD2      PRO  44  23.873   0.136  21.231
  344    HD3  PRO  44           HD3      PRO  44  22.240   0.116  21.984
  345    H    THR  45           H        THR  45  24.545   2.558  19.822
  346    HA   THR  45           HA       THR  45  24.998   5.268  19.382
  347    HB   THR  45           HB       THR  45  26.325   2.971  17.869
  348    HG1  THR  45           HG1      THR  45  27.563   2.667  19.636
  349   HG21  THR  45          HG21      THR  45  27.017   5.132  16.986
  350   HG22  THR  45          HG22      THR  45  27.249   5.786  18.615
  351   HG23  THR  45          HG23      THR  45  28.333   4.514  17.986
  352    H    ALA  46           H        ALA  46  23.506   2.770  17.282
  353    HA   ALA  46           HA       ALA  46  23.523   4.420  14.917
  354    HB1  ALA  46           HB1      ALA  46  23.247   1.897  14.894
  355    HB2  ALA  46           HB2      ALA  46  21.608   2.121  15.548
  356    HB3  ALA  46           HB3      ALA  46  22.043   2.770  13.941
  357    H    ILE  47           H        ILE  47  21.228   3.839  17.596
  358    HA   ILE  47           HA       ILE  47  19.084   5.407  16.593
  359    HB   ILE  47           HB       ILE  47  19.933   4.644  19.341
  360   HG12  ILE  47          HG12      ILE  47  17.668   3.652  19.392
  361   HG13  ILE  47          HG13      ILE  47  17.468   4.090  17.682
  362   HG21  ILE  47          HG21      ILE  47  17.868   5.677  20.291
  363   HG22  ILE  47          HG22      ILE  47  19.025   6.877  19.751
  364   HG23  ILE  47          HG23      ILE  47  17.606   6.502  18.740
  365   HD11  ILE  47          HD11      ILE  47  19.488   2.162  18.887
  366   HD12  ILE  47          HD12      ILE  47  17.969   1.743  18.098
  367   HD13  ILE  47          HD13      ILE  47  19.280   2.499  17.140
  368    H    ALA  48           H        ALA  48  21.852   6.415  18.702
  369    HA   ALA  48           HA       ALA  48  21.081   9.125  18.812
  370    HB1  ALA  48           HB1      ALA  48  23.887   7.931  18.914
  371    HB2  ALA  48           HB2      ALA  48  23.411   9.586  19.404
  372    HB3  ALA  48           HB3      ALA  48  22.781   8.180  20.295
  373    H    MET  49           H        MET  49  23.167   7.433  16.473
  374    HA   MET  49           HA       MET  49  23.887   9.706  14.927
  375    HB2  MET  49           HB2      MET  49  23.650   6.759  14.259
  376    HB3  MET  49           HB3      MET  49  24.285   7.950  13.119
  377    HG2  MET  49           HG2      MET  49  25.428   7.688  15.927
  378    HG3  MET  49           HG3      MET  49  25.935   6.653  14.624
  379    HE1  MET  49           HE1      MET  49  27.406  10.773  15.602
  380    HE2  MET  49           HE2      MET  49  25.674  10.452  15.845
  381    HE3  MET  49           HE3      MET  49  26.876   9.404  16.618
  382    H    MET  50           H        MET  50  20.874   7.842  15.002
  383    HA   MET  50           HA       MET  50  20.040   9.119  12.476
  384    HB2  MET  50           HB2      MET  50  18.495   7.207  14.237
  385    HB3  MET  50           HB3      MET  50  18.117   7.710  12.583
  386    HG2  MET  50           HG2      MET  50  19.928   5.667  13.538
  387    HG3  MET  50           HG3      MET  50  19.128   5.817  12.010
  388    HE1  MET  50           HE1      MET  50  21.470   4.332  11.926
  389    HE2  MET  50           HE2      MET  50  22.963   5.067  11.265
  390    HE3  MET  50           HE3      MET  50  22.687   5.049  13.014
  391    H    GLU  51           H        GLU  51  19.576   9.392  15.956
  392    HA   GLU  51           HA       GLU  51  17.489  11.299  15.894
  393    HB2  GLU  51           HB2      GLU  51  18.343   9.934  17.882
  394    HB3  GLU  51           HB3      GLU  51  19.761  10.966  17.933
  395    HG2  GLU  51           HG2      GLU  51  18.247  11.742  19.598
  396    HG3  GLU  51           HG3      GLU  51  18.273  12.954  18.324
  397    H    GLU  52           H        GLU  52  20.990  11.558  15.400
  398    HA   GLU  52           HA       GLU  52  21.277  14.359  15.386
  399    HB2  GLU  52           HB2      GLU  52  22.586  12.321  13.549
  400    HB3  GLU  52           HB3      GLU  52  23.032  14.012  13.647
  401    HG2  GLU  52           HG2      GLU  52  23.492  13.552  16.165
  402    HG3  GLU  52           HG3      GLU  52  23.544  11.848  15.681
  403    H    VAL  53           H        VAL  53  19.484  12.343  13.133
  404    HA   VAL  53           HA       VAL  53  19.088  14.643  11.308
  405    HB   VAL  53           HB       VAL  53  18.897  12.937   9.527
  406   HG11  VAL  53          HG11      VAL  53  21.301  12.717   9.148
  407   HG12  VAL  53          HG12      VAL  53  20.938  14.305   9.841
  408   HG13  VAL  53          HG13      VAL  53  21.628  13.029  10.868
  409   HG21  VAL  53          HG21      VAL  53  19.919  10.749   9.708
  410   HG22  VAL  53          HG22      VAL  53  20.263  11.012  11.425
  411   HG23  VAL  53          HG23      VAL  53  18.580  10.866  10.851
  412    H    GLY  54           H        GLY  54  17.585  13.270  13.746
  413    HA2  GLY  54           HA2      GLY  54  15.410  13.298  14.390
  414    HA3  GLY  54           HA3      GLY  54  15.016  14.141  12.886
  415    H    ILE  55           H        ILE  55  16.396  10.831  13.327
  416    HA   ILE  55           HA       ILE  55  13.913   9.640  12.278
  417    HB   ILE  55           HB       ILE  55  16.692   8.832  11.421
  418   HG12  ILE  55          HG12      ILE  55  14.370  10.237  10.032
  419   HG13  ILE  55          HG13      ILE  55  16.005  10.859  10.317
  420   HG21  ILE  55          HG21      ILE  55  13.948   7.629  10.790
  421   HG22  ILE  55          HG22      ILE  55  15.444   7.172   9.974
  422   HG23  ILE  55          HG23      ILE  55  15.286   6.825  11.671
  423   HD11  ILE  55          HD11      ILE  55  16.851   8.955   8.876
  424   HD12  ILE  55          HD12      ILE  55  15.134   8.691   8.438
  425   HD13  ILE  55          HD13      ILE  55  15.914  10.240   8.054
  426    H    ASP  56           H        ASP  56  13.591   7.443  13.108
  427    HA   ASP  56           HA       ASP  56  14.993   6.874  15.690
  428    HB2  ASP  56           HB2      ASP  56  12.898   7.897  16.284
  429    HB3  ASP  56           HB3      ASP  56  12.018   6.914  15.107
  430    H    ILE  57           H        ILE  57  15.668   4.849  15.841
  431    HA   ILE  57           HA       ILE  57  14.493   2.611  14.360
  432    HB   ILE  57           HB       ILE  57  16.592   1.834  13.576
  433   HG12  ILE  57          HG12      ILE  57  17.871   4.501  14.308
  434   HG13  ILE  57          HG13      ILE  57  18.166   2.961  15.124
  435   HG21  ILE  57          HG21      ILE  57  15.073   3.277  12.147
  436   HG22  ILE  57          HG22      ILE  57  16.260   4.592  12.385
  437   HG23  ILE  57          HG23      ILE  57  16.722   3.078  11.574
  438   HD11  ILE  57          HD11      ILE  57  19.953   3.422  13.568
  439   HD12  ILE  57          HD12      ILE  57  19.051   2.015  12.991
  440   HD13  ILE  57          HD13      ILE  57  18.826   3.595  12.209
  441    H    SER  58           H        SER  58  14.790   3.834  17.226
  442    HA   SER  58           HA       SER  58  15.823   1.501  18.605
  443    HB2  SER  58           HB2      SER  58  14.106   3.138  20.219
  444    HB3  SER  58           HB3      SER  58  15.874   2.897  20.293
  445    HG   SER  58           HG       SER  58  14.530   4.851  18.678
  446    H    GLY  59           H        GLY  59  14.223   0.241  19.991
  447    HA2  GLY  59           HA2      GLY  59  12.295  -0.994  20.204
  448    HA3  GLY  59           HA3      GLY  59  11.433   0.189  19.207
  449    H    GLN  60           H        GLN  60  13.747  -0.311  17.062
  450    HA   GLN  60           HA       GLN  60  12.558  -2.386  15.520
  451    HB2  GLN  60           HB2      GLN  60  15.274  -1.005  15.540
  452    HB3  GLN  60           HB3      GLN  60  14.886  -2.274  14.366
  453    HG2  GLN  60           HG2      GLN  60  13.012   0.026  14.782
  454    HG3  GLN  60           HG3      GLN  60  14.532   0.302  13.920
  455   HE21  GLN  60          HE22      GLN  60  14.973  -1.013  11.958
  456   HE22  GLN  60          HE21      GLN  60  13.597  -1.606  11.004
  457    H    THR  61           H        THR  61  13.276  -4.511  15.231
  458    HA   THR  61           HA       THR  61  15.037  -5.524  17.300
  459    HB   THR  61           HB       THR  61  13.018  -7.331  17.689
  460    HG1  THR  61           HG1      THR  61  11.471  -6.417  16.374
  461   HG21  THR  61          HG21      THR  61  12.406  -6.116  19.686
  462   HG22  THR  61          HG22      THR  61  14.153  -5.934  19.414
  463   HG23  THR  61          HG23      THR  61  13.049  -4.599  19.023
  464    H    SER  62           H        SER  62  15.186  -8.023  17.310
  465    HA   SER  62           HA       SER  62  16.473  -8.661  14.898
  466    HB2  SER  62           HB2      SER  62  15.773 -10.588  17.136
  467    HB3  SER  62           HB3      SER  62  17.223 -10.578  16.121
  468    HG   SER  62           HG       SER  62  17.552  -9.733  18.282
  469    H    ASP  63           H        ASP  63  16.065 -10.204  13.315
  470    HA   ASP  63           HA       ASP  63  14.146 -12.260  13.641
  471    HB2  ASP  63           HB2      ASP  63  13.034  -9.853  12.572
  472    HB3  ASP  63           HB3      ASP  63  13.261 -10.914  11.191
  473    HA   PRO  64           HA       PRO  64  17.558 -13.225  10.865
  474    HB2  PRO  64           HB2      PRO  64  17.305 -15.949  10.633
  475    HB3  PRO  64           HB3      PRO  64  17.871 -15.135  12.121
  476    HG2  PRO  64           HG2      PRO  64  15.094 -16.148  11.490
  477    HG3  PRO  64           HG3      PRO  64  16.041 -16.375  12.990
  478    HD2  PRO  64           HD2      PRO  64  14.132 -14.426  12.732
  479    HD3  PRO  64           HD3      PRO  64  15.608 -14.185  13.714
  480    H    ILE  65           H        ILE  65  17.965 -14.005   8.665
  481    HA   ILE  65           HA       ILE  65  15.999 -13.313   6.759
  482    HB   ILE  65           HB       ILE  65  18.430 -13.269   6.348
  483   HG12  ILE  65          HG12      ILE  65  16.963 -15.120   4.406
  484   HG13  ILE  65          HG13      ILE  65  16.905 -13.354   4.460
  485   HG21  ILE  65          HG21      ILE  65  19.020 -15.421   7.593
  486   HG22  ILE  65          HG22      ILE  65  18.419 -16.316   6.183
  487   HG23  ILE  65          HG23      ILE  65  19.804 -15.223   6.032
  488   HD11  ILE  65          HD11      ILE  65  19.349 -15.043   3.780
  489   HD12  ILE  65          HD12      ILE  65  18.348 -14.098   2.681
  490   HD13  ILE  65          HD13      ILE  65  19.336 -13.270   3.905
  491    H    GLU  66           H        GLU  66  16.821 -16.447   8.149
  492    HA   GLU  66           HA       GLU  66  15.269 -17.994   6.365
  493    HB2  GLU  66           HB2      GLU  66  16.405 -18.388   9.152
  494    HB3  GLU  66           HB3      GLU  66  15.457 -19.675   8.391
  495    HG2  GLU  66           HG2      GLU  66  17.983 -18.446   7.221
  496    HG3  GLU  66           HG3      GLU  66  17.922 -19.939   8.140
  497    H    ASN  67           H        ASN  67  14.235 -16.017   9.047
  498    HA   ASN  67           HA       ASN  67  11.726 -17.378   9.408
  499    HB2  ASN  67           HB2      ASN  67  11.442 -16.045  11.148
  500    HB3  ASN  67           HB3      ASN  67  13.037 -15.372  10.853
  501   HD21  ASN  67          HD22      ASN  67  13.194 -13.390   9.560
  502   HD22  ASN  67          HD21      ASN  67  11.782 -12.347   9.366
  503    H    PHE  68           H        PHE  68  13.021 -15.263   6.929
  504    HA   PHE  68           HA       PHE  68  10.297 -14.441   6.169
  505    HB2  PHE  68           HB2      PHE  68  12.981 -13.111   5.702
  506    HB3  PHE  68           HB3      PHE  68  11.519 -12.602   4.894
  507    HD1  PHE  68           HD1      PHE  68   9.497 -12.830   7.192
  508    HD2  PHE  68           HD2      PHE  68  13.493 -11.207   7.024
  509    HE1  PHE  68           HE1      PHE  68   8.929 -11.262   8.995
  510    HE2  PHE  68           HE2      PHE  68  12.881  -9.606   8.850
  511    HZ   PHE  68           HZ       PHE  68  10.618  -9.649   9.837
  512    H    ASN  69           H        ASN  69   9.986 -13.990   3.855
  513    HA   ASN  69           HA       ASN  69  11.017 -16.090   2.048
  514    HB2  ASN  69           HB2      ASN  69   9.052 -16.996   3.241
  515    HB3  ASN  69           HB3      ASN  69   8.189 -15.465   3.025
  516   HD21  ASN  69          HD22      ASN  69   7.758 -14.777   0.937
  517   HD22  ASN  69          HD21      ASN  69   7.159 -15.932  -0.279
  518    H    ALA  70           H        ALA  70  12.129 -14.403   0.932
  519    HA   ALA  70           HA       ALA  70  11.289 -11.802   0.550
  520    HB1  ALA  70           HB1      ALA  70  12.664 -11.923  -1.559
  521    HB2  ALA  70           HB2      ALA  70  13.471 -12.399  -0.067
  522    HB3  ALA  70           HB3      ALA  70  12.917 -13.652  -1.227
  523    H    ASP  71           H        ASP  71  10.222 -14.707  -1.120
  524    HA   ASP  71           HA       ASP  71   8.985 -13.620  -3.416
  525    HB2  ASP  71           HB2      ASP  71   8.955 -15.885  -3.532
  526    HB3  ASP  71           HB3      ASP  71   8.733 -16.096  -1.806
  527    H    ASP  72           H        ASP  72   7.981 -13.404  -0.051
  528    HA   ASP  72           HA       ASP  72   5.217 -12.647  -0.593
  529    HB2  ASP  72           HB2      ASP  72   5.956 -13.650   1.563
  530    HB3  ASP  72           HB3      ASP  72   6.941 -12.222   1.874
  531    H    TYR  73           H        TYR  73   8.248 -11.046  -0.778
  532    HA   TYR  73           HA       TYR  73   7.177  -8.342  -0.466
  533    HB2  TYR  73           HB2      TYR  73  10.081  -9.267  -0.360
  534    HB3  TYR  73           HB3      TYR  73   9.511  -7.638  -0.036
  535    HD1  TYR  73           HD2      TYR  73   9.242 -11.159   1.178
  536    HD2  TYR  73           HD1      TYR  73   9.126  -6.996   2.264
  537    HE1  TYR  73           HE2      TYR  73   8.902 -11.814   3.511
  538    HE2  TYR  73           HE1      TYR  73   8.709  -7.639   4.619
  539    HH   TYR  73           HH       TYR  73   8.454 -11.033   5.726
  540    H    ASP  74           H        ASP  74   8.656  -6.757  -2.014
  541    HA   ASP  74           HA       ASP  74   8.780  -8.100  -4.700
  542    HB2  ASP  74           HB2      ASP  74   8.138  -5.205  -4.025
  543    HB3  ASP  74           HB3      ASP  74   8.042  -5.963  -5.608
  544    H    VAL  75           H        VAL  75  10.707  -6.284  -2.383
  545    HA   VAL  75           HA       VAL  75  12.774  -5.801  -4.475
  546    HB   VAL  75           HB       VAL  75  11.323  -3.927  -2.735
  547   HG11  VAL  75          HG11      VAL  75  14.007  -3.516  -2.921
  548   HG12  VAL  75          HG12      VAL  75  13.375  -2.514  -4.250
  549   HG13  VAL  75          HG13      VAL  75  12.742  -2.291  -2.657
  550   HG21  VAL  75          HG21      VAL  75  10.972  -2.535  -4.714
  551   HG22  VAL  75          HG22      VAL  75  11.708  -3.822  -5.699
  552   HG23  VAL  75          HG23      VAL  75  10.205  -4.103  -4.812
  553    H    VAL  76           H        VAL  76  14.724  -6.670  -3.681
  554    HA   VAL  76           HA       VAL  76  15.008  -6.809  -0.723
  555    HB   VAL  76           HB       VAL  76  15.783  -8.654  -3.013
  556   HG11  VAL  76          HG11      VAL  76  17.890  -8.272  -1.677
  557   HG12  VAL  76          HG12      VAL  76  17.031  -8.815  -0.228
  558   HG13  VAL  76          HG13      VAL  76  17.308  -9.904  -1.636
  559   HG21  VAL  76          HG21      VAL  76  14.572  -9.221  -0.256
  560   HG22  VAL  76          HG22      VAL  76  13.631  -8.988  -1.730
  561   HG23  VAL  76          HG23      VAL  76  14.747 -10.362  -1.612
  562    H    ILE  77           H        ILE  77  16.581  -5.707   0.069
  563    HA   ILE  77           HA       ILE  77  18.879  -4.924  -1.633
  564    HB   ILE  77           HB       ILE  77  17.572  -3.421   0.669
  565   HG12  ILE  77          HG12      ILE  77  16.227  -2.956  -1.259
  566   HG13  ILE  77          HG13      ILE  77  17.274  -1.586  -0.955
  567   HG21  ILE  77          HG21      ILE  77  20.044  -2.750  -0.982
  568   HG22  ILE  77          HG22      ILE  77  19.289  -1.758   0.296
  569   HG23  ILE  77          HG23      ILE  77  20.032  -3.289   0.698
  570   HD11  ILE  77          HD11      ILE  77  17.606  -3.654  -3.158
  571   HD12  ILE  77          HD12      ILE  77  17.128  -1.985  -3.373
  572   HD13  ILE  77          HD13      ILE  77  18.785  -2.388  -2.836
  573    H    SER  78           H        SER  78  20.020  -6.751  -1.092
  574    HA   SER  78           HA       SER  78  20.186  -7.533   1.732
  575    HB2  SER  78           HB2      SER  78  20.186  -9.341   0.269
  576    HB3  SER  78           HB3      SER  78  21.358  -8.587  -0.843
  577    HG   SER  78           HG       SER  78  22.967  -9.059   0.417
  578    H    LEU  79           H        LEU  79  22.419  -7.400   2.808
  579    HA   LEU  79           HA       LEU  79  24.310  -5.535   1.594
  580    HB2  LEU  79           HB2      LEU  79  23.355  -4.970   4.436
  581    HB3  LEU  79           HB3      LEU  79  24.728  -4.268   3.575
  582    HG   LEU  79           HG       LEU  79  23.073  -3.365   1.903
  583   HD11  LEU  79          HD11      LEU  79  20.827  -2.695   2.920
  584   HD12  LEU  79          HD12      LEU  79  20.948  -4.396   2.482
  585   HD13  LEU  79          HD13      LEU  79  21.135  -3.944   4.142
  586   HD21  LEU  79          HD21      LEU  79  22.965  -2.229   4.720
  587   HD22  LEU  79          HD22      LEU  79  24.319  -1.998   3.587
  588   HD23  LEU  79          HD23      LEU  79  22.733  -1.324   3.205
  589    H    CYS  80           H        CYS  80  24.455  -8.131   1.550
  590    HA   CYS  80           HA       CYS  80  25.921  -9.121   3.937
  591    HB2  CYS  80           HB2      CYS  80  24.855 -10.548   1.451
  592    HB3  CYS  80           HB3      CYS  80  25.740 -11.320   2.791
  593    HG   CYS  80           HG       CYS  80  22.747 -10.061   2.545
  594    H    GLY  81           H        GLY  81  26.644  -7.340   1.135
  595    HA2  GLY  81           HA2      GLY  81  28.834  -6.577   0.776
  596    HA3  GLY  81           HA3      GLY  81  29.505  -7.997   1.587
  597    H    CYS  82           H        CYS  82  27.098  -7.670  -1.012
  598    HA   CYS  82           HA       CYS  82  26.757  -8.979  -2.853
  599    HB2  CYS  82           HB2      CYS  82  28.097  -8.080  -4.690
  600    HB3  CYS  82           HB3      CYS  82  27.566  -6.842  -3.536
  601    HG   CYS  82           HG       CYS  82  30.515  -8.326  -3.665
  602    H    GLY  83           H        GLY  83  27.701 -10.836  -1.123
  603    HA2  GLY  83           HA2      GLY  83  29.118 -12.758  -2.858
  604    HA3  GLY  83           HA3      GLY  83  29.949 -12.232  -1.383
  605    H    VAL  84           H        VAL  84  26.501 -12.932  -2.132
  606    HA   VAL  84           HA       VAL  84  26.381 -14.886   0.060
  607    HB   VAL  84           HB       VAL  84  25.708 -12.632   0.689
  608   HG11  VAL  84          HG11      VAL  84  23.655 -12.809  -1.522
  609   HG12  VAL  84          HG12      VAL  84  23.496 -11.698  -0.152
  610   HG13  VAL  84          HG13      VAL  84  24.880 -11.563  -1.236
  611   HG21  VAL  84          HG21      VAL  84  23.601 -13.153   1.801
  612   HG22  VAL  84          HG22      VAL  84  23.274 -14.469   0.680
  613   HG23  VAL  84          HG23      VAL  84  24.644 -14.577   1.815
  614    H    ASN  85           H        ASN  85  24.481 -16.275  -0.051
  615    HA   ASN  85           HA       ASN  85  23.867 -17.142  -2.824
  616    HB2  ASN  85           HB2      ASN  85  24.157 -19.389  -2.028
  617    HB3  ASN  85           HB3      ASN  85  25.607 -18.463  -1.660
  618   HD21  ASN  85          HD22      ASN  85  24.827 -20.962  -0.379
  619   HD22  ASN  85          HD21      ASN  85  24.623 -20.600   1.323
  620    H    LEU  86           H        LEU  86  22.162 -15.369  -1.734
  621    HA   LEU  86           HA       LEU  86  20.121 -16.241   0.005
  622    HB2  LEU  86           HB2      LEU  86  19.714 -14.427  -2.395
  623    HB3  LEU  86           HB3      LEU  86  18.745 -14.483  -0.928
  624    HG   LEU  86           HG       LEU  86  21.634 -13.565  -1.038
  625   HD11  LEU  86          HD11      LEU  86  20.110 -12.112  -2.360
  626   HD12  LEU  86          HD12      LEU  86  19.127 -11.850  -0.903
  627   HD13  LEU  86          HD13      LEU  86  20.826 -11.300  -0.955
  628   HD21  LEU  86          HD21      LEU  86  19.582 -13.080   1.145
  629   HD22  LEU  86          HD22      LEU  86  20.866 -14.317   1.240
  630   HD23  LEU  86          HD23      LEU  86  21.288 -12.595   1.148
  631    HA   PRO  87           HA       PRO  87  17.987 -19.295  -2.502
  632    HB2  PRO  87           HB2      PRO  87  15.483 -18.124  -1.336
  633    HB3  PRO  87           HB3      PRO  87  15.962 -19.833  -1.465
  634    HG2  PRO  87           HG2      PRO  87  16.179 -18.448   0.918
  635    HG3  PRO  87           HG3      PRO  87  17.398 -19.661   0.420
  636    HD2  PRO  87           HD2      PRO  87  17.586 -16.666   0.324
  637    HD3  PRO  87           HD3      PRO  87  18.846 -17.889   0.640
  638    HA   PRO  88           HA       PRO  88  16.938 -17.153  -6.077
  639    HB2  PRO  88           HB2      PRO  88  14.611 -19.037  -6.573
  640    HB3  PRO  88           HB3      PRO  88  15.893 -18.517  -7.719
  641    HG2  PRO  88           HG2      PRO  88  16.059 -20.923  -6.482
  642    HG3  PRO  88           HG3      PRO  88  17.520 -19.887  -6.637
  643    HD2  PRO  88           HD2      PRO  88  15.738 -20.274  -4.225
  644    HD3  PRO  88           HD3      PRO  88  17.521 -20.177  -4.328
  645    H    GLU  89           H        GLU  89  14.162 -17.518  -3.902
  646    HA   GLU  89           HA       GLU  89  12.356 -15.839  -5.308
  647    HB2  GLU  89           HB2      GLU  89  11.248 -15.677  -3.088
  648    HB3  GLU  89           HB3      GLU  89  11.490 -17.323  -3.691
  649    HG2  GLU  89           HG2      GLU  89  13.404 -17.629  -2.181
  650    HG3  GLU  89           HG3      GLU  89  13.238 -15.961  -1.610
  651    H    TRP  90           H        TRP  90  15.106 -15.191  -3.282
  652    HA   TRP  90           HA       TRP  90  14.512 -12.432  -2.727
  653    HB2  TRP  90           HB2      TRP  90  17.084 -14.047  -2.649
  654    HB3  TRP  90           HB3      TRP  90  16.947 -12.383  -2.114
  655    HD1  TRP  90           HD1      TRP  90  15.603 -15.885  -1.108
  656    HE1  TRP  90           HE1      TRP  90  14.929 -15.875   1.367
  657    HE3  TRP  90           HE3      TRP  90  16.493 -11.033  -0.072
  658    HZ2  TRP  90           HZ2      TRP  90  14.504 -13.884   3.439
  659    HZ3  TRP  90           HZ3      TRP  90  15.924 -10.014   2.083
  660    HH2  TRP  90           HH2      TRP  90  14.876 -11.462   3.889
  661    H    VAL  91           H        VAL  91  15.331 -14.003  -5.613
  662    HA   VAL  91           HA       VAL  91  16.757 -11.701  -6.718
  663    HB   VAL  91           HB       VAL  91  16.620 -14.496  -7.649
  664   HG11  VAL  91          HG11      VAL  91  17.099 -13.062  -9.523
  665   HG12  VAL  91          HG12      VAL  91  18.375 -12.222  -8.611
  666   HG13  VAL  91          HG13      VAL  91  18.566 -13.931  -9.078
  667   HG21  VAL  91          HG21      VAL  91  18.819 -13.100  -6.084
  668   HG22  VAL  91          HG22      VAL  91  17.845 -14.486  -5.547
  669   HG23  VAL  91          HG23      VAL  91  18.993 -14.686  -6.863
  670    H    THR  92           H        THR  92  13.822 -13.694  -7.024
  671    HA   THR  92           HA       THR  92  13.168 -12.800  -9.686
  672    HB   THR  92           HB       THR  92  10.969 -13.961  -9.089
  673    HG1  THR  92           HG1      THR  92  10.786 -14.851  -7.112
  674   HG21  THR  92          HG21      THR  92  12.051 -16.204  -9.017
  675   HG22  THR  92          HG22      THR  92  12.865 -15.121 -10.174
  676   HG23  THR  92          HG23      THR  92  13.606 -15.434  -8.602
  677    H    GLN  93           H        GLN  93  12.969 -11.276  -6.741
  678    HA   GLN  93           HA       GLN  93  10.881  -9.557  -6.551
  679    HB2  GLN  93           HB2      GLN  93  13.895  -9.196  -6.295
  680    HB3  GLN  93           HB3      GLN  93  12.680  -8.196  -5.469
  681    HG2  GLN  93           HG2      GLN  93  13.248 -11.131  -4.940
  682    HG3  GLN  93           HG3      GLN  93  13.773  -9.763  -3.981
  683   HE21  GLN  93          HE22      GLN  93  11.304 -12.053  -4.427
  684   HE22  GLN  93          HE21      GLN  93  10.162 -11.307  -3.304
  685    H    GLU  94           H        GLU  94  10.733  -7.286  -7.160
  686    HA   GLU  94           HA       GLU  94  11.220  -6.612  -9.898
  687    HB2  GLU  94           HB2      GLU  94   9.287  -5.638  -9.131
  688    HB3  GLU  94           HB3      GLU  94   9.877  -5.481  -7.476
  689    HG2  GLU  94           HG2      GLU  94  11.148  -3.579  -7.938
  690    HG3  GLU  94           HG3      GLU  94  10.900  -3.718  -9.688
  691    H    ILE  95           H        ILE  95  12.655  -5.923  -6.699
  692    HA   ILE  95           HA       ILE  95  15.099  -4.959  -8.154
  693    HB   ILE  95           HB       ILE  95  14.012  -4.063  -5.497
  694   HG12  ILE  95          HG12      ILE  95  13.213  -2.713  -7.311
  695   HG13  ILE  95          HG13      ILE  95  14.365  -1.808  -6.291
  696   HG21  ILE  95          HG21      ILE  95  16.335  -4.417  -5.017
  697   HG22  ILE  95          HG22      ILE  95  16.847  -3.679  -6.555
  698   HG23  ILE  95          HG23      ILE  95  16.145  -2.692  -5.274
  699   HD11  ILE  95          HD11      ILE  95  14.616  -1.275  -8.678
  700   HD12  ILE  95          HD12      ILE  95  16.085  -2.033  -8.048
  701   HD13  ILE  95          HD13      ILE  95  14.955  -2.965  -9.060
  702    H    PHE  96           H        PHE  96  16.900  -6.098  -7.716
  703    HA   PHE  96           HA       PHE  96  17.116  -7.360  -5.124
  704    HB2  PHE  96           HB2      PHE  96  16.561  -9.403  -6.187
  705    HB3  PHE  96           HB3      PHE  96  17.578  -9.037  -7.606
  706    HD1  PHE  96           HD2      PHE  96  18.133  -8.724  -3.888
  707    HD2  PHE  96           HD1      PHE  96  19.565 -10.384  -7.596
  708    HE1  PHE  96           HE2      PHE  96  20.132  -9.462  -2.746
  709    HE2  PHE  96           HE1      PHE  96  21.587 -11.211  -6.414
  710    HZ   PHE  96           HZ       PHE  96  21.898 -10.748  -3.991
  711    H    GLU  97           H        GLU  97  18.720  -6.298  -4.346
  712    HA   GLU  97           HA       GLU  97  21.168  -5.808  -5.921
  713    HB2  GLU  97           HB2      GLU  97  19.428  -3.756  -4.509
  714    HB3  GLU  97           HB3      GLU  97  21.164  -3.502  -4.687
  715    HG2  GLU  97           HG2      GLU  97  20.954  -3.630  -7.127
  716    HG3  GLU  97           HG3      GLU  97  19.213  -3.937  -6.980
  717    H    ASP  98           H        ASP  98  22.850  -5.154  -4.396
  718    HA   ASP  98           HA       ASP  98  22.482  -5.998  -1.633
  719    HB2  ASP  98           HB2      ASP  98  23.465  -7.984  -2.698
  720    HB3  ASP  98           HB3      ASP  98  24.876  -7.015  -3.154
  721    H    TRP  99           H        TRP  99  22.844  -4.124  -0.637
  722    HA   TRP  99           HA       TRP  99  24.629  -2.071  -1.753
  723    HB2  TRP  99           HB2      TRP  99  22.572  -2.030   0.471
  724    HB3  TRP  99           HB3      TRP  99  23.680  -0.715   0.193
  725    HD1  TRP  99           HD1      TRP  99  22.918  -1.843  -3.201
  726    HE1  TRP  99           HE1      TRP  99  20.864  -0.769  -4.207
  727    HE3  TRP  99           HE3      TRP  99  21.098   0.405   1.021
  728    HZ2  TRP  99           HZ2      TRP  99  18.433   0.480  -3.187
  729    HZ3  TRP  99           HZ3      TRP  99  18.835   1.427   0.986
  730    HH2  TRP  99           HH2      TRP  99  17.477   1.370  -1.078
  731    H    GLN 100           H        GLN 100  26.229  -3.640  -1.567
  732    HA   GLN 100           HA       GLN 100  27.807  -4.484   0.482
  733    HB2  GLN 100           HB2      GLN 100  29.558  -4.372  -1.232
  734    HB3  GLN 100           HB3      GLN 100  28.027  -5.068  -1.784
  735    HG2  GLN 100           HG2      GLN 100  27.650  -2.498  -2.642
  736    HG3  GLN 100           HG3      GLN 100  29.397  -2.499  -2.592
  737   HE21  GLN 100          HE22      GLN 100  26.573  -4.411  -3.863
  738   HE22  GLN 100          HE21      GLN 100  27.367  -4.851  -5.362
  739    H    LEU 101           H        LEU 101  26.982  -1.829   1.416
  740    HA   LEU 101           HA       LEU 101  29.093   0.070   0.917
  741    HB2  LEU 101           HB2      LEU 101  26.543  -0.023   2.592
  742    HB3  LEU 101           HB3      LEU 101  27.697   1.213   2.988
  743    HG   LEU 101           HG       LEU 101  25.848   1.961   1.513
  744   HD11  LEU 101          HD11      LEU 101  27.259   3.335   0.042
  745   HD12  LEU 101          HD12      LEU 101  27.939   3.234   1.677
  746   HD13  LEU 101          HD13      LEU 101  28.651   2.280   0.360
  747   HD21  LEU 101          HD21      LEU 101  27.284   0.480  -0.736
  748   HD22  LEU 101          HD22      LEU 101  25.766  -0.045   0.016
  749   HD23  LEU 101          HD23      LEU 101  25.834   1.496  -0.851
  750    H    GLU 102           H        GLU 102  29.824   1.237   3.152
  751    HA   GLU 102           HA       GLU 102  31.828  -0.001   4.391
  752    HB2  GLU 102           HB2      GLU 102  29.916   2.051   5.550
  753    HB3  GLU 102           HB3      GLU 102  31.427   1.599   6.334
  754    HG2  GLU 102           HG2      GLU 102  32.060   3.478   5.250
  755    HG3  GLU 102           HG3      GLU 102  32.562   2.244   4.106
  756    H    ASP 103           H        ASP 103  32.145  -0.519   6.672
  757    HA   ASP 103           HA       ASP 103  30.233  -2.619   7.576
  758    HB2  ASP 103           HB2      ASP 103  32.180  -3.282   6.047
  759    HB3  ASP 103           HB3      ASP 103  33.260  -2.883   7.378
  760    HA   PRO 104           HA       PRO 104  31.635   0.095  11.006
  761    HB2  PRO 104           HB2      PRO 104  29.356   1.361  11.804
  762    HB3  PRO 104           HB3      PRO 104  30.192   1.786  10.284
  763    HG2  PRO 104           HG2      PRO 104  27.862  -0.148  10.624
  764    HG3  PRO 104           HG3      PRO 104  27.962   1.255   9.514
  765    HD2  PRO 104           HD2      PRO 104  28.590  -1.286   8.712
  766    HD3  PRO 104           HD3      PRO 104  29.472   0.151   8.107
  767    H    ASP 105           H        ASP 105  31.895  -2.335  11.766
  768    HA   ASP 105           HA       ASP 105  29.864  -3.593  13.323
  769    HB2  ASP 105           HB2      ASP 105  32.002  -4.661  12.453
  770    HB3  ASP 105           HB3      ASP 105  32.859  -3.869  13.772
  771    H    GLY 106           H        GLY 106  32.392  -1.365  14.237
  772    HA2  GLY 106           HA2      GLY 106  31.021  -0.503  16.703
  773    HA3  GLY 106           HA3      GLY 106  32.531  -1.401  16.949
  774    H    GLN 107           H        GLN 107  31.550   0.929  14.425
  775    HA   GLN 107           HA       GLN 107  34.171   2.058  14.269
  776    HB2  GLN 107           HB2      GLN 107  31.493   2.320  12.917
  777    HB3  GLN 107           HB3      GLN 107  32.537   3.699  12.737
  778    HG2  GLN 107           HG2      GLN 107  33.469   0.873  12.186
  779    HG3  GLN 107           HG3      GLN 107  32.740   1.946  10.965
  780   HE21  GLN 107          HE22      GLN 107  34.789   1.465   9.818
  781   HE22  GLN 107          HE21      GLN 107  36.152   2.523  10.136
  782    H    SER 108           H        SER 108  34.475   4.340  13.917
  783    HA   SER 108           HA       SER 108  33.912   5.986  16.233
  784    HB2  SER 108           HB2      SER 108  35.084   6.701  13.503
  785    HB3  SER 108           HB3      SER 108  35.134   7.721  14.951
  786    HG   SER 108           HG       SER 108  37.097   6.513  14.662
  787    H    LEU 109           H        LEU 109  32.621   7.992  16.127
  788    HA   LEU 109           HA       LEU 109  30.082   7.608  14.959
  789    HB2  LEU 109           HB2      LEU 109  31.320  10.226  15.892
  790    HB3  LEU 109           HB3      LEU 109  29.626   9.971  15.516
  791    HG   LEU 109           HG       LEU 109  31.187   8.837  17.850
  792   HD11  LEU 109          HD11      LEU 109  28.647  10.529  17.686
  793   HD12  LEU 109          HD12      LEU 109  29.468  10.001  19.169
  794   HD13  LEU 109          HD13      LEU 109  30.273  11.124  18.063
  795   HD21  LEU 109          HD21      LEU 109  29.046   7.702  18.544
  796   HD22  LEU 109          HD22      LEU 109  28.432   7.956  16.895
  797   HD23  LEU 109          HD23      LEU 109  29.861   6.949  17.177
  798    H    GLU 110           H        GLU 110  32.909   9.298  13.637
  799    HA   GLU 110           HA       GLU 110  31.546  10.696  11.574
  800    HB2  GLU 110           HB2      GLU 110  34.367   9.531  11.563
  801    HB3  GLU 110           HB3      GLU 110  33.733  10.734  10.411
  802    HG2  GLU 110           HG2      GLU 110  33.167  12.189  12.377
  803    HG3  GLU 110           HG3      GLU 110  34.034  11.030  13.407
  804    H    VAL 111           H        VAL 111  32.787   7.314  11.669
  805    HA   VAL 111           HA       VAL 111  32.024   6.954   8.899
  806    HB   VAL 111           HB       VAL 111  32.799   4.940  11.026
  807   HG11  VAL 111          HG11      VAL 111  33.234   3.409   9.024
  808   HG12  VAL 111          HG12      VAL 111  31.540   3.716   9.380
  809   HG13  VAL 111          HG13      VAL 111  32.338   4.578   8.035
  810   HG21  VAL 111          HG21      VAL 111  34.381   6.186   8.725
  811   HG22  VAL 111          HG22      VAL 111  34.666   6.441  10.459
  812   HG23  VAL 111          HG23      VAL 111  34.970   4.862   9.746
  813    H    PHE 112           H        PHE 112  30.480   6.212  12.096
  814    HA   PHE 112           HA       PHE 112  28.126   5.042  11.048
  815    HB2  PHE 112           HB2      PHE 112  28.581   6.843  13.431
  816    HB3  PHE 112           HB3      PHE 112  26.977   6.481  12.863
  817    HD1  PHE 112           HD2      PHE 112  30.084   4.807  14.123
  818    HD2  PHE 112           HD1      PHE 112  25.834   4.534  13.430
  819    HE1  PHE 112           HE2      PHE 112  29.978   2.759  15.521
  820    HE2  PHE 112           HE1      PHE 112  25.729   2.539  14.878
  821    HZ   PHE 112           HZ       PHE 112  27.814   1.612  15.893
  822    H    ARG 113           H        ARG 113  28.817   8.585  11.397
  823    HA   ARG 113           HA       ARG 113  26.433   9.520  10.162
  824    HB2  ARG 113           HB2      ARG 113  29.250  10.723  10.053
  825    HB3  ARG 113           HB3      ARG 113  27.797  11.540   9.511
  826    HG2  ARG 113           HG2      ARG 113  26.864  11.379  11.830
  827    HG3  ARG 113           HG3      ARG 113  28.392  10.689  12.384
  828    HD2  ARG 113           HD2      ARG 113  29.612  12.670  11.725
  829    HD3  ARG 113           HD3      ARG 113  28.146  13.404  11.041
  830    HE   ARG 113           HE       ARG 113  27.236  13.037  13.484
  831   HH11  ARG 113          HH11      ARG 113  30.416  14.379  12.518
  832   HH12  ARG 113          HH12      ARG 113  30.612  15.288  13.972
  833   HH21  ARG 113          HH22      ARG 113  27.508  14.205  15.360
  834   HH22  ARG 113          HH21      ARG 113  28.910  15.211  15.643
  835    H    THR 114           H        THR 114  29.578   8.628   8.703
  836    HA   THR 114           HA       THR 114  28.851   9.468   6.101
  837    HB   THR 114           HB       THR 114  30.896   7.380   6.981
  838    HG1  THR 114           HG1      THR 114  31.358   9.354   7.911
  839   HG21  THR 114          HG21      THR 114  32.065   7.944   4.864
  840   HG22  THR 114          HG22      THR 114  30.499   7.181   4.586
  841   HG23  THR 114          HG23      THR 114  30.668   8.935   4.371
  842    H    VAL 115           H        VAL 115  28.541   6.282   7.785
  843    HA   VAL 115           HA       VAL 115  27.909   4.908   5.332
  844    HB   VAL 115           HB       VAL 115  27.068   3.950   8.103
  845   HG11  VAL 115          HG11      VAL 115  27.657   2.506   5.486
  846   HG12  VAL 115          HG12      VAL 115  27.320   1.699   7.038
  847   HG13  VAL 115          HG13      VAL 115  26.077   2.694   6.270
  848   HG21  VAL 115          HG21      VAL 115  29.356   2.525   7.666
  849   HG22  VAL 115          HG22      VAL 115  29.839   4.126   7.037
  850   HG23  VAL 115          HG23      VAL 115  29.219   3.911   8.692
  851    H    ARG 116           H        ARG 116  25.967   6.056   8.072
  852    HA   ARG 116           HA       ARG 116  23.359   5.801   7.207
  853    HB2  ARG 116           HB2      ARG 116  24.076   6.677   9.357
  854    HB3  ARG 116           HB3      ARG 116  24.904   8.022   8.595
  855    HG2  ARG 116           HG2      ARG 116  22.589   8.881   7.853
  856    HG3  ARG 116           HG3      ARG 116  21.942   7.653   8.972
  857    HD2  ARG 116           HD2      ARG 116  22.145   9.392  10.408
  858    HD3  ARG 116           HD3      ARG 116  23.793   8.654  10.575
  859    HE   ARG 116           HE       ARG 116  23.773  10.639   8.496
  860   HH11  ARG 116          HH21      ARG 116  23.533  10.583  12.043
  861   HH12  ARG 116          HH22      ARG 116  24.655  11.885  12.291
  862   HH21  ARG 116          HH11      ARG 116  24.975  12.595   8.803
  863   HH22  ARG 116          HH12      ARG 116  25.246  13.189  10.397
  864    H    GLY 117           H        GLY 117  25.511   8.648   6.332
  865    HA2  GLY 117           HA2      GLY 117  23.481   9.780   4.689
  866    HA3  GLY 117           HA3      GLY 117  25.221  10.174   4.614
  867    H    GLN 118           H        GLN 118  26.260   7.630   3.807
  868    HA   GLN 118           HA       GLN 118  25.679   7.684   1.037
  869    HB2  GLN 118           HB2      GLN 118  27.056   5.583   2.772
  870    HB3  GLN 118           HB3      GLN 118  26.953   5.508   1.010
  871    HG2  GLN 118           HG2      GLN 118  27.833   8.116   1.412
  872    HG3  GLN 118           HG3      GLN 118  28.635   7.251   2.721
  873   HE21  GLN 118          HE22      GLN 118  30.164   5.470   2.162
  874   HE22  GLN 118          HE21      GLN 118  30.817   5.383   0.543
  875    H    VAL 119           H        VAL 119  24.409   5.659   3.635
  876    HA   VAL 119           HA       VAL 119  22.876   3.888   1.978
  877    HB   VAL 119           HB       VAL 119  22.674   4.761   4.887
  878   HG11  VAL 119          HG11      VAL 119  20.384   4.216   4.257
  879   HG12  VAL 119          HG12      VAL 119  20.935   2.703   3.500
  880   HG13  VAL 119          HG13      VAL 119  21.088   2.939   5.263
  881   HG21  VAL 119          HG21      VAL 119  23.315   2.043   3.614
  882   HG22  VAL 119          HG22      VAL 119  24.558   3.180   4.125
  883   HG23  VAL 119          HG23      VAL 119  23.462   2.478   5.329
  884    H    LYS 120           H        LYS 120  22.162   7.132   3.479
  885    HA   LYS 120           HA       LYS 120  19.449   7.122   2.796
  886    HB2  LYS 120           HB2      LYS 120  19.347   9.234   3.554
  887    HB3  LYS 120           HB3      LYS 120  20.862   8.743   4.258
  888    HG2  LYS 120           HG2      LYS 120  21.845  10.539   3.443
  889    HG3  LYS 120           HG3      LYS 120  21.625  10.004   1.813
  890    HD2  LYS 120           HD2      LYS 120  19.626  11.654   3.424
  891    HD3  LYS 120           HD3      LYS 120  20.762  12.278   2.219
  892    HE2  LYS 120           HE2      LYS 120  19.651  10.900   0.455
  893    HE3  LYS 120           HE3      LYS 120  18.474  10.330   1.647
  894    HZ1  LYS 120           HZ1      LYS 120  18.832  13.155   0.798
  895    HZ2  LYS 120           HZ2      LYS 120  17.599  12.175   0.354
  896    HZ3  LYS 120           HZ3      LYS 120  17.747  12.657   1.921
  897    H    GLU 121           H        GLU 121  22.222   8.049   0.790
  898    HA   GLU 121           HA       GLU 121  20.651   8.935  -1.444
  899    HB2  GLU 121           HB2      GLU 121  23.488   7.787  -1.350
  900    HB3  GLU 121           HB3      GLU 121  22.777   8.630  -2.725
  901    HG2  GLU 121           HG2      GLU 121  22.550  10.684  -1.361
  902    HG3  GLU 121           HG3      GLU 121  23.303   9.870   0.008
  903    H    ARG 122           H        ARG 122  22.078   5.685  -0.609
  904    HA   ARG 122           HA       ARG 122  21.188   4.499  -3.100
  905    HB2  ARG 122           HB2      ARG 122  22.068   3.321  -0.427
  906    HB3  ARG 122           HB3      ARG 122  21.378   2.352  -1.720
  907    HG2  ARG 122           HG2      ARG 122  23.674   2.134  -2.000
  908    HG3  ARG 122           HG3      ARG 122  23.105   3.191  -3.301
  909    HD2  ARG 122           HD2      ARG 122  23.926   5.164  -2.013
  910    HD3  ARG 122           HD3      ARG 122  24.523   4.050  -0.755
  911    HE   ARG 122           HE       ARG 122  25.642   3.226  -3.196
  912   HH11  ARG 122          HH11      ARG 122  25.721   6.186  -1.231
  913   HH12  ARG 122          HH12      ARG 122  27.413   6.496  -1.509
  914   HH21  ARG 122          HH21      ARG 122  27.856   3.729  -3.685
  915   HH22  ARG 122          HH22      ARG 122  28.601   5.129  -3.003
  916    H    VAL 123           H        VAL 123  19.721   4.605   0.193
  917    HA   VAL 123           HA       VAL 123  17.324   3.308  -0.349
  918    HB   VAL 123           HB       VAL 123  17.982   5.639   1.401
  919   HG11  VAL 123          HG11      VAL 123  15.908   5.108   2.638
  920   HG12  VAL 123          HG12      VAL 123  15.621   5.804   1.058
  921   HG13  VAL 123          HG13      VAL 123  15.425   4.042   1.294
  922   HG21  VAL 123          HG21      VAL 123  19.043   3.415   2.000
  923   HG22  VAL 123          HG22      VAL 123  17.959   4.054   3.232
  924   HG23  VAL 123          HG23      VAL 123  17.396   2.752   2.176
  925    H    GLU 124           H        GLU 124  18.024   6.806  -0.771
  926    HA   GLU 124           HA       GLU 124  15.484   7.341  -1.841
  927    HB2  GLU 124           HB2      GLU 124  16.942   8.882  -0.759
  928    HB3  GLU 124           HB3      GLU 124  18.108   8.825  -2.122
  929    HG2  GLU 124           HG2      GLU 124  16.350   9.693  -3.607
  930    HG3  GLU 124           HG3      GLU 124  15.206   9.710  -2.234
  931    H    ASN 125           H        ASN 125  18.475   6.314  -3.456
  932    HA   ASN 125           HA       ASN 125  17.551   6.628  -6.131
  933    HB2  ASN 125           HB2      ASN 125  19.654   4.931  -4.820
  934    HB3  ASN 125           HB3      ASN 125  19.119   4.488  -6.427
  935   HD21  ASN 125          HD22      ASN 125  20.444   7.252  -4.565
  936   HD22  ASN 125          HD21      ASN 125  21.190   8.040  -5.953
  937    H    LEU 126           H        LEU 126  17.312   3.848  -3.873
  938    HA   LEU 126           HA       LEU 126  15.899   2.117  -5.666
  939    HB2  LEU 126           HB2      LEU 126  16.532   0.898  -3.973
  940    HB3  LEU 126           HB3      LEU 126  16.532   2.236  -2.815
  941    HG   LEU 126           HG       LEU 126  13.850   1.173  -3.510
  942   HD11  LEU 126          HD11      LEU 126  15.110  -0.917  -3.481
  943   HD12  LEU 126          HD12      LEU 126  15.812  -0.450  -1.907
  944   HD13  LEU 126          HD13      LEU 126  14.090  -0.773  -2.040
  945   HD21  LEU 126          HD21      LEU 126  15.170   1.598  -0.799
  946   HD22  LEU 126          HD22      LEU 126  14.295   2.859  -1.674
  947   HD23  LEU 126          HD23      LEU 126  13.434   1.408  -1.137
  948    H    ILE 127           H        ILE 127  14.760   4.516  -3.360
  949    HA   ILE 127           HA       ILE 127  11.938   4.190  -3.805
  950    HB   ILE 127           HB       ILE 127  13.850   6.235  -2.718
  951   HG12  ILE 127          HG12      ILE 127  11.323   5.387  -1.328
  952   HG13  ILE 127          HG13      ILE 127  12.440   4.070  -1.692
  953   HG21  ILE 127          HG21      ILE 127  12.027   7.781  -2.060
  954   HG22  ILE 127          HG22      ILE 127  12.495   7.827  -3.763
  955   HG23  ILE 127          HG23      ILE 127  11.001   7.004  -3.288
  956   HD11  ILE 127          HD11      ILE 127  12.694   5.413   0.543
  957   HD12  ILE 127          HD12      ILE 127  14.087   4.853  -0.395
  958   HD13  ILE 127          HD13      ILE 127  13.637   6.562  -0.473
  959    H    ALA 128           H        ALA 128  14.401   6.287  -5.482
  960    HA   ALA 128           HA       ALA 128  12.549   7.470  -7.234
  961    HB1  ALA 128           HB1      ALA 128  15.493   6.914  -7.778
  962    HB2  ALA 128           HB2      ALA 128  14.475   8.124  -8.579
  963    HB3  ALA 128           HB3      ALA 128  14.870   8.304  -6.855
  964    H    LYS 129           H        LYS 129  14.149   4.275  -7.445
  965    HA   LYS 129           HA       LYS 129  13.194   3.770 -10.098
  966    HB2  LYS 129           HB2      LYS 129  13.973   1.799  -7.925
  967    HB3  LYS 129           HB3      LYS 129  13.739   1.418  -9.626
  968    HG2  LYS 129           HG2      LYS 129  15.647   2.772 -10.280
  969    HG3  LYS 129           HG3      LYS 129  15.840   3.377  -8.626
  970    HD2  LYS 129           HD2      LYS 129  16.197   1.098  -7.795
  971    HD3  LYS 129           HD3      LYS 129  16.138   0.493  -9.480
  972    HE2  LYS 129           HE2      LYS 129  17.993   2.241  -9.963
  973    HE3  LYS 129           HE3      LYS 129  18.152   2.390  -8.204
  974    HZ1  LYS 129           HZ1      LYS 129  18.667  -0.056  -8.172
  975    HZ2  LYS 129           HZ2      LYS 129  18.607  -0.072  -9.811
  976    HZ3  LYS 129           HZ3      LYS 129  19.752   0.806  -9.046
  977    H    ILE 130           H        ILE 130  11.918   2.967  -6.798
  978    HA   ILE 130           HA       ILE 130   9.674   1.690  -8.111
  979    HB   ILE 130           HB       ILE 130   9.267   0.724  -5.961
  980   HG12  ILE 130          HG12      ILE 130  11.574   2.161  -4.810
  981   HG13  ILE 130          HG13      ILE 130   9.906   2.116  -4.289
  982   HG21  ILE 130          HG21      ILE 130  10.928  -0.932  -6.262
  983   HG22  ILE 130          HG22      ILE 130  10.736  -0.192  -7.827
  984   HG23  ILE 130          HG23      ILE 130  12.134   0.259  -6.814
  985   HD11  ILE 130          HD11      ILE 130  11.208   0.662  -2.860
  986   HD12  ILE 130          HD12      ILE 130  10.147  -0.370  -3.872
  987   HD13  ILE 130          HD13      ILE 130  11.888  -0.191  -4.248
  988    H    SER 131           H        SER 131   9.905   4.386  -5.766
  989    HA   SER 131           HA       SER 131   7.319   4.158  -4.757
  990    HB2  SER 131           HB2      SER 131   9.109   6.578  -5.062
  991    HB3  SER 131           HB3      SER 131   7.585   6.557  -4.152
  992    HG   SER 131           HG       SER 131   9.219   5.963  -2.700
  Start of MODEL    8
    1    H    MET   1           H        MET   1   1.288  -0.934   2.640
    2    HA   MET   1           HA       MET   1   1.114   0.262  -0.052
    3    HB2  MET   1           HB2      MET   1   1.396   1.711   2.174
    4    HB3  MET   1           HB3      MET   1   3.063   1.164   2.098
    5    HG2  MET   1           HG2      MET   1   2.733   3.359   1.074
    6    HG3  MET   1           HG3      MET   1   3.279   2.200  -0.142
    7    HE1  MET   1           HE1      MET   1   1.857   5.217  -0.514
    8    HE2  MET   1           HE2      MET   1   2.639   4.266  -1.802
    9    HE3  MET   1           HE3      MET   1   0.977   4.865  -2.011
   10    H    LYS   2           H        LYS   2   3.623   0.339  -1.066
   11    HA   LYS   2           HA       LYS   2   4.173  -2.478  -1.325
   12    HB2  LYS   2           HB2      LYS   2   6.222  -1.622  -2.665
   13    HB3  LYS   2           HB3      LYS   2   4.597  -1.352  -3.299
   14    HG2  LYS   2           HG2      LYS   2   5.456   0.863  -1.662
   15    HG3  LYS   2           HG3      LYS   2   6.676   0.467  -2.886
   16    HD2  LYS   2           HD2      LYS   2   5.128   0.791  -4.680
   17    HD3  LYS   2           HD3      LYS   2   3.715   0.753  -3.591
   18    HE2  LYS   2           HE2      LYS   2   4.388   2.851  -2.544
   19    HE3  LYS   2           HE3      LYS   2   5.878   2.891  -3.484
   20    HZ1  LYS   2           HZ1      LYS   2   3.141   3.103  -4.674
   21    HZ2  LYS   2           HZ2      LYS   2   4.211   4.349  -4.489
   22    HZ3  LYS   2           HZ3      LYS   2   4.578   3.154  -5.495
   23    H    LYS   3           H        LYS   3   5.644  -3.745  -0.285
   24    HA   LYS   3           HA       LYS   3   6.785  -2.454   2.112
   25    HB2  LYS   3           HB2      LYS   3   6.795  -5.406   1.661
   26    HB3  LYS   3           HB3      LYS   3   6.793  -4.508   3.168
   27    HG2  LYS   3           HG2      LYS   3   4.407  -3.859   2.719
   28    HG3  LYS   3           HG3      LYS   3   4.456  -4.823   1.233
   29    HD2  LYS   3           HD2      LYS   3   3.330  -5.995   3.070
   30    HD3  LYS   3           HD3      LYS   3   4.733  -6.868   2.451
   31    HE2  LYS   3           HE2      LYS   3   6.079  -6.333   4.335
   32    HE3  LYS   3           HE3      LYS   3   4.923  -5.114   4.926
   33    HZ1  LYS   3           HZ1      LYS   3   4.818  -7.269   6.136
   34    HZ2  LYS   3           HZ2      LYS   3   3.384  -6.874   5.459
   35    HZ3  LYS   3           HZ3      LYS   3   4.318  -8.024   4.764
   36    H    VAL   4           H        VAL   4   8.893  -2.569   2.665
   37    HA   VAL   4           HA       VAL   4  10.759  -3.572   0.614
   38    HB   VAL   4           HB       VAL   4  11.268  -1.241   2.440
   39   HG11  VAL   4          HG11      VAL   4  13.339  -2.137   1.656
   40   HG12  VAL   4          HG12      VAL   4  12.716  -2.402   0.037
   41   HG13  VAL   4          HG13      VAL   4  13.020  -0.748   0.622
   42   HG21  VAL   4          HG21      VAL   4  10.924   0.191   0.346
   43   HG22  VAL   4          HG22      VAL   4  10.208  -1.230  -0.437
   44   HG23  VAL   4          HG23      VAL   4   9.441  -0.521   0.990
   45    H    MET   5           H        MET   5  12.805  -4.404   1.488
   46    HA   MET   5           HA       MET   5  12.854  -4.917   4.411
   47    HB2  MET   5           HB2      MET   5  11.953  -6.914   3.254
   48    HB3  MET   5           HB3      MET   5  13.371  -6.886   2.177
   49    HG2  MET   5           HG2      MET   5  13.625  -8.581   3.958
   50    HG3  MET   5           HG3      MET   5  14.877  -7.345   3.992
   51    HE1  MET   5           HE1      MET   5  12.012  -9.120   5.764
   52    HE2  MET   5           HE2      MET   5  11.540  -8.028   7.085
   53    HE3  MET   5           HE3      MET   5  11.150  -7.605   5.404
   54    H    PHE   6           H        PHE   6  14.926  -4.879   5.218
   55    HA   PHE   6           HA       PHE   6  17.141  -4.315   3.323
   56    HB2  PHE   6           HB2      PHE   6  16.564  -3.018   5.973
   57    HB3  PHE   6           HB3      PHE   6  18.063  -2.831   5.032
   58    HD1  PHE   6           HD1      PHE   6  18.030  -1.645   2.827
   59    HD2  PHE   6           HD2      PHE   6  14.484  -2.011   5.235
   60    HE1  PHE   6           HE1      PHE   6  16.875   0.020   1.405
   61    HE2  PHE   6           HE2      PHE   6  13.299  -0.494   3.736
   62    HZ   PHE   6           HZ       PHE   6  14.521   0.664   1.880
   63    H    VAL   7           H        VAL   7  18.388  -6.151   3.427
   64    HA   VAL   7           HA       VAL   7  18.108  -7.895   5.816
   65    HB   VAL   7           HB       VAL   7  19.538  -8.619   3.250
   66   HG11  VAL   7          HG11      VAL   7  19.815 -10.166   5.120
   67   HG12  VAL   7          HG12      VAL   7  18.049 -10.346   5.242
   68   HG13  VAL   7          HG13      VAL   7  18.912 -10.879   3.784
   69   HG21  VAL   7          HG21      VAL   7  16.543  -8.884   3.768
   70   HG22  VAL   7          HG22      VAL   7  17.251  -7.826   2.537
   71   HG23  VAL   7          HG23      VAL   7  17.423  -9.580   2.386
   72    H    CYS   8           H        CYS   8  19.887  -8.366   7.165
   73    HA   CYS   8           HA       CYS   8  22.284  -6.635   6.712
   74    HB2  CYS   8           HB2      CYS   8  21.345  -7.943   9.248
   75    HB3  CYS   8           HB3      CYS   8  22.450  -6.577   9.148
   76    HG   CYS   8           HG       CYS   8  19.194  -6.689   8.405
   77    H    LYS   9           H        LYS   9  24.290  -7.540   7.914
   78    HA   LYS   9           HA       LYS   9  24.430 -10.419   8.249
   79    HB2  LYS   9           HB2      LYS   9  24.894 -10.118   5.775
   80    HB3  LYS   9           HB3      LYS   9  26.344  -9.199   6.197
   81    HG2  LYS   9           HG2      LYS   9  27.194 -11.221   7.450
   82    HG3  LYS   9           HG3      LYS   9  25.711 -12.075   7.011
   83    HD2  LYS   9           HD2      LYS   9  27.333 -12.855   5.501
   84    HD3  LYS   9           HD3      LYS   9  26.350 -11.725   4.563
   85    HE2  LYS   9           HE2      LYS   9  28.131  -9.946   4.973
   86    HE3  LYS   9           HE3      LYS   9  29.078 -11.163   5.840
   87    HZ1  LYS   9           HZ1      LYS   9  29.852 -11.000   3.585
   88    HZ2  LYS   9           HZ2      LYS   9  29.143 -12.458   3.742
   89    HZ3  LYS   9           HZ3      LYS   9  28.361 -11.233   2.951
   90    H    ARG  10           H        ARG  10  26.474  -7.464   7.854
   91    HA   ARG  10           HA       ARG  10  27.607  -7.962  10.575
   92    HB2  ARG  10           HB2      ARG  10  29.227  -7.875   8.690
   93    HB3  ARG  10           HB3      ARG  10  28.669  -6.268   8.233
   94    HG2  ARG  10           HG2      ARG  10  29.699  -5.232  10.036
   95    HG3  ARG  10           HG3      ARG  10  29.779  -6.715  11.025
   96    HD2  ARG  10           HD2      ARG  10  31.345  -6.305   8.464
   97    HD3  ARG  10           HD3      ARG  10  31.950  -5.789  10.057
   98    HE   ARG  10           HE       ARG  10  31.262  -8.500  10.300
   99   HH11  ARG  10          HH11      ARG  10  33.520  -6.512   8.374
  100   HH12  ARG  10          HH12      ARG  10  34.779  -7.706   8.369
  101   HH21  ARG  10          HH21      ARG  10  32.934 -10.110  10.246
  102   HH22  ARG  10          HH22      ARG  10  34.427  -9.799   9.441
  103    H    ASN  11           H        ASN  11  28.230  -5.565  11.398
  104    HA   ASN  11           HA       ASN  11  26.285  -4.788  12.908
  105    HB2  ASN  11           HB2      ASN  11  28.672  -3.972  12.821
  106    HB3  ASN  11           HB3      ASN  11  28.126  -2.661  11.774
  107   HD21  ASN  11          HD22      ASN  11  29.323  -2.362  14.379
  108   HD22  ASN  11          HD21      ASN  11  28.124  -1.678  15.478
  109    H    SER  12           H        SER  12  24.411  -3.957  12.937
  110    HA   SER  12           HA       SER  12  22.781  -3.522  10.812
  111    HB2  SER  12           HB2      SER  12  22.288  -2.318  13.552
  112    HB3  SER  12           HB3      SER  12  21.184  -3.255  12.523
  113    HG   SER  12           HG       SER  12  22.190  -4.342  14.466
  114    H    CYS  13           H        CYS  13  24.953  -1.115  12.171
  115    HA   CYS  13           HA       CYS  13  23.547   1.252  11.543
  116    HB2  CYS  13           HB2      CYS  13  25.991   2.206  11.358
  117    HB3  CYS  13           HB3      CYS  13  25.444   1.573  12.913
  118    HG   CYS  13           HG       CYS  13  27.935   0.894  12.530
  119    H    ARG  14           H        ARG  14  24.811  -1.003   9.209
  120    HA   ARG  14           HA       ARG  14  24.452   1.183   7.170
  121    HB2  ARG  14           HB2      ARG  14  25.586  -0.076   5.576
  122    HB3  ARG  14           HB3      ARG  14  26.551  -0.095   7.042
  123    HG2  ARG  14           HG2      ARG  14  25.861  -2.450   7.471
  124    HG3  ARG  14           HG3      ARG  14  24.862  -2.408   6.005
  125    HD2  ARG  14           HD2      ARG  14  27.007  -1.803   4.712
  126    HD3  ARG  14           HD3      ARG  14  27.904  -2.224   6.167
  127    HE   ARG  14           HE       ARG  14  26.077  -4.348   5.500
  128   HH11  ARG  14          HH21      ARG  14  29.125  -2.916   4.358
  129   HH12  ARG  14          HH22      ARG  14  29.697  -4.374   3.637
  130   HH21  ARG  14          HH11      ARG  14  26.711  -6.197   4.205
  131   HH22  ARG  14          HH12      ARG  14  28.357  -6.309   3.688
  132    H    SER  15           H        SER  15  23.138  -2.050   8.057
  133    HA   SER  15           HA       SER  15  21.248  -1.968   5.817
  134    HB2  SER  15           HB2      SER  15  20.879  -4.337   6.849
  135    HB3  SER  15           HB3      SER  15  22.446  -3.961   6.118
  136    HG   SER  15           HG       SER  15  23.116  -4.656   8.104
  137    H    GLN  16           H        GLN  16  20.900  -2.413   9.413
  138    HA   GLN  16           HA       GLN  16  18.036  -1.892   9.324
  139    HB2  GLN  16           HB2      GLN  16  19.078  -3.121  11.120
  140    HB3  GLN  16           HB3      GLN  16  20.051  -1.685  11.576
  141    HG2  GLN  16           HG2      GLN  16  17.923  -0.475  12.093
  142    HG3  GLN  16           HG3      GLN  16  17.026  -1.939  11.720
  143   HE21  GLN  16          HE22      GLN  16  16.707  -3.389  13.397
  144   HE22  GLN  16          HE21      GLN  16  17.352  -3.122  15.004
  145    H    MET  17           H        MET  17  20.938   0.216   9.507
  146    HA   MET  17           HA       MET  17  19.507   2.659   9.910
  147    HB2  MET  17           HB2      MET  17  21.947   2.586   9.934
  148    HB3  MET  17           HB3      MET  17  21.926   2.031   8.211
  149    HG2  MET  17           HG2      MET  17  22.587   4.303   8.287
  150    HG3  MET  17           HG3      MET  17  21.066   4.176   7.456
  151    HE1  MET  17           HE1      MET  17  18.812   6.290  10.244
  152    HE2  MET  17           HE2      MET  17  18.709   5.765   8.565
  153    HE3  MET  17           HE3      MET  17  18.699   4.544   9.882
  154    H    ALA  18           H        ALA  18  20.163   0.783   6.884
  155    HA   ALA  18           HA       ALA  18  19.004   2.692   5.183
  156    HB1  ALA  18           HB1      ALA  18  18.903  -0.333   4.820
  157    HB2  ALA  18           HB2      ALA  18  18.966   0.911   3.551
  158    HB3  ALA  18           HB3      ALA  18  20.374   0.632   4.616
  159    H    GLU  19           H        GLU  19  17.431   0.064   7.101
  160    HA   GLU  19           HA       GLU  19  14.777   0.674   6.279
  161    HB2  GLU  19           HB2      GLU  19  15.556  -1.302   7.694
  162    HB3  GLU  19           HB3      GLU  19  15.597  -0.187   9.064
  163    HG2  GLU  19           HG2      GLU  19  13.117   0.362   8.286
  164    HG3  GLU  19           HG3      GLU  19  13.254  -1.195   7.478
  165    H    GLY  20           H        GLY  20  16.887   2.267   8.810
  166    HA2  GLY  20           HA2      GLY  20  14.719   3.727   9.975
  167    HA3  GLY  20           HA3      GLY  20  16.448   4.080  10.135
  168    H    PHE  21           H        PHE  21  17.157   4.548   7.457
  169    HA   PHE  21           HA       PHE  21  16.095   7.231   6.990
  170    HB2  PHE  21           HB2      PHE  21  17.875   5.324   5.453
  171    HB3  PHE  21           HB3      PHE  21  17.236   6.769   4.673
  172    HD1  PHE  21           HD1      PHE  21  17.451   8.996   6.328
  173    HD2  PHE  21           HD2      PHE  21  20.131   5.611   6.114
  174    HE1  PHE  21           HE1      PHE  21  19.302  10.389   7.181
  175    HE2  PHE  21           HE2      PHE  21  21.944   6.989   6.891
  176    HZ   PHE  21           HZ       PHE  21  21.560   9.417   7.476
  177    H    ALA  22           H        ALA  22  15.360   3.930   5.685
  178    HA   ALA  22           HA       ALA  22  13.691   5.033   3.650
  179    HB1  ALA  22           HB1      ALA  22  13.862   2.241   4.825
  180    HB2  ALA  22           HB2      ALA  22  12.981   2.656   3.329
  181    HB3  ALA  22           HB3      ALA  22  14.744   2.849   3.416
  182    H    LYS  23           H        LYS  23  12.863   3.825   6.958
  183    HA   LYS  23           HA       LYS  23  10.057   4.269   6.574
  184    HB2  LYS  23           HB2      LYS  23   9.779   3.791   8.848
  185    HB3  LYS  23           HB3      LYS  23  11.173   2.815   8.345
  186    HG2  LYS  23           HG2      LYS  23  12.686   4.510   9.317
  187    HG3  LYS  23           HG3      LYS  23  11.298   5.483   9.826
  188    HD2  LYS  23           HD2      LYS  23  10.565   3.568  11.280
  189    HD3  LYS  23           HD3      LYS  23  12.085   2.736  10.857
  190    HE2  LYS  23           HE2      LYS  23  13.364   4.751  11.679
  191    HE3  LYS  23           HE3      LYS  23  11.838   5.519  12.140
  192    HZ1  LYS  23           HZ1      LYS  23  12.868   2.971  13.264
  193    HZ2  LYS  23           HZ2      LYS  23  13.021   4.414  13.986
  194    HZ3  LYS  23           HZ3      LYS  23  11.505   3.770  13.782
  195    H    THR  24           H        THR  24  12.677   6.420   7.335
  196    HA   THR  24           HA       THR  24  11.115   8.665   8.247
  197    HB   THR  24           HB       THR  24  13.944   7.981   7.435
  198    HG1  THR  24           HG1      THR  24  13.669   7.452   9.439
  199   HG21  THR  24          HG21      THR  24  13.121  10.802   8.062
  200   HG22  THR  24          HG22      THR  24  14.786  10.155   8.034
  201   HG23  THR  24          HG23      THR  24  13.839  10.161   6.545
  202    H    LEU  25           H        LEU  25  12.843   7.871   5.220
  203    HA   LEU  25           HA       LEU  25  11.964  10.282   3.914
  204    HB2  LEU  25           HB2      LEU  25  13.657   7.915   3.152
  205    HB3  LEU  25           HB3      LEU  25  13.316   9.220   2.002
  206    HG   LEU  25           HG       LEU  25  14.725   9.528   4.655
  207   HD11  LEU  25          HD11      LEU  25  16.044   8.179   3.003
  208   HD12  LEU  25          HD12      LEU  25  15.824   9.481   1.811
  209   HD13  LEU  25          HD13      LEU  25  16.784   9.760   3.284
  210   HD21  LEU  25          HD21      LEU  25  15.403  11.759   3.753
  211   HD22  LEU  25          HD22      LEU  25  14.361  11.486   2.339
  212   HD23  LEU  25          HD23      LEU  25  13.660  11.643   3.966
  213    H    GLY  26           H        GLY  26  11.044   6.889   3.893
  214    HA2  GLY  26           HA2      GLY  26   9.334   7.086   1.482
  215    HA3  GLY  26           HA3      GLY  26   9.850   5.630   2.380
  216    H    ALA  27           H        ALA  27   8.814   8.190   4.419
  217    HA   ALA  27           HA       ALA  27   6.893   6.567   5.677
  218    HB1  ALA  27           HB1      ALA  27   8.171   8.438   6.767
  219    HB2  ALA  27           HB2      ALA  27   7.257   9.608   5.806
  220    HB3  ALA  27           HB3      ALA  27   6.419   8.601   7.009
  221    H    GLY  28           H        GLY  28   4.888   6.030   5.023
  222    HA2  GLY  28           HA2      GLY  28   2.730   6.329   4.256
  223    HA3  GLY  28           HA3      GLY  28   3.091   8.028   3.880
  224    H    LYS  29           H        LYS  29   5.432   6.018   2.468
  225    HA   LYS  29           HA       LYS  29   4.041   6.005  -0.136
  226    HB2  LYS  29           HB2      LYS  29   6.921   6.581   0.560
  227    HB3  LYS  29           HB3      LYS  29   6.322   6.395  -1.092
  228    HG2  LYS  29           HG2      LYS  29   5.353   8.462   0.914
  229    HG3  LYS  29           HG3      LYS  29   6.562   8.774  -0.339
  230    HD2  LYS  29           HD2      LYS  29   4.822   8.227  -2.083
  231    HD3  LYS  29           HD3      LYS  29   3.621   8.057  -0.788
  232    HE2  LYS  29           HE2      LYS  29   4.065  10.392  -0.065
  233    HE3  LYS  29           HE3      LYS  29   5.249  10.576  -1.364
  234    HZ1  LYS  29           HZ1      LYS  29   3.442  10.232  -2.968
  235    HZ2  LYS  29           HZ2      LYS  29   2.346  10.073  -1.758
  236    HZ3  LYS  29           HZ3      LYS  29   3.110  11.494  -1.990
  237    H    ILE  30           H        ILE  30   6.074   4.327   2.214
  238    HA   ILE  30           HA       ILE  30   5.597   1.783   0.802
  239    HB   ILE  30           HB       ILE  30   7.976   1.141   1.285
  240   HG12  ILE  30          HG12      ILE  30   8.705   4.068   1.383
  241   HG13  ILE  30          HG13      ILE  30   8.327   3.217   2.878
  242   HG21  ILE  30          HG21      ILE  30   7.214   1.710  -0.956
  243   HG22  ILE  30          HG22      ILE  30   7.691   3.410  -0.727
  244   HG23  ILE  30          HG23      ILE  30   8.918   2.142  -0.711
  245   HD11  ILE  30          HD11      ILE  30  10.082   1.515   2.342
  246   HD12  ILE  30          HD12      ILE  30  10.567   2.521   0.948
  247   HD13  ILE  30          HD13      ILE  30  10.692   3.157   2.602
  248    H    ALA  31           H        ALA  31   6.341  -0.005   2.225
  249    HA   ALA  31           HA       ALA  31   6.035   0.591   5.163
  250    HB1  ALA  31           HB1      ALA  31   4.167  -0.858   4.367
  251    HB2  ALA  31           HB2      ALA  31   5.343  -1.985   3.660
  252    HB3  ALA  31           HB3      ALA  31   5.277  -1.767   5.414
  253    H    VAL  32           H        VAL  32   7.804  -0.292   6.409
  254    HA   VAL  32           HA       VAL  32  10.087  -1.232   4.791
  255    HB   VAL  32           HB       VAL  32  10.315   0.770   7.022
  256   HG11  VAL  32          HG11      VAL  32  12.278  -0.271   5.731
  257   HG12  VAL  32          HG12      VAL  32  11.772   0.828   4.408
  258   HG13  VAL  32          HG13      VAL  32  12.239   1.471   6.012
  259   HG21  VAL  32          HG21      VAL  32  10.227   2.638   5.192
  260   HG22  VAL  32          HG22      VAL  32   9.234   1.509   4.306
  261   HG23  VAL  32          HG23      VAL  32   8.711   2.060   5.904
  262    H    THR  33           H        THR  33  11.452  -2.791   5.753
  263    HA   THR  33           HA       THR  33  11.304  -3.305   8.672
  264    HB   THR  33           HB       THR  33  11.022  -5.529   6.715
  265    HG1  THR  33           HG1      THR  33   8.845  -4.107   7.857
  266   HG21  THR  33          HG21      THR  33  10.292  -5.302   9.659
  267   HG22  THR  33          HG22      THR  33   9.864  -6.684   8.631
  268   HG23  THR  33          HG23      THR  33  11.559  -6.316   8.933
  269    H    SER  34           H        SER  34  13.177  -4.779   9.397
  270    HA   SER  34           HA       SER  34  15.225  -5.294   7.345
  271    HB2  SER  34           HB2      SER  34  17.058  -4.702   8.858
  272    HB3  SER  34           HB3      SER  34  16.110  -3.317   8.332
  273    HG   SER  34           HG       SER  34  15.135  -3.193  10.298
  274    H    CYS  35           H        CYS  35  16.754  -7.060   8.057
  275    HA   CYS  35           HA       CYS  35  15.904  -8.661  10.366
  276    HB2  CYS  35           HB2      CYS  35  15.394 -10.671   8.953
  277    HB3  CYS  35           HB3      CYS  35  14.272  -9.347   8.635
  278    HG   CYS  35           HG       CYS  35  14.728 -10.542   6.410
  279    H    GLY  36           H        GLY  36  17.150 -10.790  10.400
  280    HA2  GLY  36           HA2      GLY  36  19.180 -11.861  10.549
  281    HA3  GLY  36           HA3      GLY  36  19.838 -10.760   9.318
  282    H    LEU  37           H        LEU  37  19.697  -8.311  10.310
  283    HA   LEU  37           HA       LEU  37  21.017  -6.881  11.421
  284    HB2  LEU  37           HB2      LEU  37  19.464  -8.288  13.474
  285    HB3  LEU  37           HB3      LEU  37  20.988  -7.677  14.110
  286    HG   LEU  37           HG       LEU  37  20.370  -5.445  12.969
  287   HD11  LEU  37          HD11      LEU  37  17.978  -5.036  12.548
  288   HD12  LEU  37          HD12      LEU  37  18.579  -6.306  11.489
  289   HD13  LEU  37          HD13      LEU  37  17.609  -6.723  12.917
  290   HD21  LEU  37          HD21      LEU  37  20.220  -5.950  15.460
  291   HD22  LEU  37          HD22      LEU  37  19.179  -4.654  14.860
  292   HD23  LEU  37          HD23      LEU  37  18.492  -6.246  15.213
  293    H    GLU  38           H        GLU  38  22.852  -7.471  13.540
  294    HA   GLU  38           HA       GLU  38  25.059  -8.673  12.093
  295    HB2  GLU  38           HB2      GLU  38  24.938  -6.809  13.999
  296    HB3  GLU  38           HB3      GLU  38  25.000  -8.225  15.066
  297    HG2  GLU  38           HG2      GLU  38  27.164  -8.888  13.925
  298    HG3  GLU  38           HG3      GLU  38  27.036  -7.459  12.922
  299    H    SER  39           H        SER  39  22.542 -10.344  13.065
  300    HA   SER  39           HA       SER  39  21.983 -12.312  13.985
  301    HB2  SER  39           HB2      SER  39  24.923 -13.039  13.778
  302    HB3  SER  39           HB3      SER  39  23.573 -14.167  13.988
  303    HG   SER  39           HG       SER  39  24.233 -14.006  11.778
  304    H    SER  40           H        SER  40  22.750 -10.035  15.532
  305    HA   SER  40           HA       SER  40  22.717 -11.106  18.238
  306    HB2  SER  40           HB2      SER  40  24.723  -8.981  17.317
  307    HB3  SER  40           HB3      SER  40  24.429  -9.462  18.997
  308    HG   SER  40           HG       SER  40  26.280 -10.498  18.080
  309    H    ARG  41           H        ARG  41  22.113  -9.095  19.686
  310    HA   ARG  41           HA       ARG  41  19.778  -7.877  18.444
  311    HB2  ARG  41           HB2      ARG  41  21.020  -7.988  21.207
  312    HB3  ARG  41           HB3      ARG  41  19.887  -6.700  20.886
  313    HG2  ARG  41           HG2      ARG  41  18.677  -8.516  21.847
  314    HG3  ARG  41           HG3      ARG  41  18.158  -8.303  20.173
  315    HD2  ARG  41           HD2      ARG  41  19.524 -10.244  19.489
  316    HD3  ARG  41           HD3      ARG  41  20.107 -10.428  21.161
  317    HE   ARG  41           HE       ARG  41  17.254 -10.431  21.134
  318   HH11  ARG  41          HH11      ARG  41  19.961 -12.545  20.205
  319   HH12  ARG  41          HH12      ARG  41  19.069 -14.009  20.399
  320   HH21  ARG  41          HH21      ARG  41  16.066 -12.377  21.395
  321   HH22  ARG  41          HH22      ARG  41  16.805 -13.910  21.104
  322    H    VAL  42           H        VAL  42  19.401  -5.485  19.168
  323    HA   VAL  42           HA       VAL  42  20.604  -3.718  17.446
  324    HB   VAL  42           HB       VAL  42  19.046  -3.516  19.986
  325   HG11  VAL  42          HG11      VAL  42  19.913  -1.063  18.429
  326   HG12  VAL  42          HG12      VAL  42  18.675  -1.091  19.703
  327   HG13  VAL  42          HG13      VAL  42  20.357  -1.440  20.115
  328   HG21  VAL  42          HG21      VAL  42  18.393  -2.639  17.145
  329   HG22  VAL  42          HG22      VAL  42  17.929  -4.204  17.851
  330   HG23  VAL  42          HG23      VAL  42  17.269  -2.705  18.510
  331    H    HIS  43           H        HIS  43  21.919  -1.973  17.640
  332    HA   HIS  43           HA       HIS  43  24.174  -2.253  19.543
  333    HB2  HIS  43           HB2      HIS  43  24.608  -3.292  17.374
  334    HB3  HIS  43           HB3      HIS  43  24.131  -1.827  16.533
  335    HD1  HIS  43           HD1      HIS  43  26.957  -2.964  18.984
  336    HD2  HIS  43           HD2      HIS  43  26.024  -0.126  16.020
  337    HE1  HIS  43           HE1      HIS  43  29.096  -1.655  18.541
  338    HA   PRO  44           HA       PRO  44  22.551   1.830  20.280
  339    HB2  PRO  44           HB2      PRO  44  24.211   2.718  22.244
  340    HB3  PRO  44           HB3      PRO  44  23.084   1.346  22.505
  341    HG2  PRO  44           HG2      PRO  44  25.995   1.206  21.612
  342    HG3  PRO  44           HG3      PRO  44  25.270   0.405  23.063
  343    HD2  PRO  44           HD2      PRO  44  25.475  -0.980  20.777
  344    HD3  PRO  44           HD3      PRO  44  23.907  -1.044  21.662
  345    H    THR  45           H        THR  45  26.053   1.435  19.398
  346    HA   THR  45           HA       THR  45  26.522   4.150  19.044
  347    HB   THR  45           HB       THR  45  27.708   1.897  17.385
  348    HG1  THR  45           HG1      THR  45  29.066   1.549  19.061
  349   HG21  THR  45          HG21      THR  45  28.779   4.668  18.085
  350   HG22  THR  45          HG22      THR  45  29.743   3.369  17.336
  351   HG23  THR  45          HG23      THR  45  28.379   4.052  16.468
  352    H    ALA  46           H        ALA  46  24.790   1.798  16.976
  353    HA   ALA  46           HA       ALA  46  24.738   3.485  14.630
  354    HB1  ALA  46           HB1      ALA  46  22.647   1.382  15.375
  355    HB2  ALA  46           HB2      ALA  46  23.084   1.973  13.752
  356    HB3  ALA  46           HB3      ALA  46  24.213   0.953  14.667
  357    H    ILE  47           H        ILE  47  22.587   3.010  17.450
  358    HA   ILE  47           HA       ILE  47  20.509   4.743  16.563
  359    HB   ILE  47           HB       ILE  47  21.403   3.783  19.247
  360   HG12  ILE  47          HG12      ILE  47  19.177   2.773  19.309
  361   HG13  ILE  47          HG13      ILE  47  18.837   3.353  17.665
  362   HG21  ILE  47          HG21      ILE  47  20.517   6.023  19.742
  363   HG22  ILE  47          HG22      ILE  47  19.068   5.683  18.763
  364   HG23  ILE  47          HG23      ILE  47  19.370   4.809  20.281
  365   HD11  ILE  47          HD11      ILE  47  20.648   1.819  16.854
  366   HD12  ILE  47          HD12      ILE  47  20.882   1.270  18.536
  367   HD13  ILE  47          HD13      ILE  47  19.330   1.006  17.720
  368    H    ALA  48           H        ALA  48  23.423   5.439  18.625
  369    HA   ALA  48           HA       ALA  48  22.829   8.177  18.909
  370    HB1  ALA  48           HB1      ALA  48  24.549   7.050  20.255
  371    HB2  ALA  48           HB2      ALA  48  25.582   6.884  18.806
  372    HB3  ALA  48           HB3      ALA  48  25.178   8.501  19.442
  373    H    MET  49           H        MET  49  24.732   6.520  16.376
  374    HA   MET  49           HA       MET  49  25.457   8.831  14.886
  375    HB2  MET  49           HB2      MET  49  24.978   5.938  14.078
  376    HB3  MET  49           HB3      MET  49  25.568   7.148  12.948
  377    HG2  MET  49           HG2      MET  49  26.997   6.675  15.590
  378    HG3  MET  49           HG3      MET  49  27.244   5.649  14.198
  379    HE1  MET  49           HE1      MET  49  27.397   9.447  15.442
  380    HE2  MET  49           HE2      MET  49  28.599   8.332  16.111
  381    HE3  MET  49           HE3      MET  49  29.109   9.654  15.031
  382    H    MET  50           H        MET  50  22.362   7.134  15.117
  383    HA   MET  50           HA       MET  50  21.402   8.488  12.681
  384    HB2  MET  50           HB2      MET  50  19.978   6.589  14.577
  385    HB3  MET  50           HB3      MET  50  19.396   7.153  13.013
  386    HG2  MET  50           HG2      MET  50  21.093   4.936  13.615
  387    HG3  MET  50           HG3      MET  50  20.278   5.325  12.142
  388    HE1  MET  50           HE1      MET  50  23.773   4.254  10.962
  389    HE2  MET  50           HE2      MET  50  23.972   4.201  12.722
  390    HE3  MET  50           HE3      MET  50  22.438   3.635  11.995
  391    H    GLU  51           H        GLU  51  21.171   8.689  16.189
  392    HA   GLU  51           HA       GLU  51  19.206  10.704  16.381
  393    HB2  GLU  51           HB2      GLU  51  20.081   9.220  18.217
  394    HB3  GLU  51           HB3      GLU  51  21.599  10.120  18.204
  395    HG2  GLU  51           HG2      GLU  51  20.406  12.195  18.825
  396    HG3  GLU  51           HG3      GLU  51  18.858  11.343  18.749
  397    H    GLU  52           H        GLU  52  22.680  10.827  15.659
  398    HA   GLU  52           HA       GLU  52  23.093  13.613  15.698
  399    HB2  GLU  52           HB2      GLU  52  24.192  11.576  13.728
  400    HB3  GLU  52           HB3      GLU  52  24.746  13.236  13.865
  401    HG2  GLU  52           HG2      GLU  52  25.331  12.655  16.321
  402    HG3  GLU  52           HG3      GLU  52  25.230  10.968  15.791
  403    H    VAL  53           H        VAL  53  21.029  11.785  13.572
  404    HA   VAL  53           HA       VAL  53  20.634  14.153  11.821
  405    HB   VAL  53           HB       VAL  53  22.074  12.541  10.754
  406   HG11  VAL  53          HG11      VAL  53  19.832  10.511  10.995
  407   HG12  VAL  53          HG12      VAL  53  21.253  10.340   9.943
  408   HG13  VAL  53          HG13      VAL  53  21.477  10.437  11.688
  409   HG21  VAL  53          HG21      VAL  53  21.059  12.396   8.611
  410   HG22  VAL  53          HG22      VAL  53  19.426  12.514   9.283
  411   HG23  VAL  53          HG23      VAL  53  20.529  13.908   9.367
  412    H    GLY  54           H        GLY  54  19.271  12.819  14.291
  413    HA2  GLY  54           HA2      GLY  54  17.142  12.982  15.100
  414    HA3  GLY  54           HA3      GLY  54  16.680  13.789  13.591
  415    H    ILE  55           H        ILE  55  18.010  10.474  13.837
  416    HA   ILE  55           HA       ILE  55  15.396   9.319  13.114
  417    HB   ILE  55           HB       ILE  55  18.077   8.524  11.967
  418   HG12  ILE  55          HG12      ILE  55  15.622   9.935  10.843
  419   HG13  ILE  55          HG13      ILE  55  17.272  10.569  10.991
  420   HG21  ILE  55          HG21      ILE  55  15.291   7.309  11.568
  421   HG22  ILE  55          HG22      ILE  55  16.715   6.894  10.614
  422   HG23  ILE  55          HG23      ILE  55  16.709   6.498  12.298
  423   HD11  ILE  55          HD11      ILE  55  17.993   8.700   9.440
  424   HD12  ILE  55          HD12      ILE  55  16.254   8.448   9.141
  425   HD13  ILE  55          HD13      ILE  55  17.010  10.011   8.736
  426    H    ASP  56           H        ASP  56  15.225   7.024  13.931
  427    HA   ASP  56           HA       ASP  56  17.194   6.193  15.965
  428    HB2  ASP  56           HB2      ASP  56  15.571   7.307  17.381
  429    HB3  ASP  56           HB3      ASP  56  14.228   6.542  16.523
  430    H    ILE  57           H        ILE  57  17.161   3.924  16.206
  431    HA   ILE  57           HA       ILE  57  15.508   2.311  14.447
  432    HB   ILE  57           HB       ILE  57  17.481   1.163  13.521
  433   HG12  ILE  57          HG12      ILE  57  19.079   3.566  14.528
  434   HG13  ILE  57          HG13      ILE  57  19.253   1.883  15.049
  435   HG21  ILE  57          HG21      ILE  57  16.110   3.005  12.343
  436   HG22  ILE  57          HG22      ILE  57  17.494   4.072  12.637
  437   HG23  ILE  57          HG23      ILE  57  17.671   2.597  11.644
  438   HD11  ILE  57          HD11      ILE  57  20.007   1.272  12.763
  439   HD12  ILE  57          HD12      ILE  57  19.841   2.980  12.263
  440   HD13  ILE  57          HD13      ILE  57  20.999   2.546  13.521
  441    H    SER  58           H        SER  58  16.243   2.869  17.453
  442    HA   SER  58           HA       SER  58  16.777   0.157  18.340
  443    HB2  SER  58           HB2      SER  58  17.262   2.291  19.653
  444    HB3  SER  58           HB3      SER  58  15.511   2.443  19.902
  445    HG   SER  58           HG       SER  58  16.584   1.305  21.627
  446    H    GLY  59           H        GLY  59  14.948  -0.979  19.562
  447    HA2  GLY  59           HA2      GLY  59  12.813  -1.850  19.624
  448    HA3  GLY  59           HA3      GLY  59  12.200  -0.417  18.781
  449    H    GLN  60           H        GLN  60  14.333  -0.888  16.549
  450    HA   GLN  60           HA       GLN  60  12.851  -2.855  14.970
  451    HB2  GLN  60           HB2      GLN  60  15.446  -1.375  14.339
  452    HB3  GLN  60           HB3      GLN  60  14.477  -2.389  13.241
  453    HG2  GLN  60           HG2      GLN  60  12.631  -0.755  13.465
  454    HG3  GLN  60           HG3      GLN  60  13.600   0.158  14.667
  455   HE21  GLN  60          HE22      GLN  60  14.916  -0.967  11.460
  456   HE22  GLN  60          HE21      GLN  60  15.464   0.650  11.100
  457    H    THR  61           H        THR  61  13.754  -4.984  14.695
  458    HA   THR  61           HA       THR  61  16.201  -5.495  16.212
  459    HB   THR  61           HB       THR  61  14.779  -7.397  17.475
  460    HG1  THR  61           HG1      THR  61  12.757  -7.020  16.598
  461   HG21  THR  61          HG21      THR  61  14.502  -5.938  19.366
  462   HG22  THR  61          HG22      THR  61  16.020  -5.536  18.545
  463   HG23  THR  61          HG23      THR  61  14.595  -4.489  18.347
  464    H    SER  62           H        SER  62  16.884  -7.778  16.358
  465    HA   SER  62           HA       SER  62  17.229  -8.866  13.804
  466    HB2  SER  62           HB2      SER  62  17.773 -10.321  16.412
  467    HB3  SER  62           HB3      SER  62  18.756 -10.263  14.932
  468    HG   SER  62           HG       SER  62  19.771  -8.830  16.255
  469    H    ASP  63           H        ASP  63  16.421 -10.697  12.822
  470    HA   ASP  63           HA       ASP  63  14.833 -12.709  14.109
  471    HB2  ASP  63           HB2      ASP  63  13.199 -10.752  13.797
  472    HB3  ASP  63           HB3      ASP  63  13.442 -10.900  12.072
  473    HA   PRO  64           HA       PRO  64  17.384 -14.166  10.794
  474    HB2  PRO  64           HB2      PRO  64  16.830 -16.851  10.658
  475    HB3  PRO  64           HB3      PRO  64  17.638 -16.080  12.054
  476    HG2  PRO  64           HG2      PRO  64  14.691 -16.739  11.750
  477    HG3  PRO  64           HG3      PRO  64  15.773 -17.122  13.128
  478    HD2  PRO  64           HD2      PRO  64  14.149 -14.950  13.142
  479    HD3  PRO  64           HD3      PRO  64  15.783 -14.882  13.867
  480    H    ILE  65           H        ILE  65  17.525 -14.727   8.577
  481    HA   ILE  65           HA       ILE  65  15.436 -13.635   7.030
  482    HB   ILE  65           HB       ILE  65  17.828 -13.519   6.472
  483   HG12  ILE  65          HG12      ILE  65  16.123 -14.786   4.267
  484   HG13  ILE  65          HG13      ILE  65  16.198 -13.085   4.733
  485   HG21  ILE  65          HG21      ILE  65  18.446 -15.903   7.125
  486   HG22  ILE  65          HG22      ILE  65  17.709 -16.442   5.606
  487   HG23  ILE  65          HG23      ILE  65  19.112 -15.361   5.590
  488   HD11  ILE  65          HD11      ILE  65  18.379 -14.737   3.396
  489   HD12  ILE  65          HD12      ILE  65  17.512 -13.320   2.774
  490   HD13  ILE  65          HD13      ILE  65  18.677 -13.134   4.100
  491    H    GLU  66           H        GLU  66  16.264 -16.963   7.790
  492    HA   GLU  66           HA       GLU  66  14.764 -18.102   5.689
  493    HB2  GLU  66           HB2      GLU  66  15.351 -20.218   6.769
  494    HB3  GLU  66           HB3      GLU  66  16.726 -19.092   6.813
  495    HG2  GLU  66           HG2      GLU  66  16.301 -18.550   9.137
  496    HG3  GLU  66           HG3      GLU  66  14.856 -19.567   9.169
  497    H    ASN  67           H        ASN  67  13.638 -16.712   8.591
  498    HA   ASN  67           HA       ASN  67  11.146 -18.209   8.499
  499    HB2  ASN  67           HB2      ASN  67  10.896 -17.778  10.638
  500    HB3  ASN  67           HB3      ASN  67  12.549 -17.206  10.651
  501   HD21  ASN  67          HD22      ASN  67  12.818 -14.732  10.134
  502   HD22  ASN  67          HD21      ASN  67  11.615 -13.734  10.936
  503    H    PHE  68           H        PHE  68  12.483 -15.552   6.864
  504    HA   PHE  68           HA       PHE  68   9.997 -14.002   6.803
  505    HB2  PHE  68           HB2      PHE  68  12.776 -13.504   5.728
  506    HB3  PHE  68           HB3      PHE  68  11.418 -12.596   5.119
  507    HD1  PHE  68           HD1      PHE  68  13.484 -13.246   8.085
  508    HD2  PHE  68           HD2      PHE  68  10.151 -11.027   6.516
  509    HE1  PHE  68           HE1      PHE  68  13.544 -11.767  10.060
  510    HE2  PHE  68           HE2      PHE  68  10.200  -9.543   8.508
  511    HZ   PHE  68           HZ       PHE  68  11.909  -9.900  10.284
  512    H    ASN  69           H        ASN  69   9.412 -13.212   4.546
  513    HA   ASN  69           HA       ASN  69   9.460 -15.232   2.437
  514    HB2  ASN  69           HB2      ASN  69   6.889 -15.092   2.323
  515    HB3  ASN  69           HB3      ASN  69   7.645 -16.205   3.445
  516   HD21  ASN  69          HD21      ASN  69   6.576 -12.731   3.536
  517   HD22  ASN  69          HD22      ASN  69   5.754 -12.882   5.090
  518    H    ALA  70           H        ALA  70  10.678 -13.593   1.372
  519    HA   ALA  70           HA       ALA  70  10.046 -10.930   1.119
  520    HB1  ALA  70           HB1      ALA  70  11.220 -11.097  -1.077
  521    HB2  ALA  70           HB2      ALA  70  12.084 -11.834   0.283
  522    HB3  ALA  70           HB3      ALA  70  11.236 -12.866  -0.898
  523    H    ASP  71           H        ASP  71   8.491 -13.686  -0.435
  524    HA   ASP  71           HA       ASP  71   7.218 -12.518  -2.652
  525    HB2  ASP  71           HB2      ASP  71   7.099 -14.921  -2.199
  526    HB3  ASP  71           HB3      ASP  71   6.167 -14.621  -0.729
  527    H    ASP  72           H        ASP  72   6.434 -12.198   0.785
  528    HA   ASP  72           HA       ASP  72   3.768 -11.089   0.379
  529    HB2  ASP  72           HB2      ASP  72   4.441 -12.204   2.467
  530    HB3  ASP  72           HB3      ASP  72   5.648 -10.940   2.757
  531    H    TYR  73           H        TYR  73   6.972  -9.775   0.147
  532    HA   TYR  73           HA       TYR  73   6.163  -7.015   0.605
  533    HB2  TYR  73           HB2      TYR  73   8.957  -8.193   0.217
  534    HB3  TYR  73           HB3      TYR  73   8.594  -6.535   0.656
  535    HD1  TYR  73           HD2      TYR  73   8.083 -10.048   1.922
  536    HD2  TYR  73           HD1      TYR  73   8.802  -5.924   2.937
  537    HE1  TYR  73           HE2      TYR  73   8.069 -10.661   4.287
  538    HE2  TYR  73           HE1      TYR  73   8.760  -6.514   5.334
  539    HH   TYR  73           HH       TYR  73   8.088  -9.833   6.527
  540    H    ASP  74           H        ASP  74   7.449  -5.454  -1.099
  541    HA   ASP  74           HA       ASP  74   7.311  -6.771  -3.803
  542    HB2  ASP  74           HB2      ASP  74   6.889  -3.862  -2.993
  543    HB3  ASP  74           HB3      ASP  74   6.933  -4.456  -4.649
  544    H    VAL  75           H        VAL  75   9.537  -5.199  -1.543
  545    HA   VAL  75           HA       VAL  75  11.542  -5.005  -3.733
  546    HB   VAL  75           HB       VAL  75  10.387  -2.924  -1.996
  547   HG11  VAL  75          HG11      VAL  75  12.524  -1.724  -3.498
  548   HG12  VAL  75          HG12      VAL  75  12.023  -1.540  -1.861
  549   HG13  VAL  75          HG13      VAL  75  13.119  -2.877  -2.285
  550   HG21  VAL  75          HG21      VAL  75  10.510  -3.213  -4.948
  551   HG22  VAL  75          HG22      VAL  75   9.141  -2.891  -3.882
  552   HG23  VAL  75          HG23      VAL  75  10.316  -1.629  -4.201
  553    H    VAL  76           H        VAL  76  13.547  -5.855  -3.018
  554    HA   VAL  76           HA       VAL  76  13.970  -5.891  -0.087
  555    HB   VAL  76           HB       VAL  76  14.923  -8.086  -0.243
  556   HG11  VAL  76          HG11      VAL  76  12.508  -7.805   0.369
  557   HG12  VAL  76          HG12      VAL  76  12.070  -8.123  -1.312
  558   HG13  VAL  76          HG13      VAL  76  12.860  -9.379  -0.343
  559   HG21  VAL  76          HG21      VAL  76  14.385  -9.561  -2.233
  560   HG22  VAL  76          HG22      VAL  76  14.089  -8.070  -3.153
  561   HG23  VAL  76          HG23      VAL  76  15.676  -8.383  -2.440
  562    H    ILE  77           H        ILE  77  15.800  -5.142   0.491
  563    HA   ILE  77           HA       ILE  77  17.959  -4.772  -1.523
  564    HB   ILE  77           HB       ILE  77  17.113  -3.079   0.853
  565   HG12  ILE  77          HG12      ILE  77  15.706  -2.491  -0.988
  566   HG13  ILE  77          HG13      ILE  77  16.937  -1.252  -0.799
  567   HG21  ILE  77          HG21      ILE  77  19.531  -2.727  -0.972
  568   HG22  ILE  77          HG22      ILE  77  19.001  -1.666   0.362
  569   HG23  ILE  77          HG23      ILE  77  19.575  -3.278   0.709
  570   HD11  ILE  77          HD11      ILE  77  18.199  -2.307  -2.746
  571   HD12  ILE  77          HD12      ILE  77  16.826  -3.404  -2.956
  572   HD13  ILE  77          HD13      ILE  77  16.605  -1.678  -3.191
  573    H    SER  78           H        SER  78  19.103  -6.536  -1.116
  574    HA   SER  78           HA       SER  78  19.461  -7.437   1.647
  575    HB2  SER  78           HB2      SER  78  19.265  -9.145   0.037
  576    HB3  SER  78           HB3      SER  78  20.464  -8.397  -1.046
  577    HG   SER  78           HG       SER  78  22.035  -9.143   0.080
  578    H    LEU  79           H        LEU  79  21.728  -7.363   2.553
  579    HA   LEU  79           HA       LEU  79  23.600  -5.540   1.208
  580    HB2  LEU  79           HB2      LEU  79  22.898  -5.098   4.145
  581    HB3  LEU  79           HB3      LEU  79  24.197  -4.352   3.208
  582    HG   LEU  79           HG       LEU  79  22.240  -3.475   1.682
  583   HD11  LEU  79          HD11      LEU  79  20.784  -3.809   4.349
  584   HD12  LEU  79          HD12      LEU  79  20.226  -2.831   2.973
  585   HD13  LEU  79          HD13      LEU  79  20.350  -4.581   2.831
  586   HD21  LEU  79          HD21      LEU  79  22.130  -1.411   3.098
  587   HD22  LEU  79          HD22      LEU  79  22.984  -2.304   4.386
  588   HD23  LEU  79          HD23      LEU  79  23.772  -2.006   2.832
  589    H    CYS  80           H        CYS  80  23.409  -8.301   1.298
  590    HA   CYS  80           HA       CYS  80  25.035  -9.396   3.472
  591    HB2  CYS  80           HB2      CYS  80  23.890 -10.664   0.910
  592    HB3  CYS  80           HB3      CYS  80  24.795 -11.505   2.167
  593    HG   CYS  80           HG       CYS  80  21.825 -10.154   2.170
  594    H    GLY  81           H        GLY  81  25.745  -7.617   0.650
  595    HA2  GLY  81           HA2      GLY  81  27.957  -7.083  -0.041
  596    HA3  GLY  81           HA3      GLY  81  28.566  -8.600   0.639
  597    H    CYS  82           H        CYS  82  25.569  -8.333  -1.224
  598    HA   CYS  82           HA       CYS  82  24.748  -9.560  -2.884
  599    HB2  CYS  82           HB2      CYS  82  26.363  -7.821  -3.965
  600    HB3  CYS  82           HB3      CYS  82  27.372  -9.224  -4.353
  601    HG   CYS  82           HG       CYS  82  24.202  -8.542  -5.178
  602    H    GLY  83           H        GLY  83  25.568 -11.419  -4.616
  603    HA2  GLY  83           HA2      GLY  83  26.348 -13.536  -4.998
  604    HA3  GLY  83           HA3      GLY  83  27.411 -13.357  -3.597
  605    H    VAL  84           H        VAL  84  25.299 -12.965  -1.614
  606    HA   VAL  84           HA       VAL  84  24.821 -15.606  -0.875
  607    HB   VAL  84           HB       VAL  84  23.437 -13.081   0.083
  608   HG11  VAL  84          HG11      VAL  84  22.875 -14.334   2.117
  609   HG12  VAL  84          HG12      VAL  84  22.125 -15.125   0.733
  610   HG13  VAL  84          HG13      VAL  84  23.594 -15.816   1.445
  611   HG21  VAL  84          HG21      VAL  84  25.796 -12.907   0.503
  612   HG22  VAL  84          HG22      VAL  84  25.128 -13.557   2.018
  613   HG23  VAL  84          HG23      VAL  84  25.939 -14.638   0.894
  614    H    ASN  85           H        ASN  85  23.414 -17.077  -1.387
  615    HA   ASN  85           HA       ASN  85  21.726 -16.584  -3.682
  616    HB2  ASN  85           HB2      ASN  85  23.287 -18.569  -3.356
  617    HB3  ASN  85           HB3      ASN  85  22.117 -19.220  -2.204
  618   HD21  ASN  85          HD22      ASN  85  22.488 -17.972  -5.552
  619   HD22  ASN  85          HD21      ASN  85  21.220 -18.944  -6.266
  620    H    LEU  86           H        LEU  86  20.264 -15.108  -2.510
  621    HA   LEU  86           HA       LEU  86  18.485 -15.951  -0.473
  622    HB2  LEU  86           HB2      LEU  86  17.701 -14.050  -2.691
  623    HB3  LEU  86           HB3      LEU  86  17.115 -14.106  -1.030
  624    HG   LEU  86           HG       LEU  86  19.827 -13.146  -1.999
  625   HD11  LEU  86          HD11      LEU  86  17.565 -11.642  -0.626
  626   HD12  LEU  86          HD12      LEU  86  19.093 -10.972  -1.245
  627   HD13  LEU  86          HD13      LEU  86  17.898 -11.630  -2.375
  628   HD21  LEU  86          HD21      LEU  86  20.362 -12.488   0.295
  629   HD22  LEU  86          HD22      LEU  86  18.819 -13.170   0.877
  630   HD23  LEU  86          HD23      LEU  86  20.086 -14.235   0.237
  631    HA   PRO  87           HA       PRO  87  15.821 -18.863  -2.679
  632    HB2  PRO  87           HB2      PRO  87  13.587 -17.545  -1.154
  633    HB3  PRO  87           HB3      PRO  87  13.929 -19.283  -1.353
  634    HG2  PRO  87           HG2      PRO  87  14.572 -17.976   0.963
  635    HG3  PRO  87           HG3      PRO  87  15.653 -19.229   0.274
  636    HD2  PRO  87           HD2      PRO  87  15.961 -16.236   0.182
  637    HD3  PRO  87           HD3      PRO  87  17.196 -17.513   0.328
  638    HA   PRO  88           HA       PRO  88  14.477 -16.606  -6.003
  639    HB2  PRO  88           HB2      PRO  88  12.311 -17.945  -7.159
  640    HB3  PRO  88           HB3      PRO  88  14.021 -18.464  -7.233
  641    HG2  PRO  88           HG2      PRO  88  11.883 -19.352  -5.274
  642    HG3  PRO  88           HG3      PRO  88  13.045 -20.369  -6.188
  643    HD2  PRO  88           HD2      PRO  88  13.510 -19.693  -3.615
  644    HD3  PRO  88           HD3      PRO  88  14.853 -19.705  -4.801
  645    H    GLU  89           H        GLU  89  11.931 -16.839  -3.573
  646    HA   GLU  89           HA       GLU  89  10.121 -15.027  -4.820
  647    HB2  GLU  89           HB2      GLU  89   9.267 -14.734  -2.513
  648    HB3  GLU  89           HB3      GLU  89   9.289 -16.405  -3.098
  649    HG2  GLU  89           HG2      GLU  89  11.321 -16.844  -1.745
  650    HG3  GLU  89           HG3      GLU  89  11.292 -15.177  -1.163
  651    H    TRP  90           H        TRP  90  13.117 -14.620  -3.115
  652    HA   TRP  90           HA       TRP  90  12.853 -11.804  -2.566
  653    HB2  TRP  90           HB2      TRP  90  15.267 -13.633  -2.745
  654    HB3  TRP  90           HB3      TRP  90  15.328 -11.962  -2.246
  655    HD1  TRP  90           HD1      TRP  90  13.853 -15.310  -0.992
  656    HE1  TRP  90           HE1      TRP  90  13.586 -15.203   1.565
  657    HE3  TRP  90           HE3      TRP  90  15.109 -10.457  -0.264
  658    HZ2  TRP  90           HZ2      TRP  90  13.822 -13.230   3.637
  659    HZ3  TRP  90           HZ3      TRP  90  15.037  -9.427   1.974
  660    HH2  TRP  90           HH2      TRP  90  14.370 -10.821   3.963
  661    H    VAL  91           H        VAL  91  13.135 -13.509  -5.531
  662    HA   VAL  91           HA       VAL  91  14.692 -11.391  -6.815
  663    HB   VAL  91           HB       VAL  91  13.963 -14.084  -7.775
  664   HG11  VAL  91          HG11      VAL  91  15.756 -13.776  -9.454
  665   HG12  VAL  91          HG12      VAL  91  14.425 -12.645  -9.661
  666   HG13  VAL  91          HG13      VAL  91  15.941 -12.090  -8.915
  667   HG21  VAL  91          HG21      VAL  91  16.582 -13.140  -6.540
  668   HG22  VAL  91          HG22      VAL  91  15.475 -14.348  -5.857
  669   HG23  VAL  91          HG23      VAL  91  16.347 -14.706  -7.345
  670    H    THR  92           H        THR  92  11.469 -12.887  -6.723
  671    HA   THR  92           HA       THR  92  10.590 -11.861  -9.240
  672    HB   THR  92           HB       THR  92   8.354 -12.685  -8.321
  673    HG1  THR  92           HG1      THR  92   8.336 -13.590  -6.328
  674   HG21  THR  92          HG21      THR  92   9.078 -15.052  -8.405
  675   HG22  THR  92          HG22      THR  92   9.919 -14.090  -9.641
  676   HG23  THR  92          HG23      THR  92  10.770 -14.552  -8.157
  677    H    GLN  93           H        GLN  93  10.910 -10.407  -6.213
  678    HA   GLN  93           HA       GLN  93   9.182  -8.370  -5.840
  679    HB2  GLN  93           HB2      GLN  93  12.224  -8.463  -5.818
  680    HB3  GLN  93           HB3      GLN  93  11.228  -7.344  -4.863
  681    HG2  GLN  93           HG2      GLN  93  11.462 -10.346  -4.500
  682    HG3  GLN  93           HG3      GLN  93  12.135  -9.094  -3.482
  683   HE21  GLN  93          HE22      GLN  93   9.568 -11.180  -3.828
  684   HE22  GLN  93          HE21      GLN  93   8.516 -10.383  -2.654
  685    H    GLU  94           H        GLU  94   9.288  -6.110  -6.403
  686    HA   GLU  94           HA       GLU  94   9.716  -5.417  -9.142
  687    HB2  GLU  94           HB2      GLU  94   7.937  -4.279  -8.142
  688    HB3  GLU  94           HB3      GLU  94   8.740  -4.179  -6.588
  689    HG2  GLU  94           HG2      GLU  94   8.520  -2.002  -7.457
  690    HG3  GLU  94           HG3      GLU  94  10.210  -2.460  -7.310
  691    H    ILE  95           H        ILE  95  11.408  -5.036  -6.009
  692    HA   ILE  95           HA       ILE  95  13.891  -4.319  -7.513
  693    HB   ILE  95           HB       ILE  95  12.684  -3.110  -5.023
  694   HG12  ILE  95          HG12      ILE  95  14.595  -1.632  -6.778
  695   HG13  ILE  95          HG13      ILE  95  13.065  -2.131  -7.563
  696   HG21  ILE  95          HG21      ILE  95  15.686  -3.297  -5.484
  697   HG22  ILE  95          HG22      ILE  95  14.883  -2.151  -4.405
  698   HG23  ILE  95          HG23      ILE  95  14.753  -3.876  -4.075
  699   HD11  ILE  95          HD11      ILE  95  11.802  -0.896  -5.804
  700   HD12  ILE  95          HD12      ILE  95  13.346  -0.319  -5.131
  701   HD13  ILE  95          HD13      ILE  95  12.854   0.147  -6.760
  702    H    PHE  96           H        PHE  96  15.475  -5.662  -7.204
  703    HA   PHE  96           HA       PHE  96  15.819  -6.965  -4.613
  704    HB2  PHE  96           HB2      PHE  96  15.006  -8.882  -5.811
  705    HB3  PHE  96           HB3      PHE  96  15.978  -8.484  -7.224
  706    HD1  PHE  96           HD2      PHE  96  17.413  -8.160  -3.749
  707    HD2  PHE  96           HD1      PHE  96  17.178 -10.604  -7.307
  708    HE1  PHE  96           HE2      PHE  96  19.504  -9.262  -3.110
  709    HE2  PHE  96           HE1      PHE  96  19.216 -11.815  -6.570
  710    HZ   PHE  96           HZ       PHE  96  20.390 -11.143  -4.488
  711    H    GLU  97           H        GLU  97  17.582  -5.895  -4.054
  712    HA   GLU  97           HA       GLU  97  19.819  -5.642  -5.957
  713    HB2  GLU  97           HB2      GLU  97  18.203  -3.418  -5.064
  714    HB3  GLU  97           HB3      GLU  97  19.734  -3.324  -4.197
  715    HG2  GLU  97           HG2      GLU  97  19.509  -3.645  -7.214
  716    HG3  GLU  97           HG3      GLU  97  19.575  -2.090  -6.396
  717    H    ASP  98           H        ASP  98  21.814  -5.175  -4.656
  718    HA   ASP  98           HA       ASP  98  21.569  -5.934  -1.847
  719    HB2  ASP  98           HB2      ASP  98  22.323  -8.011  -2.957
  720    HB3  ASP  98           HB3      ASP  98  23.775  -7.150  -3.487
  721    H    TRP  99           H        TRP  99  22.068  -4.055  -0.973
  722    HA   TRP  99           HA       TRP  99  24.013  -2.224  -2.225
  723    HB2  TRP  99           HB2      TRP  99  22.290  -1.922   0.248
  724    HB3  TRP  99           HB3      TRP  99  23.435  -0.730  -0.317
  725    HD1  TRP  99           HD1      TRP  99  22.208  -1.724  -3.486
  726    HE1  TRP  99           HE1      TRP  99  20.110  -0.537  -4.259
  727    HE3  TRP  99           HE3      TRP  99  20.840   0.455   0.949
  728    HZ2  TRP  99           HZ2      TRP  99  17.857   0.825  -3.031
  729    HZ3  TRP  99           HZ3      TRP  99  18.635   1.647   1.102
  730    HH2  TRP  99           HH2      TRP  99  17.152   1.749  -0.839
  731    H    GLN 100           H        GLN 100  25.376  -4.011  -2.163
  732    HA   GLN 100           HA       GLN 100  26.923  -5.064  -0.139
  733    HB2  GLN 100           HB2      GLN 100  28.561  -5.333  -1.954
  734    HB3  GLN 100           HB3      GLN 100  26.918  -5.902  -2.288
  735    HG2  GLN 100           HG2      GLN 100  26.732  -3.477  -3.491
  736    HG3  GLN 100           HG3      GLN 100  28.474  -3.651  -3.561
  737   HE21  GLN 100          HE22      GLN 100  25.344  -5.039  -4.558
  738   HE22  GLN 100          HE21      GLN 100  25.983  -5.973  -5.907
  739    H    LEU 101           H        LEU 101  26.575  -2.422   0.786
  740    HA   LEU 101           HA       LEU 101  28.493  -0.620  -0.289
  741    HB2  LEU 101           HB2      LEU 101  26.102  -0.541   1.405
  742    HB3  LEU 101           HB3      LEU 101  27.330   0.330   2.256
  743    HG   LEU 101           HG       LEU 101  25.873   1.772   0.902
  744   HD11  LEU 101          HD11      LEU 101  27.579   3.085  -0.290
  745   HD12  LEU 101          HD12      LEU 101  28.148   2.586   1.303
  746   HD13  LEU 101          HD13      LEU 101  28.732   1.754  -0.175
  747   HD21  LEU 101          HD21      LEU 101  25.446   0.128  -0.952
  748   HD22  LEU 101          HD22      LEU 101  25.848   1.756  -1.509
  749   HD23  LEU 101          HD23      LEU 101  27.063   0.474  -1.593
  750    H    GLU 102           H        GLU 102  29.527   0.843   1.763
  751    HA   GLU 102           HA       GLU 102  31.865  -0.393   2.626
  752    HB2  GLU 102           HB2      GLU 102  30.213   1.926   3.676
  753    HB3  GLU 102           HB3      GLU 102  31.774   1.502   4.394
  754    HG2  GLU 102           HG2      GLU 102  32.927   1.905   2.331
  755    HG3  GLU 102           HG3      GLU 102  31.409   2.185   1.459
  756    H    ASP 103           H        ASP 103  32.521  -0.774   4.809
  757    HA   ASP 103           HA       ASP 103  30.576  -2.382   6.420
  758    HB2  ASP 103           HB2      ASP 103  32.131  -3.801   5.258
  759    HB3  ASP 103           HB3      ASP 103  33.505  -2.884   5.900
  760    HA   PRO 104           HA       PRO 104  32.121   0.762   9.347
  761    HB2  PRO 104           HB2      PRO 104  29.889   1.037  10.874
  762    HB3  PRO 104           HB3      PRO 104  30.008   1.760   9.242
  763    HG2  PRO 104           HG2      PRO 104  28.733  -0.892  10.012
  764    HG3  PRO 104           HG3      PRO 104  28.027   0.420   9.007
  765    HD2  PRO 104           HD2      PRO 104  29.272  -1.812   8.006
  766    HD3  PRO 104           HD3      PRO 104  29.325  -0.230   7.159
  767    H    ASP 105           H        ASP 105  31.415  -2.561   9.623
  768    HA   ASP 105           HA       ASP 105  31.352  -4.049  11.410
  769    HB2  ASP 105           HB2      ASP 105  33.403  -4.202  10.115
  770    HB3  ASP 105           HB3      ASP 105  34.171  -2.983  11.106
  771    H    GLY 106           H        GLY 106  33.981  -2.511  12.931
  772    HA2  GLY 106           HA2      GLY 106  32.390  -1.330  15.152
  773    HA3  GLY 106           HA3      GLY 106  33.758  -2.416  15.512
  774    H    GLN 107           H        GLN 107  33.389  -0.039  12.895
  775    HA   GLN 107           HA       GLN 107  36.083   0.954  13.193
  776    HB2  GLN 107           HB2      GLN 107  33.747   1.716  11.348
  777    HB3  GLN 107           HB3      GLN 107  35.328   2.449  11.252
  778    HG2  GLN 107           HG2      GLN 107  36.081  -0.173  11.299
  779    HG3  GLN 107           HG3      GLN 107  34.545  -0.284  10.424
  780   HE21  GLN 107          HE22      GLN 107  34.675   0.208   8.182
  781   HE22  GLN 107          HE21      GLN 107  35.998   1.110   7.465
  782    H    SER 108           H        SER 108  36.160   3.413  12.624
  783    HA   SER 108           HA       SER 108  35.641   4.894  15.033
  784    HB2  SER 108           HB2      SER 108  36.366   5.933  12.257
  785    HB3  SER 108           HB3      SER 108  36.650   6.748  13.800
  786    HG   SER 108           HG       SER 108  38.184   5.147  14.317
  787    H    LEU 109           H        LEU 109  34.202   6.749  15.192
  788    HA   LEU 109           HA       LEU 109  31.570   6.360  14.245
  789    HB2  LEU 109           HB2      LEU 109  32.908   8.940  15.164
  790    HB3  LEU 109           HB3      LEU 109  31.188   8.739  14.895
  791    HG   LEU 109           HG       LEU 109  32.880   7.475  17.069
  792   HD11  LEU 109          HD11      LEU 109  30.404   9.265  17.157
  793   HD12  LEU 109          HD12      LEU 109  31.309   8.652  18.554
  794   HD13  LEU 109          HD13      LEU 109  32.077   9.781  17.429
  795   HD21  LEU 109          HD21      LEU 109  31.431   5.668  16.413
  796   HD22  LEU 109          HD22      LEU 109  30.780   6.372  17.892
  797   HD23  LEU 109          HD23      LEU 109  30.021   6.732  16.325
  798    H    GLU 110           H        GLU 110  34.281   8.054  12.730
  799    HA   GLU 110           HA       GLU 110  32.775   9.547  10.838
  800    HB2  GLU 110           HB2      GLU 110  35.567   8.327  10.677
  801    HB3  GLU 110           HB3      GLU 110  34.880   9.411   9.445
  802    HG2  GLU 110           HG2      GLU 110  34.482  11.121  11.181
  803    HG3  GLU 110           HG3      GLU 110  35.255  10.070  12.379
  804    H    VAL 111           H        VAL 111  33.911   6.080  10.725
  805    HA   VAL 111           HA       VAL 111  32.901   5.937   8.028
  806    HB   VAL 111           HB       VAL 111  33.729   3.683   9.918
  807   HG11  VAL 111          HG11      VAL 111  32.267   2.790   8.206
  808   HG12  VAL 111          HG12      VAL 111  33.022   3.787   6.934
  809   HG13  VAL 111          HG13      VAL 111  33.903   2.444   7.655
  810   HG21  VAL 111          HG21      VAL 111  35.229   5.124   7.674
  811   HG22  VAL 111          HG22      VAL 111  35.634   5.157   9.403
  812   HG23  VAL 111          HG23      VAL 111  35.794   3.659   8.490
  813    H    PHE 112           H        PHE 112  31.620   4.933  11.267
  814    HA   PHE 112           HA       PHE 112  29.096   4.043  10.418
  815    HB2  PHE 112           HB2      PHE 112  29.854   5.713  12.821
  816    HB3  PHE 112           HB3      PHE 112  28.208   5.279  12.432
  817    HD1  PHE 112           HD1      PHE 112  31.528   3.463  12.736
  818    HD2  PHE 112           HD2      PHE 112  27.291   3.498  13.573
  819    HE1  PHE 112           HE1      PHE 112  31.748   1.354  13.998
  820    HE2  PHE 112           HE2      PHE 112  27.547   1.404  14.880
  821    HZ   PHE 112           HZ       PHE 112  29.768   0.326  15.084
  822    H    ARG 113           H        ARG 113  30.053   7.521  10.859
  823    HA   ARG 113           HA       ARG 113  27.590   8.644   9.949
  824    HB2  ARG 113           HB2      ARG 113  30.441   9.729   9.703
  825    HB3  ARG 113           HB3      ARG 113  29.002  10.642   9.307
  826    HG2  ARG 113           HG2      ARG 113  28.218  10.430  11.670
  827    HG3  ARG 113           HG3      ARG 113  29.720   9.601  12.083
  828    HD2  ARG 113           HD2      ARG 113  31.043  11.524  11.425
  829    HD3  ARG 113           HD3      ARG 113  29.598  12.397  10.886
  830    HE   ARG 113           HE       ARG 113  28.830  11.975  13.367
  831   HH11  ARG 113          HH21      ARG 113  32.041  13.119  12.251
  832   HH12  ARG 113          HH22      ARG 113  32.409  13.914  13.737
  833   HH21  ARG 113          HH11      ARG 113  29.329  12.997  15.281
  834   HH22  ARG 113          HH12      ARG 113  30.828  13.867  15.517
  835    H    THR 114           H        THR 114  30.539   7.747   8.116
  836    HA   THR 114           HA       THR 114  29.608   8.920   5.704
  837    HB   THR 114           HB       THR 114  31.674   6.717   6.155
  838    HG1  THR 114           HG1      THR 114  32.254   8.559   7.269
  839   HG21  THR 114          HG21      THR 114  31.293   8.614   3.791
  840   HG22  THR 114          HG22      THR 114  32.665   7.499   4.022
  841   HG23  THR 114          HG23      THR 114  31.037   6.857   3.781
  842    H    VAL 115           H        VAL 115  29.392   5.553   7.016
  843    HA   VAL 115           HA       VAL 115  28.429   4.548   4.482
  844    HB   VAL 115           HB       VAL 115  28.012   3.193   7.187
  845   HG11  VAL 115          HG11      VAL 115  28.013   2.211   4.289
  846   HG12  VAL 115          HG12      VAL 115  28.006   1.128   5.688
  847   HG13  VAL 115          HG13      VAL 115  26.644   2.226   5.414
  848   HG21  VAL 115          HG21      VAL 115  30.099   1.819   6.215
  849   HG22  VAL 115          HG22      VAL 115  30.470   3.397   5.471
  850   HG23  VAL 115          HG23      VAL 115  30.294   3.222   7.222
  851    H    ARG 116           H        ARG 116  26.890   5.581   7.520
  852    HA   ARG 116           HA       ARG 116  24.181   5.321   6.916
  853    HB2  ARG 116           HB2      ARG 116  24.999   5.998   9.062
  854    HB3  ARG 116           HB3      ARG 116  25.916   7.320   8.384
  855    HG2  ARG 116           HG2      ARG 116  23.653   8.458   7.848
  856    HG3  ARG 116           HG3      ARG 116  22.976   7.216   8.928
  857    HD2  ARG 116           HD2      ARG 116  23.455   8.767  10.494
  858    HD3  ARG 116           HD3      ARG 116  25.060   7.939  10.422
  859    HE   ARG 116           HE       ARG 116  25.033  10.044   8.507
  860   HH11  ARG 116          HH11      ARG 116  24.913   9.842  12.061
  861   HH12  ARG 116          HH12      ARG 116  26.092  11.090  12.317
  862   HH21  ARG 116          HH21      ARG 116  26.281  11.964   8.865
  863   HH22  ARG 116          HH22      ARG 116  26.626  12.473  10.477
  864    H    GLY 117           H        GLY 117  26.270   8.224   6.042
  865    HA2  GLY 117           HA2      GLY 117  24.135   9.503   4.681
  866    HA3  GLY 117           HA3      GLY 117  25.871   9.827   4.425
  867    H    GLN 118           H        GLN 118  26.700   7.317   3.384
  868    HA   GLN 118           HA       GLN 118  25.832   7.553   0.690
  869    HB2  GLN 118           HB2      GLN 118  27.382   5.384   2.181
  870    HB3  GLN 118           HB3      GLN 118  27.083   5.335   0.441
  871    HG2  GLN 118           HG2      GLN 118  27.984   7.969   0.857
  872    HG3  GLN 118           HG3      GLN 118  28.956   7.035   1.983
  873   HE21  GLN 118          HE22      GLN 118  30.550   5.526   1.126
  874   HE22  GLN 118          HE21      GLN 118  30.923   5.495  -0.593
  875    H    VAL 119           H        VAL 119  24.791   5.380   3.280
  876    HA   VAL 119           HA       VAL 119  23.024   3.778   1.671
  877    HB   VAL 119           HB       VAL 119  23.135   4.464   4.642
  878   HG11  VAL 119          HG11      VAL 119  21.532   2.656   5.045
  879   HG12  VAL 119          HG12      VAL 119  20.798   4.032   4.221
  880   HG13  VAL 119          HG13      VAL 119  21.197   2.561   3.293
  881   HG21  VAL 119          HG21      VAL 119  23.564   1.811   3.159
  882   HG22  VAL 119          HG22      VAL 119  24.899   2.899   3.565
  883   HG23  VAL 119          HG23      VAL 119  23.937   2.168   4.860
  884    H    LYS 120           H        LYS 120  22.616   6.936   3.427
  885    HA   LYS 120           HA       LYS 120  19.842   7.018   3.087
  886    HB2  LYS 120           HB2      LYS 120  19.869   9.040   3.983
  887    HB3  LYS 120           HB3      LYS 120  21.460   8.518   4.472
  888    HG2  LYS 120           HG2      LYS 120  22.501  10.218   3.467
  889    HG3  LYS 120           HG3      LYS 120  21.628  10.084   1.973
  890    HD2  LYS 120           HD2      LYS 120  20.460  11.292   4.516
  891    HD3  LYS 120           HD3      LYS 120  21.260  12.249   3.271
  892    HE2  LYS 120           HE2      LYS 120  18.968  10.421   2.455
  893    HE3  LYS 120           HE3      LYS 120  18.592  11.918   3.316
  894    HZ1  LYS 120           HZ1      LYS 120  20.174  11.844   0.795
  895    HZ2  LYS 120           HZ2      LYS 120  18.562  12.159   0.886
  896    HZ3  LYS 120           HZ3      LYS 120  19.641  13.180   1.584
  897    H    GLU 121           H        GLU 121  22.375   8.067   0.818
  898    HA   GLU 121           HA       GLU 121  20.497   9.075  -1.104
  899    HB2  GLU 121           HB2      GLU 121  23.327   7.966  -1.501
  900    HB3  GLU 121           HB3      GLU 121  22.397   8.803  -2.744
  901    HG2  GLU 121           HG2      GLU 121  23.355   9.996  -0.114
  902    HG3  GLU 121           HG3      GLU 121  24.024  10.285  -1.719
  903    H    ARG 122           H        ARG 122  21.923   5.750  -0.650
  904    HA   ARG 122           HA       ARG 122  20.659   4.723  -3.051
  905    HB2  ARG 122           HB2      ARG 122  21.758   3.386  -0.537
  906    HB3  ARG 122           HB3      ARG 122  20.850   2.507  -1.766
  907    HG2  ARG 122           HG2      ARG 122  23.094   2.167  -2.313
  908    HG3  ARG 122           HG3      ARG 122  22.426   3.279  -3.519
  909    HD2  ARG 122           HD2      ARG 122  23.509   5.174  -2.321
  910    HD3  ARG 122           HD3      ARG 122  24.183   3.998  -1.154
  911    HE   ARG 122           HE       ARG 122  24.937   3.204  -3.765
  912   HH11  ARG 122          HH21      ARG 122  25.528   5.977  -1.627
  913   HH12  ARG 122          HH22      ARG 122  27.191   6.184  -2.112
  914   HH21  ARG 122          HH11      ARG 122  27.112   3.528  -4.474
  915   HH22  ARG 122          HH12      ARG 122  28.069   4.809  -3.824
  916    H    VAL 123           H        VAL 123  19.596   4.784   0.399
  917    HA   VAL 123           HA       VAL 123  17.077   3.643   0.042
  918    HB   VAL 123           HB       VAL 123  18.069   5.883   1.883
  919   HG11  VAL 123          HG11      VAL 123  15.746   6.135   1.938
  920   HG12  VAL 123          HG12      VAL 123  15.462   4.367   1.911
  921   HG13  VAL 123          HG13      VAL 123  16.158   5.166   3.342
  922   HG21  VAL 123          HG21      VAL 123  19.136   3.564   2.151
  923   HG22  VAL 123          HG22      VAL 123  18.295   4.185   3.567
  924   HG23  VAL 123          HG23      VAL 123  17.513   2.958   2.561
  925    H    GLU 124           H        GLU 124  17.951   7.132  -0.280
  926    HA   GLU 124           HA       GLU 124  15.327   7.869  -0.956
  927    HB2  GLU 124           HB2      GLU 124  17.033   9.252  -0.005
  928    HB3  GLU 124           HB3      GLU 124  17.964   9.240  -1.532
  929    HG2  GLU 124           HG2      GLU 124  16.013  10.247  -2.669
  930    HG3  GLU 124           HG3      GLU 124  15.137  10.274  -1.115
  931    H    ASN 125           H        ASN 125  18.016   6.807  -3.032
  932    HA   ASN 125           HA       ASN 125  16.778   7.336  -5.535
  933    HB2  ASN 125           HB2      ASN 125  18.935   5.448  -4.599
  934    HB3  ASN 125           HB3      ASN 125  18.207   5.188  -6.170
  935   HD21  ASN 125          HD22      ASN 125  20.024   7.622  -4.262
  936   HD22  ASN 125          HD21      ASN 125  20.613   8.506  -5.658
  937    H    LEU 126           H        LEU 126  16.728   4.414  -3.442
  938    HA   LEU 126           HA       LEU 126  14.989   2.878  -5.126
  939    HB2  LEU 126           HB2      LEU 126  15.920   1.529  -3.661
  940    HB3  LEU 126           HB3      LEU 126  16.066   2.763  -2.396
  941    HG   LEU 126           HG       LEU 126  13.318   1.720  -2.796
  942   HD11  LEU 126          HD11      LEU 126  13.876  -0.372  -1.496
  943   HD12  LEU 126          HD12      LEU 126  14.513  -0.349  -3.157
  944   HD13  LEU 126          HD13      LEU 126  15.571   0.006  -1.781
  945   HD21  LEU 126          HD21      LEU 126  14.950   1.717  -0.228
  946   HD22  LEU 126          HD22      LEU 126  14.222   3.193  -0.844
  947   HD23  LEU 126          HD23      LEU 126  13.186   1.813  -0.438
  948    H    ILE 127           H        ILE 127  14.344   5.153  -2.514
  949    HA   ILE 127           HA       ILE 127  11.506   4.853  -2.429
  950    HB   ILE 127           HB       ILE 127  13.532   6.899  -1.622
  951   HG12  ILE 127          HG12      ILE 127  11.319   5.520  -0.026
  952   HG13  ILE 127          HG13      ILE 127  12.695   4.578  -0.558
  953   HG21  ILE 127          HG21      ILE 127  11.700   8.361  -2.270
  954   HG22  ILE 127          HG22      ILE 127  10.574   7.411  -1.265
  955   HG23  ILE 127          HG23      ILE 127  11.910   8.304  -0.520
  956   HD11  ILE 127          HD11      ILE 127  13.399   5.272   1.495
  957   HD12  ILE 127          HD12      ILE 127  14.162   6.501   0.458
  958   HD13  ILE 127          HD13      ILE 127  12.665   6.896   1.335
  959    H    ALA 128           H        ALA 128  13.615   7.019  -4.428
  960    HA   ALA 128           HA       ALA 128  11.420   8.233  -5.705
  961    HB1  ALA 128           HB1      ALA 128  13.103   9.105  -7.279
  962    HB2  ALA 128           HB2      ALA 128  13.768   9.158  -5.627
  963    HB3  ALA 128           HB3      ALA 128  14.270   7.875  -6.754
  964    H    LYS 129           H        LYS 129  13.008   5.135  -6.421
  965    HA   LYS 129           HA       LYS 129  11.727   4.825  -8.957
  966    HB2  LYS 129           HB2      LYS 129  12.686   2.710  -6.988
  967    HB3  LYS 129           HB3      LYS 129  12.161   2.396  -8.642
  968    HG2  LYS 129           HG2      LYS 129  14.000   3.742  -9.552
  969    HG3  LYS 129           HG3      LYS 129  14.460   4.268  -7.938
  970    HD2  LYS 129           HD2      LYS 129  16.016   2.599  -8.536
  971    HD3  LYS 129           HD3      LYS 129  14.963   1.973  -7.271
  972    HE2  LYS 129           HE2      LYS 129  15.346   0.207  -8.863
  973    HE3  LYS 129           HE3      LYS 129  13.657   0.701  -9.014
  974    HZ1  LYS 129           HZ1      LYS 129  14.283   1.956 -11.025
  975    HZ2  LYS 129           HZ2      LYS 129  15.858   1.540 -10.840
  976    HZ3  LYS 129           HZ3      LYS 129  14.746   0.399 -11.178
  977    H    ILE 130           H        ILE 130  10.876   3.602  -5.674
  978    HA   ILE 130           HA       ILE 130   8.452   2.563  -6.787
  979    HB   ILE 130           HB       ILE 130   8.133   2.149  -4.081
  980   HG12  ILE 130          HG12      ILE 130  11.096   1.882  -4.560
  981   HG13  ILE 130          HG13      ILE 130  10.321   3.077  -3.492
  982   HG21  ILE 130          HG21      ILE 130   8.784  -0.145  -4.697
  983   HG22  ILE 130          HG22      ILE 130   7.903   0.598  -6.016
  984   HG23  ILE 130          HG23      ILE 130   9.690   0.511  -6.105
  985   HD11  ILE 130          HD11      ILE 130   9.262   0.760  -2.475
  986   HD12  ILE 130          HD12      ILE 130  10.795   0.161  -3.127
  987   HD13  ILE 130          HD13      ILE 130  10.826   1.460  -1.940
  988    H    SER 131           H        SER 131   8.952   5.352  -4.643
  989    HA   SER 131           HA       SER 131   6.503   5.509  -3.450
  990    HB2  SER 131           HB2      SER 131   8.032   7.875  -4.574
  991    HB3  SER 131           HB3      SER 131   6.776   7.940  -3.326
  992    HG   SER 131           HG       SER 131   9.344   6.768  -3.229
  Start of MODEL    9
    1    H    MET   1           H        MET   1   1.384  -1.037   2.039
    2    HA   MET   1           HA       MET   1   1.253   0.286  -0.596
    3    HB2  MET   1           HB2      MET   1   1.374   1.613   1.749
    4    HB3  MET   1           HB3      MET   1   3.078   1.189   1.661
    5    HG2  MET   1           HG2      MET   1   2.671   3.398   0.770
    6    HG3  MET   1           HG3      MET   1   3.200   2.352  -0.545
    7    HE1  MET   1           HE1      MET   1   2.425   4.480  -2.022
    8    HE2  MET   1           HE2      MET   1   0.745   5.042  -2.148
    9    HE3  MET   1           HE3      MET   1   1.666   5.326  -0.659
   10    H    LYS   2           H        LYS   2   3.575   0.331  -1.730
   11    HA   LYS   2           HA       LYS   2   4.373  -2.360  -1.839
   12    HB2  LYS   2           HB2      LYS   2   6.373  -1.690  -3.153
   13    HB3  LYS   2           HB3      LYS   2   4.826  -1.146  -3.824
   14    HG2  LYS   2           HG2      LYS   2   6.893   0.425  -2.380
   15    HG3  LYS   2           HG3      LYS   2   6.758   0.273  -4.111
   16    HD2  LYS   2           HD2      LYS   2   4.417   1.206  -4.057
   17    HD3  LYS   2           HD3      LYS   2   4.666   1.665  -2.359
   18    HE2  LYS   2           HE2      LYS   2   6.398   3.213  -2.914
   19    HE3  LYS   2           HE3      LYS   2   6.530   2.529  -4.567
   20    HZ1  LYS   2           HZ1      LYS   2   5.304   4.633  -4.614
   21    HZ2  LYS   2           HZ2      LYS   2   4.260   3.437  -4.970
   22    HZ3  LYS   2           HZ3      LYS   2   4.265   4.119  -3.461
   23    H    LYS   3           H        LYS   3   5.699  -3.647  -0.742
   24    HA   LYS   3           HA       LYS   3   6.784  -2.391   1.697
   25    HB2  LYS   3           HB2      LYS   3   6.755  -5.337   1.207
   26    HB3  LYS   3           HB3      LYS   3   6.765  -4.457   2.729
   27    HG2  LYS   3           HG2      LYS   3   4.395  -3.721   2.232
   28    HG3  LYS   3           HG3      LYS   3   4.450  -4.733   0.775
   29    HD2  LYS   3           HD2      LYS   3   3.263  -5.833   2.606
   30    HD3  LYS   3           HD3      LYS   3   4.683  -6.745   2.090
   31    HE2  LYS   3           HE2      LYS   3   5.954  -6.127   4.007
   32    HE3  LYS   3           HE3      LYS   3   4.773  -4.886   4.495
   33    HZ1  LYS   3           HZ1      LYS   3   4.584  -6.938   5.809
   34    HZ2  LYS   3           HZ2      LYS   3   3.198  -6.654   4.988
   35    HZ3  LYS   3           HZ3      LYS   3   4.238  -7.815   4.465
   36    H    VAL   4           H        VAL   4   8.857  -2.441   2.283
   37    HA   VAL   4           HA       VAL   4  10.807  -3.444   0.300
   38    HB   VAL   4           HB       VAL   4  11.199  -1.072   2.094
   39   HG11  VAL   4          HG11      VAL   4  13.299  -1.958   1.297
   40   HG12  VAL   4          HG12      VAL   4  12.680  -2.143  -0.332
   41   HG13  VAL   4          HG13      VAL   4  12.947  -0.512   0.340
   42   HG21  VAL   4          HG21      VAL   4   9.359  -0.434   0.609
   43   HG22  VAL   4          HG22      VAL   4  10.824   0.318  -0.031
   44   HG23  VAL   4          HG23      VAL   4  10.171  -1.139  -0.794
   45    H    MET   5           H        MET   5  12.831  -4.206   1.182
   46    HA   MET   5           HA       MET   5  12.901  -4.777   4.082
   47    HB2  MET   5           HB2      MET   5  11.969  -6.746   2.831
   48    HB3  MET   5           HB3      MET   5  13.454  -6.743   1.851
   49    HG2  MET   5           HG2      MET   5  13.570  -8.439   3.610
   50    HG3  MET   5           HG3      MET   5  14.820  -7.224   3.800
   51    HE1  MET   5           HE1      MET   5  11.292  -8.134   6.588
   52    HE2  MET   5           HE2      MET   5  11.072  -7.871   4.841
   53    HE3  MET   5           HE3      MET   5  12.068  -9.224   5.421
   54    H    PHE   6           H        PHE   6  15.006  -4.702   4.861
   55    HA   PHE   6           HA       PHE   6  17.188  -4.200   2.899
   56    HB2  PHE   6           HB2      PHE   6  16.705  -2.858   5.560
   57    HB3  PHE   6           HB3      PHE   6  18.173  -2.708   4.580
   58    HD1  PHE   6           HD1      PHE   6  14.588  -1.879   4.792
   59    HD2  PHE   6           HD2      PHE   6  18.173  -1.480   2.433
   60    HE1  PHE   6           HE1      PHE   6  13.423  -0.342   3.286
   61    HE2  PHE   6           HE2      PHE   6  17.030   0.180   1.000
   62    HZ   PHE   6           HZ       PHE   6  14.660   0.797   1.432
   63    H    VAL   7           H        VAL   7  18.737  -5.859   3.106
   64    HA   VAL   7           HA       VAL   7  18.460  -7.659   5.467
   65    HB   VAL   7           HB       VAL   7  19.883  -8.333   2.880
   66   HG11  VAL   7          HG11      VAL   7  18.438 -10.114   4.862
   67   HG12  VAL   7          HG12      VAL   7  19.397 -10.596   3.442
   68   HG13  VAL   7          HG13      VAL   7  20.196  -9.849   4.821
   69   HG21  VAL   7          HG21      VAL   7  17.638  -7.651   2.123
   70   HG22  VAL   7          HG22      VAL   7  17.779  -9.410   2.092
   71   HG23  VAL   7          HG23      VAL   7  16.898  -8.611   3.417
   72    H    CYS   8           H        CYS   8  20.085  -7.891   6.905
   73    HA   CYS   8           HA       CYS   8  22.792  -6.789   6.286
   74    HB2  CYS   8           HB2      CYS   8  21.104  -5.540   7.915
   75    HB3  CYS   8           HB3      CYS   8  21.511  -6.829   9.055
   76    HG   CYS   8           HG       CYS   8  23.561  -4.816   7.392
   77    H    LYS   9           H        LYS   9  24.172  -7.591   8.382
   78    HA   LYS   9           HA       LYS   9  23.657 -10.224   9.333
   79    HB2  LYS   9           HB2      LYS   9  24.488 -10.921   7.099
   80    HB3  LYS   9           HB3      LYS   9  25.986 -10.025   7.344
   81    HG2  LYS   9           HG2      LYS   9  26.544 -11.492   9.279
   82    HG3  LYS   9           HG3      LYS   9  24.994 -12.330   9.093
   83    HD2  LYS   9           HD2      LYS   9  25.681 -13.099   6.833
   84    HD3  LYS   9           HD3      LYS   9  27.233 -12.248   7.017
   85    HE2  LYS   9           HE2      LYS   9  27.752 -13.636   9.017
   86    HE3  LYS   9           HE3      LYS   9  26.212 -14.485   8.839
   87    HZ1  LYS   9           HZ1      LYS   9  28.031 -15.745   7.879
   88    HZ2  LYS   9           HZ2      LYS   9  26.993 -15.323   6.692
   89    HZ3  LYS   9           HZ3      LYS   9  28.425 -14.539   6.855
   90    H    ARG  10           H        ARG  10  26.550  -8.197   8.529
   91    HA   ARG  10           HA       ARG  10  27.697  -8.658  11.110
   92    HB2  ARG  10           HB2      ARG  10  29.187  -8.230   9.325
   93    HB3  ARG  10           HB3      ARG  10  28.307  -6.801   8.775
   94    HG2  ARG  10           HG2      ARG  10  29.100  -5.441  10.550
   95    HG3  ARG  10           HG3      ARG  10  29.751  -6.826  11.456
   96    HD2  ARG  10           HD2      ARG  10  30.732  -6.058   8.700
   97    HD3  ARG  10           HD3      ARG  10  31.399  -5.329  10.148
   98    HE   ARG  10           HE       ARG  10  32.165  -7.449  10.941
   99   HH11  ARG  10          HH21      ARG  10  31.553  -7.318   7.436
  100   HH12  ARG  10          HH22      ARG  10  32.055  -8.951   7.146
  101   HH21  ARG  10          HH11      ARG  10  33.055  -9.498  10.520
  102   HH22  ARG  10          HH12      ARG  10  33.073 -10.161   8.924
  103    H    ASN  11           H        ASN  11  27.580  -7.676  12.924
  104    HA   ASN  11           HA       ASN  11  26.978  -6.362  14.612
  105    HB2  ASN  11           HB2      ASN  11  29.080  -5.461  13.583
  106    HB3  ASN  11           HB3      ASN  11  28.107  -4.259  12.737
  107   HD21  ASN  11          HD22      ASN  11  28.881  -2.396  13.763
  108   HD22  ASN  11          HD21      ASN  11  28.562  -2.071  15.472
  109    H    SER  12           H        SER  12  24.650  -6.634  12.782
  110    HA   SER  12           HA       SER  12  22.789  -5.557  12.001
  111    HB2  SER  12           HB2      SER  12  22.617  -5.101  14.988
  112    HB3  SER  12           HB3      SER  12  21.287  -5.305  13.823
  113    HG   SER  12           HG       SER  12  22.061  -7.238  15.125
  114    H    CYS  13           H        CYS  13  24.203  -3.670  11.001
  115    HA   CYS  13           HA       CYS  13  22.802  -1.231  11.959
  116    HB2  CYS  13           HB2      CYS  13  25.000   0.102  11.737
  117    HB3  CYS  13           HB3      CYS  13  24.666  -0.852  13.188
  118    HG   CYS  13           HG       CYS  13  26.130  -2.763  12.870
  119    H    ARG  14           H        ARG  14  25.256  -1.744   9.287
  120    HA   ARG  14           HA       ARG  14  24.321   0.376   7.863
  121    HB2  ARG  14           HB2      ARG  14  25.375  -0.414   5.878
  122    HB3  ARG  14           HB3      ARG  14  26.335  -0.833   7.279
  123    HG2  ARG  14           HG2      ARG  14  25.386  -3.196   7.153
  124    HG3  ARG  14           HG3      ARG  14  24.591  -2.739   5.637
  125    HD2  ARG  14           HD2      ARG  14  26.835  -2.264   4.625
  126    HD3  ARG  14           HD3      ARG  14  27.599  -2.689   6.155
  127    HE   ARG  14           HE       ARG  14  25.825  -4.725   4.896
  128   HH11  ARG  14          HH21      ARG  14  29.196  -3.675   5.055
  129   HH12  ARG  14          HH22      ARG  14  29.842  -5.274   5.379
  130   HH21  ARG  14          HH11      ARG  14  26.690  -6.795   4.617
  131   HH22  ARG  14          HH12      ARG  14  28.392  -7.096   4.820
  132    H    SER  15           H        SER  15  22.746  -2.807   7.369
  133    HA   SER  15           HA       SER  15  20.892  -1.542   5.509
  134    HB2  SER  15           HB2      SER  15  20.249  -4.269   6.173
  135    HB3  SER  15           HB3      SER  15  20.846  -3.569   4.658
  136    HG   SER  15           HG       SER  15  22.378  -5.016   5.324
  137    H    GLN  16           H        GLN  16  20.787  -2.616   8.917
  138    HA   GLN  16           HA       GLN  16  17.929  -2.274   9.217
  139    HB2  GLN  16           HB2      GLN  16  19.275  -3.535  10.827
  140    HB3  GLN  16           HB3      GLN  16  20.278  -2.120  11.153
  141    HG2  GLN  16           HG2      GLN  16  18.121  -0.982  11.984
  142    HG3  GLN  16           HG3      GLN  16  17.383  -2.593  11.950
  143   HE21  GLN  16          HE22      GLN  16  17.959  -0.806  14.333
  144   HE22  GLN  16          HE21      GLN  16  19.153  -1.642  15.275
  145    H    MET  17           H        MET  17  20.743  -0.080   9.331
  146    HA   MET  17           HA       MET  17  19.311   2.319   9.903
  147    HB2  MET  17           HB2      MET  17  21.906   1.755   9.793
  148    HB3  MET  17           HB3      MET  17  21.725   2.210   8.068
  149    HG2  MET  17           HG2      MET  17  21.074   3.847  10.542
  150    HG3  MET  17           HG3      MET  17  22.488   4.037   9.511
  151    HE1  MET  17           HE1      MET  17  18.390   6.027   8.828
  152    HE2  MET  17           HE2      MET  17  18.523   4.467   9.696
  153    HE3  MET  17           HE3      MET  17  19.225   5.976  10.371
  154    H    ALA  18           H        ALA  18  20.075   0.649   6.814
  155    HA   ALA  18           HA       ALA  18  19.028   2.681   5.191
  156    HB1  ALA  18           HB1      ALA  18  20.403   0.685   4.506
  157    HB2  ALA  18           HB2      ALA  18  18.939  -0.314   4.629
  158    HB3  ALA  18           HB3      ALA  18  19.007   0.999   3.434
  159    H    GLU  19           H        GLU  19  17.274   0.059   6.927
  160    HA   GLU  19           HA       GLU  19  14.696   0.806   5.907
  161    HB2  GLU  19           HB2      GLU  19  15.177  -1.258   7.262
  162    HB3  GLU  19           HB3      GLU  19  15.325  -0.212   8.682
  163    HG2  GLU  19           HG2      GLU  19  12.878   0.599   7.755
  164    HG3  GLU  19           HG3      GLU  19  12.908  -1.033   7.140
  165    H    GLY  20           H        GLY  20  16.743   2.185   8.603
  166    HA2  GLY  20           HA2      GLY  20  14.636   3.738   9.731
  167    HA3  GLY  20           HA3      GLY  20  16.376   4.017   9.908
  168    H    PHE  21           H        PHE  21  17.136   4.482   7.214
  169    HA   PHE  21           HA       PHE  21  16.071   7.167   6.751
  170    HB2  PHE  21           HB2      PHE  21  17.960   5.344   5.266
  171    HB3  PHE  21           HB3      PHE  21  17.248   6.716   4.428
  172    HD1  PHE  21           HD1      PHE  21  17.259   9.016   6.038
  173    HD2  PHE  21           HD2      PHE  21  20.170   5.827   5.902
  174    HE1  PHE  21           HE1      PHE  21  19.002  10.553   6.878
  175    HE2  PHE  21           HE2      PHE  21  21.871   7.339   6.698
  176    HZ   PHE  21           HZ       PHE  21  21.327   9.743   7.214
  177    H    ALA  22           H        ALA  22  15.387   3.911   5.346
  178    HA   ALA  22           HA       ALA  22  13.850   5.045   3.221
  179    HB1  ALA  22           HB1      ALA  22  14.895   2.844   3.037
  180    HB2  ALA  22           HB2      ALA  22  13.914   2.237   4.372
  181    HB3  ALA  22           HB3      ALA  22  13.136   2.691   2.830
  182    H    LYS  23           H        LYS  23  12.821   3.856   6.465
  183    HA   LYS  23           HA       LYS  23  10.044   4.342   5.891
  184    HB2  LYS  23           HB2      LYS  23   9.633   3.734   8.113
  185    HB3  LYS  23           HB3      LYS  23  11.053   2.791   7.649
  186    HG2  LYS  23           HG2      LYS  23  12.452   4.643   8.752
  187    HG3  LYS  23           HG3      LYS  23  10.932   5.264   9.422
  188    HD2  LYS  23           HD2      LYS  23  10.572   2.971  10.461
  189    HD3  LYS  23           HD3      LYS  23  12.192   2.527   9.858
  190    HE2  LYS  23           HE2      LYS  23  13.106   4.550  11.126
  191    HE3  LYS  23           HE3      LYS  23  11.501   4.773  11.823
  192    HZ1  LYS  23           HZ1      LYS  23  11.698   2.591  12.861
  193    HZ2  LYS  23           HZ2      LYS  23  13.175   2.327  12.141
  194    HZ3  LYS  23           HZ3      LYS  23  13.016   3.507  13.257
  195    H    THR  24           H        THR  24  12.660   6.377   6.952
  196    HA   THR  24           HA       THR  24  11.133   8.655   7.806
  197    HB   THR  24           HB       THR  24  13.953   7.876   7.112
  198    HG1  THR  24           HG1      THR  24  13.620   7.433   9.102
  199   HG21  THR  24          HG21      THR  24  13.969  10.053   6.163
  200   HG22  THR  24          HG22      THR  24  13.297  10.755   7.669
  201   HG23  THR  24          HG23      THR  24  14.912   9.973   7.654
  202    H    LEU  25           H        LEU  25  12.885   7.824   4.811
  203    HA   LEU  25           HA       LEU  25  12.115  10.267   3.506
  204    HB2  LEU  25           HB2      LEU  25  13.732   7.845   2.753
  205    HB3  LEU  25           HB3      LEU  25  13.451   9.165   1.603
  206    HG   LEU  25           HG       LEU  25  14.837   9.414   4.273
  207   HD11  LEU  25          HD11      LEU  25  16.144   8.072   2.626
  208   HD12  LEU  25          HD12      LEU  25  15.932   9.370   1.425
  209   HD13  LEU  25          HD13      LEU  25  16.894   9.635   2.905
  210   HD21  LEU  25          HD21      LEU  25  14.550  11.424   1.990
  211   HD22  LEU  25          HD22      LEU  25  13.824  11.571   3.609
  212   HD23  LEU  25          HD23      LEU  25  15.569  11.640   3.432
  213    H    GLY  26           H        GLY  26  11.122   6.898   3.391
  214    HA2  GLY  26           HA2      GLY  26   9.430   7.184   0.985
  215    HA3  GLY  26           HA3      GLY  26   9.908   5.710   1.856
  216    H    ALA  27           H        ALA  27   8.914   8.311   3.894
  217    HA   ALA  27           HA       ALA  27   7.005   6.728   5.209
  218    HB1  ALA  27           HB1      ALA  27   8.309   8.625   6.235
  219    HB2  ALA  27           HB2      ALA  27   7.351   9.768   5.284
  220    HB3  ALA  27           HB3      ALA  27   6.566   8.763   6.524
  221    H    GLY  28           H        GLY  28   4.991   6.195   4.648
  222    HA2  GLY  28           HA2      GLY  28   2.819   6.466   3.936
  223    HA3  GLY  28           HA3      GLY  28   3.155   8.171   3.557
  224    H    LYS  29           H        LYS  29   5.452   6.153   2.041
  225    HA   LYS  29           HA       LYS  29   3.949   6.153  -0.502
  226    HB2  LYS  29           HB2      LYS  29   6.864   6.685   0.107
  227    HB3  LYS  29           HB3      LYS  29   6.203   6.507  -1.519
  228    HG2  LYS  29           HG2      LYS  29   5.280   8.596   0.483
  229    HG3  LYS  29           HG3      LYS  29   6.537   8.895  -0.722
  230    HD2  LYS  29           HD2      LYS  29   4.886   8.398  -2.543
  231    HD3  LYS  29           HD3      LYS  29   3.619   8.187  -1.309
  232    HE2  LYS  29           HE2      LYS  29   4.009  10.514  -0.516
  233    HE3  LYS  29           HE3      LYS  29   5.260  10.731  -1.748
  234    HZ1  LYS  29           HZ1      LYS  29   2.387  10.220  -2.309
  235    HZ2  LYS  29           HZ2      LYS  29   3.148  11.657  -2.457
  236    HZ3  LYS  29           HZ3      LYS  29   3.548  10.424  -3.450
  237    H    ILE  30           H        ILE  30   5.970   4.449   1.802
  238    HA   ILE  30           HA       ILE  30   5.479   1.906   0.411
  239    HB   ILE  30           HB       ILE  30   7.873   1.265   0.881
  240   HG12  ILE  30          HG12      ILE  30   8.562   4.206   0.994
  241   HG13  ILE  30          HG13      ILE  30   8.265   3.305   2.480
  242   HG21  ILE  30          HG21      ILE  30   8.599   1.941  -1.195
  243   HG22  ILE  30          HG22      ILE  30   6.841   2.110  -1.293
  244   HG23  ILE  30          HG23      ILE  30   7.845   3.563  -1.091
  245   HD11  ILE  30          HD11      ILE  30  10.636   3.320   2.078
  246   HD12  ILE  30          HD12      ILE  30  10.036   1.672   1.832
  247   HD13  ILE  30          HD13      ILE  30  10.429   2.709   0.423
  248    H    ALA  31           H        ALA  31   6.308   0.133   1.821
  249    HA   ALA  31           HA       ALA  31   5.964   0.714   4.752
  250    HB1  ALA  31           HB1      ALA  31   4.085  -0.719   3.914
  251    HB2  ALA  31           HB2      ALA  31   5.266  -1.844   3.214
  252    HB3  ALA  31           HB3      ALA  31   5.173  -1.639   4.975
  253    H    VAL  32           H        VAL  32   7.751  -0.100   5.961
  254    HA   VAL  32           HA       VAL  32   9.971  -1.203   4.362
  255    HB   VAL  32           HB       VAL  32  10.312   0.884   6.489
  256   HG11  VAL  32          HG11      VAL  32  11.704   0.787   3.844
  257   HG12  VAL  32          HG12      VAL  32  12.247   1.444   5.419
  258   HG13  VAL  32          HG13      VAL  32  12.195  -0.307   5.173
  259   HG21  VAL  32          HG21      VAL  32   8.729   2.187   5.347
  260   HG22  VAL  32          HG22      VAL  32  10.247   2.673   4.575
  261   HG23  VAL  32          HG23      VAL  32   9.194   1.535   3.770
  262    H    THR  33           H        THR  33  11.232  -2.770   5.331
  263    HA   THR  33           HA       THR  33  11.192  -3.151   8.278
  264    HB   THR  33           HB       THR  33  10.790  -5.387   6.337
  265    HG1  THR  33           HG1      THR  33   8.778  -3.982   7.773
  266   HG21  THR  33          HG21      THR  33   9.838  -6.588   8.351
  267   HG22  THR  33          HG22      THR  33  11.565  -6.281   8.425
  268   HG23  THR  33          HG23      THR  33  10.449  -5.255   9.357
  269    H    SER  34           H        SER  34  13.058  -4.727   8.933
  270    HA   SER  34           HA       SER  34  15.211  -4.986   6.920
  271    HB2  SER  34           HB2      SER  34  16.860  -4.376   8.751
  272    HB3  SER  34           HB3      SER  34  16.026  -3.078   7.919
  273    HG   SER  34           HG       SER  34  14.546  -2.958   9.710
  274    H    CYS  35           H        CYS  35  16.826  -6.679   7.602
  275    HA   CYS  35           HA       CYS  35  16.027  -8.511   9.773
  276    HB2  CYS  35           HB2      CYS  35  15.643 -10.389   8.191
  277    HB3  CYS  35           HB3      CYS  35  14.452  -9.098   7.929
  278    HG   CYS  35           HG       CYS  35  15.030 -10.124   5.668
  279    H    GLY  36           H        GLY  36  17.504 -10.528   9.593
  280    HA2  GLY  36           HA2      GLY  36  19.662 -11.415   9.308
  281    HA3  GLY  36           HA3      GLY  36  20.053 -10.102   8.191
  282    H    LEU  37           H        LEU  37  18.763 -10.001  11.557
  283    HA   LEU  37           HA       LEU  37  20.686  -8.025  12.524
  284    HB2  LEU  37           HB2      LEU  37  18.500  -9.794  13.652
  285    HB3  LEU  37           HB3      LEU  37  19.619  -8.905  14.686
  286    HG   LEU  37           HG       LEU  37  17.639  -7.774  14.577
  287   HD11  LEU  37          HD11      LEU  37  18.119  -5.533  13.873
  288   HD12  LEU  37          HD12      LEU  37  19.534  -6.277  14.619
  289   HD13  LEU  37          HD13      LEU  37  19.433  -6.090  12.833
  290   HD21  LEU  37          HD21      LEU  37  16.681  -8.584  12.411
  291   HD22  LEU  37          HD22      LEU  37  16.452  -6.859  12.718
  292   HD23  LEU  37          HD23      LEU  37  17.707  -7.387  11.574
  293    H    GLU  38           H        GLU  38  22.656  -8.759  13.474
  294    HA   GLU  38           HA       GLU  38  23.855 -11.073  12.654
  295    HB2  GLU  38           HB2      GLU  38  24.804  -8.944  13.787
  296    HB3  GLU  38           HB3      GLU  38  24.480  -9.767  15.320
  297    HG2  GLU  38           HG2      GLU  38  26.060 -11.521  14.796
  298    HG3  GLU  38           HG3      GLU  38  26.192 -10.994  13.117
  299    H    SER  39           H        SER  39  21.580 -10.827  15.116
  300    HA   SER  39           HA       SER  39  20.577 -12.632  16.199
  301    HB2  SER  39           HB2      SER  39  21.784 -14.215  17.636
  302    HB3  SER  39           HB3      SER  39  22.286 -14.360  15.946
  303    HG   SER  39           HG       SER  39  24.181 -13.410  16.387
  304    H    SER  40           H        SER  40  22.878 -10.481  16.957
  305    HA   SER  40           HA       SER  40  22.070  -9.771  19.698
  306    HB2  SER  40           HB2      SER  40  23.606  -8.108  17.654
  307    HB3  SER  40           HB3      SER  40  23.453  -7.795  19.397
  308    HG   SER  40           HG       SER  40  25.455  -8.871  18.847
  309    H    ARG  41           H        ARG  41  20.629  -8.124  20.215
  310    HA   ARG  41           HA       ARG  41  18.750  -7.288  18.075
  311    HB2  ARG  41           HB2      ARG  41  18.771  -7.129  21.112
  312    HB3  ARG  41           HB3      ARG  41  17.640  -6.190  20.126
  313    HG2  ARG  41           HG2      ARG  41  16.458  -8.144  20.733
  314    HG3  ARG  41           HG3      ARG  41  16.898  -8.314  19.032
  315    HD2  ARG  41           HD2      ARG  41  17.146 -10.436  20.192
  316    HD3  ARG  41           HD3      ARG  41  18.711  -9.856  19.627
  317    HE   ARG  41           HE       ARG  41  17.989  -9.146  22.388
  318   HH11  ARG  41          HH11      ARG  41  19.729 -11.545  20.350
  319   HH12  ARG  41          HH12      ARG  41  20.515 -12.272  21.700
  320   HH21  ARG  41          HH21      ARG  41  19.141 -10.086  24.130
  321   HH22  ARG  41          HH22      ARG  41  20.220 -11.407  23.871
  322    H    VAL  42           H        VAL  42  19.333  -5.548  16.942
  323    HA   VAL  42           HA       VAL  42  20.531  -3.874  16.168
  324    HB   VAL  42           HB       VAL  42  19.653  -1.924  16.965
  325   HG11  VAL  42          HG11      VAL  42  17.941  -3.558  16.136
  326   HG12  VAL  42          HG12      VAL  42  17.503  -3.874  17.822
  327   HG13  VAL  42          HG13      VAL  42  17.305  -2.253  17.142
  328   HG21  VAL  42          HG21      VAL  42  18.919  -3.058  19.695
  329   HG22  VAL  42          HG22      VAL  42  20.318  -2.009  19.414
  330   HG23  VAL  42          HG23      VAL  42  18.686  -1.402  19.133
  331    H    HIS  43           H        HIS  43  21.669  -1.625  17.231
  332    HA   HIS  43           HA       HIS  43  24.007  -2.500  18.777
  333    HB2  HIS  43           HB2      HIS  43  24.433  -3.097  16.410
  334    HB3  HIS  43           HB3      HIS  43  24.111  -1.447  15.916
  335    HD1  HIS  43           HD1      HIS  43  26.568  -3.107  18.495
  336    HD2  HIS  43           HD2      HIS  43  26.316  -0.066  15.597
  337    HE1  HIS  43           HE1      HIS  43  28.835  -1.956  18.460
  338    HA   PRO  44           HA       PRO  44  22.413   1.448  20.146
  339    HB2  PRO  44           HB2      PRO  44  24.154   2.097  22.160
  340    HB3  PRO  44           HB3      PRO  44  22.998   0.728  22.294
  341    HG2  PRO  44           HG2      PRO  44  25.878   0.629  21.295
  342    HG3  PRO  44           HG3      PRO  44  25.180  -0.315  22.676
  343    HD2  PRO  44           HD2      PRO  44  25.281  -1.467  20.277
  344    HD3  PRO  44           HD3      PRO  44  23.717  -1.542  21.158
  345    H    THR  45           H        THR  45  25.915   1.171  19.215
  346    HA   THR  45           HA       THR  45  26.339   3.917  19.094
  347    HB   THR  45           HB       THR  45  27.614   1.871  17.236
  348    HG1  THR  45           HG1      THR  45  28.887   1.281  18.890
  349   HG21  THR  45          HG21      THR  45  29.615   3.354  17.464
  350   HG22  THR  45          HG22      THR  45  28.252   4.177  16.695
  351   HG23  THR  45          HG23      THR  45  28.626   4.507  18.397
  352    H    ALA  46           H        ALA  46  24.809   1.670  16.769
  353    HA   ALA  46           HA       ALA  46  24.686   3.570  14.600
  354    HB1  ALA  46           HB1      ALA  46  24.509   1.109  14.273
  355    HB2  ALA  46           HB2      ALA  46  22.921   1.128  15.079
  356    HB3  ALA  46           HB3      ALA  46  23.160   1.999  13.542
  357    H    ILE  47           H        ILE  47  22.521   2.664  17.304
  358    HA   ILE  47           HA       ILE  47  20.339   4.343  16.516
  359    HB   ILE  47           HB       ILE  47  21.230   3.197  19.115
  360   HG12  ILE  47          HG12      ILE  47  18.996   2.189  19.062
  361   HG13  ILE  47          HG13      ILE  47  18.710   2.871  17.446
  362   HG21  ILE  47          HG21      ILE  47  18.882   5.111  18.808
  363   HG22  ILE  47          HG22      ILE  47  19.185   4.093  20.231
  364   HG23  ILE  47          HG23      ILE  47  20.319   5.367  19.827
  365   HD11  ILE  47          HD11      ILE  47  19.235   0.520  17.389
  366   HD12  ILE  47          HD12      ILE  47  20.593   1.401  16.639
  367   HD13  ILE  47          HD13      ILE  47  20.717   0.763  18.311
  368    H    ALA  48           H        ALA  48  23.153   5.097  18.680
  369    HA   ALA  48           HA       ALA  48  22.420   7.795  19.058
  370    HB1  ALA  48           HB1      ALA  48  25.233   6.617  18.935
  371    HB2  ALA  48           HB2      ALA  48  24.761   8.195  19.619
  372    HB3  ALA  48           HB3      ALA  48  24.178   6.695  20.375
  373    H    MET  49           H        MET  49  24.418   6.305  16.527
  374    HA   MET  49           HA       MET  49  25.072   8.698  15.127
  375    HB2  MET  49           HB2      MET  49  24.962   5.764  14.398
  376    HB3  MET  49           HB3      MET  49  25.479   6.986  13.226
  377    HG2  MET  49           HG2      MET  49  26.732   6.759  15.981
  378    HG3  MET  49           HG3      MET  49  27.232   5.728  14.668
  379    HE1  MET  49           HE1      MET  49  28.628   9.831  15.610
  380    HE2  MET  49           HE2      MET  49  26.949   9.378  15.998
  381    HE3  MET  49           HE3      MET  49  28.281   8.368  16.579
  382    H    MET  50           H        MET  50  22.079   6.833  15.176
  383    HA   MET  50           HA       MET  50  21.073   8.308  12.809
  384    HB2  MET  50           HB2      MET  50  19.747   6.237  14.612
  385    HB3  MET  50           HB3      MET  50  19.044   6.965  13.169
  386    HG2  MET  50           HG2      MET  50  21.065   4.851  13.395
  387    HG3  MET  50           HG3      MET  50  19.823   5.097  12.216
  388    HE1  MET  50           HE1      MET  50  22.878   4.026  11.986
  389    HE2  MET  50           HE2      MET  50  24.044   5.174  11.254
  390    HE3  MET  50           HE3      MET  50  23.592   5.309  12.955
  391    H    GLU  51           H        GLU  51  20.875   8.349  16.331
  392    HA   GLU  51           HA       GLU  51  18.801  10.267  16.494
  393    HB2  GLU  51           HB2      GLU  51  19.667   8.753  18.332
  394    HB3  GLU  51           HB3      GLU  51  21.128   9.727  18.428
  395    HG2  GLU  51           HG2      GLU  51  19.782  11.716  19.063
  396    HG3  GLU  51           HG3      GLU  51  18.300  10.774  18.889
  397    H    GLU  52           H        GLU  52  22.265  10.570  15.878
  398    HA   GLU  52           HA       GLU  52  22.583  13.362  16.030
  399    HB2  GLU  52           HB2      GLU  52  23.738  11.390  14.025
  400    HB3  GLU  52           HB3      GLU  52  24.216  13.085  14.139
  401    HG2  GLU  52           HG2      GLU  52  24.823  12.565  16.604
  402    HG3  GLU  52           HG3      GLU  52  24.780  10.869  16.112
  403    H    VAL  53           H        VAL  53  20.684  11.500  13.725
  404    HA   VAL  53           HA       VAL  53  20.275  13.911  12.040
  405    HB   VAL  53           HB       VAL  53  20.005  12.283  10.180
  406   HG11  VAL  53          HG11      VAL  53  22.767  12.335  11.459
  407   HG12  VAL  53          HG12      VAL  53  22.402  12.057   9.740
  408   HG13  VAL  53          HG13      VAL  53  22.048  13.627  10.470
  409   HG21  VAL  53          HG21      VAL  53  21.436  10.266  11.942
  410   HG22  VAL  53          HG22      VAL  53  19.722  10.163  11.443
  411   HG23  VAL  53          HG23      VAL  53  21.002  10.081  10.231
  412    H    GLY  54           H        GLY  54  18.799  12.486  14.442
  413    HA2  GLY  54           HA2      GLY  54  16.625  12.538  15.122
  414    HA3  GLY  54           HA3      GLY  54  16.226  13.422  13.643
  415    H    ILE  55           H        ILE  55  17.601  10.111  13.927
  416    HA   ILE  55           HA       ILE  55  15.097   8.965  12.866
  417    HB   ILE  55           HB       ILE  55  17.882   8.225  11.914
  418   HG12  ILE  55          HG12      ILE  55  15.520   9.694  10.682
  419   HG13  ILE  55          HG13      ILE  55  17.165  10.292  10.942
  420   HG21  ILE  55          HG21      ILE  55  15.162   7.030  11.180
  421   HG22  ILE  55          HG22      ILE  55  16.728   6.614  10.453
  422   HG23  ILE  55          HG23      ILE  55  16.436   6.203  12.113
  423   HD11  ILE  55          HD11      ILE  55  16.975   9.798   8.645
  424   HD12  ILE  55          HD12      ILE  55  17.958   8.493   9.354
  425   HD13  ILE  55          HD13      ILE  55  16.228   8.219   8.982
  426    H    ASP  56           H        ASP  56  14.761   6.744  13.610
  427    HA   ASP  56           HA       ASP  56  16.219   5.982  16.113
  428    HB2  ASP  56           HB2      ASP  56  14.105   7.099  16.720
  429    HB3  ASP  56           HB3      ASP  56  13.209   6.049  15.625
  430    H    ILE  57           H        ILE  57  16.908   3.855  15.912
  431    HA   ILE  57           HA       ILE  57  15.368   2.036  14.163
  432    HB   ILE  57           HB       ILE  57  17.346   1.181  13.126
  433   HG12  ILE  57          HG12      ILE  57  18.976   3.397  14.457
  434   HG13  ILE  57          HG13      ILE  57  19.042   1.681  14.887
  435   HG21  ILE  57          HG21      ILE  57  16.087   3.249  12.191
  436   HG22  ILE  57          HG22      ILE  57  17.500   4.186  12.701
  437   HG23  ILE  57          HG23      ILE  57  17.656   2.865  11.504
  438   HD11  ILE  57          HD11      ILE  57  20.900   2.298  13.435
  439   HD12  ILE  57          HD12      ILE  57  19.844   1.137  12.601
  440   HD13  ILE  57          HD13      ILE  57  19.796   2.867  12.173
  441    H    SER  58           H        SER  58  16.006   2.531  17.234
  442    HA   SER  58           HA       SER  58  17.142   0.044  18.046
  443    HB2  SER  58           HB2      SER  58  15.589   1.326  20.105
  444    HB3  SER  58           HB3      SER  58  17.349   1.188  19.916
  445    HG   SER  58           HG       SER  58  16.420   3.401  20.019
  446    H    GLY  59           H        GLY  59  13.831   1.240  17.512
  447    HA2  GLY  59           HA2      GLY  59  12.551  -1.020  18.812
  448    HA3  GLY  59           HA3      GLY  59  11.783   0.233  17.828
  449    H    GLN  60           H        GLN  60  14.365  -1.080  16.062
  450    HA   GLN  60           HA       GLN  60  12.531  -2.390  14.254
  451    HB2  GLN  60           HB2      GLN  60  15.488  -1.682  14.121
  452    HB3  GLN  60           HB3      GLN  60  14.686  -2.640  12.865
  453    HG2  GLN  60           HG2      GLN  60  12.942  -0.882  12.645
  454    HG3  GLN  60           HG3      GLN  60  13.785   0.097  13.872
  455   HE21  GLN  60          HE22      GLN  60  15.437  -1.666  11.140
  456   HE22  GLN  60          HE21      GLN  60  16.094  -0.170  10.506
  457    H    THR  61           H        THR  61  13.920  -4.389  13.120
  458    HA   THR  61           HA       THR  61  12.866  -6.504  14.555
  459    HB   THR  61           HB       THR  61  14.080  -7.689  12.494
  460    HG1  THR  61           HG1      THR  61  14.324  -6.127  10.847
  461   HG21  THR  61          HG21      THR  61  11.805  -5.660  12.218
  462   HG22  THR  61          HG22      THR  61  12.173  -6.978  11.082
  463   HG23  THR  61          HG23      THR  61  11.628  -7.356  12.718
  464    H    SER  62           H        SER  62  13.913  -8.642  14.703
  465    HA   SER  62           HA       SER  62  16.481  -8.555  16.216
  466    HB2  SER  62           HB2      SER  62  13.812  -9.730  17.101
  467    HB3  SER  62           HB3      SER  62  15.309  -9.703  18.038
  468    HG   SER  62           HG       SER  62  13.774  -8.021  18.598
  469    H    ASP  63           H        ASP  63  15.582  -9.855  13.448
  470    HA   ASP  63           HA       ASP  63  16.087 -12.697  14.220
  471    HB2  ASP  63           HB2      ASP  63  13.790 -11.530  12.622
  472    HB3  ASP  63           HB3      ASP  63  14.253 -13.221  12.531
  473    HA   PRO  64           HA       PRO  64  18.453 -12.946  10.442
  474    HB2  PRO  64           HB2      PRO  64  18.415 -15.629   9.931
  475    HB3  PRO  64           HB3      PRO  64  19.233 -14.940  11.368
  476    HG2  PRO  64           HG2      PRO  64  16.435 -16.124  11.199
  477    HG3  PRO  64           HG3      PRO  64  17.729 -16.521  12.377
  478    HD2  PRO  64           HD2      PRO  64  15.766 -14.747  12.956
  479    HD3  PRO  64           HD3      PRO  64  17.438 -14.494  13.526
  480    H    ILE  65           H        ILE  65  18.341 -13.712   8.153
  481    HA   ILE  65           HA       ILE  65  15.989 -12.795   6.877
  482    HB   ILE  65           HB       ILE  65  18.296 -12.670   5.960
  483   HG12  ILE  65          HG12      ILE  65  16.209 -14.004   4.180
  484   HG13  ILE  65          HG13      ILE  65  16.518 -12.288   4.442
  485   HG21  ILE  65          HG21      ILE  65  19.032 -15.022   6.635
  486   HG22  ILE  65          HG22      ILE  65  18.108 -15.627   5.245
  487   HG23  ILE  65          HG23      ILE  65  19.480 -14.527   5.011
  488   HD11  ILE  65          HD11      ILE  65  18.201 -14.301   2.915
  489   HD12  ILE  65          HD12      ILE  65  17.398 -12.841   2.308
  490   HD13  ILE  65          HD13      ILE  65  18.823 -12.707   3.367
  491    H    GLU  66           H        GLU  66  17.021 -16.057   7.713
  492    HA   GLU  66           HA       GLU  66  15.356 -17.351   5.842
  493    HB2  GLU  66           HB2      GLU  66  16.833 -18.163   8.363
  494    HB3  GLU  66           HB3      GLU  66  15.819 -19.352   7.511
  495    HG2  GLU  66           HG2      GLU  66  17.125 -18.915   5.422
  496    HG3  GLU  66           HG3      GLU  66  18.170 -17.820   6.327
  497    H    ASN  67           H        ASN  67  14.494 -15.982   8.930
  498    HA   ASN  67           HA       ASN  67  12.035 -17.501   9.056
  499    HB2  ASN  67           HB2      ASN  67  11.783 -16.769  11.124
  500    HB3  ASN  67           HB3      ASN  67  13.449 -16.229  11.018
  501   HD21  ASN  67          HD22      ASN  67  13.759 -13.888  10.185
  502   HD22  ASN  67          HD21      ASN  67  12.495 -12.738  10.547
  503    H    PHE  68           H        PHE  68  13.091 -14.832   7.146
  504    HA   PHE  68           HA       PHE  68  10.436 -13.567   7.077
  505    HB2  PHE  68           HB2      PHE  68  13.126 -12.705   5.972
  506    HB3  PHE  68           HB3      PHE  68  11.631 -11.907   5.546
  507    HD1  PHE  68           HD1      PHE  68  10.249 -10.701   7.253
  508    HD2  PHE  68           HD2      PHE  68  14.114 -12.350   8.175
  509    HE1  PHE  68           HE1      PHE  68  10.366  -9.291   9.289
  510    HE2  PHE  68           HE2      PHE  68  14.232 -10.939  10.225
  511    HZ   PHE  68           HZ       PHE  68  12.348  -9.413  10.786
  512    H    ASN  69           H        ASN  69   9.806 -12.857   4.761
  513    HA   ASN  69           HA       ASN  69  10.169 -14.933   2.704
  514    HB2  ASN  69           HB2      ASN  69   7.613 -15.110   2.546
  515    HB3  ASN  69           HB3      ASN  69   8.471 -16.072   3.730
  516   HD21  ASN  69          HD22      ASN  69   6.993 -12.752   3.636
  517   HD22  ASN  69          HD21      ASN  69   6.160 -12.931   5.181
  518    H    ALA  70           H        ALA  70  11.139 -13.344   1.437
  519    HA   ALA  70           HA       ALA  70  10.286 -10.752   0.987
  520    HB1  ALA  70           HB1      ALA  70  11.346 -11.050  -1.269
  521    HB2  ALA  70           HB2      ALA  70  12.349 -11.514   0.111
  522    HB3  ALA  70           HB3      ALA  70  11.567 -12.769  -0.898
  523    H    ASP  71           H        ASP  71   8.899 -13.747  -0.243
  524    HA   ASP  71           HA       ASP  71   7.423 -12.920  -2.478
  525    HB2  ASP  71           HB2      ASP  71   7.469 -15.263  -1.726
  526    HB3  ASP  71           HB3      ASP  71   6.602 -14.826  -0.253
  527    H    ASP  72           H        ASP  72   6.805 -12.281   0.955
  528    HA   ASP  72           HA       ASP  72   4.078 -11.319   0.527
  529    HB2  ASP  72           HB2      ASP  72   4.817 -12.258   2.678
  530    HB3  ASP  72           HB3      ASP  72   5.954 -10.916   2.877
  531    H    TYR  73           H        TYR  73   7.188  -9.881   0.082
  532    HA   TYR  73           HA       TYR  73   6.262  -7.141   0.465
  533    HB2  TYR  73           HB2      TYR  73   9.117  -8.186   0.191
  534    HB3  TYR  73           HB3      TYR  73   8.666  -6.529   0.549
  535    HD1  TYR  73           HD1      TYR  73   8.307 -10.001   1.933
  536    HD2  TYR  73           HD2      TYR  73   8.685  -5.802   2.814
  537    HE1  TYR  73           HE1      TYR  73   8.235 -10.531   4.312
  538    HE2  TYR  73           HE2      TYR  73   8.562  -6.309   5.230
  539    HH   TYR  73           HH       TYR  73   8.107  -9.633   6.516
  540    H    ASP  74           H        ASP  74   7.682  -5.597  -1.228
  541    HA   ASP  74           HA       ASP  74   7.426  -6.878  -3.935
  542    HB2  ASP  74           HB2      ASP  74   7.100  -3.953  -3.164
  543    HB3  ASP  74           HB3      ASP  74   6.810  -4.668  -4.747
  544    H    VAL  75           H        VAL  75   9.657  -5.173  -1.776
  545    HA   VAL  75           HA       VAL  75  11.603  -4.888  -4.020
  546    HB   VAL  75           HB       VAL  75  10.451  -2.889  -2.204
  547   HG11  VAL  75          HG11      VAL  75  12.550  -1.715  -3.900
  548   HG12  VAL  75          HG12      VAL  75  11.983  -1.308  -2.321
  549   HG13  VAL  75          HG13      VAL  75  13.120  -2.667  -2.512
  550   HG21  VAL  75          HG21      VAL  75  10.072  -1.495  -4.178
  551   HG22  VAL  75          HG22      VAL  75  10.631  -2.846  -5.188
  552   HG23  VAL  75          HG23      VAL  75   9.179  -2.999  -4.194
  553    H    VAL  76           H        VAL  76  13.642  -5.739  -3.322
  554    HA   VAL  76           HA       VAL  76  14.097  -5.765  -0.389
  555    HB   VAL  76           HB       VAL  76  14.991  -7.988  -0.562
  556   HG11  VAL  76          HG11      VAL  76  12.131  -7.951  -1.619
  557   HG12  VAL  76          HG12      VAL  76  12.897  -9.243  -0.679
  558   HG13  VAL  76          HG13      VAL  76  12.584  -7.671   0.061
  559   HG21  VAL  76          HG21      VAL  76  14.092  -7.998  -3.459
  560   HG22  VAL  76          HG22      VAL  76  15.715  -8.271  -2.810
  561   HG23  VAL  76          HG23      VAL  76  14.447  -9.462  -2.532
  562    H    ILE  77           H        ILE  77  16.043  -5.210   0.207
  563    HA   ILE  77           HA       ILE  77  18.094  -4.629  -1.867
  564    HB   ILE  77           HB       ILE  77  17.288  -2.998   0.569
  565   HG12  ILE  77          HG12      ILE  77  15.486  -2.764  -1.020
  566   HG13  ILE  77          HG13      ILE  77  16.418  -1.298  -0.904
  567   HG21  ILE  77          HG21      ILE  77  19.687  -2.849  -0.040
  568   HG22  ILE  77          HG22      ILE  77  19.241  -2.398  -1.694
  569   HG23  ILE  77          HG23      ILE  77  18.820  -1.347  -0.318
  570   HD11  ILE  77          HD11      ILE  77  17.432  -1.660  -3.084
  571   HD12  ILE  77          HD12      ILE  77  16.831  -3.314  -3.152
  572   HD13  ILE  77          HD13      ILE  77  15.684  -1.987  -3.251
  573    H    SER  78           H        SER  78  19.536  -6.317  -1.407
  574    HA   SER  78           HA       SER  78  20.016  -6.882   1.445
  575    HB2  SER  78           HB2      SER  78  21.431  -8.701   0.604
  576    HB3  SER  78           HB3      SER  78  19.735  -8.754   0.033
  577    HG   SER  78           HG       SER  78  22.083  -8.074  -1.340
  578    H    LEU  79           H        LEU  79  22.237  -6.775   2.313
  579    HA   LEU  79           HA       LEU  79  24.116  -5.083   0.843
  580    HB2  LEU  79           HB2      LEU  79  23.063  -4.316   3.601
  581    HB3  LEU  79           HB3      LEU  79  24.683  -3.911   3.046
  582    HG   LEU  79           HG       LEU  79  23.327  -2.953   0.935
  583   HD11  LEU  79          HD11      LEU  79  21.294  -1.887   1.423
  584   HD12  LEU  79          HD12      LEU  79  21.066  -3.539   2.034
  585   HD13  LEU  79          HD13      LEU  79  21.407  -2.193   3.154
  586   HD21  LEU  79          HD21      LEU  79  24.930  -1.745   2.413
  587   HD22  LEU  79          HD22      LEU  79  23.543  -0.731   1.950
  588   HD23  LEU  79          HD23      LEU  79  23.626  -1.450   3.576
  589    H    CYS  80           H        CYS  80  24.100  -7.539   0.675
  590    HA   CYS  80           HA       CYS  80  25.696  -8.829   2.842
  591    HB2  CYS  80           HB2      CYS  80  23.979 -10.085   0.619
  592    HB3  CYS  80           HB3      CYS  80  24.793 -10.931   1.932
  593    HG   CYS  80           HG       CYS  80  23.501  -9.903   3.908
  594    H    GLY  81           H        GLY  81  26.484  -6.940   0.479
  595    HA2  GLY  81           HA2      GLY  81  28.308  -6.791  -0.889
  596    HA3  GLY  81           HA3      GLY  81  28.892  -8.331  -0.248
  597    H    CYS  82           H        CYS  82  25.725  -8.169  -1.674
  598    HA   CYS  82           HA       CYS  82  24.691  -9.251  -3.265
  599    HB2  CYS  82           HB2      CYS  82  25.089  -8.518  -5.447
  600    HB3  CYS  82           HB3      CYS  82  25.647  -7.227  -4.373
  601    HG   CYS  82           HG       CYS  82  28.219  -8.198  -4.421
  602    H    GLY  83           H        GLY  83  27.701 -10.675  -2.569
  603    HA2  GLY  83           HA2      GLY  83  27.745 -12.794  -4.448
  604    HA3  GLY  83           HA3      GLY  83  28.460 -12.800  -2.823
  605    H    VAL  84           H        VAL  84  25.826 -12.305  -1.506
  606    HA   VAL  84           HA       VAL  84  24.967 -15.019  -1.196
  607    HB   VAL  84           HB       VAL  84  23.516 -12.536  -0.249
  608   HG11  VAL  84          HG11      VAL  84  22.492 -14.101   1.350
  609   HG12  VAL  84          HG12      VAL  84  22.183 -14.706  -0.284
  610   HG13  VAL  84          HG13      VAL  84  23.451 -15.450   0.696
  611   HG21  VAL  84          HG21      VAL  84  24.693 -13.124   1.923
  612   HG22  VAL  84          HG22      VAL  84  25.707 -14.253   1.016
  613   HG23  VAL  84          HG23      VAL  84  25.776 -12.510   0.656
  614    H    ASN  85           H        ASN  85  23.921 -16.114  -2.595
  615    HA   ASN  85           HA       ASN  85  22.124 -14.963  -4.637
  616    HB2  ASN  85           HB2      ASN  85  23.336 -16.868  -5.399
  617    HB3  ASN  85           HB3      ASN  85  23.113 -17.739  -3.882
  618   HD21  ASN  85          HD22      ASN  85  21.081 -18.672  -3.388
  619   HD22  ASN  85          HD21      ASN  85  19.943 -19.094  -4.664
  620    H    LEU  86           H        LEU  86  20.251 -14.151  -3.687
  621    HA   LEU  86           HA       LEU  86  19.264 -15.199  -1.157
  622    HB2  LEU  86           HB2      LEU  86  17.873 -13.344  -3.136
  623    HB3  LEU  86           HB3      LEU  86  17.416 -13.633  -1.460
  624    HG   LEU  86           HG       LEU  86  19.916 -12.186  -2.417
  625   HD11  LEU  86          HD11      LEU  86  17.520 -11.156  -0.854
  626   HD12  LEU  86          HD12      LEU  86  18.882 -10.210  -1.493
  627   HD13  LEU  86          HD13      LEU  86  17.737 -10.966  -2.608
  628   HD21  LEU  86          HD21      LEU  86  20.403 -13.395  -0.310
  629   HD22  LEU  86          HD22      LEU  86  20.349 -11.652  -0.048
  630   HD23  LEU  86          HD23      LEU  86  18.972 -12.670   0.447
  631    HA   PRO  87           HA       PRO  87  16.573 -18.395  -2.856
  632    HB2  PRO  87           HB2      PRO  87  14.328 -17.264  -1.220
  633    HB3  PRO  87           HB3      PRO  87  14.909 -18.945  -1.314
  634    HG2  PRO  87           HG2      PRO  87  15.528 -17.355   0.829
  635    HG3  PRO  87           HG3      PRO  87  16.710 -18.516   0.156
  636    HD2  PRO  87           HD2      PRO  87  16.601 -15.529  -0.227
  637    HD3  PRO  87           HD3      PRO  87  18.007 -16.614  -0.046
  638    HA   PRO  88           HA       PRO  88  14.684 -16.559  -6.162
  639    HB2  PRO  88           HB2      PRO  88  12.501 -18.130  -6.952
  640    HB3  PRO  88           HB3      PRO  88  14.229 -18.515  -7.214
  641    HG2  PRO  88           HG2      PRO  88  12.418 -19.439  -4.969
  642    HG3  PRO  88           HG3      PRO  88  13.573 -20.408  -5.940
  643    HD2  PRO  88           HD2      PRO  88  14.221 -19.505  -3.469
  644    HD3  PRO  88           HD3      PRO  88  15.435 -19.502  -4.783
  645    H    GLU  89           H        GLU  89  12.334 -16.805  -3.503
  646    HA   GLU  89           HA       GLU  89  10.342 -15.174  -4.744
  647    HB2  GLU  89           HB2      GLU  89   9.550 -14.868  -2.428
  648    HB3  GLU  89           HB3      GLU  89   9.710 -16.558  -2.924
  649    HG2  GLU  89           HG2      GLU  89  11.830 -16.721  -1.637
  650    HG3  GLU  89           HG3      GLU  89  11.657 -15.035  -1.148
  651    H    TRP  90           H        TRP  90  13.383 -14.520  -3.219
  652    HA   TRP  90           HA       TRP  90  12.962 -11.701  -2.770
  653    HB2  TRP  90           HB2      TRP  90  15.482 -13.375  -2.930
  654    HB3  TRP  90           HB3      TRP  90  15.432 -11.691  -2.486
  655    HD1  TRP  90           HD1      TRP  90  14.144 -15.075  -1.112
  656    HE1  TRP  90           HE1      TRP  90  13.928 -14.921   1.444
  657    HE3  TRP  90           HE3      TRP  90  15.377 -10.203  -0.523
  658    HZ2  TRP  90           HZ2      TRP  90  14.054 -12.851   3.455
  659    HZ3  TRP  90           HZ3      TRP  90  15.354  -9.116   1.693
  660    HH2  TRP  90           HH2      TRP  90  14.648 -10.444   3.706
  661    H    VAL  91           H        VAL  91  13.238 -13.516  -5.665
  662    HA   VAL  91           HA       VAL  91  14.695 -11.391  -7.064
  663    HB   VAL  91           HB       VAL  91  14.033 -14.142  -7.908
  664   HG11  VAL  91          HG11      VAL  91  14.379 -12.761  -9.859
  665   HG12  VAL  91          HG12      VAL  91  15.899 -12.125  -9.190
  666   HG13  VAL  91          HG13      VAL  91  15.758 -13.837  -9.664
  667   HG21  VAL  91          HG21      VAL  91  16.662 -13.051  -6.819
  668   HG22  VAL  91          HG22      VAL  91  15.622 -14.258  -6.030
  669   HG23  VAL  91          HG23      VAL  91  16.452 -14.667  -7.526
  670    H    THR  92           H        THR  92  11.525 -12.987  -6.842
  671    HA   THR  92           HA       THR  92  10.531 -12.035  -9.348
  672    HB   THR  92           HB       THR  92   8.354 -12.908  -8.314
  673    HG1  THR  92           HG1      THR  92   8.478 -13.810  -6.306
  674   HG21  THR  92          HG21      THR  92   9.158 -15.260  -8.358
  675   HG22  THR  92          HG22      THR  92   9.919 -14.316  -9.654
  676   HG23  THR  92          HG23      THR  92  10.840 -14.699  -8.194
  677    H    GLN  93           H        GLN  93  10.963 -10.511  -6.389
  678    HA   GLN  93           HA       GLN  93   9.175  -8.530  -5.951
  679    HB2  GLN  93           HB2      GLN  93  12.222  -8.551  -6.027
  680    HB3  GLN  93           HB3      GLN  93  11.230  -7.433  -5.064
  681    HG2  GLN  93           HG2      GLN  93  11.515 -10.429  -4.648
  682    HG3  GLN  93           HG3      GLN  93  12.185  -9.154  -3.664
  683   HE21  GLN  93          HE22      GLN  93   9.627 -11.264  -3.946
  684   HE22  GLN  93          HE21      GLN  93   8.589 -10.459  -2.768
  685    H    GLU  94           H        GLU  94   9.237  -6.254  -6.510
  686    HA   GLU  94           HA       GLU  94   9.481  -5.581  -9.277
  687    HB2  GLU  94           HB2      GLU  94   7.714  -4.487  -8.260
  688    HB3  GLU  94           HB3      GLU  94   8.541  -4.335  -6.709
  689    HG2  GLU  94           HG2      GLU  94   9.846  -2.569  -7.357
  690    HG3  GLU  94           HG3      GLU  94   9.424  -2.722  -9.076
  691    H    ILE  95           H        ILE  95  11.283  -5.122  -6.216
  692    HA   ILE  95           HA       ILE  95  13.651  -4.386  -7.892
  693    HB   ILE  95           HB       ILE  95  12.926  -3.271  -5.192
  694   HG12  ILE  95          HG12      ILE  95  11.947  -2.030  -7.049
  695   HG13  ILE  95          HG13      ILE  95  13.128  -1.102  -6.104
  696   HG21  ILE  95          HG21      ILE  95  15.575  -3.152  -6.670
  697   HG22  ILE  95          HG22      ILE  95  15.146  -1.992  -5.412
  698   HG23  ILE  95          HG23      ILE  95  15.275  -3.711  -5.011
  699   HD11  ILE  95          HD11      ILE  95  13.233  -0.630  -8.533
  700   HD12  ILE  95          HD12      ILE  95  14.758  -1.288  -7.928
  701   HD13  ILE  95          HD13      ILE  95  13.637  -2.324  -8.854
  702    H    PHE  96           H        PHE  96  15.365  -5.610  -7.536
  703    HA   PHE  96           HA       PHE  96  15.824  -6.868  -4.936
  704    HB2  PHE  96           HB2      PHE  96  15.079  -8.839  -6.075
  705    HB3  PHE  96           HB3      PHE  96  15.997  -8.437  -7.520
  706    HD1  PHE  96           HD1      PHE  96  17.559  -7.953  -4.085
  707    HD2  PHE  96           HD2      PHE  96  17.228 -10.539  -7.552
  708    HE1  PHE  96           HE1      PHE  96  19.689  -8.997  -3.505
  709    HE2  PHE  96           HE2      PHE  96  19.316 -11.683  -6.853
  710    HZ   PHE  96           HZ       PHE  96  20.563 -10.900  -4.853
  711    H    GLU  97           H        GLU  97  17.440  -5.579  -4.465
  712    HA   GLU  97           HA       GLU  97  19.666  -5.227  -6.387
  713    HB2  GLU  97           HB2      GLU  97  18.224  -3.063  -4.820
  714    HB3  GLU  97           HB3      GLU  97  19.940  -2.917  -5.186
  715    HG2  GLU  97           HG2      GLU  97  19.481  -3.070  -7.578
  716    HG3  GLU  97           HG3      GLU  97  17.754  -3.281  -7.256
  717    H    ASP  98           H        ASP  98  21.546  -4.466  -5.066
  718    HA   ASP  98           HA       ASP  98  21.518  -5.159  -2.307
  719    HB2  ASP  98           HB2      ASP  98  22.210  -7.341  -3.215
  720    HB3  ASP  98           HB3      ASP  98  23.448  -6.562  -4.195
  721    H    TRP  99           H        TRP  99  22.920  -3.655  -1.314
  722    HA   TRP  99           HA       TRP  99  24.204  -1.757  -3.227
  723    HB2  TRP  99           HB2      TRP  99  22.988  -1.305  -0.472
  724    HB3  TRP  99           HB3      TRP  99  23.838  -0.071  -1.394
  725    HD1  TRP  99           HD1      TRP  99  22.300  -1.413  -4.164
  726    HE1  TRP  99           HE1      TRP  99  20.006  -0.458  -4.720
  727    HE3  TRP  99           HE3      TRP  99  21.192   0.629   0.407
  728    HZ2  TRP  99           HZ2      TRP  99  17.839   0.797  -3.274
  729    HZ3  TRP  99           HZ3      TRP  99  18.950   1.680   0.779
  730    HH2  TRP  99           HH2      TRP  99  17.282   1.703  -1.030
  731    H    GLN 100           H        GLN 100  25.249  -4.118  -1.755
  732    HA   GLN 100           HA       GLN 100  26.953  -4.940  -0.552
  733    HB2  GLN 100           HB2      GLN 100  28.542  -2.930  -2.219
  734    HB3  GLN 100           HB3      GLN 100  29.206  -4.294  -1.335
  735    HG2  GLN 100           HG2      GLN 100  29.114  -5.073  -3.513
  736    HG3  GLN 100           HG3      GLN 100  27.676  -5.788  -2.791
  737   HE21  GLN 100          HE22      GLN 100  25.670  -5.238  -3.609
  738   HE22  GLN 100          HE21      GLN 100  25.396  -4.134  -4.936
  739    H    LEU 101           H        LEU 101  27.878  -1.594  -0.808
  740    HA   LEU 101           HA       LEU 101  28.919  -0.068   0.345
  741    HB2  LEU 101           HB2      LEU 101  26.269  -0.490   1.167
  742    HB3  LEU 101           HB3      LEU 101  27.114  -0.120   2.650
  743    HG   LEU 101           HG       LEU 101  26.139   1.866   1.661
  744   HD11  LEU 101          HD11      LEU 101  29.175   1.972   1.269
  745   HD12  LEU 101          HD12      LEU 101  28.108   3.349   1.402
  746   HD13  LEU 101          HD13      LEU 101  28.276   2.287   2.793
  747   HD21  LEU 101          HD21      LEU 101  26.783   2.792  -0.514
  748   HD22  LEU 101          HD22      LEU 101  27.744   1.345  -0.873
  749   HD23  LEU 101          HD23      LEU 101  25.986   1.222  -0.664
  750    H    GLU 102           H        GLU 102  29.272   0.695   2.908
  751    HA   GLU 102           HA       GLU 102  31.790  -0.461   3.440
  752    HB2  GLU 102           HB2      GLU 102  30.003   1.557   4.818
  753    HB3  GLU 102           HB3      GLU 102  31.543   1.102   5.548
  754    HG2  GLU 102           HG2      GLU 102  32.788   1.871   3.654
  755    HG3  GLU 102           HG3      GLU 102  31.346   2.051   2.659
  756    H    ASP 103           H        ASP 103  32.304  -1.027   5.830
  757    HA   ASP 103           HA       ASP 103  30.550  -3.294   6.643
  758    HB2  ASP 103           HB2      ASP 103  32.385  -3.842   5.013
  759    HB3  ASP 103           HB3      ASP 103  33.554  -3.391   6.251
  760    HA   PRO 104           HA       PRO 104  31.743  -0.654  10.173
  761    HB2  PRO 104           HB2      PRO 104  29.293  -0.114  11.273
  762    HB3  PRO 104           HB3      PRO 104  29.900   0.698   9.803
  763    HG2  PRO 104           HG2      PRO 104  28.118  -1.733   9.901
  764    HG3  PRO 104           HG3      PRO 104  27.855  -0.166   9.037
  765    HD2  PRO 104           HD2      PRO 104  28.930  -2.383   7.840
  766    HD3  PRO 104           HD3      PRO 104  29.517  -0.735   7.447
  767    H    ASP 105           H        ASP 105  32.643  -2.950  10.601
  768    HA   ASP 105           HA       ASP 105  31.320  -4.815  12.311
  769    HB2  ASP 105           HB2      ASP 105  33.444  -5.187  10.961
  770    HB3  ASP 105           HB3      ASP 105  34.304  -4.229  12.153
  771    H    GLY 106           H        GLY 106  33.068  -1.895  12.987
  772    HA2  GLY 106           HA2      GLY 106  32.240  -1.097  15.418
  773    HA3  GLY 106           HA3      GLY 106  33.405  -2.358  15.880
  774    H    GLN 107           H        GLN 107  32.960   0.780  14.407
  775    HA   GLN 107           HA       GLN 107  35.897   1.233  14.130
  776    HB2  GLN 107           HB2      GLN 107  34.015   2.868  12.496
  777    HB3  GLN 107           HB3      GLN 107  35.583   2.178  12.093
  778    HG2  GLN 107           HG2      GLN 107  34.129   1.195  10.659
  779    HG3  GLN 107           HG3      GLN 107  34.285  -0.047  11.918
  780   HE21  GLN 107          HE22      GLN 107  32.063   2.419  10.485
  781   HE22  GLN 107          HE21      GLN 107  30.697   1.994  11.507
  782    H    SER 108           H        SER 108  35.743   3.785  13.379
  783    HA   SER 108           HA       SER 108  35.359   5.330  15.827
  784    HB2  SER 108           HB2      SER 108  36.155   7.193  14.192
  785    HB3  SER 108           HB3      SER 108  37.308   5.921  14.640
  786    HG   SER 108           HG       SER 108  37.355   6.257  12.398
  787    H    LEU 109           H        LEU 109  33.899   7.238  15.774
  788    HA   LEU 109           HA       LEU 109  31.302   6.601  14.810
  789    HB2  LEU 109           HB2      LEU 109  32.423   9.313  15.636
  790    HB3  LEU 109           HB3      LEU 109  30.724   8.932  15.401
  791    HG   LEU 109           HG       LEU 109  32.565   7.902  17.580
  792   HD11  LEU 109          HD11      LEU 109  31.586  10.146  17.891
  793   HD12  LEU 109          HD12      LEU 109  29.956   9.478  17.698
  794   HD13  LEU 109          HD13      LEU 109  30.959   8.989  19.079
  795   HD21  LEU 109          HD21      LEU 109  29.776   6.885  16.899
  796   HD22  LEU 109          HD22      LEU 109  31.278   5.957  17.031
  797   HD23  LEU 109          HD23      LEU 109  30.557   6.661  18.478
  798    H    GLU 110           H        GLU 110  33.921   8.422  13.303
  799    HA   GLU 110           HA       GLU 110  32.445   9.806  11.330
  800    HB2  GLU 110           HB2      GLU 110  35.265   8.627  11.239
  801    HB3  GLU 110           HB3      GLU 110  34.592   9.705   9.998
  802    HG2  GLU 110           HG2      GLU 110  34.117  11.394  11.728
  803    HG3  GLU 110           HG3      GLU 110  34.893  10.363  12.941
  804    H    VAL 111           H        VAL 111  33.601   6.408  11.358
  805    HA   VAL 111           HA       VAL 111  32.776   6.093   8.595
  806    HB   VAL 111           HB       VAL 111  33.479   3.970  10.656
  807   HG11  VAL 111          HG11      VAL 111  32.258   3.020   8.681
  808   HG12  VAL 111          HG12      VAL 111  33.417   3.809   7.605
  809   HG13  VAL 111          HG13      VAL 111  33.948   2.510   8.684
  810   HG21  VAL 111          HG21      VAL 111  35.717   3.911   9.573
  811   HG22  VAL 111          HG22      VAL 111  35.254   5.294   8.558
  812   HG23  VAL 111          HG23      VAL 111  35.401   5.477  10.316
  813    H    PHE 112           H        PHE 112  31.260   5.260  11.793
  814    HA   PHE 112           HA       PHE 112  28.874   4.184  10.682
  815    HB2  PHE 112           HB2      PHE 112  29.360   5.853  13.185
  816    HB3  PHE 112           HB3      PHE 112  27.762   5.326  12.680
  817    HD1  PHE 112           HD1      PHE 112  27.195   2.907  12.432
  818    HD2  PHE 112           HD2      PHE 112  30.866   4.266  14.268
  819    HE1  PHE 112           HE1      PHE 112  27.539   0.659  13.442
  820    HE2  PHE 112           HE2      PHE 112  31.155   2.045  15.324
  821    HZ   PHE 112           HZ       PHE 112  29.513   0.232  14.888
  822    H    ARG 113           H        ARG 113  29.692   7.684  11.264
  823    HA   ARG 113           HA       ARG 113  27.282   8.776  10.212
  824    HB2  ARG 113           HB2      ARG 113  30.125   9.906  10.038
  825    HB3  ARG 113           HB3      ARG 113  28.664  10.791   9.650
  826    HG2  ARG 113           HG2      ARG 113  27.866  10.489  12.006
  827    HG3  ARG 113           HG3      ARG 113  29.394   9.708  12.408
  828    HD2  ARG 113           HD2      ARG 113  30.646  11.701  11.811
  829    HD3  ARG 113           HD3      ARG 113  29.161  12.532  11.304
  830    HE   ARG 113           HE       ARG 113  28.400  12.026  13.747
  831   HH11  ARG 113          HH11      ARG 113  31.641  13.197  12.746
  832   HH12  ARG 113          HH12      ARG 113  31.986  13.913  14.277
  833   HH21  ARG 113          HH21      ARG 113  28.855  12.968  15.703
  834   HH22  ARG 113          HH22      ARG 113  30.365  13.799  16.021
  835    H    THR 114           H        THR 114  30.330   7.875   8.550
  836    HA   THR 114           HA       THR 114  29.499   8.940   6.063
  837    HB   THR 114           HB       THR 114  31.559   6.765   6.667
  838    HG1  THR 114           HG1      THR 114  32.083   8.664   7.731
  839   HG21  THR 114          HG21      THR 114  32.614   7.484   4.545
  840   HG22  THR 114          HG22      THR 114  30.998   6.816   4.283
  841   HG23  THR 114          HG23      THR 114  31.235   8.573   4.229
  842    H    VAL 115           H        VAL 115  29.263   5.649   7.493
  843    HA   VAL 115           HA       VAL 115  28.442   4.381   5.068
  844    HB   VAL 115           HB       VAL 115  27.720   3.560   7.931
  845   HG11  VAL 115          HG11      VAL 115  27.573   1.257   7.016
  846   HG12  VAL 115          HG12      VAL 115  26.367   2.334   6.322
  847   HG13  VAL 115          HG13      VAL 115  27.803   1.911   5.374
  848   HG21  VAL 115          HG21      VAL 115  29.805   3.022   8.367
  849   HG22  VAL 115          HG22      VAL 115  29.822   1.875   7.052
  850   HG23  VAL 115          HG23      VAL 115  30.362   3.555   6.769
  851    H    ARG 116           H        ARG 116  26.563   5.444   7.876
  852    HA   ARG 116           HA       ARG 116  23.936   5.418   7.062
  853    HB2  ARG 116           HB2      ARG 116  24.743   6.111   9.215
  854    HB3  ARG 116           HB3      ARG 116  25.660   7.430   8.524
  855    HG2  ARG 116           HG2      ARG 116  23.432   8.548   7.933
  856    HG3  ARG 116           HG3      ARG 116  22.684   7.287   8.946
  857    HD2  ARG 116           HD2      ARG 116  23.112   8.809  10.592
  858    HD3  ARG 116           HD3      ARG 116  24.714   7.987  10.574
  859    HE   ARG 116           HE       ARG 116  24.733  10.137   8.695
  860   HH11  ARG 116          HH21      ARG 116  24.582   9.783  12.238
  861   HH12  ARG 116          HH22      ARG 116  25.691  11.079  12.560
  862   HH21  ARG 116          HH11      ARG 116  25.911  12.070   9.136
  863   HH22  ARG 116          HH12      ARG 116  26.240  12.523  10.766
  864    H    GLY 117           H        GLY 117  26.181   8.240   6.307
  865    HA2  GLY 117           HA2      GLY 117  24.193   9.535   4.750
  866    HA3  GLY 117           HA3      GLY 117  25.958   9.824   4.641
  867    H    GLN 118           H        GLN 118  26.823   7.269   3.656
  868    HA   GLN 118           HA       GLN 118  26.071   7.542   0.933
  869    HB2  GLN 118           HB2      GLN 118  27.450   5.242   2.361
  870    HB3  GLN 118           HB3      GLN 118  27.321   5.431   0.596
  871    HG2  GLN 118           HG2      GLN 118  28.302   7.873   1.192
  872    HG3  GLN 118           HG3      GLN 118  28.953   6.980   2.575
  873   HE21  GLN 118          HE22      GLN 118  30.443   5.107   2.147
  874   HE22  GLN 118          HE21      GLN 118  31.296   5.046   0.612
  875    H    VAL 119           H        VAL 119  24.888   5.383   3.474
  876    HA   VAL 119           HA       VAL 119  23.166   3.808   1.811
  877    HB   VAL 119           HB       VAL 119  23.105   4.561   4.756
  878   HG11  VAL 119          HG11      VAL 119  20.789   4.125   4.200
  879   HG12  VAL 119          HG12      VAL 119  21.244   2.636   3.332
  880   HG13  VAL 119          HG13      VAL 119  21.465   2.767   5.106
  881   HG21  VAL 119          HG21      VAL 119  23.610   1.873   3.365
  882   HG22  VAL 119          HG22      VAL 119  24.909   2.961   3.860
  883   HG23  VAL 119          HG23      VAL 119  23.841   2.249   5.085
  884    H    LYS 120           H        LYS 120  22.740   7.012   3.436
  885    HA   LYS 120           HA       LYS 120  20.005   7.289   2.976
  886    HB2  LYS 120           HB2      LYS 120  20.227   9.250   3.950
  887    HB3  LYS 120           HB3      LYS 120  21.877   8.780   4.205
  888    HG2  LYS 120           HG2      LYS 120  22.095  10.920   3.482
  889    HG3  LYS 120           HG3      LYS 120  22.461  10.026   2.038
  890    HD2  LYS 120           HD2      LYS 120  21.114  12.085   1.697
  891    HD3  LYS 120           HD3      LYS 120  20.387  10.657   0.980
  892    HE2  LYS 120           HE2      LYS 120  18.741  10.469   2.690
  893    HE3  LYS 120           HE3      LYS 120  19.595  11.620   3.750
  894    HZ1  LYS 120           HZ1      LYS 120  19.125  13.359   2.039
  895    HZ2  LYS 120           HZ2      LYS 120  18.168  12.300   1.220
  896    HZ3  LYS 120           HZ3      LYS 120  17.777  12.773   2.737
  897    H    GLU 121           H        GLU 121  22.702   8.098   0.792
  898    HA   GLU 121           HA       GLU 121  21.032   9.153  -1.285
  899    HB2  GLU 121           HB2      GLU 121  23.708   7.685  -1.547
  900    HB3  GLU 121           HB3      GLU 121  22.972   8.708  -2.783
  901    HG2  GLU 121           HG2      GLU 121  23.207  10.672  -1.305
  902    HG3  GLU 121           HG3      GLU 121  23.952   9.663  -0.059
  903    H    ARG 122           H        ARG 122  22.157   5.760  -0.622
  904    HA   ARG 122           HA       ARG 122  21.031   4.845  -3.167
  905    HB2  ARG 122           HB2      ARG 122  21.933   3.256  -0.718
  906    HB3  ARG 122           HB3      ARG 122  21.196   2.574  -2.174
  907    HG2  ARG 122           HG2      ARG 122  23.470   2.242  -2.516
  908    HG3  ARG 122           HG3      ARG 122  23.010   3.598  -3.563
  909    HD2  ARG 122           HD2      ARG 122  23.818   5.133  -1.761
  910    HD3  ARG 122           HD3      ARG 122  24.480   3.727  -0.897
  911    HE   ARG 122           HE       ARG 122  25.664   3.507  -3.329
  912   HH11  ARG 122          HH11      ARG 122  25.295   6.220  -1.110
  913   HH12  ARG 122          HH12      ARG 122  26.438   7.267  -1.873
  914   HH21  ARG 122          HH21      ARG 122  27.439   4.751  -4.246
  915   HH22  ARG 122          HH22      ARG 122  27.873   6.272  -3.545
  916    H    VAL 123           H        VAL 123  19.864   4.789   0.245
  917    HA   VAL 123           HA       VAL 123  17.364   3.654  -0.191
  918    HB   VAL 123           HB       VAL 123  18.258   5.869   1.649
  919   HG11  VAL 123          HG11      VAL 123  15.668   4.331   1.612
  920   HG12  VAL 123          HG12      VAL 123  16.291   5.188   3.040
  921   HG13  VAL 123          HG13      VAL 123  15.909   6.096   1.583
  922   HG21  VAL 123          HG21      VAL 123  19.329   3.563   1.983
  923   HG22  VAL 123          HG22      VAL 123  18.397   4.139   3.361
  924   HG23  VAL 123          HG23      VAL 123  17.694   2.927   2.283
  925    H    GLU 124           H        GLU 124  18.261   7.117  -0.469
  926    HA   GLU 124           HA       GLU 124  15.670   7.901  -1.244
  927    HB2  GLU 124           HB2      GLU 124  17.331   9.254  -0.225
  928    HB3  GLU 124           HB3      GLU 124  18.375   9.198  -1.678
  929    HG2  GLU 124           HG2      GLU 124  16.603  10.276  -2.971
  930    HG3  GLU 124           HG3      GLU 124  15.549  10.282  -1.518
  931    H    ASN 125           H        ASN 125  18.412   6.778  -3.208
  932    HA   ASN 125           HA       ASN 125  17.267   7.321  -5.752
  933    HB2  ASN 125           HB2      ASN 125  19.338   5.377  -4.762
  934    HB3  ASN 125           HB3      ASN 125  18.627   5.103  -6.334
  935   HD21  ASN 125          HD22      ASN 125  20.358   7.611  -4.427
  936   HD22  ASN 125          HD21      ASN 125  21.035   8.431  -5.826
  937    H    LEU 126           H        LEU 126  17.019   4.416  -3.648
  938    HA   LEU 126           HA       LEU 126  15.309   2.928  -5.404
  939    HB2  LEU 126           HB2      LEU 126  15.954   1.524  -3.911
  940    HB3  LEU 126           HB3      LEU 126  16.238   2.755  -2.657
  941    HG   LEU 126           HG       LEU 126  13.382   1.981  -3.083
  942   HD11  LEU 126          HD11      LEU 126  15.474   0.135  -2.015
  943   HD12  LEU 126          HD12      LEU 126  13.744  -0.086  -1.713
  944   HD13  LEU 126          HD13      LEU 126  14.365  -0.155  -3.376
  945   HD21  LEU 126          HD21      LEU 126  13.298   2.049  -0.665
  946   HD22  LEU 126          HD22      LEU 126  15.074   2.132  -0.554
  947   HD23  LEU 126          HD23      LEU 126  14.160   3.494  -1.218
  948    H    ILE 127           H        ILE 127  14.592   5.210  -2.835
  949    HA   ILE 127           HA       ILE 127  11.719   5.113  -3.004
  950    HB   ILE 127           HB       ILE 127  13.881   6.951  -2.005
  951   HG12  ILE 127          HG12      ILE 127  11.429   6.224  -0.437
  952   HG13  ILE 127          HG13      ILE 127  12.395   4.847  -0.973
  953   HG21  ILE 127          HG21      ILE 127  11.067   7.965  -2.287
  954   HG22  ILE 127          HG22      ILE 127  12.245   8.582  -1.104
  955   HG23  ILE 127          HG23      ILE 127  12.587   8.698  -2.835
  956   HD11  ILE 127          HD11      ILE 127  13.918   7.134   0.264
  957   HD12  ILE 127          HD12      ILE 127  12.937   6.029   1.300
  958   HD13  ILE 127          HD13      ILE 127  14.194   5.385   0.232
  959    H    ALA 128           H        ALA 128  14.153   7.130  -4.803
  960    HA   ALA 128           HA       ALA 128  12.214   8.551  -6.263
  961    HB1  ALA 128           HB1      ALA 128  15.024   7.825  -7.191
  962    HB2  ALA 128           HB2      ALA 128  14.039   9.182  -7.753
  963    HB3  ALA 128           HB3      ALA 128  14.648   9.172  -6.083
  964    H    LYS 129           H        LYS 129  13.509   5.269  -6.819
  965    HA   LYS 129           HA       LYS 129  12.259   5.018  -9.383
  966    HB2  LYS 129           HB2      LYS 129  13.080   2.850  -7.413
  967    HB3  LYS 129           HB3      LYS 129  12.632   2.602  -9.098
  968    HG2  LYS 129           HG2      LYS 129  14.563   3.824  -9.894
  969    HG3  LYS 129           HG3      LYS 129  14.987   4.338  -8.252
  970    HD2  LYS 129           HD2      LYS 129  15.256   1.991  -7.567
  971    HD3  LYS 129           HD3      LYS 129  14.941   1.477  -9.252
  972    HE2  LYS 129           HE2      LYS 129  16.858   3.122  -9.883
  973    HE3  LYS 129           HE3      LYS 129  17.244   3.140  -8.155
  974    HZ1  LYS 129           HZ1      LYS 129  18.589   1.496  -9.249
  975    HZ2  LYS 129           HZ2      LYS 129  17.508   0.663  -8.328
  976    HZ3  LYS 129           HZ3      LYS 129  17.304   0.774  -9.951
  977    H    ILE 130           H        ILE 130  11.261   4.078  -6.012
  978    HA   ILE 130           HA       ILE 130   8.807   3.067  -7.178
  979    HB   ILE 130           HB       ILE 130   8.517   2.031  -5.014
  980   HG12  ILE 130          HG12      ILE 130  11.104   3.123  -4.098
  981   HG13  ILE 130          HG13      ILE 130   9.511   3.291  -3.387
  982   HG21  ILE 130          HG21      ILE 130  11.202   1.311  -6.224
  983   HG22  ILE 130          HG22      ILE 130   9.952   0.222  -5.567
  984   HG23  ILE 130          HG23      ILE 130   9.654   1.045  -7.071
  985   HD11  ILE 130          HD11      ILE 130  11.166   0.763  -3.623
  986   HD12  ILE 130          HD12      ILE 130  10.708   1.616  -2.148
  987   HD13  ILE 130          HD13      ILE 130   9.451   0.755  -3.104
  988    H    SER 131           H        SER 131   9.510   5.583  -4.736
  989    HA   SER 131           HA       SER 131   7.036   5.517  -3.480
  990    HB2  SER 131           HB2      SER 131   9.005   7.779  -3.853
  991    HB3  SER 131           HB3      SER 131   7.576   7.859  -2.797
  992    HG   SER 131           HG       SER 131   9.271   7.043  -1.541
  Start of MODEL   10
    1    H    MET   1           H        MET   1   1.521  -1.599   1.782
    2    HA   MET   1           HA       MET   1   1.428  -0.552  -0.977
    3    HB2  MET   1           HB2      MET   1   1.902   0.863   1.392
    4    HB3  MET   1           HB3      MET   1   3.530   0.467   0.873
    5    HG2  MET   1           HG2      MET   1   2.842   2.624   0.038
    6    HG3  MET   1           HG3      MET   1   3.046   1.530  -1.331
    7    HE1  MET   1           HE1      MET   1   0.297   4.075  -2.489
    8    HE2  MET   1           HE2      MET   1   1.612   4.447  -1.367
    9    HE3  MET   1           HE3      MET   1   1.927   3.426  -2.787
   10    H    LYS   2           H        LYS   2   3.976  -0.545  -1.889
   11    HA   LYS   2           HA       LYS   2   4.625  -3.368  -1.959
   12    HB2  LYS   2           HB2      LYS   2   6.753  -2.487  -3.180
   13    HB3  LYS   2           HB3      LYS   2   5.170  -2.332  -3.964
   14    HG2  LYS   2           HG2      LYS   2   5.832  -0.022  -2.375
   15    HG3  LYS   2           HG3      LYS   2   7.117  -0.410  -3.533
   16    HD2  LYS   2           HD2      LYS   2   5.682  -0.145  -5.405
   17    HD3  LYS   2           HD3      LYS   2   4.202  -0.322  -4.416
   18    HE2  LYS   2           HE2      LYS   2   4.670   1.819  -3.284
   19    HE3  LYS   2           HE3      LYS   2   6.139   2.024  -4.225
   20    HZ1  LYS   2           HZ1      LYS   2   4.272   3.276  -5.187
   21    HZ2  LYS   2           HZ2      LYS   2   4.770   2.155  -6.242
   22    HZ3  LYS   2           HZ3      LYS   2   3.383   1.910  -5.396
   23    H    LYS   3           H        LYS   3   6.047  -4.486  -0.693
   24    HA   LYS   3           HA       LYS   3   7.056  -2.960   1.631
   25    HB2  LYS   3           HB2      LYS   3   7.132  -5.944   1.437
   26    HB3  LYS   3           HB3      LYS   3   7.057  -4.922   2.864
   27    HG2  LYS   3           HG2      LYS   3   4.667  -4.383   2.276
   28    HG3  LYS   3           HG3      LYS   3   4.807  -5.458   0.873
   29    HD2  LYS   3           HD2      LYS   3   3.643  -6.528   2.743
   30    HD3  LYS   3           HD3      LYS   3   5.116  -7.385   2.268
   31    HE2  LYS   3           HE2      LYS   3   6.332  -6.618   4.160
   32    HE3  LYS   3           HE3      LYS   3   5.057  -5.462   4.623
   33    HZ1  LYS   3           HZ1      LYS   3   5.016  -7.516   5.963
   34    HZ2  LYS   3           HZ2      LYS   3   3.617  -7.336   5.139
   35    HZ3  LYS   3           HZ3      LYS   3   4.733  -8.426   4.626
   36    H    VAL   4           H        VAL   4   9.164  -2.906   2.206
   37    HA   VAL   4           HA       VAL   4  11.095  -4.032   0.269
   38    HB   VAL   4           HB       VAL   4  11.513  -1.501   1.858
   39   HG11  VAL   4          HG11      VAL   4  13.007  -2.845  -0.421
   40   HG12  VAL   4          HG12      VAL   4  13.233  -1.125  -0.004
   41   HG13  VAL   4          HG13      VAL   4  13.614  -2.387   1.159
   42   HG21  VAL   4          HG21      VAL   4   9.658  -0.974   0.417
   43   HG22  VAL   4          HG22      VAL   4  11.095  -0.302  -0.370
   44   HG23  VAL   4          HG23      VAL   4  10.375  -1.815  -0.957
   45    H    MET   5           H        MET   5  13.153  -4.627   1.143
   46    HA   MET   5           HA       MET   5  13.270  -5.221   4.048
   47    HB2  MET   5           HB2      MET   5  13.471  -6.964   1.607
   48    HB3  MET   5           HB3      MET   5  14.702  -7.202   2.850
   49    HG2  MET   5           HG2      MET   5  11.752  -7.255   3.485
   50    HG3  MET   5           HG3      MET   5  12.717  -8.683   3.031
   51    HE1  MET   5           HE1      MET   5  11.920  -9.817   4.941
   52    HE2  MET   5           HE2      MET   5  12.315  -9.521   6.651
   53    HE3  MET   5           HE3      MET   5  11.102  -8.510   5.838
   54    H    PHE   6           H        PHE   6  15.177  -4.610   4.847
   55    HA   PHE   6           HA       PHE   6  17.451  -4.108   3.005
   56    HB2  PHE   6           HB2      PHE   6  16.772  -2.764   5.596
   57    HB3  PHE   6           HB3      PHE   6  18.271  -2.559   4.656
   58    HD1  PHE   6           HD1      PHE   6  18.162  -1.518   2.348
   59    HD2  PHE   6           HD2      PHE   6  14.681  -1.820   4.866
   60    HE1  PHE   6           HE1      PHE   6  16.898  -0.065   0.795
   61    HE2  PHE   6           HE2      PHE   6  13.392  -0.516   3.233
   62    HZ   PHE   6           HZ       PHE   6  14.523   0.506   1.262
   63    H    VAL   7           H        VAL   7  18.513  -6.058   3.146
   64    HA   VAL   7           HA       VAL   7  18.132  -7.700   5.545
   65    HB   VAL   7           HB       VAL   7  19.746  -8.585   3.162
   66   HG11  VAL   7          HG11      VAL   7  18.940 -10.771   3.801
   67   HG12  VAL   7          HG12      VAL   7  19.737 -10.005   5.183
   68   HG13  VAL   7          HG13      VAL   7  17.963 -10.081   5.119
   69   HG21  VAL   7          HG21      VAL   7  17.617  -9.507   2.219
   70   HG22  VAL   7          HG22      VAL   7  16.708  -8.580   3.455
   71   HG23  VAL   7          HG23      VAL   7  17.614  -7.748   2.179
   72    H    CYS   8           H        CYS   8  19.452  -7.638   7.221
   73    HA   CYS   8           HA       CYS   8  21.875  -6.103   7.018
   74    HB2  CYS   8           HB2      CYS   8  20.892  -7.539   9.504
   75    HB3  CYS   8           HB3      CYS   8  21.808  -6.042   9.385
   76    HG   CYS   8           HG       CYS   8  19.447  -5.539  10.358
   77    H    LYS   9           H        LYS   9  23.804  -6.750   8.286
   78    HA   LYS   9           HA       LYS   9  24.468  -9.447   8.824
   79    HB2  LYS   9           HB2      LYS   9  25.473  -8.280   6.227
   80    HB3  LYS   9           HB3      LYS   9  26.703  -8.956   7.280
   81    HG2  LYS   9           HG2      LYS   9  25.091 -11.052   7.424
   82    HG3  LYS   9           HG3      LYS   9  24.382 -10.368   5.978
   83    HD2  LYS   9           HD2      LYS   9  25.993 -12.041   5.348
   84    HD3  LYS   9           HD3      LYS   9  26.586 -10.473   4.836
   85    HE2  LYS   9           HE2      LYS   9  28.421 -11.781   5.665
   86    HE3  LYS   9           HE3      LYS   9  28.182 -10.406   6.734
   87    HZ1  LYS   9           HZ1      LYS   9  28.571 -12.513   7.917
   88    HZ2  LYS   9           HZ2      LYS   9  27.131 -11.879   8.347
   89    HZ3  LYS   9           HZ3      LYS   9  27.199 -13.163   7.310
   90    H    ARG  10           H        ARG  10  26.752  -9.389   9.787
   91    HA   ARG  10           HA       ARG  10  28.204  -8.509  11.271
   92    HB2  ARG  10           HB2      ARG  10  28.474  -7.078   8.861
   93    HB3  ARG  10           HB3      ARG  10  28.458  -5.785  10.021
   94    HG2  ARG  10           HG2      ARG  10  30.259  -8.247  10.247
   95    HG3  ARG  10           HG3      ARG  10  30.702  -6.839   9.290
   96    HD2  ARG  10           HD2      ARG  10  30.980  -5.438  11.163
   97    HD3  ARG  10           HD3      ARG  10  30.024  -6.481  12.214
   98    HE   ARG  10           HE       ARG  10  31.788  -7.783  12.679
   99   HH11  ARG  10          HH11      ARG  10  32.778  -5.741   9.877
  100   HH12  ARG  10          HH12      ARG  10  34.402  -6.265   9.945
  101   HH21  ARG  10          HH21      ARG  10  33.958  -8.468  12.709
  102   HH22  ARG  10          HH22      ARG  10  35.098  -7.850  11.569
  103    H    ASN  11           H        ASN  11  28.102  -5.421  11.950
  104    HA   ASN  11           HA       ASN  11  26.366  -5.849  14.226
  105    HB2  ASN  11           HB2      ASN  11  28.552  -4.530  14.160
  106    HB3  ASN  11           HB3      ASN  11  27.660  -3.252  13.326
  107   HD21  ASN  11          HD22      ASN  11  28.295  -1.900  15.152
  108   HD22  ASN  11          HD21      ASN  11  27.403  -1.964  16.662
  109    H    SER  12           H        SER  12  25.467  -5.233  11.081
  110    HA   SER  12           HA       SER  12  23.580  -4.675  10.097
  111    HB2  SER  12           HB2      SER  12  22.435  -4.918  12.908
  112    HB3  SER  12           HB3      SER  12  21.515  -4.958  11.394
  113    HG   SER  12           HG       SER  12  23.594  -6.778  12.180
  114    H    CYS  13           H        CYS  13  24.934  -2.279  12.010
  115    HA   CYS  13           HA       CYS  13  22.897  -0.387  12.186
  116    HB2  CYS  13           HB2      CYS  13  24.921   1.272  12.141
  117    HB3  CYS  13           HB3      CYS  13  24.815   0.037  13.414
  118    HG   CYS  13           HG       CYS  13  27.326   0.350  12.686
  119    H    ARG  14           H        ARG  14  25.143  -0.836   9.389
  120    HA   ARG  14           HA       ARG  14  24.093   1.283   7.829
  121    HB2  ARG  14           HB2      ARG  14  25.020   0.073   5.834
  122    HB3  ARG  14           HB3      ARG  14  26.141   0.271   7.161
  123    HG2  ARG  14           HG2      ARG  14  25.808  -2.097   7.840
  124    HG3  ARG  14           HG3      ARG  14  24.647  -2.313   6.517
  125    HD2  ARG  14           HD2      ARG  14  26.384  -1.945   4.860
  126    HD3  ARG  14           HD3      ARG  14  27.593  -1.601   6.118
  127    HE   ARG  14           HE       ARG  14  26.615  -4.074   6.850
  128   HH11  ARG  14          HH11      ARG  14  28.222  -2.820   3.950
  129   HH12  ARG  14          HH12      ARG  14  28.868  -4.341   3.481
  130   HH21  ARG  14          HH21      ARG  14  27.471  -6.111   6.218
  131   HH22  ARG  14          HH22      ARG  14  28.416  -6.256   4.784
  132    H    SER  15           H        SER  15  22.714  -1.954   8.281
  133    HA   SER  15           HA       SER  15  20.883  -1.630   5.991
  134    HB2  SER  15           HB2      SER  15  20.419  -4.085   6.990
  135    HB3  SER  15           HB3      SER  15  21.768  -3.704   5.925
  136    HG   SER  15           HG       SER  15  23.162  -4.126   7.465
  137    H    GLN  16           H        GLN  16  20.717  -2.052   9.551
  138    HA   GLN  16           HA       GLN  16  17.881  -1.646   9.756
  139    HB2  GLN  16           HB2      GLN  16  19.265  -2.712  11.407
  140    HB3  GLN  16           HB3      GLN  16  20.208  -1.215  11.626
  141    HG2  GLN  16           HG2      GLN  16  17.943  -0.194  12.412
  142    HG3  GLN  16           HG3      GLN  16  17.408  -1.871  12.582
  143   HE21  GLN  16          HE22      GLN  16  17.634  -0.033  14.829
  144   HE22  GLN  16          HE21      GLN  16  19.043  -0.457  15.763
  145    H    MET  17           H        MET  17  20.645   0.666   9.611
  146    HA   MET  17           HA       MET  17  19.095   3.044   9.831
  147    HB2  MET  17           HB2      MET  17  21.564   3.068   9.862
  148    HB3  MET  17           HB3      MET  17  21.574   2.410   8.195
  149    HG2  MET  17           HG2      MET  17  22.121   4.707   8.098
  150    HG3  MET  17           HG3      MET  17  20.585   4.474   7.308
  151    HE1  MET  17           HE1      MET  17  18.272   6.671   9.877
  152    HE2  MET  17           HE2      MET  17  18.260   6.046   8.226
  153    HE3  MET  17           HE3      MET  17  18.222   4.905   9.617
  154    H    ALA  18           H        ALA  18  19.841   0.956   6.990
  155    HA   ALA  18           HA       ALA  18  18.798   2.755   5.116
  156    HB1  ALA  18           HB1      ALA  18  18.722  -0.282   4.922
  157    HB2  ALA  18           HB2      ALA  18  18.834   0.888   3.588
  158    HB3  ALA  18           HB3      ALA  18  20.190   0.695   4.727
  159    H    GLU  19           H        GLU  19  17.061   0.278   7.105
  160    HA   GLU  19           HA       GLU  19  14.475   0.915   6.038
  161    HB2  GLU  19           HB2      GLU  19  14.874  -1.029   7.517
  162    HB3  GLU  19           HB3      GLU  19  15.170   0.076   8.870
  163    HG2  GLU  19           HG2      GLU  19  12.754   0.979   8.298
  164    HG3  GLU  19           HG3      GLU  19  12.606  -0.508   7.380
  165    H    GLY  20           H        GLY  20  16.460   2.552   8.659
  166    HA2  GLY  20           HA2      GLY  20  14.325   4.165   9.602
  167    HA3  GLY  20           HA3      GLY  20  16.054   4.498   9.772
  168    H    PHE  21           H        PHE  21  16.802   4.746   7.044
  169    HA   PHE  21           HA       PHE  21  15.753   7.397   6.369
  170    HB2  PHE  21           HB2      PHE  21  17.603   5.423   4.990
  171    HB3  PHE  21           HB3      PHE  21  17.003   6.847   4.154
  172    HD1  PHE  21           HD1      PHE  21  17.164   9.122   5.769
  173    HD2  PHE  21           HD2      PHE  21  19.834   5.719   5.716
  174    HE1  PHE  21           HE1      PHE  21  18.985  10.522   6.659
  175    HE2  PHE  21           HE2      PHE  21  21.632   7.112   6.555
  176    HZ   PHE  21           HZ       PHE  21  21.222   9.545   7.071
  177    H    ALA  22           H        ALA  22  15.164   4.022   5.162
  178    HA   ALA  22           HA       ALA  22  13.615   5.012   2.973
  179    HB1  ALA  22           HB1      ALA  22  14.755   2.868   2.877
  180    HB2  ALA  22           HB2      ALA  22  13.820   2.260   4.235
  181    HB3  ALA  22           HB3      ALA  22  13.005   2.609   2.682
  182    H    LYS  23           H        LYS  23  12.595   3.981   6.262
  183    HA   LYS  23           HA       LYS  23   9.804   4.287   5.647
  184    HB2  LYS  23           HB2      LYS  23   9.411   3.775   7.899
  185    HB3  LYS  23           HB3      LYS  23  10.879   2.883   7.488
  186    HG2  LYS  23           HG2      LYS  23  12.191   4.834   8.492
  187    HG3  LYS  23           HG3      LYS  23  10.650   5.473   9.084
  188    HD2  LYS  23           HD2      LYS  23  10.303   3.289  10.316
  189    HD3  LYS  23           HD3      LYS  23  11.940   2.812   9.806
  190    HE2  LYS  23           HE2      LYS  23  12.792   4.981  10.859
  191    HE3  LYS  23           HE3      LYS  23  11.167   5.253  11.492
  192    HZ1  LYS  23           HZ1      LYS  23  12.845   2.869  12.126
  193    HZ2  LYS  23           HZ2      LYS  23  12.699   4.192  13.082
  194    HZ3  LYS  23           HZ3      LYS  23  11.374   3.241  12.805
  195    H    THR  24           H        THR  24  12.300   6.531   6.404
  196    HA   THR  24           HA       THR  24  10.614   8.765   7.195
  197    HB   THR  24           HB       THR  24  13.499   8.098   6.671
  198    HG1  THR  24           HG1      THR  24  13.150   7.757   8.669
  199   HG21  THR  24          HG21      THR  24  12.653  10.965   6.996
  200   HG22  THR  24          HG22      THR  24  14.307  10.293   7.152
  201   HG23  THR  24          HG23      THR  24  13.469  10.207   5.597
  202    H    LEU  25           H        LEU  25  12.555   7.836   4.344
  203    HA   LEU  25           HA       LEU  25  11.740  10.141   2.830
  204    HB2  LEU  25           HB2      LEU  25  13.517   7.764   2.342
  205    HB3  LEU  25           HB3      LEU  25  13.231   8.985   1.087
  206    HG   LEU  25           HG       LEU  25  14.459   9.492   3.800
  207   HD11  LEU  25          HD11      LEU  25  15.735   9.313   1.033
  208   HD12  LEU  25          HD12      LEU  25  16.594   9.702   2.546
  209   HD13  LEU  25          HD13      LEU  25  15.919   8.090   2.321
  210   HD21  LEU  25          HD21      LEU  25  14.185  11.307   1.360
  211   HD22  LEU  25          HD22      LEU  25  13.393  11.536   2.940
  212   HD23  LEU  25          HD23      LEU  25  15.146  11.684   2.806
  213    H    GLY  26           H        GLY  26  10.866   6.736   2.950
  214    HA2  GLY  26           HA2      GLY  26   9.259   6.777   0.454
  215    HA3  GLY  26           HA3      GLY  26   9.806   5.376   1.418
  216    H    ALA  27           H        ALA  27   8.560   8.036   3.217
  217    HA   ALA  27           HA       ALA  27   6.791   6.367   4.634
  218    HB1  ALA  27           HB1      ALA  27   6.148   8.447   5.798
  219    HB2  ALA  27           HB2      ALA  27   7.907   8.426   5.539
  220    HB3  ALA  27           HB3      ALA  27   6.872   9.429   4.505
  221    H    GLY  28           H        GLY  28   4.823   5.643   4.117
  222    HA2  GLY  28           HA2      GLY  28   2.647   5.651   3.359
  223    HA3  GLY  28           HA3      GLY  28   2.829   7.348   2.872
  224    H    LYS  29           H        LYS  29   5.319   5.460   1.513
  225    HA   LYS  29           HA       LYS  29   3.898   5.164  -1.056
  226    HB2  LYS  29           HB2      LYS  29   6.718   6.052  -0.417
  227    HB3  LYS  29           HB3      LYS  29   6.126   5.670  -2.034
  228    HG2  LYS  29           HG2      LYS  29   4.950   7.797  -0.216
  229    HG3  LYS  29           HG3      LYS  29   6.133   8.119  -1.488
  230    HD2  LYS  29           HD2      LYS  29   4.373   6.939  -3.082
  231    HD3  LYS  29           HD3      LYS  29   3.240   7.188  -1.761
  232    HE2  LYS  29           HE2      LYS  29   2.937   8.973  -3.276
  233    HE3  LYS  29           HE3      LYS  29   3.721   9.658  -1.849
  234    HZ1  LYS  29           HZ1      LYS  29   5.210   8.841  -4.302
  235    HZ2  LYS  29           HZ2      LYS  29   4.631  10.363  -4.071
  236    HZ3  LYS  29           HZ3      LYS  29   5.774   9.773  -3.067
  237    H    ILE  30           H        ILE  30   6.185   3.827   1.302
  238    HA   ILE  30           HA       ILE  30   5.806   1.179   0.045
  239    HB   ILE  30           HB       ILE  30   8.208   0.690   0.529
  240   HG12  ILE  30          HG12      ILE  30   8.845   3.639   0.425
  241   HG13  ILE  30          HG13      ILE  30   8.461   2.907   1.979
  242   HG21  ILE  30          HG21      ILE  30   9.094   1.658  -1.534
  243   HG22  ILE  30          HG22      ILE  30   7.428   1.090  -1.737
  244   HG23  ILE  30          HG23      ILE  30   7.769   2.827  -1.609
  245   HD11  ILE  30          HD11      ILE  30  10.251   1.214   1.646
  246   HD12  ILE  30          HD12      ILE  30  10.736   2.069   0.153
  247   HD13  ILE  30          HD13      ILE  30  10.837   2.888   1.725
  248    H    ALA  31           H        ALA  31   6.425  -0.518   1.528
  249    HA   ALA  31           HA       ALA  31   6.100   0.239   4.432
  250    HB1  ALA  31           HB1      ALA  31   5.511  -2.151   4.796
  251    HB2  ALA  31           HB2      ALA  31   4.333  -1.337   3.744
  252    HB3  ALA  31           HB3      ALA  31   5.544  -2.425   3.049
  253    H    VAL  32           H        VAL  32   7.906  -0.412   5.734
  254    HA   VAL  32           HA       VAL  32  10.265  -1.289   4.196
  255    HB   VAL  32           HB       VAL  32  10.276   0.796   6.364
  256   HG11  VAL  32          HG11      VAL  32  12.376  -0.168   5.222
  257   HG12  VAL  32          HG12      VAL  32  11.854   0.819   3.823
  258   HG13  VAL  32          HG13      VAL  32  12.190   1.581   5.411
  259   HG21  VAL  32          HG21      VAL  32  10.158   2.558   4.413
  260   HG22  VAL  32          HG22      VAL  32   9.282   1.311   3.562
  261   HG23  VAL  32          HG23      VAL  32   8.651   1.929   5.096
  262    H    THR  33           H        THR  33  11.756  -2.664   5.228
  263    HA   THR  33           HA       THR  33  11.466  -3.275   8.111
  264    HB   THR  33           HB       THR  33  11.737  -5.655   6.453
  265    HG1  THR  33           HG1      THR  33  10.332  -4.638   5.025
  266   HG21  THR  33          HG21      THR  33   9.641  -4.902   8.525
  267   HG22  THR  33          HG22      THR  33   9.981  -6.535   7.897
  268   HG23  THR  33          HG23      THR  33  11.200  -5.685   8.864
  269    H    SER  34           H        SER  34  13.445  -4.174   9.025
  270    HA   SER  34           HA       SER  34  15.697  -4.636   7.155
  271    HB2  SER  34           HB2      SER  34  17.179  -3.684   8.946
  272    HB3  SER  34           HB3      SER  34  16.270  -2.537   7.978
  273    HG   SER  34           HG       SER  34  14.690  -2.507   9.776
  274    H    CYS  35           H        CYS  35  16.409  -6.743   7.426
  275    HA   CYS  35           HA       CYS  35  15.892  -8.057  10.061
  276    HB2  CYS  35           HB2      CYS  35  14.803  -8.995   7.355
  277    HB3  CYS  35           HB3      CYS  35  14.754  -9.924   8.844
  278    HG   CYS  35           HG       CYS  35  12.397  -9.147   8.789
  279    H    GLY  36           H        GLY  36  16.843 -10.290  10.144
  280    HA2  GLY  36           HA2      GLY  36  18.642 -11.718   9.711
  281    HA3  GLY  36           HA3      GLY  36  19.129 -10.746   8.310
  282    H    LEU  37           H        LEU  37  18.461  -9.731  11.715
  283    HA   LEU  37           HA       LEU  37  21.042  -8.270  11.872
  284    HB2  LEU  37           HB2      LEU  37  18.693  -8.646  13.804
  285    HB3  LEU  37           HB3      LEU  37  20.284  -8.090  14.314
  286    HG   LEU  37           HG       LEU  37  19.920  -6.248  12.428
  287   HD11  LEU  37          HD11      LEU  37  17.696  -7.051  11.651
  288   HD12  LEU  37          HD12      LEU  37  17.040  -6.806  13.291
  289   HD13  LEU  37          HD13      LEU  37  17.605  -5.425  12.348
  290   HD21  LEU  37          HD21      LEU  37  18.701  -6.194  15.218
  291   HD22  LEU  37          HD22      LEU  37  20.321  -5.660  14.734
  292   HD23  LEU  37          HD23      LEU  37  18.895  -4.754  14.194
  293    H    GLU  38           H        GLU  38  22.827  -9.633  12.377
  294    HA   GLU  38           HA       GLU  38  22.248 -12.411  12.411
  295    HB2  GLU  38           HB2      GLU  38  24.897 -11.035  12.876
  296    HB3  GLU  38           HB3      GLU  38  24.606 -12.778  12.652
  297    HG2  GLU  38           HG2      GLU  38  23.488 -12.206  10.429
  298    HG3  GLU  38           HG3      GLU  38  24.077 -10.553  10.646
  299    H    SER  39           H        SER  39  20.953 -12.756  14.084
  300    HA   SER  39           HA       SER  39  20.307 -13.522  16.126
  301    HB2  SER  39           HB2      SER  39  23.189 -14.483  16.324
  302    HB3  SER  39           HB3      SER  39  21.784 -15.153  17.173
  303    HG   SER  39           HG       SER  39  22.316 -16.368  15.280
  304    H    SER  40           H        SER  40  20.994 -10.799  16.108
  305    HA   SER  40           HA       SER  40  21.870 -10.246  18.879
  306    HB2  SER  40           HB2      SER  40  23.114  -8.980  16.379
  307    HB3  SER  40           HB3      SER  40  23.478  -8.554  18.054
  308    HG   SER  40           HG       SER  40  24.062 -10.950  16.653
  309    H    ARG  41           H        ARG  41  21.568  -7.900  19.338
  310    HA   ARG  41           HA       ARG  41  18.937  -7.055  18.246
  311    HB2  ARG  41           HB2      ARG  41  20.460  -6.489  20.823
  312    HB3  ARG  41           HB3      ARG  41  18.945  -5.678  20.421
  313    HG2  ARG  41           HG2      ARG  41  17.653  -7.621  20.555
  314    HG3  ARG  41           HG3      ARG  41  19.034  -8.709  20.372
  315    HD2  ARG  41           HD2      ARG  41  19.903  -8.105  22.554
  316    HD3  ARG  41           HD3      ARG  41  18.587  -6.918  22.785
  317    HE   ARG  41           HE       ARG  41  17.414  -9.431  22.227
  318   HH11  ARG  41          HH21      ARG  41  19.291  -7.914  24.837
  319   HH12  ARG  41          HH22      ARG  41  18.634  -8.906  26.085
  320   HH21  ARG  41          HH11      ARG  41  16.530 -10.759  23.893
  321   HH22  ARG  41          HH12      ARG  41  17.027 -10.563  25.532
  322    H    VAL  42           H        VAL  42  18.821  -4.453  18.712
  323    HA   VAL  42           HA       VAL  42  20.389  -3.150  16.723
  324    HB   VAL  42           HB       VAL  42  19.308  -1.165  17.528
  325   HG11  VAL  42          HG11      VAL  42  17.860  -2.895  16.365
  326   HG12  VAL  42          HG12      VAL  42  17.214  -3.336  17.960
  327   HG13  VAL  42          HG13      VAL  42  16.992  -1.689  17.331
  328   HG21  VAL  42          HG21      VAL  42  19.709  -1.328  19.948
  329   HG22  VAL  42          HG22      VAL  42  18.012  -0.993  19.606
  330   HG23  VAL  42          HG23      VAL  42  18.506  -2.635  20.071
  331    H    HIS  43           H        HIS  43  21.564  -1.102  17.257
  332    HA   HIS  43           HA       HIS  43  23.549  -1.555  19.428
  333    HB2  HIS  43           HB2      HIS  43  24.264  -2.444  17.244
  334    HB3  HIS  43           HB3      HIS  43  23.993  -0.885  16.493
  335    HD1  HIS  43           HD1      HIS  43  26.241  -2.340  19.354
  336    HD2  HIS  43           HD2      HIS  43  26.072   0.722  16.462
  337    HE1  HIS  43           HE1      HIS  43  28.460  -1.096  19.489
  338    HA   PRO  44           HA       PRO  44  21.842   2.488  20.158
  339    HB2  PRO  44           HB2      PRO  44  23.401   3.407  22.215
  340    HB3  PRO  44           HB3      PRO  44  22.248   2.048  22.415
  341    HG2  PRO  44           HG2      PRO  44  25.194   1.889  21.683
  342    HG3  PRO  44           HG3      PRO  44  24.387   1.092  23.095
  343    HD2  PRO  44           HD2      PRO  44  24.698  -0.335  20.868
  344    HD3  PRO  44           HD3      PRO  44  23.054  -0.324  21.601
  345    H    THR  45           H        THR  45  25.384   2.173  19.457
  346    HA   THR  45           HA       THR  45  25.823   4.877  19.094
  347    HB   THR  45           HB       THR  45  27.068   2.702  17.358
  348    HG1  THR  45           HG1      THR  45  28.015   1.994  19.054
  349   HG21  THR  45          HG21      THR  45  28.085   5.428  18.259
  350   HG22  THR  45          HG22      THR  45  29.083   4.186  17.455
  351   HG23  THR  45          HG23      THR  45  27.722   4.914  16.600
  352    H    ALA  46           H        ALA  46  24.211   2.504  16.947
  353    HA   ALA  46           HA       ALA  46  24.183   4.220  14.625
  354    HB1  ALA  46           HB1      ALA  46  22.681   2.610  13.644
  355    HB2  ALA  46           HB2      ALA  46  23.864   1.692  14.595
  356    HB3  ALA  46           HB3      ALA  46  22.231   1.951  15.238
  357    H    ILE  47           H        ILE  47  21.947   3.560  17.335
  358    HA   ILE  47           HA       ILE  47  19.817   5.193  16.398
  359    HB   ILE  47           HB       ILE  47  20.657   4.311  19.116
  360   HG12  ILE  47          HG12      ILE  47  18.505   3.204  19.141
  361   HG13  ILE  47          HG13      ILE  47  18.150   3.764  17.482
  362   HG21  ILE  47          HG21      ILE  47  18.538   5.257  20.066
  363   HG22  ILE  47          HG22      ILE  47  19.655   6.517  19.570
  364   HG23  ILE  47          HG23      ILE  47  18.267   6.116  18.534
  365   HD11  ILE  47          HD11      ILE  47  18.731   1.431  17.648
  366   HD12  ILE  47          HD12      ILE  47  20.001   2.273  16.720
  367   HD13  ILE  47          HD13      ILE  47  20.275   1.804  18.428
  368    H    ALA  48           H        ALA  48  22.620   6.059  18.555
  369    HA   ALA  48           HA       ALA  48  21.944   8.782  18.795
  370    HB1  ALA  48           HB1      ALA  48  24.298   9.132  19.403
  371    HB2  ALA  48           HB2      ALA  48  23.635   7.690  20.200
  372    HB3  ALA  48           HB3      ALA  48  24.721   7.515  18.792
  373    H    MET  49           H        MET  49  23.952   7.161  16.352
  374    HA   MET  49           HA       MET  49  24.649   9.422  14.813
  375    HB2  MET  49           HB2      MET  49  24.289   6.501  14.083
  376    HB3  MET  49           HB3      MET  49  24.873   7.691  12.933
  377    HG2  MET  49           HG2      MET  49  26.248   7.341  15.615
  378    HG3  MET  49           HG3      MET  49  26.567   6.283  14.264
  379    HE1  MET  49           HE1      MET  49  27.601   9.098  16.143
  380    HE2  MET  49           HE2      MET  49  28.264  10.354  15.059
  381    HE3  MET  49           HE3      MET  49  26.511  10.206  15.281
  382    H    MET  50           H        MET  50  21.597   7.669  14.944
  383    HA   MET  50           HA       MET  50  20.741   9.008  12.450
  384    HB2  MET  50           HB2      MET  50  19.238   7.078  14.253
  385    HB3  MET  50           HB3      MET  50  18.765   7.625  12.647
  386    HG2  MET  50           HG2      MET  50  20.498   5.460  13.393
  387    HG3  MET  50           HG3      MET  50  19.728   5.796  11.879
  388    HE1  MET  50           HE1      MET  50  21.918   4.165  11.846
  389    HE2  MET  50           HE2      MET  50  23.296   4.793  10.887
  390    HE3  MET  50           HE3      MET  50  23.388   4.779  12.656
  391    H    GLU  51           H        GLU  51  20.237   9.102  15.960
  392    HA   GLU  51           HA       GLU  51  18.189  11.032  16.011
  393    HB2  GLU  51           HB2      GLU  51  18.909   9.608  17.936
  394    HB3  GLU  51           HB3      GLU  51  20.438  10.488  18.015
  395    HG2  GLU  51           HG2      GLU  51  19.234  12.580  18.546
  396    HG3  GLU  51           HG3      GLU  51  17.689  11.745  18.375
  397    H    GLU  52           H        GLU  52  21.726  11.355  15.719
  398    HA   GLU  52           HA       GLU  52  21.610  14.197  15.931
  399    HB2  GLU  52           HB2      GLU  52  23.913  14.269  15.427
  400    HB3  GLU  52           HB3      GLU  52  23.602  12.958  16.561
  401    HG2  GLU  52           HG2      GLU  52  24.412  11.389  15.218
  402    HG3  GLU  52           HG3      GLU  52  23.659  12.056  13.754
  403    H    VAL  53           H        VAL  53  20.333  12.340  13.484
  404    HA   VAL  53           HA       VAL  53  20.279  14.699  11.733
  405    HB   VAL  53           HB       VAL  53  20.137  13.127   9.820
  406   HG11  VAL  53          HG11      VAL  53  22.176  14.431  10.320
  407   HG12  VAL  53          HG12      VAL  53  22.796  13.075  11.284
  408   HG13  VAL  53          HG13      VAL  53  22.538  12.887   9.532
  409   HG21  VAL  53          HG21      VAL  53  19.682  10.994  10.941
  410   HG22  VAL  53          HG22      VAL  53  21.108  10.903   9.896
  411   HG23  VAL  53          HG23      VAL  53  21.315  11.034  11.651
  412    H    GLY  54           H        GLY  54  18.519  13.257  13.947
  413    HA2  GLY  54           HA2      GLY  54  16.308  13.520  14.387
  414    HA3  GLY  54           HA3      GLY  54  16.090  14.262  12.802
  415    H    ILE  55           H        ILE  55  17.296  10.924  13.361
  416    HA   ILE  55           HA       ILE  55  14.742   9.784  12.433
  417    HB   ILE  55           HB       ILE  55  17.480   8.959  11.463
  418   HG12  ILE  55          HG12      ILE  55  15.100  10.383  10.195
  419   HG13  ILE  55          HG13      ILE  55  16.759  10.977  10.381
  420   HG21  ILE  55          HG21      ILE  55  16.103   6.939  11.748
  421   HG22  ILE  55          HG22      ILE  55  14.715   7.740  10.943
  422   HG23  ILE  55          HG23      ILE  55  16.183   7.310  10.057
  423   HD11  ILE  55          HD11      ILE  55  17.486   9.078   8.873
  424   HD12  ILE  55          HD12      ILE  55  15.745   8.837   8.539
  425   HD13  ILE  55          HD13      ILE  55  16.520  10.382   8.126
  426    H    ASP  56           H        ASP  56  14.516   7.475  13.256
  427    HA   ASP  56           HA       ASP  56  16.241   6.757  15.563
  428    HB2  ASP  56           HB2      ASP  56  14.452   7.887  16.691
  429    HB3  ASP  56           HB3      ASP  56  13.235   7.141  15.647
  430    H    ILE  57           H        ILE  57  16.438   4.542  15.792
  431    HA   ILE  57           HA       ILE  57  14.928   2.680  14.129
  432    HB   ILE  57           HB       ILE  57  16.939   1.713  13.207
  433   HG12  ILE  57          HG12      ILE  57  18.500   4.089  14.337
  434   HG13  ILE  57          HG13      ILE  57  18.634   2.408  14.865
  435   HG21  ILE  57          HG21      ILE  57  17.060   4.638  12.402
  436   HG22  ILE  57          HG22      ILE  57  17.221   3.169  11.391
  437   HG23  ILE  57          HG23      ILE  57  15.653   3.641  12.029
  438   HD11  ILE  57          HD11      ILE  57  19.377   3.481  12.102
  439   HD12  ILE  57          HD12      ILE  57  20.464   3.012  13.415
  440   HD13  ILE  57          HD13      ILE  57  19.478   1.774  12.611
  441    H    SER  58           H        SER  58  15.497   3.515  17.102
  442    HA   SER  58           HA       SER  58  16.667   1.191  18.280
  443    HB2  SER  58           HB2      SER  58  15.639   2.048  20.357
  444    HB3  SER  58           HB3      SER  58  16.583   3.249  19.483
  445    HG   SER  58           HG       SER  58  14.748   4.231  18.748
  446    H    GLY  59           H        GLY  59  15.686  -0.566  19.268
  447    HA2  GLY  59           HA2      GLY  59  14.305  -2.346  19.376
  448    HA3  GLY  59           HA3      GLY  59  12.981  -1.175  19.393
  449    H    GLN  60           H        GLN  60  14.647  -0.821  16.384
  450    HA   GLN  60           HA       GLN  60  12.489  -1.442  14.927
  451    HB2  GLN  60           HB2      GLN  60  15.352  -1.038  14.313
  452    HB3  GLN  60           HB3      GLN  60  14.610  -2.142  13.159
  453    HG2  GLN  60           HG2      GLN  60  12.727  -0.522  12.884
  454    HG3  GLN  60           HG3      GLN  60  13.524   0.557  14.062
  455   HE21  GLN  60          HE22      GLN  60  15.373  -1.175  11.456
  456   HE22  GLN  60          HE21      GLN  60  15.869   0.325  10.711
  457    H    THR  61           H        THR  61  15.158  -3.772  15.107
  458    HA   THR  61           HA       THR  61  13.380  -6.080  14.937
  459    HB   THR  61           HB       THR  61  14.829  -6.714  12.830
  460    HG1  THR  61           HG1      THR  61  15.244  -4.908  11.570
  461   HG21  THR  61          HG21      THR  61  12.663  -4.684  12.297
  462   HG22  THR  61          HG22      THR  61  13.050  -6.167  11.417
  463   HG23  THR  61          HG23      THR  61  12.275  -6.276  12.999
  464    H    SER  62           H        SER  62  14.570  -8.098  15.190
  465    HA   SER  62           HA       SER  62  17.401  -8.122  15.863
  466    HB2  SER  62           HB2      SER  62  15.282  -8.541  18.034
  467    HB3  SER  62           HB3      SER  62  17.008  -8.881  18.214
  468    HG   SER  62           HG       SER  62  16.438  -6.317  17.351
  469    H    ASP  63           H        ASP  63  16.033  -9.433  13.772
  470    HA   ASP  63           HA       ASP  63  15.587 -12.192  14.796
  471    HB2  ASP  63           HB2      ASP  63  13.730 -10.495  13.112
  472    HB3  ASP  63           HB3      ASP  63  13.650 -12.253  13.112
  473    HA   PRO  64           HA       PRO  64  18.036 -13.230  11.294
  474    HB2  PRO  64           HB2      PRO  64  17.725 -15.931  11.162
  475    HB3  PRO  64           HB3      PRO  64  18.443 -15.135  12.594
  476    HG2  PRO  64           HG2      PRO  64  15.562 -16.016  12.210
  477    HG3  PRO  64           HG3      PRO  64  16.648 -16.375  13.587
  478    HD2  PRO  64           HD2      PRO  64  14.864 -14.294  13.630
  479    HD3  PRO  64           HD3      PRO  64  16.461 -14.199  14.431
  480    H    ILE  65           H        ILE  65  18.029 -14.061   9.097
  481    HA   ILE  65           HA       ILE  65  15.792 -13.161   7.600
  482    HB   ILE  65           HB       ILE  65  18.131 -13.000   6.872
  483   HG12  ILE  65          HG12      ILE  65  16.394 -14.598   4.926
  484   HG13  ILE  65          HG13      ILE  65  16.418 -12.850   5.178
  485   HG21  ILE  65          HG21      ILE  65  18.119 -16.008   6.333
  486   HG22  ILE  65          HG22      ILE  65  19.467 -14.875   6.121
  487   HG23  ILE  65          HG23      ILE  65  18.913 -15.278   7.737
  488   HD11  ILE  65          HD11      ILE  65  17.654 -13.242   3.207
  489   HD12  ILE  65          HD12      ILE  65  18.887 -12.933   4.452
  490   HD13  ILE  65          HD13      ILE  65  18.560 -14.592   3.915
  491    H    GLU  66           H        GLU  66  16.775 -16.406   8.565
  492    HA   GLU  66           HA       GLU  66  15.189 -17.740   6.643
  493    HB2  GLU  66           HB2      GLU  66  16.517 -18.502   9.262
  494    HB3  GLU  66           HB3      GLU  66  15.554 -19.699   8.361
  495    HG2  GLU  66           HG2      GLU  66  16.992 -19.293   6.354
  496    HG3  GLU  66           HG3      GLU  66  17.989 -18.196   7.316
  497    H    ASN  67           H        ASN  67  14.233 -16.245   9.646
  498    HA   ASN  67           HA       ASN  67  11.764 -17.729   9.794
  499    HB2  ASN  67           HB2      ASN  67  11.602 -16.962  11.848
  500    HB3  ASN  67           HB3      ASN  67  13.204 -16.268  11.658
  501   HD21  ASN  67          HD22      ASN  67  13.335 -13.971  10.874
  502   HD22  ASN  67          HD21      ASN  67  11.995 -12.906  11.202
  503    H    PHE  68           H        PHE  68  12.875 -15.204   7.737
  504    HA   PHE  68           HA       PHE  68  10.175 -14.064   7.418
  505    HB2  PHE  68           HB2      PHE  68  12.899 -13.014   6.592
  506    HB3  PHE  68           HB3      PHE  68  11.376 -12.270   6.144
  507    HD1  PHE  68           HD2      PHE  68   9.724 -11.599   8.059
  508    HD2  PHE  68           HD1      PHE  68  13.911 -12.403   8.676
  509    HE1  PHE  68           HE2      PHE  68   9.664 -10.300  10.167
  510    HE2  PHE  68           HE1      PHE  68  13.862 -11.059  10.763
  511    HZ   PHE  68           HZ       PHE  68  11.727 -10.020  11.524
  512    H    ASN  69           H        ASN  69   9.666 -13.460   5.050
  513    HA   ASN  69           HA       ASN  69  10.395 -15.587   3.115
  514    HB2  ASN  69           HB2      ASN  69   8.485 -16.367   4.471
  515    HB3  ASN  69           HB3      ASN  69   7.700 -14.784   4.285
  516   HD21  ASN  69          HD22      ASN  69   7.180 -14.099   2.264
  517   HD22  ASN  69          HD21      ASN  69   6.418 -15.211   1.087
  518    H    ALA  70           H        ALA  70  11.512 -14.000   1.857
  519    HA   ALA  70           HA       ALA  70  10.768 -11.364   1.464
  520    HB1  ALA  70           HB1      ALA  70  11.957 -11.607  -0.750
  521    HB2  ALA  70           HB2      ALA  70  12.855 -12.072   0.688
  522    HB3  ALA  70           HB3      ALA  70  12.162 -13.334  -0.388
  523    H    ASP  71           H        ASP  71   9.453 -14.268  -0.040
  524    HA   ASP  71           HA       ASP  71   8.109 -13.204  -2.272
  525    HB2  ASP  71           HB2      ASP  71   7.955 -15.462  -2.283
  526    HB3  ASP  71           HB3      ASP  71   7.848 -15.598  -0.535
  527    H    ASP  72           H        ASP  72   7.335 -12.839   1.146
  528    HA   ASP  72           HA       ASP  72   4.592 -11.966   0.763
  529    HB2  ASP  72           HB2      ASP  72   5.448 -12.892   2.902
  530    HB3  ASP  72           HB3      ASP  72   6.504 -11.497   3.077
  531    H    TYR  73           H        TYR  73   7.629 -10.464   0.207
  532    HA   TYR  73           HA       TYR  73   6.661  -7.719   0.506
  533    HB2  TYR  73           HB2      TYR  73   9.535  -8.745   0.408
  534    HB3  TYR  73           HB3      TYR  73   9.049  -7.089   0.716
  535    HD1  TYR  73           HD1      TYR  73   8.753 -10.557   2.096
  536    HD2  TYR  73           HD2      TYR  73   8.905  -6.358   3.012
  537    HE1  TYR  73           HE1      TYR  73   8.549 -11.102   4.479
  538    HE2  TYR  73           HE2      TYR  73   8.652  -6.889   5.420
  539    HH   TYR  73           HH       TYR  73   8.247 -10.221   6.665
  540    H    ASP  74           H        ASP  74   7.932  -6.208  -1.277
  541    HA   ASP  74           HA       ASP  74   7.916  -7.757  -3.867
  542    HB2  ASP  74           HB2      ASP  74   7.237  -4.845  -3.280
  543    HB3  ASP  74           HB3      ASP  74   7.297  -5.573  -4.880
  544    H    VAL  75           H        VAL  75  10.025  -5.871  -1.803
  545    HA   VAL  75           HA       VAL  75  11.929  -5.569  -4.073
  546    HB   VAL  75           HB       VAL  75  10.651  -3.534  -2.384
  547   HG11  VAL  75          HG11      VAL  75  12.147  -2.006  -2.342
  548   HG12  VAL  75          HG12      VAL  75  13.348  -3.247  -2.760
  549   HG13  VAL  75          HG13      VAL  75  12.608  -2.191  -3.989
  550   HG21  VAL  75          HG21      VAL  75  10.786  -3.751  -5.360
  551   HG22  VAL  75          HG22      VAL  75   9.374  -3.784  -4.298
  552   HG23  VAL  75          HG23      VAL  75  10.255  -2.295  -4.498
  553    H    VAL  76           H        VAL  76  13.959  -6.289  -3.421
  554    HA   VAL  76           HA       VAL  76  14.502  -6.409  -0.504
  555    HB   VAL  76           HB       VAL  76  14.893  -8.375  -2.795
  556   HG11  VAL  76          HG11      VAL  76  17.159  -8.130  -1.748
  557   HG12  VAL  76          HG12      VAL  76  16.450  -8.573  -0.185
  558   HG13  VAL  76          HG13      VAL  76  16.456  -9.709  -1.570
  559   HG21  VAL  76          HG21      VAL  76  13.982  -8.793   0.093
  560   HG22  VAL  76          HG22      VAL  76  12.889  -8.524  -1.269
  561   HG23  VAL  76          HG23      VAL  76  13.915  -9.964  -1.237
  562    H    ILE  77           H        ILE  77  16.183  -5.285   0.070
  563    HA   ILE  77           HA       ILE  77  18.409  -4.834  -1.851
  564    HB   ILE  77           HB       ILE  77  17.339  -3.074   0.394
  565   HG12  ILE  77          HG12      ILE  77  15.965  -2.674  -1.521
  566   HG13  ILE  77          HG13      ILE  77  17.091  -1.343  -1.300
  567   HG21  ILE  77          HG21      ILE  77  19.142  -1.567  -0.102
  568   HG22  ILE  77          HG22      ILE  77  19.810  -3.117   0.356
  569   HG23  ILE  77          HG23      ILE  77  19.802  -2.664  -1.350
  570   HD11  ILE  77          HD11      ILE  77  18.490  -2.228  -3.183
  571   HD12  ILE  77          HD12      ILE  77  17.276  -3.489  -3.449
  572   HD13  ILE  77          HD13      ILE  77  16.845  -1.811  -3.702
  573    H    SER  78           H        SER  78  19.587  -6.701  -1.161
  574    HA   SER  78           HA       SER  78  19.752  -7.133   1.741
  575    HB2  SER  78           HB2      SER  78  21.374  -8.925   1.025
  576    HB3  SER  78           HB3      SER  78  19.662  -9.111   0.518
  577    HG   SER  78           HG       SER  78  21.986  -8.546  -0.891
  578    H    LEU  79           H        LEU  79  21.978  -7.015   2.776
  579    HA   LEU  79           HA       LEU  79  23.818  -5.135   1.435
  580    HB2  LEU  79           HB2      LEU  79  22.824  -4.759   4.300
  581    HB3  LEU  79           HB3      LEU  79  24.233  -3.984   3.571
  582    HG   LEU  79           HG       LEU  79  22.524  -3.119   1.774
  583   HD11  LEU  79          HD11      LEU  79  20.500  -4.267   2.641
  584   HD12  LEU  79          HD12      LEU  79  20.646  -3.392   4.160
  585   HD13  LEU  79          HD13      LEU  79  20.336  -2.515   2.651
  586   HD21  LEU  79          HD21      LEU  79  23.866  -1.683   3.214
  587   HD22  LEU  79          HD22      LEU  79  22.216  -1.062   3.110
  588   HD23  LEU  79          HD23      LEU  79  22.753  -1.938   4.570
  589    H    CYS  80           H        CYS  80  23.784  -7.853   1.450
  590    HA   CYS  80           HA       CYS  80  25.342  -8.848   3.734
  591    HB2  CYS  80           HB2      CYS  80  24.076 -10.386   1.393
  592    HB3  CYS  80           HB3      CYS  80  24.715 -11.035   2.902
  593    HG   CYS  80           HG       CYS  80  23.022  -9.859   4.532
  594    H    GLY  81           H        GLY  81  26.112  -7.259   0.952
  595    HA2  GLY  81           HA2      GLY  81  28.352  -6.900   0.324
  596    HA3  GLY  81           HA3      GLY  81  28.826  -8.488   0.936
  597    H    CYS  82           H        CYS  82  25.973  -8.066  -1.043
  598    HA   CYS  82           HA       CYS  82  25.296  -9.205  -2.894
  599    HB2  CYS  82           HB2      CYS  82  26.458  -7.022  -3.556
  600    HB3  CYS  82           HB3      CYS  82  27.798  -8.019  -4.143
  601    HG   CYS  82           HG       CYS  82  26.389  -9.440  -5.807
  602    H    GLY  83           H        GLY  83  26.597 -11.017  -1.232
  603    HA2  GLY  83           HA2      GLY  83  27.777 -12.971  -3.130
  604    HA3  GLY  83           HA3      GLY  83  28.732 -12.432  -1.741
  605    H    VAL  84           H        VAL  84  25.184 -12.942  -1.806
  606    HA   VAL  84           HA       VAL  84  25.484 -15.283  -0.056
  607    HB   VAL  84           HB       VAL  84  23.483 -13.043   0.253
  608   HG11  VAL  84          HG11      VAL  84  22.676 -14.291   2.221
  609   HG12  VAL  84          HG12      VAL  84  22.407 -15.234   0.755
  610   HG13  VAL  84          HG13      VAL  84  23.761 -15.644   1.834
  611   HG21  VAL  84          HG21      VAL  84  25.582 -12.388   1.161
  612   HG22  VAL  84          HG22      VAL  84  24.658 -13.048   2.554
  613   HG23  VAL  84          HG23      VAL  84  25.918 -14.016   1.797
  614    H    ASN  85           H        ASN  85  24.413 -17.058  -0.824
  615    HA   ASN  85           HA       ASN  85  22.832 -16.902  -3.303
  616    HB2  ASN  85           HB2      ASN  85  23.714 -19.234  -1.551
  617    HB3  ASN  85           HB3      ASN  85  22.649 -19.412  -2.939
  618   HD21  ASN  85          HD22      ASN  85  25.683 -20.142  -2.266
  619   HD22  ASN  85          HD21      ASN  85  26.467 -19.710  -3.764
  620    H    LEU  86           H        LEU  86  21.316 -15.396  -2.199
  621    HA   LEU  86           HA       LEU  86  19.629 -16.179  -0.052
  622    HB2  LEU  86           HB2      LEU  86  19.031 -14.336  -2.401
  623    HB3  LEU  86           HB3      LEU  86  18.065 -14.456  -0.934
  624    HG   LEU  86           HG       LEU  86  20.971 -13.550  -0.965
  625   HD11  LEU  86          HD11      LEU  86  20.135 -11.276  -0.731
  626   HD12  LEU  86          HD12      LEU  86  19.525 -11.987  -2.229
  627   HD13  LEU  86          HD13      LEU  86  18.451 -11.844  -0.822
  628   HD21  LEU  86          HD21      LEU  86  20.175 -14.428   1.244
  629   HD22  LEU  86          HD22      LEU  86  20.506 -12.688   1.283
  630   HD23  LEU  86          HD23      LEU  86  18.826 -13.279   1.185
  631    HA   PRO  87           HA       PRO  87  16.951 -19.230  -2.019
  632    HB2  PRO  87           HB2      PRO  87  14.685 -17.902  -0.588
  633    HB3  PRO  87           HB3      PRO  87  15.137 -19.619  -0.607
  634    HG2  PRO  87           HG2      PRO  87  15.687 -18.002   1.558
  635    HG3  PRO  87           HG3      PRO  87  16.777 -19.326   1.050
  636    HD2  PRO  87           HD2      PRO  87  17.096 -16.371   0.633
  637    HD3  PRO  87           HD3      PRO  87  18.328 -17.636   0.891
  638    HA   PRO  88           HA       PRO  88  15.542 -17.195  -5.454
  639    HB2  PRO  88           HB2      PRO  88  13.332 -18.580  -6.470
  640    HB3  PRO  88           HB3      PRO  88  15.037 -19.107  -6.560
  641    HG2  PRO  88           HG2      PRO  88  12.946 -19.870  -4.507
  642    HG3  PRO  88           HG3      PRO  88  14.089 -20.945  -5.378
  643    HD2  PRO  88           HD2      PRO  88  14.604 -20.109  -2.853
  644    HD3  PRO  88           HD3      PRO  88  15.924 -20.206  -4.058
  645    H    GLU  89           H        GLU  89  12.998 -17.341  -3.013
  646    HA   GLU  89           HA       GLU  89  11.128 -15.638  -4.306
  647    HB2  GLU  89           HB2      GLU  89  10.297 -15.310  -1.980
  648    HB3  GLU  89           HB3      GLU  89  10.401 -16.997  -2.509
  649    HG2  GLU  89           HG2      GLU  89  12.483 -17.288  -1.210
  650    HG3  GLU  89           HG3      GLU  89  12.416 -15.597  -0.706
  651    H    TRP  90           H        TRP  90  14.138 -15.044  -2.699
  652    HA   TRP  90           HA       TRP  90  13.721 -12.256  -2.144
  653    HB2  TRP  90           HB2      TRP  90  16.211 -13.979  -2.298
  654    HB3  TRP  90           HB3      TRP  90  16.221 -12.297  -1.821
  655    HD1  TRP  90           HD1      TRP  90  14.920 -15.705  -0.526
  656    HE1  TRP  90           HE1      TRP  90  14.401 -15.547   1.982
  657    HE3  TRP  90           HE3      TRP  90  15.749 -10.779   0.119
  658    HZ2  TRP  90           HZ2      TRP  90  14.153 -13.445   3.969
  659    HZ3  TRP  90           HZ3      TRP  90  15.284  -9.647   2.234
  660    HH2  TRP  90           HH2      TRP  90  14.462 -10.980   4.211
  661    H    VAL  91           H        VAL  91  14.262 -13.910  -5.132
  662    HA   VAL  91           HA       VAL  91  15.364 -11.432  -6.302
  663    HB   VAL  91           HB       VAL  91  16.435 -12.758  -7.979
  664   HG11  VAL  91          HG11      VAL  91  17.589 -12.235  -5.761
  665   HG12  VAL  91          HG12      VAL  91  17.198 -13.875  -5.233
  666   HG13  VAL  91          HG13      VAL  91  18.259 -13.621  -6.632
  667   HG21  VAL  91          HG21      VAL  91  14.924 -14.776  -7.961
  668   HG22  VAL  91          HG22      VAL  91  16.659 -15.120  -7.992
  669   HG23  VAL  91          HG23      VAL  91  15.764 -15.287  -6.481
  670    H    THR  92           H        THR  92  12.585 -13.511  -6.333
  671    HA   THR  92           HA       THR  92  11.733 -12.796  -9.010
  672    HB   THR  92           HB       THR  92   9.583 -13.858  -8.140
  673    HG1  THR  92           HG1      THR  92   9.580 -14.655  -6.110
  674   HG21  THR  92          HG21      THR  92  11.296 -15.149  -9.326
  675   HG22  THR  92          HG22      THR  92  12.257 -15.327  -7.853
  676   HG23  THR  92          HG23      THR  92  10.672 -16.122  -7.981
  677    H    GLN  93           H        GLN  93  11.846 -11.153  -6.087
  678    HA   GLN  93           HA       GLN  93   9.868  -9.305  -5.854
  679    HB2  GLN  93           HB2      GLN  93  12.901  -9.083  -5.751
  680    HB3  GLN  93           HB3      GLN  93  11.786  -7.997  -4.908
  681    HG2  GLN  93           HG2      GLN  93  12.215 -10.950  -4.304
  682    HG3  GLN  93           HG3      GLN  93  12.891  -9.586  -3.442
  683   HE21  GLN  93          HE22      GLN  93  10.371 -11.772  -3.503
  684   HE22  GLN  93          HE21      GLN  93   9.333 -10.915  -2.355
  685    H    GLU  94           H        GLU  94   9.820  -7.044  -6.572
  686    HA   GLU  94           HA       GLU  94  10.233  -6.541  -9.347
  687    HB2  GLU  94           HB2      GLU  94   8.345  -5.506  -8.426
  688    HB3  GLU  94           HB3      GLU  94   9.144  -5.171  -6.903
  689    HG2  GLU  94           HG2      GLU  94   8.725  -3.128  -7.979
  690    HG3  GLU  94           HG3      GLU  94  10.453  -3.418  -7.824
  691    H    ILE  95           H        ILE  95  11.867  -5.775  -6.256
  692    HA   ILE  95           HA       ILE  95  14.255  -4.899  -7.837
  693    HB   ILE  95           HB       ILE  95  12.951  -3.665  -5.414
  694   HG12  ILE  95          HG12      ILE  95  14.796  -2.206  -7.258
  695   HG13  ILE  95          HG13      ILE  95  13.275  -2.822  -7.980
  696   HG21  ILE  95          HG21      ILE  95  15.961  -3.650  -5.785
  697   HG22  ILE  95          HG22      ILE  95  15.040  -2.532  -4.770
  698   HG23  ILE  95          HG23      ILE  95  15.026  -4.244  -4.389
  699   HD11  ILE  95          HD11      ILE  95  12.980  -0.517  -7.330
  700   HD12  ILE  95          HD12      ILE  95  11.981  -1.545  -6.295
  701   HD13  ILE  95          HD13      ILE  95  13.509  -0.855  -5.677
  702    H    PHE  96           H        PHE  96  16.043  -5.972  -7.477
  703    HA   PHE  96           HA       PHE  96  16.556  -7.180  -4.908
  704    HB2  PHE  96           HB2      PHE  96  15.877  -9.238  -5.759
  705    HB3  PHE  96           HB3      PHE  96  16.567  -8.914  -7.369
  706    HD1  PHE  96           HD1      PHE  96  17.904  -8.619  -3.826
  707    HD2  PHE  96           HD2      PHE  96  18.492 -10.241  -7.787
  708    HE1  PHE  96           HE1      PHE  96  20.159  -9.389  -3.175
  709    HE2  PHE  96           HE2      PHE  96  20.717 -11.093  -7.088
  710    HZ   PHE  96           HZ       PHE  96  21.546 -10.685  -4.781
  711    H    GLU  97           H        GLU  97  18.248  -6.091  -4.412
  712    HA   GLU  97           HA       GLU  97  20.568  -5.812  -6.197
  713    HB2  GLU  97           HB2      GLU  97  19.049  -3.573  -4.815
  714    HB3  GLU  97           HB3      GLU  97  20.785  -3.441  -5.056
  715    HG2  GLU  97           HG2      GLU  97  20.539  -3.495  -7.438
  716    HG3  GLU  97           HG3      GLU  97  18.802  -3.845  -7.318
  717    H    ASP  98           H        ASP  98  22.400  -5.103  -4.668
  718    HA   ASP  98           HA       ASP  98  21.870  -5.690  -1.863
  719    HB2  ASP  98           HB2      ASP  98  22.662  -7.834  -2.633
  720    HB3  ASP  98           HB3      ASP  98  24.145  -7.079  -3.245
  721    H    TRP  99           H        TRP  99  22.382  -3.858  -0.933
  722    HA   TRP  99           HA       TRP  99  24.423  -2.045  -2.065
  723    HB2  TRP  99           HB2      TRP  99  22.451  -1.659   0.207
  724    HB3  TRP  99           HB3      TRP  99  23.596  -0.465  -0.342
  725    HD1  TRP  99           HD1      TRP  99  22.559  -1.759  -3.531
  726    HE1  TRP  99           HE1      TRP  99  20.460  -0.689  -4.487
  727    HE3  TRP  99           HE3      TRP  99  20.951   0.663   0.685
  728    HZ2  TRP  99           HZ2      TRP  99  18.073   0.615  -3.389
  729    HZ3  TRP  99           HZ3      TRP  99  18.663   1.667   0.723
  730    HH2  TRP  99           HH2      TRP  99  17.234   1.556  -1.258
  731    H    GLN 100           H        GLN 100  25.762  -3.932  -1.656
  732    HA   GLN 100           HA       GLN 100  27.035  -4.868   0.513
  733    HB2  GLN 100           HB2      GLN 100  28.966  -5.024  -1.041
  734    HB3  GLN 100           HB3      GLN 100  27.417  -5.503  -1.739
  735    HG2  GLN 100           HG2      GLN 100  27.470  -2.916  -2.622
  736    HG3  GLN 100           HG3      GLN 100  29.194  -3.164  -2.396
  737   HE21  GLN 100          HE22      GLN 100  26.249  -4.434  -4.077
  738   HE22  GLN 100          HE21      GLN 100  27.139  -5.154  -5.400
  739    H    LEU 101           H        LEU 101  26.563  -1.740   0.791
  740    HA   LEU 101           HA       LEU 101  28.980  -0.352   0.385
  741    HB2  LEU 101           HB2      LEU 101  26.341   0.167   1.795
  742    HB3  LEU 101           HB3      LEU 101  27.662   1.232   2.201
  743    HG   LEU 101           HG       LEU 101  26.094   2.107   0.473
  744   HD11  LEU 101          HD11      LEU 101  29.002   1.832  -0.444
  745   HD12  LEU 101          HD12      LEU 101  27.856   3.101  -0.915
  746   HD13  LEU 101          HD13      LEU 101  28.410   2.987   0.763
  747   HD21  LEU 101          HD21      LEU 101  27.432   0.079  -1.395
  748   HD22  LEU 101          HD22      LEU 101  25.742   0.034  -0.845
  749   HD23  LEU 101          HD23      LEU 101  26.314   1.370  -1.852
  750    H    GLU 102           H        GLU 102  30.781  -0.279   1.514
  751    HA   GLU 102           HA       GLU 102  32.322  -0.448   3.075
  752    HB2  GLU 102           HB2      GLU 102  30.360   1.579   3.665
  753    HB3  GLU 102           HB3      GLU 102  30.927   0.964   5.192
  754    HG2  GLU 102           HG2      GLU 102  32.668   1.951   2.899
  755    HG3  GLU 102           HG3      GLU 102  32.298   2.854   4.361
  756    H    ASP 103           H        ASP 103  32.219  -0.433   5.879
  757    HA   ASP 103           HA       ASP 103  30.993  -2.860   6.946
  758    HB2  ASP 103           HB2      ASP 103  32.872  -3.915   5.849
  759    HB3  ASP 103           HB3      ASP 103  33.988  -2.705   6.490
  760    HA   PRO 104           HA       PRO 104  31.822   0.813   9.574
  761    HB2  PRO 104           HB2      PRO 104  29.339   1.255  10.621
  762    HB3  PRO 104           HB3      PRO 104  29.760   1.716   8.944
  763    HG2  PRO 104           HG2      PRO 104  28.375  -0.823   9.881
  764    HG3  PRO 104           HG3      PRO 104  27.866   0.297   8.579
  765    HD2  PRO 104           HD2      PRO 104  29.285  -2.029   8.146
  766    HD3  PRO 104           HD3      PRO 104  29.525  -0.570   7.120
  767    H    ASP 105           H        ASP 105  30.693  -2.364  10.361
  768    HA   ASP 105           HA       ASP 105  30.302  -3.481  12.366
  769    HB2  ASP 105           HB2      ASP 105  32.530  -3.999  11.497
  770    HB3  ASP 105           HB3      ASP 105  33.220  -2.661  12.389
  771    H    GLY 106           H        GLY 106  32.775  -1.887  14.088
  772    HA2  GLY 106           HA2      GLY 106  30.942  -0.142  15.663
  773    HA3  GLY 106           HA3      GLY 106  32.071  -1.240  16.481
  774    H    GLN 107           H        GLN 107  32.415   0.692  13.500
  775    HA   GLN 107           HA       GLN 107  35.100   1.575  14.089
  776    HB2  GLN 107           HB2      GLN 107  33.064   2.269  11.899
  777    HB3  GLN 107           HB3      GLN 107  34.646   2.994  11.973
  778    HG2  GLN 107           HG2      GLN 107  35.476   0.453  12.222
  779    HG3  GLN 107           HG3      GLN 107  33.994   0.161  11.302
  780   HE21  GLN 107          HE22      GLN 107  34.206   0.416   9.027
  781   HE22  GLN 107          HE21      GLN 107  35.406   1.441   8.283
  782    H    SER 108           H        SER 108  35.388   4.026  13.338
  783    HA   SER 108           HA       SER 108  34.729   5.672  15.581
  784    HB2  SER 108           HB2      SER 108  35.681   6.504  12.801
  785    HB3  SER 108           HB3      SER 108  35.845   7.428  14.305
  786    HG   SER 108           HG       SER 108  37.795   6.306  13.756
  787    H    LEU 109           H        LEU 109  33.325   7.553  15.536
  788    HA   LEU 109           HA       LEU 109  30.746   7.131  14.467
  789    HB2  LEU 109           HB2      LEU 109  32.059   9.751  15.305
  790    HB3  LEU 109           HB3      LEU 109  30.352   9.540  14.951
  791    HG   LEU 109           HG       LEU 109  31.903   8.409  17.292
  792   HD11  LEU 109          HD11      LEU 109  29.416  10.183  17.133
  793   HD12  LEU 109          HD12      LEU 109  30.265   9.681  18.608
  794   HD13  LEU 109          HD13      LEU 109  31.071  10.741  17.447
  795   HD21  LEU 109          HD21      LEU 109  30.506   6.558  16.693
  796   HD22  LEU 109          HD22      LEU 109  29.724   7.378  18.041
  797   HD23  LEU 109          HD23      LEU 109  29.107   7.605  16.391
  798    H    GLU 110           H        GLU 110  33.549   8.707  13.005
  799    HA   GLU 110           HA       GLU 110  32.167  10.086  10.931
  800    HB2  GLU 110           HB2      GLU 110  34.954   8.866  11.018
  801    HB3  GLU 110           HB3      GLU 110  34.341   9.897   9.702
  802    HG2  GLU 110           HG2      GLU 110  33.817  11.659  11.377
  803    HG3  GLU 110           HG3      GLU 110  34.577  10.667  12.627
  804    H    VAL 111           H        VAL 111  33.317   6.611  11.101
  805    HA   VAL 111           HA       VAL 111  32.501   6.328   8.365
  806    HB   VAL 111           HB       VAL 111  33.176   4.158  10.420
  807   HG11  VAL 111          HG11      VAL 111  31.858   3.232   8.564
  808   HG12  VAL 111          HG12      VAL 111  32.820   4.139   7.369
  809   HG13  VAL 111          HG13      VAL 111  33.542   2.818   8.265
  810   HG21  VAL 111          HG21      VAL 111  34.868   5.550   8.280
  811   HG22  VAL 111          HG22      VAL 111  35.117   5.620  10.035
  812   HG23  VAL 111          HG23      VAL 111  35.363   4.103   9.168
  813    H    PHE 112           H        PHE 112  31.000   5.512  11.564
  814    HA   PHE 112           HA       PHE 112  28.541   4.569  10.593
  815    HB2  PHE 112           HB2      PHE 112  29.157   6.351  12.959
  816    HB3  PHE 112           HB3      PHE 112  27.521   5.985  12.471
  817    HD1  PHE 112           HD1      PHE 112  30.668   4.409  13.711
  818    HD2  PHE 112           HD2      PHE 112  26.458   3.907  12.910
  819    HE1  PHE 112           HE1      PHE 112  30.669   2.295  14.997
  820    HE2  PHE 112           HE2      PHE 112  26.464   1.812  14.235
  821    HZ   PHE 112           HZ       PHE 112  28.579   0.987  15.261
  822    H    ARG 113           H        ARG 113  29.436   8.077  10.935
  823    HA   ARG 113           HA       ARG 113  27.048   9.122   9.817
  824    HB2  ARG 113           HB2      ARG 113  29.903  10.231   9.747
  825    HB3  ARG 113           HB3      ARG 113  28.501  11.114   9.175
  826    HG2  ARG 113           HG2      ARG 113  27.496  10.956  11.477
  827    HG3  ARG 113           HG3      ARG 113  29.003  10.241  12.050
  828    HD2  ARG 113           HD2      ARG 113  30.265  12.205  11.407
  829    HD3  ARG 113           HD3      ARG 113  28.829  12.954  10.690
  830    HE   ARG 113           HE       ARG 113  27.794  12.806  13.003
  831   HH11  ARG 113          HH11      ARG 113  31.282  13.470  12.515
  832   HH12  ARG 113          HH12      ARG 113  31.472  14.236  14.051
  833   HH21  ARG 113          HH21      ARG 113  28.058  13.744  14.986
  834   HH22  ARG 113          HH22      ARG 113  29.578  14.441  15.499
  835    H    THR 114           H        THR 114  30.115   8.223   8.215
  836    HA   THR 114           HA       THR 114  29.334   9.305   5.708
  837    HB   THR 114           HB       THR 114  31.416   7.177   6.397
  838    HG1  THR 114           HG1      THR 114  31.891   9.041   7.451
  839   HG21  THR 114          HG21      THR 114  31.013   7.126   3.994
  840   HG22  THR 114          HG22      THR 114  31.126   8.900   3.900
  841   HG23  THR 114          HG23      THR 114  32.559   7.923   4.308
  842    H    VAL 115           H        VAL 115  29.123   5.989   7.093
  843    HA   VAL 115           HA       VAL 115  28.416   4.804   4.533
  844    HB   VAL 115           HB       VAL 115  28.241   3.745   7.391
  845   HG11  VAL 115          HG11      VAL 115  26.686   2.443   5.977
  846   HG12  VAL 115          HG12      VAL 115  27.928   2.279   4.718
  847   HG13  VAL 115          HG13      VAL 115  28.144   1.491   6.298
  848   HG21  VAL 115          HG21      VAL 115  30.198   3.337   5.093
  849   HG22  VAL 115          HG22      VAL 115  30.545   4.267   6.529
  850   HG23  VAL 115          HG23      VAL 115  30.303   2.532   6.687
  851    H    ARG 116           H        ARG 116  26.645   5.858   7.459
  852    HA   ARG 116           HA       ARG 116  23.975   5.454   6.736
  853    HB2  ARG 116           HB2      ARG 116  24.701   6.251   8.883
  854    HB3  ARG 116           HB3      ARG 116  25.542   7.610   8.164
  855    HG2  ARG 116           HG2      ARG 116  23.243   8.564   7.541
  856    HG3  ARG 116           HG3      ARG 116  22.607   7.328   8.651
  857    HD2  ARG 116           HD2      ARG 116  22.933   9.025  10.130
  858    HD3  ARG 116           HD3      ARG 116  24.550   8.232  10.208
  859    HE   ARG 116           HE       ARG 116  24.682  10.160   8.164
  860   HH11  ARG 116          HH21      ARG 116  24.105  10.310  11.697
  861   HH12  ARG 116          HH22      ARG 116  25.123  11.706  11.899
  862   HH21  ARG 116          HH11      ARG 116  25.771  12.180   8.463
  863   HH22  ARG 116          HH12      ARG 116  25.877  12.869  10.044
  864    H    GLY 117           H        GLY 117  26.019   8.365   5.829
  865    HA2  GLY 117           HA2      GLY 117  23.936   9.544   4.322
  866    HA3  GLY 117           HA3      GLY 117  25.673   9.882   4.124
  867    H    GLN 118           H        GLN 118  26.555   7.307   3.265
  868    HA   GLN 118           HA       GLN 118  25.890   7.388   0.508
  869    HB2  GLN 118           HB2      GLN 118  27.237   5.236   2.183
  870    HB3  GLN 118           HB3      GLN 118  27.213   5.266   0.410
  871    HG2  GLN 118           HG2      GLN 118  28.367   7.402   0.353
  872    HG3  GLN 118           HG3      GLN 118  28.305   7.560   2.094
  873   HE21  GLN 118          HE22      GLN 118  30.716   7.479   0.276
  874   HE22  GLN 118          HE21      GLN 118  31.708   6.190   0.913
  875    H    VAL 119           H        VAL 119  24.708   5.364   3.160
  876    HA   VAL 119           HA       VAL 119  23.022   3.668   1.556
  877    HB   VAL 119           HB       VAL 119  22.920   4.516   4.487
  878   HG11  VAL 119          HG11      VAL 119  20.620   3.993   3.899
  879   HG12  VAL 119          HG12      VAL 119  21.135   2.467   3.128
  880   HG13  VAL 119          HG13      VAL 119  21.327   2.713   4.889
  881   HG21  VAL 119          HG21      VAL 119  23.548   1.808   3.192
  882   HG22  VAL 119          HG22      VAL 119  24.796   2.953   3.694
  883   HG23  VAL 119          HG23      VAL 119  23.719   2.240   4.907
  884    H    LYS 120           H        LYS 120  22.533   6.928   3.113
  885    HA   LYS 120           HA       LYS 120  19.770   6.969   2.662
  886    HB2  LYS 120           HB2      LYS 120  19.741   9.023   3.501
  887    HB3  LYS 120           HB3      LYS 120  21.309   8.527   4.079
  888    HG2  LYS 120           HG2      LYS 120  22.384  10.206   3.066
  889    HG3  LYS 120           HG3      LYS 120  21.601  10.009   1.536
  890    HD2  LYS 120           HD2      LYS 120  20.283  11.305   3.956
  891    HD3  LYS 120           HD3      LYS 120  21.134  12.215   2.712
  892    HE2  LYS 120           HE2      LYS 120  18.904  10.327   1.861
  893    HE3  LYS 120           HE3      LYS 120  18.471  11.847   2.656
  894    HZ1  LYS 120           HZ1      LYS 120  19.558  13.065   0.925
  895    HZ2  LYS 120           HZ2      LYS 120  20.165  11.716   0.211
  896    HZ3  LYS 120           HZ3      LYS 120  18.549  11.988   0.208
  897    H    GLU 121           H        GLU 121  22.375   8.011   0.473
  898    HA   GLU 121           HA       GLU 121  20.584   8.989  -1.534
  899    HB2  GLU 121           HB2      GLU 121  23.421   7.841  -1.780
  900    HB3  GLU 121           HB3      GLU 121  22.549   8.646  -3.092
  901    HG2  GLU 121           HG2      GLU 121  23.431   9.920  -0.479
  902    HG3  GLU 121           HG3      GLU 121  24.150  10.149  -2.073
  903    H    ARG 122           H        ARG 122  22.039   5.700  -0.988
  904    HA   ARG 122           HA       ARG 122  20.824   4.652  -3.394
  905    HB2  ARG 122           HB2      ARG 122  21.830   3.211  -0.911
  906    HB3  ARG 122           HB3      ARG 122  21.184   2.459  -2.380
  907    HG2  ARG 122           HG2      ARG 122  22.969   4.050  -3.599
  908    HG3  ARG 122           HG3      ARG 122  23.785   3.940  -2.030
  909    HD2  ARG 122           HD2      ARG 122  23.822   1.489  -2.211
  910    HD3  ARG 122           HD3      ARG 122  22.787   1.570  -3.653
  911    HE   ARG 122           HE       ARG 122  25.448   2.911  -3.684
  912   HH11  ARG 122          HH11      ARG 122  23.322   0.399  -5.057
  913   HH12  ARG 122          HH12      ARG 122  24.416  -0.018  -6.324
  914   HH21  ARG 122          HH21      ARG 122  26.882   2.354  -5.382
  915   HH22  ARG 122          HH22      ARG 122  26.469   1.133  -6.521
  916    H    VAL 123           H        VAL 123  19.653   4.761   0.023
  917    HA   VAL 123           HA       VAL 123  17.191   3.488  -0.403
  918    HB   VAL 123           HB       VAL 123  18.040   5.786   1.403
  919   HG11  VAL 123          HG11      VAL 123  15.718   6.062   1.274
  920   HG12  VAL 123          HG12      VAL 123  15.425   4.301   1.298
  921   HG13  VAL 123          HG13      VAL 123  16.020   5.162   2.752
  922   HG21  VAL 123          HG21      VAL 123  18.123   4.152   3.180
  923   HG22  VAL 123          HG22      VAL 123  17.428   2.892   2.148
  924   HG23  VAL 123          HG23      VAL 123  19.078   3.511   1.854
  925    H    GLU 124           H        GLU 124  18.012   6.976  -0.814
  926    HA   GLU 124           HA       GLU 124  15.427   7.653  -1.686
  927    HB2  GLU 124           HB2      GLU 124  17.087   9.090  -0.722
  928    HB3  GLU 124           HB3      GLU 124  18.084   9.006  -2.206
  929    HG2  GLU 124           HG2      GLU 124  16.189   9.964  -3.470
  930    HG3  GLU 124           HG3      GLU 124  15.239  10.039  -1.961
  931    H    ASN 125           H        ASN 125  18.224   6.470  -3.529
  932    HA   ASN 125           HA       ASN 125  17.120   6.916  -6.115
  933    HB2  ASN 125           HB2      ASN 125  19.267   5.114  -5.015
  934    HB3  ASN 125           HB3      ASN 125  18.654   4.797  -6.621
  935   HD21  ASN 125          HD22      ASN 125  20.211   7.368  -4.652
  936   HD22  ASN 125          HD21      ASN 125  20.903   8.210  -6.025
  937    H    LEU 126           H        LEU 126  16.967   4.078  -3.912
  938    HA   LEU 126           HA       LEU 126  15.351   2.465  -5.665
  939    HB2  LEU 126           HB2      LEU 126  16.101   1.117  -4.101
  940    HB3  LEU 126           HB3      LEU 126  16.235   2.418  -2.885
  941    HG   LEU 126           HG       LEU 126  13.475   1.472  -3.403
  942   HD11  LEU 126          HD11      LEU 126  14.632  -0.653  -3.615
  943   HD12  LEU 126          HD12      LEU 126  15.467  -0.331  -2.087
  944   HD13  LEU 126          HD13      LEU 126  13.719  -0.557  -2.101
  945   HD21  LEU 126          HD21      LEU 126  14.322   3.003  -1.483
  946   HD22  LEU 126          HD22      LEU 126  13.231   1.672  -1.046
  947   HD23  LEU 126          HD23      LEU 126  14.988   1.549  -0.764
  948    H    ILE 127           H        ILE 127  14.567   4.838  -3.177
  949    HA   ILE 127           HA       ILE 127  11.718   4.557  -3.280
  950    HB   ILE 127           HB       ILE 127  13.705   6.620  -2.426
  951   HG12  ILE 127          HG12      ILE 127  11.388   5.348  -0.885
  952   HG13  ILE 127          HG13      ILE 127  12.787   4.377  -1.280
  953   HG21  ILE 127          HG21      ILE 127  12.037   8.107  -1.512
  954   HG22  ILE 127          HG22      ILE 127  11.980   8.075  -3.273
  955   HG23  ILE 127          HG23      ILE 127  10.745   7.208  -2.324
  956   HD11  ILE 127          HD11      ILE 127  14.207   6.320  -0.302
  957   HD12  ILE 127          HD12      ILE 127  12.662   6.828   0.405
  958   HD13  ILE 127          HD13      ILE 127  13.321   5.218   0.789
  959    H    ALA 128           H        ALA 128  14.006   6.579  -5.231
  960    HA   ALA 128           HA       ALA 128  11.980   7.848  -6.703
  961    HB1  ALA 128           HB1      ALA 128  14.397   8.563  -6.578
  962    HB2  ALA 128           HB2      ALA 128  14.804   7.194  -7.645
  963    HB3  ALA 128           HB3      ALA 128  13.768   8.499  -8.243
  964    H    LYS 129           H        LYS 129  13.273   4.564  -7.109
  965    HA   LYS 129           HA       LYS 129  12.092   4.204  -9.701
  966    HB2  LYS 129           HB2      LYS 129  12.839   2.133  -7.601
  967    HB3  LYS 129           HB3      LYS 129  12.427   1.788  -9.274
  968    HG2  LYS 129           HG2      LYS 129  14.394   2.931 -10.094
  969    HG3  LYS 129           HG3      LYS 129  14.774   3.559  -8.482
  970    HD2  LYS 129           HD2      LYS 129  15.040   1.258  -7.624
  971    HD3  LYS 129           HD3      LYS 129  14.759   0.621  -9.268
  972    HE2  LYS 129           HE2      LYS 129  16.665   2.274  -9.965
  973    HE3  LYS 129           HE3      LYS 129  17.047   2.344  -8.236
  974    HZ1  LYS 129           HZ1      LYS 129  17.049  -0.138  -9.895
  975    HZ2  LYS 129           HZ2      LYS 129  18.376   0.692  -9.455
  976    HZ3  LYS 129           HZ3      LYS 129  17.508  -0.077  -8.315
  977    H    ILE 130           H        ILE 130  11.028   3.356  -6.370
  978    HA   ILE 130           HA       ILE 130   8.500   2.424  -7.474
  979    HB   ILE 130           HB       ILE 130   8.354   1.631  -4.925
  980   HG12  ILE 130          HG12      ILE 130  11.327   1.667  -5.301
  981   HG13  ILE 130          HG13      ILE 130  10.423   2.694  -4.160
  982   HG21  ILE 130          HG21      ILE 130   9.336  -0.516  -5.796
  983   HG22  ILE 130          HG22      ILE 130   8.332   0.257  -7.013
  984   HG23  ILE 130          HG23      ILE 130  10.111   0.420  -7.108
  985   HD11  ILE 130          HD11      ILE 130   9.525   0.278  -3.342
  986   HD12  ILE 130          HD12      ILE 130  11.037  -0.241  -4.118
  987   HD13  ILE 130          HD13      ILE 130  11.099   0.936  -2.800
  988    H    SER 131           H        SER 131   9.371   5.118  -5.373
  989    HA   SER 131           HA       SER 131   6.718   5.232  -4.234
  990    HB2  SER 131           HB2      SER 131   9.106   7.075  -3.952
  991    HB3  SER 131           HB3      SER 131   7.605   7.189  -3.032
  992    HG   SER 131           HG       SER 131   9.256   4.844  -3.064
  Start of MODEL   11
    1    H    MET   1           H        MET   1   1.486  -0.927   2.233
    2    HA   MET   1           HA       MET   1   1.313   0.541  -0.327
    3    HB2  MET   1           HB2      MET   1   2.013   1.476   2.268
    4    HB3  MET   1           HB3      MET   1   3.554   1.214   1.477
    5    HG2  MET   1           HG2      MET   1   2.779   3.484   1.176
    6    HG3  MET   1           HG3      MET   1   2.833   2.675  -0.391
    7    HE1  MET   1           HE1      MET   1   1.481   5.508   0.266
    8    HE2  MET   1           HE2      MET   1   1.555   4.778  -1.353
    9    HE3  MET   1           HE3      MET   1   0.009   5.375  -0.716
   10    H    LYS   2           H        LYS   2   3.874   0.657  -1.273
   11    HA   LYS   2           HA       LYS   2   4.494  -2.146  -1.792
   12    HB2  LYS   2           HB2      LYS   2   6.582  -1.129  -2.929
   13    HB3  LYS   2           HB3      LYS   2   4.992  -0.780  -3.637
   14    HG2  LYS   2           HG2      LYS   2   5.783   1.189  -1.684
   15    HG3  LYS   2           HG3      LYS   2   7.029   0.965  -2.924
   16    HD2  LYS   2           HD2      LYS   2   5.534   1.596  -4.683
   17    HD3  LYS   2           HD3      LYS   2   4.090   1.338  -3.665
   18    HE2  LYS   2           HE2      LYS   2   4.716   3.214  -2.224
   19    HE3  LYS   2           HE3      LYS   2   6.187   3.492  -3.155
   20    HZ1  LYS   2           HZ1      LYS   2   3.462   3.694  -4.373
   21    HZ2  LYS   2           HZ2      LYS   2   4.237   4.978  -3.719
   22    HZ3  LYS   2           HZ3      LYS   2   4.896   4.235  -4.999
   23    H    LYS   3           H        LYS   3   6.198  -3.344  -0.884
   24    HA   LYS   3           HA       LYS   3   7.074  -2.184   1.723
   25    HB2  LYS   3           HB2      LYS   3   7.136  -5.108   1.147
   26    HB3  LYS   3           HB3      LYS   3   7.021  -4.271   2.689
   27    HG2  LYS   3           HG2      LYS   3   4.638  -3.638   2.069
   28    HG3  LYS   3           HG3      LYS   3   4.834  -4.586   0.585
   29    HD2  LYS   3           HD2      LYS   3   3.618  -5.849   2.282
   30    HD3  LYS   3           HD3      LYS   3   5.139  -6.625   1.840
   31    HE2  LYS   3           HE2      LYS   3   6.218  -5.993   3.857
   32    HE3  LYS   3           HE3      LYS   3   4.888  -4.908   4.327
   33    HZ1  LYS   3           HZ1      LYS   3   3.472  -6.855   4.589
   34    HZ2  LYS   3           HZ2      LYS   3   4.655  -7.871   4.080
   35    HZ3  LYS   3           HZ3      LYS   3   4.814  -7.059   5.498
   36    H    VAL   4           H        VAL   4   9.164  -2.210   2.313
   37    HA   VAL   4           HA       VAL   4  11.099  -3.069   0.254
   38    HB   VAL   4           HB       VAL   4  11.512  -0.850   2.249
   39   HG11  VAL   4          HG11      VAL   4  13.298  -0.198   0.530
   40   HG12  VAL   4          HG12      VAL   4  13.611  -1.661   1.464
   41   HG13  VAL   4          HG13      VAL   4  13.041  -1.806  -0.195
   42   HG21  VAL   4          HG21      VAL   4   9.698  -0.082   0.817
   43   HG22  VAL   4          HG22      VAL   4  11.178   0.713   0.257
   44   HG23  VAL   4          HG23      VAL   4  10.509  -0.664  -0.638
   45    H    MET   5           H        MET   5  13.087  -3.900   1.093
   46    HA   MET   5           HA       MET   5  13.157  -4.696   3.927
   47    HB2  MET   5           HB2      MET   5  12.167  -6.576   2.645
   48    HB3  MET   5           HB3      MET   5  13.561  -6.507   1.539
   49    HG2  MET   5           HG2      MET   5  13.827  -8.330   3.132
   50    HG3  MET   5           HG3      MET   5  15.090  -7.117   3.315
   51    HE1  MET   5           HE1      MET   5  12.431  -9.252   4.961
   52    HE2  MET   5           HE2      MET   5  11.849  -8.316   6.352
   53    HE3  MET   5           HE3      MET   5  11.394  -7.825   4.701
   54    H    PHE   6           H        PHE   6  15.263  -4.641   4.623
   55    HA   PHE   6           HA       PHE   6  17.362  -4.122   2.605
   56    HB2  PHE   6           HB2      PHE   6  17.198  -3.064   5.428
   57    HB3  PHE   6           HB3      PHE   6  18.552  -2.815   4.312
   58    HD1  PHE   6           HD1      PHE   6  15.085  -1.929   5.104
   59    HD2  PHE   6           HD2      PHE   6  18.313  -1.283   2.354
   60    HE1  PHE   6           HE1      PHE   6  13.713  -0.286   3.927
   61    HE2  PHE   6           HE2      PHE   6  17.010   0.538   1.279
   62    HZ   PHE   6           HZ       PHE   6  14.724   1.083   2.073
   63    H    VAL   7           H        VAL   7  19.433  -5.427   3.132
   64    HA   VAL   7           HA       VAL   7  18.856  -7.651   5.062
   65    HB   VAL   7           HB       VAL   7  20.099  -8.074   2.356
   66   HG11  VAL   7          HG11      VAL   7  20.486  -9.838   3.962
   67   HG12  VAL   7          HG12      VAL   7  18.736 -10.036   4.195
   68   HG13  VAL   7          HG13      VAL   7  19.474 -10.370   2.617
   69   HG21  VAL   7          HG21      VAL   7  17.116  -8.268   2.940
   70   HG22  VAL   7          HG22      VAL   7  17.889  -7.194   1.759
   71   HG23  VAL   7          HG23      VAL   7  17.927  -8.939   1.505
   72    H    CYS   8           H        CYS   8  20.604  -8.239   6.268
   73    HA   CYS   8           HA       CYS   8  23.259  -7.066   5.515
   74    HB2  CYS   8           HB2      CYS   8  21.784  -6.178   7.612
   75    HB3  CYS   8           HB3      CYS   8  22.510  -7.581   8.406
   76    HG   CYS   8           HG       CYS   8  23.833  -4.963   6.901
   77    H    LYS   9           H        LYS   9  25.126  -8.275   6.143
   78    HA   LYS   9           HA       LYS   9  24.729 -10.975   7.300
   79    HB2  LYS   9           HB2      LYS   9  24.932 -10.982   4.724
   80    HB3  LYS   9           HB3      LYS   9  26.622 -10.525   4.959
   81    HG2  LYS   9           HG2      LYS   9  26.926 -12.614   6.349
   82    HG3  LYS   9           HG3      LYS   9  25.224 -13.011   6.078
   83    HD2  LYS   9           HD2      LYS   9  25.638 -13.163   3.641
   84    HD3  LYS   9           HD3      LYS   9  27.344 -12.733   3.904
   85    HE2  LYS   9           HE2      LYS   9  27.629 -14.745   5.346
   86    HE3  LYS   9           HE3      LYS   9  25.935 -15.176   5.087
   87    HZ1  LYS   9           HZ1      LYS   9  27.399 -16.413   3.619
   88    HZ2  LYS   9           HZ2      LYS   9  26.448 -15.451   2.713
   89    HZ3  LYS   9           HZ3      LYS   9  28.022 -15.055   2.970
   90    H    ARG  10           H        ARG  10  25.393  -8.562   8.573
   91    HA   ARG  10           HA       ARG  10  28.035  -8.970   9.743
   92    HB2  ARG  10           HB2      ARG  10  27.478  -6.845   7.697
   93    HB3  ARG  10           HB3      ARG  10  28.148  -6.211   9.188
   94    HG2  ARG  10           HG2      ARG  10  29.401  -8.560   7.710
   95    HG3  ARG  10           HG3      ARG  10  29.812  -6.890   7.379
   96    HD2  ARG  10           HD2      ARG  10  31.090  -6.680   9.238
   97    HD3  ARG  10           HD3      ARG  10  29.936  -7.460  10.276
   98    HE   ARG  10           HE       ARG  10  30.905  -9.529   9.951
   99   HH11  ARG  10          HH11      ARG  10  32.531  -7.172   7.799
  100   HH12  ARG  10          HH12      ARG  10  33.940  -8.158   7.602
  101   HH21  ARG  10          HH21      ARG  10  32.745 -10.833   9.619
  102   HH22  ARG  10          HH22      ARG  10  34.047 -10.295   8.624
  103    H    ASN  11           H        ASN  11  28.154  -6.957  11.437
  104    HA   ASN  11           HA       ASN  11  26.008  -7.065  13.258
  105    HB2  ASN  11           HB2      ASN  11  28.253  -6.172  13.789
  106    HB3  ASN  11           HB3      ASN  11  27.973  -4.787  12.722
  107   HD21  ASN  11          HD22      ASN  11  28.708  -4.080  15.209
  108   HD22  ASN  11          HD21      ASN  11  27.328  -3.513  16.127
  109    H    SER  12           H        SER  12  24.007  -6.402  13.071
  110    HA   SER  12           HA       SER  12  22.480  -5.698  11.144
  111    HB2  SER  12           HB2      SER  12  22.224  -4.386  13.883
  112    HB3  SER  12           HB3      SER  12  20.905  -4.870  12.797
  113    HG   SER  12           HG       SER  12  22.370  -6.407  14.567
  114    H    CYS  13           H        CYS  13  24.477  -3.163  12.572
  115    HA   CYS  13           HA       CYS  13  23.173  -0.878  12.336
  116    HB2  CYS  13           HB2      CYS  13  26.036  -1.130  11.324
  117    HB3  CYS  13           HB3      CYS  13  25.295   0.256  12.143
  118    HG   CYS  13           HG       CYS  13  27.021  -0.957  13.715
  119    H    ARG  14           H        ARG  14  25.006  -2.019   9.358
  120    HA   ARG  14           HA       ARG  14  24.151   0.372   8.043
  121    HB2  ARG  14           HB2      ARG  14  25.161  -0.398   6.032
  122    HB3  ARG  14           HB3      ARG  14  26.189  -0.725   7.416
  123    HG2  ARG  14           HG2      ARG  14  25.578  -3.134   7.317
  124    HG3  ARG  14           HG3      ARG  14  24.578  -2.798   5.881
  125    HD2  ARG  14           HD2      ARG  14  26.627  -1.885   4.730
  126    HD3  ARG  14           HD3      ARG  14  27.598  -2.326   6.140
  127    HE   ARG  14           HE       ARG  14  26.121  -4.606   5.146
  128   HH11  ARG  14          HH11      ARG  14  28.908  -2.562   4.313
  129   HH12  ARG  14          HH12      ARG  14  29.797  -3.834   3.570
  130   HH21  ARG  14          HH21      ARG  14  27.217  -6.213   3.886
  131   HH22  ARG  14          HH22      ARG  14  28.900  -6.024   3.508
  132    H    SER  15           H        SER  15  22.710  -2.924   7.687
  133    HA   SER  15           HA       SER  15  20.835  -1.717   5.824
  134    HB2  SER  15           HB2      SER  15  20.439  -4.508   6.700
  135    HB3  SER  15           HB3      SER  15  20.489  -3.763   5.076
  136    HG   SER  15           HG       SER  15  22.352  -4.867   5.134
  137    H    GLN  16           H        GLN  16  20.706  -2.612   9.303
  138    HA   GLN  16           HA       GLN  16  17.824  -2.118   9.347
  139    HB2  GLN  16           HB2      GLN  16  18.878  -3.642  10.938
  140    HB3  GLN  16           HB3      GLN  16  19.807  -2.289  11.645
  141    HG2  GLN  16           HG2      GLN  16  17.751  -1.221  12.366
  142    HG3  GLN  16           HG3      GLN  16  16.781  -2.360  11.429
  143   HE21  GLN  16          HE22      GLN  16  16.152  -4.329  12.349
  144   HE22  GLN  16          HE21      GLN  16  16.620  -4.824  13.950
  145    H    MET  17           H        MET  17  20.755  -0.085   9.635
  146    HA   MET  17           HA       MET  17  19.341   2.299  10.364
  147    HB2  MET  17           HB2      MET  17  21.789   2.256  10.333
  148    HB3  MET  17           HB3      MET  17  21.759   1.808   8.604
  149    HG2  MET  17           HG2      MET  17  22.385   4.067   8.760
  150    HG3  MET  17           HG3      MET  17  20.832   3.981   7.975
  151    HE1  MET  17           HE1      MET  17  18.519   4.203  10.405
  152    HE2  MET  17           HE2      MET  17  18.636   5.912  10.913
  153    HE3  MET  17           HE3      MET  17  18.535   5.522   9.197
  154    H    ALA  18           H        ALA  18  19.986   0.651   7.235
  155    HA   ALA  18           HA       ALA  18  18.886   2.707   5.673
  156    HB1  ALA  18           HB1      ALA  18  20.282   0.728   4.946
  157    HB2  ALA  18           HB2      ALA  18  18.816  -0.268   5.041
  158    HB3  ALA  18           HB3      ALA  18  18.883   1.084   3.884
  159    H    GLU  19           H        GLU  19  17.255  -0.068   7.287
  160    HA   GLU  19           HA       GLU  19  14.604   0.624   6.509
  161    HB2  GLU  19           HB2      GLU  19  15.098  -1.480   7.566
  162    HB3  GLU  19           HB3      GLU  19  15.705  -0.669   9.010
  163    HG2  GLU  19           HG2      GLU  19  13.397   0.221   9.432
  164    HG3  GLU  19           HG3      GLU  19  12.830  -0.713   8.041
  165    H    GLY  20           H        GLY  20  16.703   2.014   9.163
  166    HA2  GLY  20           HA2      GLY  20  14.549   3.412  10.441
  167    HA3  GLY  20           HA3      GLY  20  16.283   3.751  10.575
  168    H    PHE  21           H        PHE  21  17.001   4.405   7.982
  169    HA   PHE  21           HA       PHE  21  15.961   7.121   7.722
  170    HB2  PHE  21           HB2      PHE  21  17.774   5.370   6.038
  171    HB3  PHE  21           HB3      PHE  21  17.132   6.875   5.386
  172    HD1  PHE  21           HD2      PHE  21  17.324   8.985   7.140
  173    HD2  PHE  21           HD1      PHE  21  19.989   5.603   6.839
  174    HE1  PHE  21           HE2      PHE  21  19.154  10.323   8.127
  175    HE2  PHE  21           HE1      PHE  21  21.785   6.922   7.759
  176    HZ   PHE  21           HZ       PHE  21  21.391   9.314   8.468
  177    H    ALA  22           H        ALA  22  15.292   3.978   6.078
  178    HA   ALA  22           HA       ALA  22  13.636   5.248   4.127
  179    HB1  ALA  22           HB1      ALA  22  13.918   2.351   4.996
  180    HB2  ALA  22           HB2      ALA  22  13.008   2.886   3.552
  181    HB3  ALA  22           HB3      ALA  22  14.766   3.140   3.672
  182    H    LYS  23           H        LYS  23  12.765   3.723   7.297
  183    HA   LYS  23           HA       LYS  23   9.962   4.146   6.895
  184    HB2  LYS  23           HB2      LYS  23   9.646   3.390   9.055
  185    HB3  LYS  23           HB3      LYS  23  11.128   2.569   8.555
  186    HG2  LYS  23           HG2      LYS  23  12.436   4.308   9.809
  187    HG3  LYS  23           HG3      LYS  23  10.916   5.038  10.347
  188    HD2  LYS  23           HD2      LYS  23  10.337   2.832  11.434
  189    HD3  LYS  23           HD3      LYS  23  11.975   2.272  11.016
  190    HE2  LYS  23           HE2      LYS  23  12.898   4.300  12.256
  191    HE3  LYS  23           HE3      LYS  23  11.248   4.695  12.749
  192    HZ1  LYS  23           HZ1      LYS  23  12.385   3.487  14.477
  193    HZ2  LYS  23           HZ2      LYS  23  11.196   2.516  13.897
  194    HZ3  LYS  23           HZ3      LYS  23  12.781   2.273  13.451
  195    H    THR  24           H        THR  24  12.530   6.249   7.987
  196    HA   THR  24           HA       THR  24  10.906   8.379   9.026
  197    HB   THR  24           HB       THR  24  13.760   7.828   8.200
  198    HG1  THR  24           HG1      THR  24  13.469   7.127  10.151
  199   HG21  THR  24          HG21      THR  24  12.886  10.571   9.068
  200   HG22  THR  24          HG22      THR  24  14.559   9.943   8.983
  201   HG23  THR  24          HG23      THR  24  13.606  10.079   7.503
  202    H    LEU  25           H        LEU  25  12.691   7.887   5.974
  203    HA   LEU  25           HA       LEU  25  11.790  10.386   4.871
  204    HB2  LEU  25           HB2      LEU  25  13.529   8.124   3.929
  205    HB3  LEU  25           HB3      LEU  25  13.193   9.524   2.897
  206    HG   LEU  25           HG       LEU  25  14.546   9.608   5.602
  207   HD11  LEU  25          HD11      LEU  25  15.933   8.454   3.878
  208   HD12  LEU  25          HD12      LEU  25  15.700   9.845   2.792
  209   HD13  LEU  25          HD13      LEU  25  16.620  10.023   4.307
  210   HD21  LEU  25          HD21      LEU  25  14.171  11.777   3.487
  211   HD22  LEU  25          HD22      LEU  25  13.455  11.755   5.115
  212   HD23  LEU  25          HD23      LEU  25  15.200  11.925   4.931
  213    H    GLY  26           H        GLY  26  10.906   6.998   4.498
  214    HA2  GLY  26           HA2      GLY  26   9.202   7.439   2.115
  215    HA3  GLY  26           HA3      GLY  26   9.766   5.903   2.811
  216    H    ALA  27           H        ALA  27   8.627   8.238   5.084
  217    HA   ALA  27           HA       ALA  27   6.870   6.411   6.289
  218    HB1  ALA  27           HB1      ALA  27   6.974   9.456   6.593
  219    HB2  ALA  27           HB2      ALA  27   6.294   8.298   7.759
  220    HB3  ALA  27           HB3      ALA  27   8.038   8.317   7.438
  221    H    GLY  28           H        GLY  28   4.893   5.767   5.737
  222    HA2  GLY  28           HA2      GLY  28   2.705   5.863   5.048
  223    HA3  GLY  28           HA3      GLY  28   2.859   7.621   4.838
  224    H    LYS  29           H        LYS  29   5.290   5.942   3.113
  225    HA   LYS  29           HA       LYS  29   3.761   6.065   0.586
  226    HB2  LYS  29           HB2      LYS  29   6.608   6.837   1.202
  227    HB3  LYS  29           HB3      LYS  29   5.915   6.765  -0.424
  228    HG2  LYS  29           HG2      LYS  29   4.853   8.520   1.818
  229    HG3  LYS  29           HG3      LYS  29   6.022   9.075   0.619
  230    HD2  LYS  29           HD2      LYS  29   4.351   8.593  -1.193
  231    HD3  LYS  29           HD3      LYS  29   3.163   8.127   0.047
  232    HE2  LYS  29           HE2      LYS  29   3.341  10.387   1.069
  233    HE3  LYS  29           HE3      LYS  29   4.527  10.855  -0.156
  234    HZ1  LYS  29           HZ1      LYS  29   1.698  10.132  -0.709
  235    HZ2  LYS  29           HZ2      LYS  29   2.325  11.638  -0.742
  236    HZ3  LYS  29           HZ3      LYS  29   2.803  10.543  -1.851
  237    H    ILE  30           H        ILE  30   6.126   4.397   2.616
  238    HA   ILE  30           HA       ILE  30   5.739   1.984   0.962
  239    HB   ILE  30           HB       ILE  30   8.153   1.422   1.361
  240   HG12  ILE  30          HG12      ILE  30   8.764   4.361   1.648
  241   HG13  ILE  30          HG13      ILE  30   8.430   3.409   3.091
  242   HG21  ILE  30          HG21      ILE  30   9.022   2.719  -0.549
  243   HG22  ILE  30          HG22      ILE  30   7.409   2.059  -0.830
  244   HG23  ILE  30          HG23      ILE  30   7.617   3.793  -0.484
  245   HD11  ILE  30          HD11      ILE  30  10.791   3.432   2.808
  246   HD12  ILE  30          HD12      ILE  30  10.233   1.795   2.432
  247   HD13  ILE  30          HD13      ILE  30  10.682   2.915   1.113
  248    H    ALA  31           H        ALA  31   6.314   0.092   2.154
  249    HA   ALA  31           HA       ALA  31   6.102   0.393   5.154
  250    HB1  ALA  31           HB1      ALA  31   4.346  -1.091   4.188
  251    HB2  ALA  31           HB2      ALA  31   5.610  -2.064   3.401
  252    HB3  ALA  31           HB3      ALA  31   5.509  -2.011   5.170
  253    H    VAL  32           H        VAL  32   7.946  -0.422   6.306
  254    HA   VAL  32           HA       VAL  32  10.255  -1.114   4.602
  255    HB   VAL  32           HB       VAL  32  10.386   0.691   7.001
  256   HG11  VAL  32          HG11      VAL  32  12.278   1.566   6.043
  257   HG12  VAL  32          HG12      VAL  32  12.431  -0.170   5.811
  258   HG13  VAL  32          HG13      VAL  32  11.920   0.866   4.431
  259   HG21  VAL  32          HG21      VAL  32  10.253   2.677   5.290
  260   HG22  VAL  32          HG22      VAL  32   9.305   1.559   4.333
  261   HG23  VAL  32          HG23      VAL  32   8.758   2.003   5.953
  262    H    THR  33           H        THR  33  11.765  -2.571   5.416
  263    HA   THR  33           HA       THR  33  11.598  -3.559   8.204
  264    HB   THR  33           HB       THR  33  11.617  -5.751   6.313
  265    HG1  THR  33           HG1      THR  33  10.269  -4.464   5.012
  266   HG21  THR  33          HG21      THR  33  11.106  -5.982   8.708
  267   HG22  THR  33          HG22      THR  33   9.646  -4.987   8.495
  268   HG23  THR  33          HG23      THR  33   9.772  -6.577   7.709
  269    H    SER  34           H        SER  34  13.584  -5.043   8.703
  270    HA   SER  34           HA       SER  34  15.538  -5.182   6.506
  271    HB2  SER  34           HB2      SER  34  17.429  -4.582   7.923
  272    HB3  SER  34           HB3      SER  34  16.322  -3.229   7.711
  273    HG   SER  34           HG       SER  34  15.505  -3.571   9.782
  274    H    CYS  35           H        CYS  35  17.275  -6.959   6.966
  275    HA   CYS  35           HA       CYS  35  16.431  -8.833   9.082
  276    HB2  CYS  35           HB2      CYS  35  16.071 -10.665   7.443
  277    HB3  CYS  35           HB3      CYS  35  14.901  -9.341   7.268
  278    HG   CYS  35           HG       CYS  35  16.139  -8.101   5.328
  279    H    GLY  36           H        GLY  36  17.847 -10.711   9.210
  280    HA2  GLY  36           HA2      GLY  36  20.047 -11.733   8.630
  281    HA3  GLY  36           HA3      GLY  36  20.672 -10.093   8.397
  282    H    LEU  37           H        LEU  37  20.929  -8.685  10.234
  283    HA   LEU  37           HA       LEU  37  21.409  -8.136  12.260
  284    HB2  LEU  37           HB2      LEU  37  18.818  -9.578  12.894
  285    HB3  LEU  37           HB3      LEU  37  19.854  -8.938  14.157
  286    HG   LEU  37           HG       LEU  37  19.688  -6.787  12.369
  287   HD11  LEU  37          HD11      LEU  37  17.793  -7.826  11.157
  288   HD12  LEU  37          HD12      LEU  37  16.847  -7.835  12.658
  289   HD13  LEU  37          HD13      LEU  37  17.364  -6.307  11.947
  290   HD21  LEU  37          HD21      LEU  37  18.171  -7.327  14.951
  291   HD22  LEU  37          HD22      LEU  37  19.767  -6.619  14.792
  292   HD23  LEU  37          HD23      LEU  37  18.373  -5.737  14.194
  293    H    GLU  38           H        GLU  38  23.202  -9.546  11.401
  294    HA   GLU  38           HA       GLU  38  23.491 -12.137  12.538
  295    HB2  GLU  38           HB2      GLU  38  25.601 -10.293  11.388
  296    HB3  GLU  38           HB3      GLU  38  25.885 -11.960  11.853
  297    HG2  GLU  38           HG2      GLU  38  23.893 -11.057   9.744
  298    HG3  GLU  38           HG3      GLU  38  25.487 -11.754   9.432
  299    H    SER  39           H        SER  39  23.759  -9.025  13.924
  300    HA   SER  39           HA       SER  39  25.502  -9.965  16.127
  301    HB2  SER  39           HB2      SER  39  24.805  -7.576  17.024
  302    HB3  SER  39           HB3      SER  39  26.027  -7.800  15.764
  303    HG   SER  39           HG       SER  39  24.488  -6.170  15.284
  304    H    SER  40           H        SER  40  22.931 -11.128  15.378
  305    HA   SER  40           HA       SER  40  21.304 -12.331  16.198
  306    HB2  SER  40           HB2      SER  40  22.423 -11.745  18.958
  307    HB3  SER  40           HB3      SER  40  21.339 -13.067  18.506
  308    HG   SER  40           HG       SER  40  23.547 -13.744  18.564
  309    H    ARG  41           H        ARG  41  21.534  -9.171  17.842
  310    HA   ARG  41           HA       ARG  41  18.623  -8.809  17.549
  311    HB2  ARG  41           HB2      ARG  41  20.090  -8.483  20.226
  312    HB3  ARG  41           HB3      ARG  41  18.484  -7.870  19.884
  313    HG2  ARG  41           HG2      ARG  41  17.789  -9.749  20.855
  314    HG3  ARG  41           HG3      ARG  41  18.000 -10.426  19.243
  315    HD2  ARG  41           HD2      ARG  41  20.365 -11.110  19.996
  316    HD3  ARG  41           HD3      ARG  41  19.907 -10.565  21.618
  317    HE   ARG  41           HE       ARG  41  17.948 -12.387  20.594
  318   HH11  ARG  41          HH11      ARG  41  21.232 -12.380  21.970
  319   HH12  ARG  41          HH12      ARG  41  21.158 -14.016  22.514
  320   HH21  ARG  41          HH21      ARG  41  17.835 -14.550  21.352
  321   HH22  ARG  41          HH22      ARG  41  19.171 -15.268  22.172
  322    H    VAL  42           H        VAL  42  18.251  -6.421  18.451
  323    HA   VAL  42           HA       VAL  42  19.573  -4.485  16.918
  324    HB   VAL  42           HB       VAL  42  17.937  -4.515  19.431
  325   HG11  VAL  42          HG11      VAL  42  18.919  -2.017  18.050
  326   HG12  VAL  42          HG12      VAL  42  17.665  -2.062  19.320
  327   HG13  VAL  42          HG13      VAL  42  19.320  -2.515  19.718
  328   HG21  VAL  42          HG21      VAL  42  16.794  -5.017  17.263
  329   HG22  VAL  42          HG22      VAL  42  16.181  -3.549  18.026
  330   HG23  VAL  42          HG23      VAL  42  17.306  -3.436  16.655
  331    H    HIS  43           H        HIS  43  21.009  -2.919  17.407
  332    HA   HIS  43           HA       HIS  43  23.078  -3.607  19.433
  333    HB2  HIS  43           HB2      HIS  43  23.583  -4.376  17.150
  334    HB3  HIS  43           HB3      HIS  43  23.339  -2.754  16.526
  335    HD1  HIS  43           HD1      HIS  43  25.724  -4.489  19.115
  336    HD2  HIS  43           HD2      HIS  43  25.485  -1.266  16.416
  337    HE1  HIS  43           HE1      HIS  43  28.008  -3.366  19.125
  338    HA   PRO  44           HA       PRO  44  21.634   0.465  20.538
  339    HB2  PRO  44           HB2      PRO  44  23.152   1.021  22.730
  340    HB3  PRO  44           HB3      PRO  44  21.925  -0.291  22.733
  341    HG2  PRO  44           HG2      PRO  44  24.884  -0.519  22.060
  342    HG3  PRO  44           HG3      PRO  44  24.001  -1.423  23.360
  343    HD2  PRO  44           HD2      PRO  44  24.291  -2.608  20.981
  344    HD3  PRO  44           HD3      PRO  44  22.641  -2.597  21.700
  345    H    THR  45           H        THR  45  25.177  -0.046  19.826
  346    HA   THR  45           HA       THR  45  25.726   2.694  19.874
  347    HB   THR  45           HB       THR  45  27.010   0.644  18.026
  348    HG1  THR  45           HG1      THR  45  28.328   0.214  19.694
  349   HG21  THR  45          HG21      THR  45  29.001   2.226  18.145
  350   HG22  THR  45          HG22      THR  45  27.643   2.874  17.249
  351   HG23  THR  45          HG23      THR  45  27.935   3.443  18.892
  352    H    ALA  46           H        ALA  46  24.178   0.625  17.365
  353    HA   ALA  46           HA       ALA  46  24.334   2.627  15.313
  354    HB1  ALA  46           HB1      ALA  46  22.224   0.430  15.507
  355    HB2  ALA  46           HB2      ALA  46  22.822   1.257  14.040
  356    HB3  ALA  46           HB3      ALA  46  23.871   0.148  14.922
  357    H    ILE  47           H        ILE  47  21.967   1.862  17.868
  358    HA   ILE  47           HA       ILE  47  19.992   3.777  17.124
  359    HB   ILE  47           HB       ILE  47  20.723   2.455  19.690
  360   HG12  ILE  47          HG12      ILE  47  18.343   1.724  19.549
  361   HG13  ILE  47          HG13      ILE  47  18.238   2.476  17.950
  362   HG21  ILE  47          HG21      ILE  47  18.758   3.519  20.816
  363   HG22  ILE  47          HG22      ILE  47  20.033   4.677  20.492
  364   HG23  ILE  47          HG23      ILE  47  18.594   4.628  19.438
  365   HD11  ILE  47          HD11      ILE  47  19.961   0.125  18.830
  366   HD12  ILE  47          HD12      ILE  47  18.521   0.106  17.791
  367   HD13  ILE  47          HD13      ILE  47  20.024   0.833  17.197
  368    H    ALA  48           H        ALA  48  22.839   4.125  19.353
  369    HA   ALA  48           HA       ALA  48  22.405   6.841  19.962
  370    HB1  ALA  48           HB1      ALA  48  24.150   5.444  21.066
  371    HB2  ALA  48           HB2      ALA  48  25.093   5.464  19.537
  372    HB3  ALA  48           HB3      ALA  48  24.791   6.976  20.421
  373    H    MET  49           H        MET  49  24.199   5.360  17.288
  374    HA   MET  49           HA       MET  49  25.200   7.740  16.161
  375    HB2  MET  49           HB2      MET  49  24.694   5.058  14.899
  376    HB3  MET  49           HB3      MET  49  25.627   6.374  14.181
  377    HG2  MET  49           HG2      MET  49  26.462   4.381  16.014
  378    HG3  MET  49           HG3      MET  49  27.419   5.638  15.222
  379    HE1  MET  49           HE1      MET  49  27.306   8.176  16.283
  380    HE2  MET  49           HE2      MET  49  28.198   8.172  17.824
  381    HE3  MET  49           HE3      MET  49  28.817   7.248  16.425
  382    H    MET  50           H        MET  50  22.016   6.286  15.986
  383    HA   MET  50           HA       MET  50  21.279   7.944  13.655
  384    HB2  MET  50           HB2      MET  50  19.669   5.897  15.208
  385    HB3  MET  50           HB3      MET  50  19.200   6.687  13.701
  386    HG2  MET  50           HG2      MET  50  20.776   4.333  14.110
  387    HG3  MET  50           HG3      MET  50  20.034   4.913  12.666
  388    HE1  MET  50           HE1      MET  50  22.180   3.149  12.400
  389    HE2  MET  50           HE2      MET  50  23.708   3.803  11.728
  390    HE3  MET  50           HE3      MET  50  23.543   3.566  13.475
  391    H    GLU  51           H        GLU  51  20.882   7.716  17.162
  392    HA   GLU  51           HA       GLU  51  18.992   9.797  17.479
  393    HB2  GLU  51           HB2      GLU  51  19.753   8.050  19.192
  394    HB3  GLU  51           HB3      GLU  51  21.254   8.937  19.374
  395    HG2  GLU  51           HG2      GLU  51  19.835   9.575  21.171
  396    HG3  GLU  51           HG3      GLU  51  19.920  10.958  20.095
  397    H    GLU  52           H        GLU  52  22.476   9.801  16.879
  398    HA   GLU  52           HA       GLU  52  23.067  12.523  17.290
  399    HB2  GLU  52           HB2      GLU  52  24.081  10.653  15.118
  400    HB3  GLU  52           HB3      GLU  52  24.718  12.261  15.422
  401    HG2  GLU  52           HG2      GLU  52  25.206  11.399  17.834
  402    HG3  GLU  52           HG3      GLU  52  25.050   9.790  17.123
  403    H    VAL  53           H        VAL  53  20.993  11.085  14.844
  404    HA   VAL  53           HA       VAL  53  20.741  13.673  13.432
  405    HB   VAL  53           HB       VAL  53  20.408  12.315  11.395
  406   HG11  VAL  53          HG11      VAL  53  22.780  11.985  10.912
  407   HG12  VAL  53          HG12      VAL  53  22.552  13.460  11.858
  408   HG13  VAL  53          HG13      VAL  53  23.162  11.990  12.649
  409   HG21  VAL  53          HG21      VAL  53  21.247  10.051  11.176
  410   HG22  VAL  53          HG22      VAL  53  21.649   9.992  12.902
  411   HG23  VAL  53          HG23      VAL  53  19.946  10.089  12.363
  412    H    GLY  54           H        GLY  54  19.187  12.054  15.666
  413    HA2  GLY  54           HA2      GLY  54  17.023  12.140  16.355
  414    HA3  GLY  54           HA3      GLY  54  16.673  13.189  14.969
  415    H    ILE  55           H        ILE  55  17.843   9.768  14.903
  416    HA   ILE  55           HA       ILE  55  15.249   8.881  13.827
  417    HB   ILE  55           HB       ILE  55  17.948   8.158  12.656
  418   HG12  ILE  55          HG12      ILE  55  15.528   9.751  11.688
  419   HG13  ILE  55          HG13      ILE  55  17.175  10.347  11.952
  420   HG21  ILE  55          HG21      ILE  55  16.591   6.756  11.065
  421   HG22  ILE  55          HG22      ILE  55  16.549   6.138  12.688
  422   HG23  ILE  55          HG23      ILE  55  15.154   7.059  12.050
  423   HD11  ILE  55          HD11      ILE  55  16.943  10.092   9.634
  424   HD12  ILE  55          HD12      ILE  55  17.926   8.705  10.183
  425   HD13  ILE  55          HD13      ILE  55  16.192   8.492   9.809
  426    H    ASP  56           H        ASP  56  14.832   6.631  14.318
  427    HA   ASP  56           HA       ASP  56  16.424   5.454  16.534
  428    HB2  ASP  56           HB2      ASP  56  14.483   4.935  17.725
  429    HB3  ASP  56           HB3      ASP  56  14.195   6.586  17.171
  430    H    ILE  57           H        ILE  57  16.660   3.202  16.396
  431    HA   ILE  57           HA       ILE  57  15.197   1.673  14.419
  432    HB   ILE  57           HB       ILE  57  17.250   0.566  13.619
  433   HG12  ILE  57          HG12      ILE  57  18.744   2.896  14.900
  434   HG13  ILE  57          HG13      ILE  57  18.882   1.174  15.299
  435   HG21  ILE  57          HG21      ILE  57  17.319   3.510  12.877
  436   HG22  ILE  57          HG22      ILE  57  17.629   2.082  11.847
  437   HG23  ILE  57          HG23      ILE  57  16.002   2.432  12.404
  438   HD11  ILE  57          HD11      ILE  57  19.776   0.744  13.010
  439   HD12  ILE  57          HD12      ILE  57  19.698   2.501  12.674
  440   HD13  ILE  57          HD13      ILE  57  20.745   1.904  13.961
  441    H    SER  58           H        SER  58  15.632   2.081  17.503
  442    HA   SER  58           HA       SER  58  16.180  -0.599  18.393
  443    HB2  SER  58           HB2      SER  58  14.806   0.687  20.401
  444    HB3  SER  58           HB3      SER  58  16.558   0.751  20.161
  445    HG   SER  58           HG       SER  58  15.518   2.856  20.402
  446    H    GLY  59           H        GLY  59  14.441  -1.996  19.217
  447    HA2  GLY  59           HA2      GLY  59  12.401  -3.016  19.081
  448    HA3  GLY  59           HA3      GLY  59  11.675  -1.460  18.654
  449    H    GLN  60           H        GLN  60  14.049  -1.807  16.303
  450    HA   GLN  60           HA       GLN  60  12.252  -2.947  14.346
  451    HB2  GLN  60           HB2      GLN  60  15.150  -2.032  14.219
  452    HB3  GLN  60           HB3      GLN  60  14.368  -2.827  12.859
  453    HG2  GLN  60           HG2      GLN  60  12.523  -1.197  12.896
  454    HG3  GLN  60           HG3      GLN  60  13.240  -0.387  14.308
  455   HE21  GLN  60          HE22      GLN  60  15.155  -1.370  11.393
  456   HE22  GLN  60          HE21      GLN  60  15.707   0.269  11.124
  457    H    THR  61           H        THR  61  13.714  -4.648  12.850
  458    HA   THR  61           HA       THR  61  12.956  -7.079  13.839
  459    HB   THR  61           HB       THR  61  14.480  -7.794  11.811
  460    HG1  THR  61           HG1      THR  61  15.015  -6.019  10.527
  461   HG21  THR  61          HG21      THR  61  11.979  -7.526  11.799
  462   HG22  THR  61          HG22      THR  61  12.198  -5.803  11.401
  463   HG23  THR  61          HG23      THR  61  12.741  -7.074  10.278
  464    H    SER  62           H        SER  62  14.118  -9.033  14.059
  465    HA   SER  62           HA       SER  62  16.911  -9.044  14.899
  466    HB2  SER  62           HB2      SER  62  16.208 -10.170  17.107
  467    HB3  SER  62           HB3      SER  62  16.037  -8.418  16.982
  468    HG   SER  62           HG       SER  62  14.168  -9.418  17.910
  469    H    ASP  63           H        ASP  63  15.763 -10.144  12.556
  470    HA   ASP  63           HA       ASP  63  15.700 -13.058  13.126
  471    HB2  ASP  63           HB2      ASP  63  13.531 -11.451  11.735
  472    HB3  ASP  63           HB3      ASP  63  13.758 -13.176  11.487
  473    HA   PRO  64           HA       PRO  64  18.185 -13.134   9.510
  474    HB2  PRO  64           HB2      PRO  64  18.131 -15.755   8.794
  475    HB3  PRO  64           HB3      PRO  64  18.820 -15.206  10.349
  476    HG2  PRO  64           HG2      PRO  64  16.038 -16.306   9.843
  477    HG3  PRO  64           HG3      PRO  64  17.210 -16.800  11.108
  478    HD2  PRO  64           HD2      PRO  64  15.222 -15.001  11.615
  479    HD3  PRO  64           HD3      PRO  64  16.840 -14.855  12.359
  480    H    ILE  65           H        ILE  65  18.281 -13.721   7.167
  481    HA   ILE  65           HA       ILE  65  16.084 -12.663   5.728
  482    HB   ILE  65           HB       ILE  65  18.442 -12.522   5.001
  483   HG12  ILE  65          HG12      ILE  65  16.549 -13.876   3.048
  484   HG13  ILE  65          HG13      ILE  65  16.866 -12.160   3.298
  485   HG21  ILE  65          HG21      ILE  65  19.182 -14.843   5.756
  486   HG22  ILE  65          HG22      ILE  65  18.391 -15.491   4.305
  487   HG23  ILE  65          HG23      ILE  65  19.750 -14.364   4.168
  488   HD11  ILE  65          HD11      ILE  65  19.209 -12.566   2.380
  489   HD12  ILE  65          HD12      ILE  65  18.692 -14.218   1.995
  490   HD13  ILE  65          HD13      ILE  65  17.872 -12.850   1.240
  491    H    GLU  66           H        GLU  66  17.078 -15.980   6.374
  492    HA   GLU  66           HA       GLU  66  15.365 -17.097   4.439
  493    HB2  GLU  66           HB2      GLU  66  16.134 -19.216   5.320
  494    HB3  GLU  66           HB3      GLU  66  17.476 -18.049   5.339
  495    HG2  GLU  66           HG2      GLU  66  17.189 -17.687   7.742
  496    HG3  GLU  66           HG3      GLU  66  15.811 -18.788   7.779
  497    H    ASN  67           H        ASN  67  14.601 -15.967   7.616
  498    HA   ASN  67           HA       ASN  67  12.186 -17.524   7.835
  499    HB2  ASN  67           HB2      ASN  67  12.140 -16.815   9.930
  500    HB3  ASN  67           HB3      ASN  67  13.670 -15.994   9.657
  501   HD21  ASN  67          HD22      ASN  67  13.583 -13.716   8.863
  502   HD22  ASN  67          HD21      ASN  67  12.205 -12.728   9.275
  503    H    PHE  68           H        PHE  68  13.170 -14.711   5.986
  504    HA   PHE  68           HA       PHE  68  10.424 -13.686   5.830
  505    HB2  PHE  68           HB2      PHE  68  13.082 -12.533   4.920
  506    HB3  PHE  68           HB3      PHE  68  11.535 -11.818   4.527
  507    HD1  PHE  68           HD2      PHE  68   9.902 -11.301   6.528
  508    HD2  PHE  68           HD1      PHE  68  14.139 -11.912   6.971
  509    HE1  PHE  68           HE2      PHE  68   9.856 -10.044   8.656
  510    HE2  PHE  68           HE1      PHE  68  14.090 -10.643   9.118
  511    HZ   PHE  68           HZ       PHE  68  11.952  -9.696   9.958
  512    H    ASN  69           H        ASN  69   9.759 -12.963   3.560
  513    HA   ASN  69           HA       ASN  69  10.413 -14.890   1.397
  514    HB2  ASN  69           HB2      ASN  69   8.571 -15.917   2.644
  515    HB3  ASN  69           HB3      ASN  69   7.771 -14.345   2.817
  516   HD21  ASN  69          HD22      ASN  69   6.880 -13.346   1.121
  517   HD22  ASN  69          HD21      ASN  69   6.172 -14.248  -0.248
  518    H    ALA  70           H        ALA  70  11.425 -13.127   0.306
  519    HA   ALA  70           HA       ALA  70  10.594 -10.492   0.346
  520    HB1  ALA  70           HB1      ALA  70  11.718 -10.374  -1.916
  521    HB2  ALA  70           HB2      ALA  70  12.666 -11.066  -0.586
  522    HB3  ALA  70           HB3      ALA  70  11.936 -12.138  -1.817
  523    H    ASP  71           H        ASP  71   9.200 -13.157  -1.455
  524    HA   ASP  71           HA       ASP  71   7.720 -11.811  -3.436
  525    HB2  ASP  71           HB2      ASP  71   7.540 -14.040  -3.756
  526    HB3  ASP  71           HB3      ASP  71   7.589 -14.417  -2.039
  527    H    ASP  72           H        ASP  72   7.170 -11.927   0.057
  528    HA   ASP  72           HA       ASP  72   4.420 -11.002  -0.070
  529    HB2  ASP  72           HB2      ASP  72   5.341 -12.182   1.882
  530    HB3  ASP  72           HB3      ASP  72   6.454 -10.852   2.176
  531    H    TYR  73           H        TYR  73   7.439  -9.469  -0.561
  532    HA   TYR  73           HA       TYR  73   6.547  -6.761   0.096
  533    HB2  TYR  73           HB2      TYR  73   9.383  -7.848  -0.213
  534    HB3  TYR  73           HB3      TYR  73   8.968  -6.225   0.326
  535    HD1  TYR  73           HD2      TYR  73   8.683  -9.835   1.224
  536    HD2  TYR  73           HD1      TYR  73   8.805  -5.801   2.716
  537    HE1  TYR  73           HE2      TYR  73   8.587 -10.706   3.521
  538    HE2  TYR  73           HE1      TYR  73   8.590  -6.660   5.027
  539    HH   TYR  73           HH       TYR  73   8.363  -8.540   6.397
  540    H    ASP  74           H        ASP  74   7.964  -5.100  -1.589
  541    HA   ASP  74           HA       ASP  74   8.190  -6.568  -4.222
  542    HB2  ASP  74           HB2      ASP  74   6.088  -4.946  -3.755
  543    HB3  ASP  74           HB3      ASP  74   7.291  -3.712  -4.163
  544    H    VAL  75           H        VAL  75  10.026  -4.803  -1.985
  545    HA   VAL  75           HA       VAL  75  11.946  -4.147  -4.150
  546    HB   VAL  75           HB       VAL  75  10.715  -2.344  -2.179
  547   HG11  VAL  75          HG11      VAL  75  12.800  -0.990  -3.751
  548   HG12  VAL  75          HG12      VAL  75  12.256  -0.751  -2.121
  549   HG13  VAL  75          HG13      VAL  75  13.395  -2.067  -2.470
  550   HG21  VAL  75          HG21      VAL  75   9.454  -2.283  -4.151
  551   HG22  VAL  75          HG22      VAL  75  10.364  -0.792  -4.087
  552   HG23  VAL  75          HG23      VAL  75  10.909  -2.097  -5.152
  553    H    VAL  76           H        VAL  76  13.965  -5.093  -3.538
  554    HA   VAL  76           HA       VAL  76  14.431  -5.378  -0.619
  555    HB   VAL  76           HB       VAL  76  15.421  -7.539  -0.999
  556   HG11  VAL  76          HG11      VAL  76  12.974  -7.351  -0.401
  557   HG12  VAL  76          HG12      VAL  76  12.589  -7.546  -2.114
  558   HG13  VAL  76          HG13      VAL  76  13.401  -8.849  -1.233
  559   HG21  VAL  76          HG21      VAL  76  16.145  -7.532  -3.276
  560   HG22  VAL  76          HG22      VAL  76  14.973  -8.835  -3.095
  561   HG23  VAL  76          HG23      VAL  76  14.489  -7.326  -3.881
  562    H    ILE  77           H        ILE  77  16.334  -4.795   0.041
  563    HA   ILE  77           HA       ILE  77  18.370  -3.890  -1.922
  564    HB   ILE  77           HB       ILE  77  17.281  -2.496   0.542
  565   HG12  ILE  77          HG12      ILE  77  15.597  -2.398  -1.222
  566   HG13  ILE  77          HG13      ILE  77  16.290  -0.838  -0.878
  567   HG21  ILE  77          HG21      ILE  77  19.649  -1.957   0.169
  568   HG22  ILE  77          HG22      ILE  77  19.337  -1.628  -1.542
  569   HG23  ILE  77          HG23      ILE  77  18.627  -0.593  -0.275
  570   HD11  ILE  77          HD11      ILE  77  17.210  -2.572  -3.232
  571   HD12  ILE  77          HD12      ILE  77  15.916  -1.364  -3.329
  572   HD13  ILE  77          HD13      ILE  77  17.590  -0.877  -2.958
  573    H    SER  78           H        SER  78  19.515  -5.784  -1.507
  574    HA   SER  78           HA       SER  78  20.184  -6.458   1.246
  575    HB2  SER  78           HB2      SER  78  19.890  -8.270  -0.236
  576    HB3  SER  78           HB3      SER  78  20.904  -7.531  -1.494
  577    HG   SER  78           HG       SER  78  22.646  -8.123  -0.550
  578    H    LEU  79           H        LEU  79  22.537  -6.550   1.933
  579    HA   LEU  79           HA       LEU  79  24.336  -4.720   0.545
  580    HB2  LEU  79           HB2      LEU  79  23.943  -4.318   3.548
  581    HB3  LEU  79           HB3      LEU  79  25.174  -3.622   2.464
  582    HG   LEU  79           HG       LEU  79  23.146  -2.617   1.197
  583   HD11  LEU  79          HD11      LEU  79  21.864  -2.574   3.905
  584   HD12  LEU  79          HD12      LEU  79  21.195  -2.074   2.348
  585   HD13  LEU  79          HD13      LEU  79  21.413  -3.794   2.693
  586   HD21  LEU  79          HD21      LEU  79  23.926  -1.488   3.928
  587   HD22  LEU  79          HD22      LEU  79  24.890  -1.308   2.453
  588   HD23  LEU  79          HD23      LEU  79  23.284  -0.572   2.547
  589    H    CYS  80           H        CYS  80  24.395  -7.179   0.148
  590    HA   CYS  80           HA       CYS  80  26.257  -8.467   2.092
  591    HB2  CYS  80           HB2      CYS  80  24.384  -9.743   0.040
  592    HB3  CYS  80           HB3      CYS  80  25.538 -10.606   1.074
  593    HG   CYS  80           HG       CYS  80  22.719  -9.088   1.652
  594    H    GLY  81           H        GLY  81  26.351  -6.536  -0.591
  595    HA2  GLY  81           HA2      GLY  81  28.432  -5.921  -1.480
  596    HA3  GLY  81           HA3      GLY  81  29.109  -7.505  -1.093
  597    H    CYS  82           H        CYS  82  26.069  -6.856  -2.767
  598    HA   CYS  82           HA       CYS  82  25.070  -7.873  -4.448
  599    HB2  CYS  82           HB2      CYS  82  25.591  -6.881  -6.505
  600    HB3  CYS  82           HB3      CYS  82  26.089  -5.753  -5.232
  601    HG   CYS  82           HG       CYS  82  28.659  -6.825  -5.255
  602    H    GLY  83           H        GLY  83  28.046  -9.493  -3.911
  603    HA2  GLY  83           HA2      GLY  83  27.901 -11.333  -6.107
  604    HA3  GLY  83           HA3      GLY  83  28.834 -11.494  -4.602
  605    H    VAL  84           H        VAL  84  26.045 -11.071  -3.256
  606    HA   VAL  84           HA       VAL  84  25.402 -13.793  -2.705
  607    HB   VAL  84           HB       VAL  84  25.020 -11.822  -1.189
  608   HG11  VAL  84          HG11      VAL  84  22.703 -11.147  -3.060
  609   HG12  VAL  84          HG12      VAL  84  22.951 -10.454  -1.460
  610   HG13  VAL  84          HG13      VAL  84  24.128 -10.140  -2.740
  611   HG21  VAL  84          HG21      VAL  84  22.926 -12.570  -0.218
  612   HG22  VAL  84          HG22      VAL  84  22.484 -13.418  -1.710
  613   HG23  VAL  84          HG23      VAL  84  23.881 -13.958  -0.752
  614    H    ASN  85           H        ASN  85  23.629 -14.917  -3.233
  615    HA   ASN  85           HA       ASN  85  22.217 -14.261  -5.770
  616    HB2  ASN  85           HB2      ASN  85  23.702 -15.894  -6.492
  617    HB3  ASN  85           HB3      ASN  85  23.802 -16.676  -4.923
  618   HD21  ASN  85          HD22      ASN  85  22.825 -18.553  -4.743
  619   HD22  ASN  85          HD21      ASN  85  21.506 -19.164  -5.730
  620    H    LEU  86           H        LEU  86  20.618 -13.329  -4.444
  621    HA   LEU  86           HA       LEU  86  19.603 -14.554  -2.055
  622    HB2  LEU  86           HB2      LEU  86  18.218 -12.555  -3.889
  623    HB3  LEU  86           HB3      LEU  86  17.765 -12.932  -2.226
  624    HG   LEU  86           HG       LEU  86  20.348 -11.573  -3.066
  625   HD11  LEU  86          HD11      LEU  86  17.878 -10.404  -1.720
  626   HD12  LEU  86          HD12      LEU  86  19.348  -9.526  -2.209
  627   HD13  LEU  86          HD13      LEU  86  18.272 -10.222  -3.436
  628   HD21  LEU  86          HD21      LEU  86  20.749 -11.089  -0.728
  629   HD22  LEU  86          HD22      LEU  86  19.180 -11.770  -0.259
  630   HD23  LEU  86          HD23      LEU  86  20.468 -12.835  -0.839
  631    HA   PRO  87           HA       PRO  87  17.015 -17.707  -3.750
  632    HB2  PRO  87           HB2      PRO  87  14.771 -16.735  -2.017
  633    HB3  PRO  87           HB3      PRO  87  15.404 -18.394  -2.213
  634    HG2  PRO  87           HG2      PRO  87  16.043 -16.874  -0.022
  635    HG3  PRO  87           HG3      PRO  87  17.260 -17.939  -0.795
  636    HD2  PRO  87           HD2      PRO  87  16.965 -14.951  -1.030
  637    HD3  PRO  87           HD3      PRO  87  18.438 -15.961  -0.966
  638    HA   PRO  88           HA       PRO  88  14.879 -16.241  -7.075
  639    HB2  PRO  88           HB2      PRO  88  12.492 -18.033  -6.545
  640    HB3  PRO  88           HB3      PRO  88  13.366 -17.765  -8.091
  641    HG2  PRO  88           HG2      PRO  88  13.913 -19.947  -6.581
  642    HG3  PRO  88           HG3      PRO  88  15.251 -19.018  -7.330
  643    HD2  PRO  88           HD2      PRO  88  14.286 -18.956  -4.471
  644    HD3  PRO  88           HD3      PRO  88  15.953 -18.915  -5.115
  645    H    GLU  89           H        GLU  89  12.584 -16.194  -4.291
  646    HA   GLU  89           HA       GLU  89  10.690 -14.529  -5.591
  647    HB2  GLU  89           HB2      GLU  89   9.801 -14.137  -3.376
  648    HB3  GLU  89           HB3      GLU  89   9.948 -15.846  -3.759
  649    HG2  GLU  89           HG2      GLU  89  12.069 -14.471  -2.094
  650    HG3  GLU  89           HG3      GLU  89  10.518 -14.850  -1.385
  651    H    TRP  90           H        TRP  90  13.674 -13.885  -3.997
  652    HA   TRP  90           HA       TRP  90  13.289 -11.059  -3.522
  653    HB2  TRP  90           HB2      TRP  90  15.799 -12.766  -3.737
  654    HB3  TRP  90           HB3      TRP  90  15.765 -11.113  -3.171
  655    HD1  TRP  90           HD1      TRP  90  14.448 -14.586  -2.111
  656    HE1  TRP  90           HE1      TRP  90  14.138 -14.669   0.423
  657    HE3  TRP  90           HE3      TRP  90  15.715  -9.796  -1.021
  658    HZ2  TRP  90           HZ2      TRP  90  14.140 -12.783   2.619
  659    HZ3  TRP  90           HZ3      TRP  90  15.514  -8.908   1.279
  660    HH2  TRP  90           HH2      TRP  90  14.666 -10.413   3.118
  661    H    VAL  91           H        VAL  91  13.644 -12.823  -6.435
  662    HA   VAL  91           HA       VAL  91  14.895 -10.567  -7.812
  663    HB   VAL  91           HB       VAL  91  14.119 -13.181  -8.930
  664   HG11  VAL  91          HG11      VAL  91  14.525 -11.448 -10.617
  665   HG12  VAL  91          HG12      VAL  91  16.106 -11.089  -9.891
  666   HG13  VAL  91          HG13      VAL  91  15.810 -12.660 -10.668
  667   HG21  VAL  91          HG21      VAL  91  15.752 -13.700  -7.167
  668   HG22  VAL  91          HG22      VAL  91  16.539 -13.845  -8.732
  669   HG23  VAL  91          HG23      VAL  91  16.814 -12.397  -7.744
  670    H    THR  92           H        THR  92  11.788 -12.237  -7.311
  671    HA   THR  92           HA       THR  92  10.508 -10.882  -9.531
  672    HB   THR  92           HB       THR  92   8.529 -12.247  -8.766
  673    HG1  THR  92           HG1      THR  92   8.911 -12.645  -6.633
  674   HG21  THR  92          HG21      THR  92  10.214 -13.011 -10.448
  675   HG22  THR  92          HG22      THR  92  11.152 -13.765  -9.141
  676   HG23  THR  92          HG23      THR  92   9.514 -14.351  -9.517
  677    H    GLN  93           H        GLN  93  11.382  -8.914  -8.315
  678    HA   GLN  93           HA       GLN  93   9.406  -7.633  -6.515
  679    HB2  GLN  93           HB2      GLN  93  12.454  -7.568  -6.729
  680    HB3  GLN  93           HB3      GLN  93  11.496  -6.599  -5.593
  681    HG2  GLN  93           HG2      GLN  93  11.791  -9.609  -5.560
  682    HG3  GLN  93           HG3      GLN  93  12.606  -8.454  -4.515
  683   HE21  GLN  93          HE22      GLN  93  10.005 -10.515  -4.687
  684   HE22  GLN  93          HE21      GLN  93   9.078  -9.789  -3.356
  685    H    GLU  94           H        GLU  94   9.423  -5.227  -6.809
  686    HA   GLU  94           HA       GLU  94   9.691  -4.261  -9.487
  687    HB2  GLU  94           HB2      GLU  94   7.939  -3.244  -8.347
  688    HB3  GLU  94           HB3      GLU  94   8.764  -3.310  -6.798
  689    HG2  GLU  94           HG2      GLU  94   8.496  -1.056  -7.408
  690    HG3  GLU  94           HG3      GLU  94  10.187  -1.511  -7.315
  691    H    ILE  95           H        ILE  95  11.487  -4.131  -6.380
  692    HA   ILE  95           HA       ILE  95  13.877  -3.341  -8.022
  693    HB   ILE  95           HB       ILE  95  13.256  -2.348  -5.236
  694   HG12  ILE  95          HG12      ILE  95  12.241  -1.019  -7.054
  695   HG13  ILE  95          HG13      ILE  95  13.392  -0.154  -6.020
  696   HG21  ILE  95          HG21      ILE  95  15.854  -2.201  -6.821
  697   HG22  ILE  95          HG22      ILE  95  15.485  -1.114  -5.484
  698   HG23  ILE  95          HG23      ILE  95  15.594  -2.854  -5.186
  699   HD11  ILE  95          HD11      ILE  95  14.069  -1.207  -8.805
  700   HD12  ILE  95          HD12      ILE  95  13.496   0.433  -8.457
  701   HD13  ILE  95          HD13      ILE  95  15.041  -0.105  -7.789
  702    H    PHE  96           H        PHE  96  15.610  -4.567  -7.762
  703    HA   PHE  96           HA       PHE  96  16.044  -6.045  -5.266
  704    HB2  PHE  96           HB2      PHE  96  15.385  -7.918  -6.583
  705    HB3  PHE  96           HB3      PHE  96  16.227  -7.320  -8.008
  706    HD1  PHE  96           HD2      PHE  96  17.888  -7.196  -4.628
  707    HD2  PHE  96           HD1      PHE  96  17.492  -9.390  -8.332
  708    HE1  PHE  96           HE2      PHE  96  20.101  -8.206  -4.254
  709    HE2  PHE  96           HE1      PHE  96  19.635 -10.536  -7.853
  710    HZ   PHE  96           HZ       PHE  96  20.966  -9.925  -5.843
  711    H    GLU  97           H        GLU  97  17.705  -4.907  -4.581
  712    HA   GLU  97           HA       GLU  97  19.910  -4.254  -6.416
  713    HB2  GLU  97           HB2      GLU  97  18.095  -2.314  -5.309
  714    HB3  GLU  97           HB3      GLU  97  19.596  -2.169  -4.395
  715    HG2  GLU  97           HG2      GLU  97  19.402  -2.142  -7.444
  716    HG3  GLU  97           HG3      GLU  97  19.342  -0.703  -6.438
  717    H    ASP  98           H        ASP  98  21.837  -3.765  -5.083
  718    HA   ASP  98           HA       ASP  98  21.794  -4.806  -2.385
  719    HB2  ASP  98           HB2      ASP  98  22.435  -6.813  -3.651
  720    HB3  ASP  98           HB3      ASP  98  23.796  -5.921  -4.338
  721    H    TRP  99           H        TRP  99  22.460  -3.043  -1.399
  722    HA   TRP  99           HA       TRP  99  24.168  -1.028  -2.691
  723    HB2  TRP  99           HB2      TRP  99  22.526  -1.154  -0.116
  724    HB3  TRP  99           HB3      TRP  99  23.594   0.182  -0.483
  725    HD1  TRP  99           HD1      TRP  99  22.258  -0.723  -3.738
  726    HE1  TRP  99           HE1      TRP  99  20.153   0.525  -4.378
  727    HE3  TRP  99           HE3      TRP  99  21.015   1.171   0.879
  728    HZ2  TRP  99           HZ2      TRP  99  17.979   1.829  -3.022
  729    HZ3  TRP  99           HZ3      TRP  99  18.779   2.291   1.162
  730    HH2  TRP  99           HH2      TRP  99  17.281   2.539  -0.745
  731    H    GLN 100           H        GLN 100  26.007  -2.282  -2.942
  732    HA   GLN 100           HA       GLN 100  27.327  -3.822  -1.103
  733    HB2  GLN 100           HB2      GLN 100  28.602  -2.192  -3.296
  734    HB3  GLN 100           HB3      GLN 100  29.214  -3.683  -2.549
  735    HG2  GLN 100           HG2      GLN 100  28.166  -4.933  -4.014
  736    HG3  GLN 100           HG3      GLN 100  26.612  -4.263  -3.539
  737   HE21  GLN 100          HE22      GLN 100  25.492  -3.261  -5.211
  738   HE22  GLN 100          HE21      GLN 100  26.232  -2.603  -6.663
  739    H    LEU 101           H        LEU 101  26.768  -1.082   0.106
  740    HA   LEU 101           HA       LEU 101  29.037   0.690   0.054
  741    HB2  LEU 101           HB2      LEU 101  26.474   0.527   1.666
  742    HB3  LEU 101           HB3      LEU 101  27.733   1.609   2.209
  743    HG   LEU 101           HG       LEU 101  25.972   2.719   0.845
  744   HD11  LEU 101          HD11      LEU 101  28.782   2.867  -0.369
  745   HD12  LEU 101          HD12      LEU 101  27.527   4.114  -0.429
  746   HD13  LEU 101          HD13      LEU 101  28.263   3.672   1.124
  747   HD21  LEU 101          HD21      LEU 101  25.627   0.968  -0.894
  748   HD22  LEU 101          HD22      LEU 101  26.014   2.550  -1.588
  749   HD23  LEU 101          HD23      LEU 101  27.249   1.290  -1.545
  750    H    GLU 102           H        GLU 102  29.883   1.532   2.310
  751    HA   GLU 102           HA       GLU 102  31.746  -0.340   3.156
  752    HB2  GLU 102           HB2      GLU 102  30.912   2.389   3.999
  753    HB3  GLU 102           HB3      GLU 102  31.709   1.457   5.278
  754    HG2  GLU 102           HG2      GLU 102  32.823   1.613   2.473
  755    HG3  GLU 102           HG3      GLU 102  33.143   2.877   3.672
  756    H    ASP 103           H        ASP 103  32.244  -0.919   5.278
  757    HA   ASP 103           HA       ASP 103  30.006  -2.479   6.490
  758    HB2  ASP 103           HB2      ASP 103  31.560  -3.803   5.133
  759    HB3  ASP 103           HB3      ASP 103  32.911  -3.239   6.120
  760    HA   PRO 104           HA       PRO 104  31.657  -0.022   9.890
  761    HB2  PRO 104           HB2      PRO 104  29.464   0.116  11.505
  762    HB3  PRO 104           HB3      PRO 104  29.579   1.015   9.965
  763    HG2  PRO 104           HG2      PRO 104  28.237  -1.665  10.469
  764    HG3  PRO 104           HG3      PRO 104  27.573  -0.231   9.609
  765    HD2  PRO 104           HD2      PRO 104  28.771  -2.379   8.336
  766    HD3  PRO 104           HD3      PRO 104  28.813  -0.711   7.674
  767    H    ASP 105           H        ASP 105  31.528  -3.209   9.582
  768    HA   ASP 105           HA       ASP 105  31.354  -4.858  11.547
  769    HB2  ASP 105           HB2      ASP 105  32.629  -5.300   9.535
  770    HB3  ASP 105           HB3      ASP 105  33.962  -4.322  10.103
  771    H    GLY 106           H        GLY 106  31.159  -3.843  13.625
  772    HA2  GLY 106           HA2      GLY 106  31.792  -2.989  15.663
  773    HA3  GLY 106           HA3      GLY 106  33.179  -4.078  15.516
  774    H    GLN 107           H        GLN 107  32.565  -1.271  13.403
  775    HA   GLN 107           HA       GLN 107  35.302  -0.415  13.781
  776    HB2  GLN 107           HB2      GLN 107  33.030   0.550  11.971
  777    HB3  GLN 107           HB3      GLN 107  34.595   1.317  12.008
  778    HG2  GLN 107           HG2      GLN 107  35.370  -1.323  11.831
  779    HG3  GLN 107           HG3      GLN 107  33.917  -1.311  10.836
  780   HE21  GLN 107          HE22      GLN 107  34.230  -0.622   8.674
  781   HE22  GLN 107          HE21      GLN 107  35.628   0.298   8.149
  782    H    SER 108           H        SER 108  35.495   2.096  13.447
  783    HA   SER 108           HA       SER 108  35.098   3.313  16.016
  784    HB2  SER 108           HB2      SER 108  36.013   5.327  14.677
  785    HB3  SER 108           HB3      SER 108  37.054   3.898  14.803
  786    HG   SER 108           HG       SER 108  37.004   4.606  12.656
  787    H    LEU 109           H        LEU 109  33.878   5.334  16.295
  788    HA   LEU 109           HA       LEU 109  31.195   5.213  15.408
  789    HB2  LEU 109           HB2      LEU 109  32.770   7.619  16.428
  790    HB3  LEU 109           HB3      LEU 109  31.029   7.581  16.211
  791    HG   LEU 109           HG       LEU 109  32.682   6.118  18.284
  792   HD11  LEU 109          HD11      LEU 109  31.178   7.309  19.840
  793   HD12  LEU 109          HD12      LEU 109  31.992   8.447  18.752
  794   HD13  LEU 109          HD13      LEU 109  30.297   8.020  18.476
  795   HD21  LEU 109          HD21      LEU 109  31.123   4.412  17.578
  796   HD22  LEU 109          HD22      LEU 109  30.553   5.080  19.110
  797   HD23  LEU 109          HD23      LEU 109  29.775   5.565  17.593
  798    H    GLU 110           H        GLU 110  34.033   6.705  13.940
  799    HA   GLU 110           HA       GLU 110  32.648   8.471  12.181
  800    HB2  GLU 110           HB2      GLU 110  35.371   7.115  11.975
  801    HB3  GLU 110           HB3      GLU 110  34.769   8.324  10.815
  802    HG2  GLU 110           HG2      GLU 110  34.381   9.903  12.669
  803    HG3  GLU 110           HG3      GLU 110  35.082   8.743  13.806
  804    H    VAL 111           H        VAL 111  33.574   4.961  11.762
  805    HA   VAL 111           HA       VAL 111  32.573   5.136   9.073
  806    HB   VAL 111           HB       VAL 111  33.152   2.664  10.756
  807   HG11  VAL 111          HG11      VAL 111  32.701   3.009   7.742
  808   HG12  VAL 111          HG12      VAL 111  33.223   1.508   8.516
  809   HG13  VAL 111          HG13      VAL 111  31.623   2.148   8.860
  810   HG21  VAL 111          HG21      VAL 111  35.182   4.013  10.412
  811   HG22  VAL 111          HG22      VAL 111  35.255   2.617   9.342
  812   HG23  VAL 111          HG23      VAL 111  34.812   4.196   8.685
  813    H    PHE 112           H        PHE 112  31.147   4.011  12.188
  814    HA   PHE 112           HA       PHE 112  28.559   3.397  11.250
  815    HB2  PHE 112           HB2      PHE 112  29.472   4.763  13.778
  816    HB3  PHE 112           HB3      PHE 112  27.777   4.602  13.378
  817    HD1  PHE 112           HD2      PHE 112  30.835   2.350  13.547
  818    HD2  PHE 112           HD1      PHE 112  26.602   2.843  14.253
  819    HE1  PHE 112           HE2      PHE 112  30.752   0.136  14.635
  820    HE2  PHE 112           HE1      PHE 112  26.555   0.659  15.414
  821    HZ   PHE 112           HZ       PHE 112  28.619  -0.709  15.600
  822    H    ARG 113           H        ARG 113  29.824   6.725  11.993
  823    HA   ARG 113           HA       ARG 113  27.474   8.144  11.212
  824    HB2  ARG 113           HB2      ARG 113  30.431   8.952  11.180
  825    HB3  ARG 113           HB3      ARG 113  29.128  10.056  10.784
  826    HG2  ARG 113           HG2      ARG 113  28.149   9.737  13.039
  827    HG3  ARG 113           HG3      ARG 113  29.486   8.676  13.489
  828    HD2  ARG 113           HD2      ARG 113  31.091  10.466  13.160
  829    HD3  ARG 113           HD3      ARG 113  29.823  11.565  12.581
  830    HE   ARG 113           HE       ARG 113  28.799  10.928  14.968
  831   HH11  ARG 113          HH21      ARG 113  32.077  12.082  14.100
  832   HH12  ARG 113          HH22      ARG 113  32.399  12.743  15.661
  833   HH21  ARG 113          HH11      ARG 113  29.229  11.786  16.986
  834   HH22  ARG 113          HH12      ARG 113  30.733  12.595  17.356
  835    H    THR 114           H        THR 114  30.384   7.235   9.328
  836    HA   THR 114           HA       THR 114  29.593   8.726   7.049
  837    HB   THR 114           HB       THR 114  31.508   6.357   7.319
  838    HG1  THR 114           HG1      THR 114  32.206   8.016   8.580
  839   HG21  THR 114          HG21      THR 114  31.243   8.418   5.088
  840   HG22  THR 114          HG22      THR 114  32.605   7.286   5.285
  841   HG23  THR 114          HG23      THR 114  30.983   6.664   4.968
  842    H    VAL 115           H        VAL 115  29.123   5.276   7.993
  843    HA   VAL 115           HA       VAL 115  28.238   4.504   5.356
  844    HB   VAL 115           HB       VAL 115  28.007   3.209   8.126
  845   HG11  VAL 115          HG11      VAL 115  27.397   1.090   6.931
  846   HG12  VAL 115          HG12      VAL 115  26.106   2.295   6.891
  847   HG13  VAL 115          HG13      VAL 115  27.119   2.019   5.451
  848   HG21  VAL 115          HG21      VAL 115  30.275   3.332   6.944
  849   HG22  VAL 115          HG22      VAL 115  29.708   1.682   7.303
  850   HG23  VAL 115          HG23      VAL 115  29.537   2.340   5.669
  851    H    ARG 116           H        ARG 116  26.565   5.278   8.407
  852    HA   ARG 116           HA       ARG 116  23.892   5.273   7.708
  853    HB2  ARG 116           HB2      ARG 116  24.729   5.755   9.901
  854    HB3  ARG 116           HB3      ARG 116  25.695   7.093   9.317
  855    HG2  ARG 116           HG2      ARG 116  23.497   8.349   8.872
  856    HG3  ARG 116           HG3      ARG 116  22.742   7.045   9.824
  857    HD2  ARG 116           HD2      ARG 116  23.235   8.442  11.510
  858    HD3  ARG 116           HD3      ARG 116  24.780   7.514  11.440
  859    HE   ARG 116           HE       ARG 116  24.955   9.803   9.732
  860   HH11  ARG 116          HH11      ARG 116  24.807   9.164  13.235
  861   HH12  ARG 116          HH12      ARG 116  26.026  10.325  13.651
  862   HH21  ARG 116          HH21      ARG 116  26.329  11.555  10.302
  863   HH22  ARG 116          HH22      ARG 116  26.709  11.860  11.954
  864    H    GLY 117           H        GLY 117  26.150   8.102   7.060
  865    HA2  GLY 117           HA2      GLY 117  24.086   9.559   5.777
  866    HA3  GLY 117           HA3      GLY 117  25.835   9.853   5.582
  867    H    GLN 118           H        GLN 118  26.554   7.344   4.392
  868    HA   GLN 118           HA       GLN 118  25.869   7.890   1.683
  869    HB2  GLN 118           HB2      GLN 118  27.165   5.428   2.935
  870    HB3  GLN 118           HB3      GLN 118  27.155   5.825   1.204
  871    HG2  GLN 118           HG2      GLN 118  28.332   7.933   1.642
  872    HG3  GLN 118           HG3      GLN 118  28.342   7.615   3.360
  873   HE21  GLN 118          HE22      GLN 118  30.655   7.919   1.359
  874   HE22  GLN 118          HE21      GLN 118  31.632   6.501   1.648
  875    H    VAL 119           H        VAL 119  24.703   5.523   4.031
  876    HA   VAL 119           HA       VAL 119  22.949   4.090   2.278
  877    HB   VAL 119           HB       VAL 119  22.967   4.599   5.292
  878   HG11  VAL 119          HG11      VAL 119  21.321   2.784   5.525
  879   HG12  VAL 119          HG12      VAL 119  20.629   4.217   4.759
  880   HG13  VAL 119          HG13      VAL 119  21.056   2.801   3.762
  881   HG21  VAL 119          HG21      VAL 119  23.432   2.040   3.667
  882   HG22  VAL 119          HG22      VAL 119  24.742   3.070   4.251
  883   HG23  VAL 119          HG23      VAL 119  23.675   2.258   5.413
  884    H    LYS 120           H        LYS 120  22.582   7.137   4.256
  885    HA   LYS 120           HA       LYS 120  19.816   7.266   3.893
  886    HB2  LYS 120           HB2      LYS 120  19.829   9.172   5.007
  887    HB3  LYS 120           HB3      LYS 120  21.406   8.598   5.463
  888    HG2  LYS 120           HG2      LYS 120  22.482  10.382   4.668
  889    HG3  LYS 120           HG3      LYS 120  21.634  10.423   3.156
  890    HD2  LYS 120           HD2      LYS 120  20.437  11.350   5.798
  891    HD3  LYS 120           HD3      LYS 120  21.224  12.435   4.655
  892    HE2  LYS 120           HE2      LYS 120  18.958  10.669   3.652
  893    HE3  LYS 120           HE3      LYS 120  18.553  12.057   4.675
  894    HZ1  LYS 120           HZ1      LYS 120  18.516  12.561   2.285
  895    HZ2  LYS 120           HZ2      LYS 120  19.572  13.518   3.096
  896    HZ3  LYS 120           HZ3      LYS 120  20.134  12.288   2.162
  897    H    GLU 121           H        GLU 121  22.375   8.589   1.799
  898    HA   GLU 121           HA       GLU 121  20.520   9.857   0.018
  899    HB2  GLU 121           HB2      GLU 121  23.342   8.774  -0.499
  900    HB3  GLU 121           HB3      GLU 121  22.428   9.766  -1.635
  901    HG2  GLU 121           HG2      GLU 121  23.396  10.625   1.118
  902    HG3  GLU 121           HG3      GLU 121  24.068  11.096  -0.447
  903    H    ARG 122           H        ARG 122  21.956   6.520   0.042
  904    HA   ARG 122           HA       ARG 122  20.673   5.834  -2.466
  905    HB2  ARG 122           HB2      ARG 122  21.761   4.094  -0.216
  906    HB3  ARG 122           HB3      ARG 122  20.978   3.495  -1.684
  907    HG2  ARG 122           HG2      ARG 122  22.723   5.133  -2.901
  908    HG3  ARG 122           HG3      ARG 122  23.655   4.858  -1.423
  909    HD2  ARG 122           HD2      ARG 122  23.600   2.439  -1.818
  910    HD3  ARG 122           HD3      ARG 122  22.412   2.670  -3.120
  911    HE   ARG 122           HE       ARG 122  25.066   3.961  -3.409
  912   HH11  ARG 122          HH11      ARG 122  22.808   1.445  -4.511
  913   HH12  ARG 122          HH12      ARG 122  23.690   1.048  -5.927
  914   HH21  ARG 122          HH21      ARG 122  26.273   3.447  -5.300
  915   HH22  ARG 122          HH22      ARG 122  25.724   2.223  -6.386
  916    H    VAL 123           H        VAL 123  19.607   5.420   0.964
  917    HA   VAL 123           HA       VAL 123  17.125   4.254   0.413
  918    HB   VAL 123           HB       VAL 123  18.092   6.232   2.557
  919   HG11  VAL 123          HG11      VAL 123  15.447   4.805   2.339
  920   HG12  VAL 123          HG12      VAL 123  16.123   5.395   3.874
  921   HG13  VAL 123          HG13      VAL 123  15.772   6.546   2.593
  922   HG21  VAL 123          HG21      VAL 123  17.468   3.247   2.801
  923   HG22  VAL 123          HG22      VAL 123  19.110   3.911   2.595
  924   HG23  VAL 123          HG23      VAL 123  18.179   4.303   4.032
  925    H    GLU 124           H        GLU 124  17.950   7.762   0.551
  926    HA   GLU 124           HA       GLU 124  15.320   8.541  -0.080
  927    HB2  GLU 124           HB2      GLU 124  16.993   9.831   1.044
  928    HB3  GLU 124           HB3      GLU 124  17.957   9.993  -0.451
  929    HG2  GLU 124           HG2      GLU 124  16.071  11.132  -1.528
  930    HG3  GLU 124           HG3      GLU 124  15.097  10.937  -0.049
  931    H    ASN 125           H        ASN 125  18.050   7.741  -2.202
  932    HA   ASN 125           HA       ASN 125  16.869   8.600  -4.643
  933    HB2  ASN 125           HB2      ASN 125  19.035   6.647  -3.910
  934    HB3  ASN 125           HB3      ASN 125  18.349   6.568  -5.520
  935   HD21  ASN 125          HD22      ASN 125  20.024   8.810  -3.271
  936   HD22  ASN 125          HD21      ASN 125  20.649   9.860  -4.533
  937    H    LEU 126           H        LEU 126  16.807   5.437  -2.948
  938    HA   LEU 126           HA       LEU 126  15.146   4.113  -4.879
  939    HB2  LEU 126           HB2      LEU 126  16.029   2.567  -3.638
  940    HB3  LEU 126           HB3      LEU 126  16.197   3.616  -2.211
  941    HG   LEU 126           HG       LEU 126  13.450   2.612  -2.714
  942   HD11  LEU 126          HD11      LEU 126  14.155   0.362  -1.659
  943   HD12  LEU 126          HD12      LEU 126  14.590   0.621  -3.378
  944   HD13  LEU 126          HD13      LEU 126  15.804   0.825  -2.098
  945   HD21  LEU 126          HD21      LEU 126  14.387   3.819  -0.585
  946   HD22  LEU 126          HD22      LEU 126  13.355   2.391  -0.354
  947   HD23  LEU 126          HD23      LEU 126  15.113   2.260  -0.186
  948    H    ILE 127           H        ILE 127  14.413   5.970  -1.985
  949    HA   ILE 127           HA       ILE 127  11.573   5.661  -1.982
  950    HB   ILE 127           HB       ILE 127  13.591   7.604  -0.926
  951   HG12  ILE 127          HG12      ILE 127  11.397   5.984   0.463
  952   HG13  ILE 127          HG13      ILE 127  12.849   5.192  -0.129
  953   HG21  ILE 127          HG21      ILE 127  11.889   8.841   0.329
  954   HG22  ILE 127          HG22      ILE 127  11.859   9.172  -1.400
  955   HG23  ILE 127          HG23      ILE 127  10.626   8.111  -0.688
  956   HD11  ILE 127          HD11      ILE 127  14.171   7.021   1.146
  957   HD12  ILE 127          HD12      ILE 127  12.621   7.287   1.984
  958   HD13  ILE 127          HD13      ILE 127  13.396   5.676   2.020
  959    H    ALA 128           H        ALA 128  13.691   8.086  -3.676
  960    HA   ALA 128           HA       ALA 128  11.514   9.493  -4.766
  961    HB1  ALA 128           HB1      ALA 128  13.878  10.360  -4.614
  962    HB2  ALA 128           HB2      ALA 128  14.335   9.220  -5.903
  963    HB3  ALA 128           HB3      ALA 128  13.186  10.534  -6.241
  964    H    LYS 129           H        LYS 129  12.979   6.469  -5.867
  965    HA   LYS 129           HA       LYS 129  11.711   6.550  -8.437
  966    HB2  LYS 129           HB2      LYS 129  12.660   4.147  -6.826
  967    HB3  LYS 129           HB3      LYS 129  12.192   4.134  -8.526
  968    HG2  LYS 129           HG2      LYS 129  14.057   5.619  -9.117
  969    HG3  LYS 129           HG3      LYS 129  14.456   5.854  -7.422
  970    HD2  LYS 129           HD2      LYS 129  16.045   4.315  -8.220
  971    HD3  LYS 129           HD3      LYS 129  14.933   3.466  -7.152
  972    HE2  LYS 129           HE2      LYS 129  15.386   2.024  -9.010
  973    HE3  LYS 129           HE3      LYS 129  13.715   2.571  -9.163
  974    HZ1  LYS 129           HZ1      LYS 129  16.032   3.676 -10.685
  975    HZ2  LYS 129           HZ2      LYS 129  14.919   2.652 -11.288
  976    HZ3  LYS 129           HZ3      LYS 129  14.476   4.160 -10.874
  977    H    ILE 130           H        ILE 130  10.879   4.917  -5.326
  978    HA   ILE 130           HA       ILE 130   8.423   4.023  -6.524
  979    HB   ILE 130           HB       ILE 130   8.193   3.073  -4.022
  980   HG12  ILE 130          HG12      ILE 130  11.165   3.232  -4.292
  981   HG13  ILE 130          HG13      ILE 130  10.189   4.113  -3.085
  982   HG21  ILE 130          HG21      ILE 130  10.070   2.087  -6.208
  983   HG22  ILE 130          HG22      ILE 130   9.259   1.030  -5.007
  984   HG23  ILE 130          HG23      ILE 130   8.292   1.861  -6.207
  985   HD11  ILE 130          HD11      ILE 130  10.931   1.214  -3.321
  986   HD12  ILE 130          HD12      ILE 130  10.917   2.246  -1.892
  987   HD13  ILE 130          HD13      ILE 130   9.379   1.583  -2.540
  988    H    SER 131           H        SER 131   9.048   6.354  -3.887
  989    HA   SER 131           HA       SER 131   6.406   6.290  -2.915
  990    HB2  SER 131           HB2      SER 131   8.524   8.453  -2.718
  991    HB3  SER 131           HB3      SER 131   7.037   8.371  -1.757
  992    HG   SER 131           HG       SER 131   8.693   7.329  -0.588
  Start of MODEL   12
    1    H    MET   1           H        MET   1   1.626  -2.658   2.605
    2    HA   MET   1           HA       MET   1   1.222  -1.334   0.007
    3    HB2  MET   1           HB2      MET   1   1.219   0.031   2.292
    4    HB3  MET   1           HB3      MET   1   2.966  -0.185   2.223
    5    HG2  MET   1           HG2      MET   1   2.238   1.953   1.269
    6    HG3  MET   1           HG3      MET   1   3.001   0.962   0.032
    7    HE1  MET   1           HE1      MET   1   0.298   3.069  -1.951
    8    HE2  MET   1           HE2      MET   1   1.243   3.599  -0.545
    9    HE3  MET   1           HE3      MET   1   2.022   2.651  -1.837
   10    H    LYS   2           H        LYS   2   3.552  -0.795  -1.071
   11    HA   LYS   2           HA       LYS   2   4.569  -3.343  -1.634
   12    HB2  LYS   2           HB2      LYS   2   6.190  -0.809  -2.147
   13    HB3  LYS   2           HB3      LYS   2   6.297  -2.352  -2.954
   14    HG2  LYS   2           HG2      LYS   2   5.093  -1.277  -4.528
   15    HG3  LYS   2           HG3      LYS   2   3.774  -1.917  -3.555
   16    HD2  LYS   2           HD2      LYS   2   3.085   0.324  -3.765
   17    HD3  LYS   2           HD3      LYS   2   3.975   0.410  -2.264
   18    HE2  LYS   2           HE2      LYS   2   4.889   2.227  -3.233
   19    HE3  LYS   2           HE3      LYS   2   6.049   1.032  -3.847
   20    HZ1  LYS   2           HZ1      LYS   2   4.727   0.922  -5.927
   21    HZ2  LYS   2           HZ2      LYS   2   3.663   2.031  -5.345
   22    HZ3  LYS   2           HZ3      LYS   2   5.210   2.461  -5.640
   23    H    LYS   3           H        LYS   3   5.968  -4.684  -0.542
   24    HA   LYS   3           HA       LYS   3   7.143  -3.496   1.896
   25    HB2  LYS   3           HB2      LYS   3   7.286  -6.399   1.152
   26    HB3  LYS   3           HB3      LYS   3   7.443  -5.649   2.735
   27    HG2  LYS   3           HG2      LYS   3   5.030  -5.022   2.659
   28    HG3  LYS   3           HG3      LYS   3   4.888  -5.781   1.068
   29    HD2  LYS   3           HD2      LYS   3   3.995  -7.168   2.897
   30    HD3  LYS   3           HD3      LYS   3   5.259  -7.960   1.952
   31    HE2  LYS   3           HE2      LYS   3   6.878  -7.751   3.660
   32    HE3  LYS   3           HE3      LYS   3   5.904  -6.577   4.579
   33    HZ1  LYS   3           HZ1      LYS   3   5.113  -9.419   4.147
   34    HZ2  LYS   3           HZ2      LYS   3   5.842  -8.856   5.515
   35    HZ3  LYS   3           HZ3      LYS   3   4.349  -8.331   5.106
   36    H    VAL   4           H        VAL   4   9.202  -3.184   2.271
   37    HA   VAL   4           HA       VAL   4  11.169  -4.067   0.241
   38    HB   VAL   4           HB       VAL   4  11.513  -1.724   2.095
   39   HG11  VAL   4          HG11      VAL   4  13.211  -1.136   0.216
   40   HG12  VAL   4          HG12      VAL   4  13.630  -2.461   1.297
   41   HG13  VAL   4          HG13      VAL   4  13.017  -2.841  -0.295
   42   HG21  VAL   4          HG21      VAL   4   9.635  -1.083   0.677
   43   HG22  VAL   4          HG22      VAL   4  11.080  -0.265   0.048
   44   HG23  VAL   4          HG23      VAL   4  10.435  -1.699  -0.770
   45    H    MET   5           H        MET   5  13.301  -4.703   1.118
   46    HA   MET   5           HA       MET   5  13.344  -5.271   4.029
   47    HB2  MET   5           HB2      MET   5  12.539  -7.295   2.881
   48    HB3  MET   5           HB3      MET   5  13.948  -7.213   1.789
   49    HG2  MET   5           HG2      MET   5  14.242  -8.896   3.574
   50    HG3  MET   5           HG3      MET   5  15.478  -7.645   3.565
   51    HE1  MET   5           HE1      MET   5  12.495  -8.661   6.883
   52    HE2  MET   5           HE2      MET   5  11.908  -8.378   5.222
   53    HE3  MET   5           HE3      MET   5  13.070  -9.683   5.550
   54    H    PHE   6           H        PHE   6  15.372  -4.888   4.836
   55    HA   PHE   6           HA       PHE   6  17.524  -4.291   2.891
   56    HB2  PHE   6           HB2      PHE   6  16.952  -3.020   5.569
   57    HB3  PHE   6           HB3      PHE   6  18.384  -2.703   4.577
   58    HD1  PHE   6           HD1      PHE   6  18.198  -1.510   2.404
   59    HD2  PHE   6           HD2      PHE   6  14.753  -2.214   4.879
   60    HE1  PHE   6           HE1      PHE   6  16.859   0.050   1.017
   61    HE2  PHE   6           HE2      PHE   6  13.396  -0.822   3.400
   62    HZ   PHE   6           HZ       PHE   6  14.466   0.461   1.538
   63    H    VAL   7           H        VAL   7  19.208  -5.907   3.069
   64    HA   VAL   7           HA       VAL   7  19.045  -7.707   5.467
   65    HB   VAL   7           HB       VAL   7  20.458  -8.331   2.856
   66   HG11  VAL   7          HG11      VAL   7  20.139 -10.635   3.477
   67   HG12  VAL   7          HG12      VAL   7  21.029  -9.786   4.734
   68   HG13  VAL   7          HG13      VAL   7  19.308 -10.169   4.974
   69   HG21  VAL   7          HG21      VAL   7  18.422  -9.591   2.164
   70   HG22  VAL   7          HG22      VAL   7  17.537  -8.882   3.533
   71   HG23  VAL   7          HG23      VAL   7  18.100  -7.855   2.206
   72    H    CYS   8           H        CYS   8  20.850  -7.996   6.799
   73    HA   CYS   8           HA       CYS   8  23.311  -6.483   6.042
   74    HB2  CYS   8           HB2      CYS   8  21.625  -5.629   7.953
   75    HB3  CYS   8           HB3      CYS   8  22.452  -6.846   8.917
   76    HG   CYS   8           HG       CYS   8  23.682  -4.313   7.182
   77    H    LYS   9           H        LYS   9  25.163  -7.070   7.268
   78    HA   LYS   9           HA       LYS   9  25.528  -9.603   8.564
   79    HB2  LYS   9           HB2      LYS   9  26.966  -9.012   5.910
   80    HB3  LYS   9           HB3      LYS   9  27.575 -10.139   7.130
   81    HG2  LYS   9           HG2      LYS   9  25.379 -11.408   6.935
   82    HG3  LYS   9           HG3      LYS   9  25.012 -10.400   5.520
   83    HD2  LYS   9           HD2      LYS   9  27.068 -11.206   4.399
   84    HD3  LYS   9           HD3      LYS   9  27.483 -12.164   5.838
   85    HE2  LYS   9           HE2      LYS   9  25.296 -13.399   5.574
   86    HE3  LYS   9           HE3      LYS   9  25.025 -12.538   4.056
   87    HZ1  LYS   9           HZ1      LYS   9  27.309 -14.369   4.623
   88    HZ2  LYS   9           HZ2      LYS   9  26.022 -14.727   3.692
   89    HZ3  LYS   9           HZ3      LYS   9  27.083 -13.580   3.204
   90    H    ARG  10           H        ARG  10  27.639  -9.372   9.769
   91    HA   ARG  10           HA       ARG  10  28.928  -8.089  11.172
   92    HB2  ARG  10           HB2      ARG  10  30.126  -7.640   8.997
   93    HB3  ARG  10           HB3      ARG  10  29.283  -6.105   8.897
   94    HG2  ARG  10           HG2      ARG  10  30.531  -5.129  10.520
   95    HG3  ARG  10           HG3      ARG  10  30.597  -6.584  11.534
   96    HD2  ARG  10           HD2      ARG  10  32.328  -5.900   9.164
   97    HD3  ARG  10           HD3      ARG  10  32.785  -5.977  10.856
   98    HE   ARG  10           HE       ARG  10  32.388  -8.392  10.844
   99   HH11  ARG  10          HH11      ARG  10  33.115  -6.818   7.703
  100   HH12  ARG  10          HH12      ARG  10  33.681  -8.286   6.981
  101   HH21  ARG  10          HH21      ARG  10  33.144 -10.304   9.854
  102   HH22  ARG  10          HH22      ARG  10  33.716 -10.294   8.226
  103    H    ASN  11           H        ASN  11  28.851  -5.060  11.208
  104    HA   ASN  11           HA       ASN  11  26.972  -4.973  13.274
  105    HB2  ASN  11           HB2      ASN  11  28.987  -3.469  12.884
  106    HB3  ASN  11           HB3      ASN  11  27.991  -2.550  11.754
  107   HD21  ASN  11          HD22      ASN  11  29.178  -2.198  14.675
  108   HD22  ASN  11          HD21      ASN  11  27.830  -1.529  15.567
  109    H    SER  12           H        SER  12  24.829  -4.884  13.262
  110    HA   SER  12           HA       SER  12  23.107  -4.924  11.195
  111    HB2  SER  12           HB2      SER  12  22.550  -3.594  13.875
  112    HB3  SER  12           HB3      SER  12  21.434  -4.550  12.892
  113    HG   SER  12           HG       SER  12  22.529  -5.655  14.771
  114    H    CYS  13           H        CYS  13  24.594  -2.002  12.493
  115    HA   CYS  13           HA       CYS  13  22.641  -0.123  12.172
  116    HB2  CYS  13           HB2      CYS  13  24.489   1.544  11.966
  117    HB3  CYS  13           HB3      CYS  13  24.798   0.330  13.232
  118    HG   CYS  13           HG       CYS  13  27.051   0.937  12.057
  119    H    ARG  14           H        ARG  14  24.859  -1.128   9.479
  120    HA   ARG  14           HA       ARG  14  23.959   0.977   7.828
  121    HB2  ARG  14           HB2      ARG  14  24.997  -0.231   5.915
  122    HB3  ARG  14           HB3      ARG  14  26.020  -0.008   7.329
  123    HG2  ARG  14           HG2      ARG  14  25.618  -2.385   7.993
  124    HG3  ARG  14           HG3      ARG  14  24.701  -2.615   6.489
  125    HD2  ARG  14           HD2      ARG  14  26.694  -2.082   5.161
  126    HD3  ARG  14           HD3      ARG  14  27.626  -1.703   6.611
  127    HE   ARG  14           HE       ARG  14  26.820  -4.245   7.152
  128   HH11  ARG  14          HH11      ARG  14  28.656  -2.789   4.465
  129   HH12  ARG  14          HH12      ARG  14  29.254  -4.301   3.874
  130   HH21  ARG  14          HH21      ARG  14  27.842  -6.176   6.566
  131   HH22  ARG  14          HH22      ARG  14  28.894  -6.260   5.189
  132    H    SER  15           H        SER  15  22.578  -2.363   7.838
  133    HA   SER  15           HA       SER  15  20.672  -1.390   5.839
  134    HB2  SER  15           HB2      SER  15  20.404  -4.097   6.998
  135    HB3  SER  15           HB3      SER  15  20.303  -3.508   5.316
  136    HG   SER  15           HG       SER  15  22.215  -4.584   5.390
  137    H    GLN  16           H        GLN  16  20.631  -2.082   9.347
  138    HA   GLN  16           HA       GLN  16  17.741  -1.864   9.597
  139    HB2  GLN  16           HB2      GLN  16  19.150  -3.000  11.181
  140    HB3  GLN  16           HB3      GLN  16  20.049  -1.495  11.513
  141    HG2  GLN  16           HG2      GLN  16  17.725  -0.589  12.322
  142    HG3  GLN  16           HG3      GLN  16  17.267  -2.288  12.410
  143   HE21  GLN  16          HE22      GLN  16  17.298  -0.676  14.763
  144   HE22  GLN  16          HE21      GLN  16  18.718  -1.036  15.705
  145    H    MET  17           H        MET  17  20.460   0.514   9.552
  146    HA   MET  17           HA       MET  17  18.817   2.818  10.010
  147    HB2  MET  17           HB2      MET  17  21.295   2.918  10.055
  148    HB3  MET  17           HB3      MET  17  21.318   2.443   8.324
  149    HG2  MET  17           HG2      MET  17  21.725   4.788   8.510
  150    HG3  MET  17           HG3      MET  17  20.224   4.525   7.674
  151    HE1  MET  17           HE1      MET  17  17.770   5.885   8.736
  152    HE2  MET  17           HE2      MET  17  17.783   4.560   9.947
  153    HE3  MET  17           HE3      MET  17  17.727   6.271  10.461
  154    H    ALA  18           H        ALA  18  19.718   0.971   7.064
  155    HA   ALA  18           HA       ALA  18  18.510   2.748   5.265
  156    HB1  ALA  18           HB1      ALA  18  18.620  -0.278   4.919
  157    HB2  ALA  18           HB2      ALA  18  18.705   0.967   3.660
  158    HB3  ALA  18           HB3      ALA  18  20.057   0.761   4.815
  159    H    GLU  19           H        GLU  19  17.050  -0.023   7.063
  160    HA   GLU  19           HA       GLU  19  14.397   0.434   6.170
  161    HB2  GLU  19           HB2      GLU  19  14.937  -1.558   7.416
  162    HB3  GLU  19           HB3      GLU  19  15.472  -0.605   8.799
  163    HG2  GLU  19           HG2      GLU  19  13.097   0.257   9.043
  164    HG3  GLU  19           HG3      GLU  19  12.630  -0.843   7.743
  165    H    GLY  20           H        GLY  20  16.279   2.142   8.810
  166    HA2  GLY  20           HA2      GLY  20  13.964   3.401   9.904
  167    HA3  GLY  20           HA3      GLY  20  15.647   3.880  10.129
  168    H    PHE  21           H        PHE  21  16.456   4.502   7.531
  169    HA   PHE  21           HA       PHE  21  15.239   7.098   7.043
  170    HB2  PHE  21           HB2      PHE  21  17.195   5.341   5.522
  171    HB3  PHE  21           HB3      PHE  21  16.523   6.792   4.789
  172    HD1  PHE  21           HD1      PHE  21  16.567   8.930   6.641
  173    HD2  PHE  21           HD2      PHE  21  19.440   5.744   6.152
  174    HE1  PHE  21           HE1      PHE  21  18.327  10.351   7.619
  175    HE2  PHE  21           HE2      PHE  21  21.166   7.142   7.100
  176    HZ   PHE  21           HZ       PHE  21  20.632   9.479   7.890
  177    H    ALA  22           H        ALA  22  14.832   3.800   5.593
  178    HA   ALA  22           HA       ALA  22  13.165   4.815   3.506
  179    HB1  ALA  22           HB1      ALA  22  14.404   2.733   3.245
  180    HB2  ALA  22           HB2      ALA  22  13.559   2.018   4.609
  181    HB3  ALA  22           HB3      ALA  22  12.665   2.397   3.116
  182    H    LYS  23           H        LYS  23  12.299   3.511   6.789
  183    HA   LYS  23           HA       LYS  23   9.494   3.711   6.170
  184    HB2  LYS  23           HB2      LYS  23   9.055   3.106   8.407
  185    HB3  LYS  23           HB3      LYS  23  10.454   2.166   7.866
  186    HG2  LYS  23           HG2      LYS  23  11.938   3.781   9.052
  187    HG3  LYS  23           HG3      LYS  23  10.532   4.604   9.705
  188    HD2  LYS  23           HD2      LYS  23  11.325   1.695  10.172
  189    HD3  LYS  23           HD3      LYS  23  11.583   3.003  11.310
  190    HE2  LYS  23           HE2      LYS  23   8.828   2.026  10.373
  191    HE3  LYS  23           HE3      LYS  23   9.638   1.504  11.844
  192    HZ1  LYS  23           HZ1      LYS  23   8.069   3.243  12.337
  193    HZ2  LYS  23           HZ2      LYS  23   9.563   3.801  12.661
  194    HZ3  LYS  23           HZ3      LYS  23   8.762   4.301  11.314
  195    H    THR  24           H        THR  24  11.840   6.032   7.260
  196    HA   THR  24           HA       THR  24   9.972   8.114   7.983
  197    HB   THR  24           HB       THR  24  12.906   7.672   7.521
  198    HG1  THR  24           HG1      THR  24  11.454   8.837   9.674
  199   HG21  THR  24          HG21      THR  24  12.749   9.751   6.380
  200   HG22  THR  24          HG22      THR  24  11.867  10.483   7.747
  201   HG23  THR  24          HG23      THR  24  13.561   9.931   7.937
  202    H    LEU  25           H        LEU  25  11.978   7.441   5.102
  203    HA   LEU  25           HA       LEU  25  10.993   9.742   3.695
  204    HB2  LEU  25           HB2      LEU  25  12.857   7.472   3.039
  205    HB3  LEU  25           HB3      LEU  25  12.478   8.733   1.859
  206    HG   LEU  25           HG       LEU  25  13.765   9.215   4.558
  207   HD11  LEU  25          HD11      LEU  25  15.270   7.911   3.093
  208   HD12  LEU  25          HD12      LEU  25  14.962   9.048   1.761
  209   HD13  LEU  25          HD13      LEU  25  15.847   9.571   3.215
  210   HD21  LEU  25          HD21      LEU  25  13.391  11.043   2.138
  211   HD22  LEU  25          HD22      LEU  25  12.581  11.217   3.716
  212   HD23  LEU  25          HD23      LEU  25  14.328  11.443   3.595
  213    H    GLY  26           H        GLY  26  10.292   6.295   3.663
  214    HA2  GLY  26           HA2      GLY  26   8.707   6.361   1.164
  215    HA3  GLY  26           HA3      GLY  26   9.312   4.960   2.082
  216    H    ALA  27           H        ALA  27   7.973   7.377   4.080
  217    HA   ALA  27           HA       ALA  27   6.144   5.614   5.278
  218    HB1  ALA  27           HB1      ALA  27   5.479   7.589   6.593
  219    HB2  ALA  27           HB2      ALA  27   7.241   7.604   6.380
  220    HB3  ALA  27           HB3      ALA  27   6.230   8.674   5.398
  221    H    GLY  28           H        GLY  28   4.187   4.954   4.635
  222    HA2  GLY  28           HA2      GLY  28   2.021   5.075   3.833
  223    HA3  GLY  28           HA3      GLY  28   2.262   6.800   3.475
  224    H    LYS  29           H        LYS  29   4.744   4.952   2.057
  225    HA   LYS  29           HA       LYS  29   3.371   4.864  -0.560
  226    HB2  LYS  29           HB2      LYS  29   6.202   5.619   0.185
  227    HB3  LYS  29           HB3      LYS  29   5.617   5.411  -1.471
  228    HG2  LYS  29           HG2      LYS  29   4.445   7.397   0.517
  229    HG3  LYS  29           HG3      LYS  29   5.741   7.803  -0.611
  230    HD2  LYS  29           HD2      LYS  29   4.225   7.168  -2.518
  231    HD3  LYS  29           HD3      LYS  29   2.913   6.919  -1.343
  232    HE2  LYS  29           HE2      LYS  29   3.121   9.276  -0.596
  233    HE3  LYS  29           HE3      LYS  29   4.438   9.530  -1.750
  234    HZ1  LYS  29           HZ1      LYS  29   2.339  10.323  -2.641
  235    HZ2  LYS  29           HZ2      LYS  29   2.852   9.067  -3.548
  236    HZ3  LYS  29           HZ3      LYS  29   1.631   8.862  -2.470
  237    H    ILE  30           H        ILE  30   5.640   3.408   1.755
  238    HA   ILE  30           HA       ILE  30   5.347   0.779   0.430
  239    HB   ILE  30           HB       ILE  30   7.787   0.408   0.763
  240   HG12  ILE  30          HG12      ILE  30   8.228   3.380   0.978
  241   HG13  ILE  30          HG13      ILE  30   7.969   2.441   2.447
  242   HG21  ILE  30          HG21      ILE  30   6.716   1.133  -1.410
  243   HG22  ILE  30          HG22      ILE  30   7.321   2.775  -1.096
  244   HG23  ILE  30          HG23      ILE  30   8.462   1.432  -1.253
  245   HD11  ILE  30          HD11      ILE  30   9.853   0.959   1.869
  246   HD12  ILE  30          HD12      ILE  30  10.205   1.995   0.446
  247   HD13  ILE  30          HD13      ILE  30  10.326   2.646   2.102
  248    H    ALA  31           H        ALA  31   6.527  -0.820   1.914
  249    HA   ALA  31           HA       ALA  31   6.111  -0.269   4.818
  250    HB1  ALA  31           HB1      ALA  31   5.580  -2.867   3.287
  251    HB2  ALA  31           HB2      ALA  31   5.568  -2.704   5.055
  252    HB3  ALA  31           HB3      ALA  31   4.347  -1.856   4.082
  253    H    VAL  32           H        VAL  32   7.906  -1.101   6.021
  254    HA   VAL  32           HA       VAL  32  10.250  -1.860   4.409
  255    HB   VAL  32           HB       VAL  32  10.303   0.105   6.697
  256   HG11  VAL  32          HG11      VAL  32  12.183   0.940   5.776
  257   HG12  VAL  32          HG12      VAL  32  12.367  -0.788   5.452
  258   HG13  VAL  32          HG13      VAL  32  11.824   0.315   4.139
  259   HG21  VAL  32          HG21      VAL  32   8.629   1.283   5.500
  260   HG22  VAL  32          HG22      VAL  32  10.130   2.003   4.918
  261   HG23  VAL  32          HG23      VAL  32   9.312   0.825   3.929
  262    H    THR  33           H        THR  33  11.749  -3.290   5.384
  263    HA   THR  33           HA       THR  33  11.658  -3.825   8.295
  264    HB   THR  33           HB       THR  33  11.638  -6.079   6.353
  265    HG1  THR  33           HG1      THR  33   9.312  -4.920   7.510
  266   HG21  THR  33          HG21      THR  33  10.916  -5.899   9.303
  267   HG22  THR  33          HG22      THR  33  10.662  -7.345   8.299
  268   HG23  THR  33          HG23      THR  33  12.297  -6.757   8.577
  269    H    SER  34           H        SER  34  13.708  -5.048   8.986
  270    HA   SER  34           HA       SER  34  15.791  -5.263   6.906
  271    HB2  SER  34           HB2      SER  34  17.517  -4.498   8.447
  272    HB3  SER  34           HB3      SER  34  16.390  -3.233   7.956
  273    HG   SER  34           HG       SER  34  15.364  -3.334   9.919
  274    H    CYS  35           H        CYS  35  17.579  -6.862   7.597
  275    HA   CYS  35           HA       CYS  35  16.869  -8.631   9.808
  276    HB2  CYS  35           HB2      CYS  35  16.576 -10.658   8.427
  277    HB3  CYS  35           HB3      CYS  35  15.350  -9.437   8.040
  278    HG   CYS  35           HG       CYS  35  16.384  -8.509   5.933
  279    H    GLY  36           H        GLY  36  18.455 -10.468   9.971
  280    HA2  GLY  36           HA2      GLY  36  20.644 -11.278   9.942
  281    HA3  GLY  36           HA3      GLY  36  21.003 -10.237   8.556
  282    H    LEU  37           H        LEU  37  19.744  -9.354  11.802
  283    HA   LEU  37           HA       LEU  37  21.561  -7.084  12.024
  284    HB2  LEU  37           HB2      LEU  37  19.375  -8.237  13.812
  285    HB3  LEU  37           HB3      LEU  37  20.463  -6.969  14.353
  286    HG   LEU  37           HG       LEU  37  19.667  -5.711  12.158
  287   HD11  LEU  37          HD11      LEU  37  18.215  -7.668  11.430
  288   HD12  LEU  37          HD12      LEU  37  17.186  -7.337  12.850
  289   HD13  LEU  37          HD13      LEU  37  17.382  -6.123  11.571
  290   HD21  LEU  37          HD21      LEU  37  18.169  -5.985  14.800
  291   HD22  LEU  37          HD22      LEU  37  19.392  -4.791  14.378
  292   HD23  LEU  37          HD23      LEU  37  17.796  -4.714  13.612
  293    H    GLU  38           H        GLU  38  23.455  -8.746  11.750
  294    HA   GLU  38           HA       GLU  38  25.151 -10.008  12.515
  295    HB2  GLU  38           HB2      GLU  38  25.155  -7.703  13.845
  296    HB3  GLU  38           HB3      GLU  38  24.863  -8.794  15.217
  297    HG2  GLU  38           HG2      GLU  38  26.973  -9.982  14.732
  298    HG3  GLU  38           HG3      GLU  38  27.174  -9.079  13.232
  299    H    SER  39           H        SER  39  22.481 -11.059  12.939
  300    HA   SER  39           HA       SER  39  21.338 -12.810  13.864
  301    HB2  SER  39           HB2      SER  39  24.155 -13.721  14.559
  302    HB3  SER  39           HB3      SER  39  22.716 -14.773  14.553
  303    HG   SER  39           HG       SER  39  23.926 -14.909  12.582
  304    H    SER  40           H        SER  40  21.724 -10.446  15.425
  305    HA   SER  40           HA       SER  40  21.388 -11.361  18.230
  306    HB2  SER  40           HB2      SER  40  23.286  -9.183  17.224
  307    HB3  SER  40           HB3      SER  40  23.022  -9.649  18.909
  308    HG   SER  40           HG       SER  40  24.285 -11.121  16.843
  309    H    ARG  41           H        ARG  41  21.141  -8.963  19.424
  310    HA   ARG  41           HA       ARG  41  18.655  -7.864  18.348
  311    HB2  ARG  41           HB2      ARG  41  19.834  -8.093  20.936
  312    HB3  ARG  41           HB3      ARG  41  19.969  -6.382  20.563
  313    HG2  ARG  41           HG2      ARG  41  17.862  -6.648  21.650
  314    HG3  ARG  41           HG3      ARG  41  17.482  -6.455  19.931
  315    HD2  ARG  41           HD2      ARG  41  17.516  -9.068  19.842
  316    HD3  ARG  41           HD3      ARG  41  17.492  -9.010  21.597
  317    HE   ARG  41           HE       ARG  41  15.441  -7.899  19.718
  318   HH11  ARG  41          HH11      ARG  41  16.162  -9.140  22.979
  319   HH12  ARG  41          HH12      ARG  41  14.515  -9.131  23.502
  320   HH21  ARG  41          HH21      ARG  41  13.244  -7.898  20.419
  321   HH22  ARG  41          HH22      ARG  41  12.824  -8.418  22.007
  322    H    VAL  42           H        VAL  42  18.597  -5.287  18.585
  323    HA   VAL  42           HA       VAL  42  20.153  -4.040  16.559
  324    HB   VAL  42           HB       VAL  42  19.151  -2.014  17.393
  325   HG11  VAL  42          HG11      VAL  42  17.645  -3.638  16.204
  326   HG12  VAL  42          HG12      VAL  42  17.006  -4.139  17.784
  327   HG13  VAL  42          HG13      VAL  42  16.809  -2.468  17.233
  328   HG21  VAL  42          HG21      VAL  42  18.286  -3.481  19.921
  329   HG22  VAL  42          HG22      VAL  42  19.553  -2.240  19.824
  330   HG23  VAL  42          HG23      VAL  42  17.876  -1.813  19.482
  331    H    HIS  43           H        HIS  43  21.374  -2.023  17.005
  332    HA   HIS  43           HA       HIS  43  23.510  -2.555  19.012
  333    HB2  HIS  43           HB2      HIS  43  24.051  -3.264  16.733
  334    HB3  HIS  43           HB3      HIS  43  23.649  -1.674  16.107
  335    HD1  HIS  43           HD1      HIS  43  26.227  -3.179  18.644
  336    HD2  HIS  43           HD2      HIS  43  25.622   0.028  15.987
  337    HE1  HIS  43           HE1      HIS  43  28.376  -1.819  18.660
  338    HA   PRO  44           HA       PRO  44  21.734   1.387  20.190
  339    HB2  PRO  44           HB2      PRO  44  23.335   2.130  22.268
  340    HB3  PRO  44           HB3      PRO  44  22.214   0.731  22.376
  341    HG2  PRO  44           HG2      PRO  44  25.142   0.699  21.549
  342    HG3  PRO  44           HG3      PRO  44  24.384  -0.239  22.903
  343    HD2  PRO  44           HD2      PRO  44  24.647  -1.450  20.544
  344    HD3  PRO  44           HD3      PRO  44  23.028  -1.534  21.329
  345    H    THR  45           H        THR  45  25.256   1.181  19.343
  346    HA   THR  45           HA       THR  45  25.659   3.914  19.223
  347    HB   THR  45           HB       THR  45  26.841   1.971  17.199
  348    HG1  THR  45           HG1      THR  45  27.831   1.013  18.726
  349   HG21  THR  45          HG21      THR  45  27.498   4.277  16.781
  350   HG22  THR  45          HG22      THR  45  27.943   4.501  18.486
  351   HG23  THR  45          HG23      THR  45  28.874   3.394  17.445
  352    H    ALA  46           H        ALA  46  23.980   1.718  16.959
  353    HA   ALA  46           HA       ALA  46  23.855   3.581  14.768
  354    HB1  ALA  46           HB1      ALA  46  21.827   1.366  15.323
  355    HB2  ALA  46           HB2      ALA  46  22.340   2.026  13.750
  356    HB3  ALA  46           HB3      ALA  46  23.444   1.013  14.706
  357    H    ILE  47           H        ILE  47  21.741   2.752  17.519
  358    HA   ILE  47           HA       ILE  47  19.567   4.424  16.800
  359    HB   ILE  47           HB       ILE  47  20.520   3.316  19.400
  360   HG12  ILE  47          HG12      ILE  47  18.302   2.218  19.346
  361   HG13  ILE  47          HG13      ILE  47  18.003   2.894  17.731
  362   HG21  ILE  47          HG21      ILE  47  19.514   5.450  20.094
  363   HG22  ILE  47          HG22      ILE  47  18.093   5.136  19.072
  364   HG23  ILE  47          HG23      ILE  47  18.425   4.136  20.502
  365   HD11  ILE  47          HD11      ILE  47  18.649   0.510  17.784
  366   HD12  ILE  47          HD12      ILE  47  19.833   1.477  16.867
  367   HD13  ILE  47          HD13      ILE  47  20.192   0.926  18.529
  368    H    ALA  48           H        ALA  48  22.443   5.129  18.904
  369    HA   ALA  48           HA       ALA  48  21.753   7.817  19.391
  370    HB1  ALA  48           HB1      ALA  48  23.531   6.660  20.630
  371    HB2  ALA  48           HB2      ALA  48  24.544   6.608  19.158
  372    HB3  ALA  48           HB3      ALA  48  24.122   8.173  19.903
  373    H    MET  49           H        MET  49  23.654   6.423  16.731
  374    HA   MET  49           HA       MET  49  24.281   8.839  15.400
  375    HB2  MET  49           HB2      MET  49  23.961   5.979  14.432
  376    HB3  MET  49           HB3      MET  49  24.485   7.269  13.361
  377    HG2  MET  49           HG2      MET  49  25.933   6.714  15.968
  378    HG3  MET  49           HG3      MET  49  26.251   5.799  14.511
  379    HE1  MET  49           HE1      MET  49  26.219   9.552  16.027
  380    HE2  MET  49           HE2      MET  49  27.414   8.395  16.645
  381    HE3  MET  49           HE3      MET  49  27.945   9.797  15.677
  382    H    MET  50           H        MET  50  21.246   7.088  15.508
  383    HA   MET  50           HA       MET  50  20.298   8.632  13.150
  384    HB2  MET  50           HB2      MET  50  18.845   6.514  14.769
  385    HB3  MET  50           HB3      MET  50  18.389   7.175  13.201
  386    HG2  MET  50           HG2      MET  50  20.151   4.985  13.828
  387    HG3  MET  50           HG3      MET  50  19.344   5.385  12.350
  388    HE1  MET  50           HE1      MET  50  22.863   4.496  11.199
  389    HE2  MET  50           HE2      MET  50  23.004   4.360  12.962
  390    HE3  MET  50           HE3      MET  50  21.514   3.802  12.156
  391    H    GLU  51           H        GLU  51  19.909   8.371  16.678
  392    HA   GLU  51           HA       GLU  51  17.807  10.255  16.896
  393    HB2  GLU  51           HB2      GLU  51  18.538   8.685  18.703
  394    HB3  GLU  51           HB3      GLU  51  20.085   9.529  18.829
  395    HG2  GLU  51           HG2      GLU  51  18.917  11.587  19.563
  396    HG3  GLU  51           HG3      GLU  51  17.358  10.790  19.357
  397    H    GLU  52           H        GLU  52  21.358  10.606  16.634
  398    HA   GLU  52           HA       GLU  52  21.228  13.443  16.923
  399    HB2  GLU  52           HB2      GLU  52  23.524  13.542  16.556
  400    HB3  GLU  52           HB3      GLU  52  23.193  12.154  17.587
  401    HG2  GLU  52           HG2      GLU  52  24.202  10.738  16.224
  402    HG3  GLU  52           HG3      GLU  52  23.349  11.338  14.790
  403    H    VAL  53           H        VAL  53  19.844  11.778  14.594
  404    HA   VAL  53           HA       VAL  53  20.192  13.904  12.526
  405    HB   VAL  53           HB       VAL  53  19.398  10.973  12.282
  406   HG11  VAL  53          HG11      VAL  53  19.062  11.349   9.877
  407   HG12  VAL  53          HG12      VAL  53  17.849  12.142  10.884
  408   HG13  VAL  53          HG13      VAL  53  19.164  13.108  10.149
  409   HG21  VAL  53          HG21      VAL  53  21.262  10.865  10.708
  410   HG22  VAL  53          HG22      VAL  53  21.627  12.585  10.996
  411   HG23  VAL  53          HG23      VAL  53  21.788  11.396  12.315
  412    H    GLY  54           H        GLY  54  17.936  11.805  14.349
  413    HA2  GLY  54           HA2      GLY  54  15.945  12.953  15.329
  414    HA3  GLY  54           HA3      GLY  54  15.670  13.664  13.729
  415    H    ILE  55           H        ILE  55  16.832  10.311  14.194
  416    HA   ILE  55           HA       ILE  55  14.227   9.248  13.313
  417    HB   ILE  55           HB       ILE  55  16.919   8.450  12.197
  418   HG12  ILE  55          HG12      ILE  55  14.504   9.952  11.093
  419   HG13  ILE  55          HG13      ILE  55  16.167  10.541  11.269
  420   HG21  ILE  55          HG21      ILE  55  15.595   6.878  10.765
  421   HG22  ILE  55          HG22      ILE  55  15.469   6.446  12.438
  422   HG23  ILE  55          HG23      ILE  55  14.127   7.315  11.643
  423   HD11  ILE  55          HD11      ILE  55  15.859  10.073   8.981
  424   HD12  ILE  55          HD12      ILE  55  16.856   8.739   9.632
  425   HD13  ILE  55          HD13      ILE  55  15.105   8.501   9.340
  426    H    ASP  56           H        ASP  56  14.012   6.924  14.010
  427    HA   ASP  56           HA       ASP  56  15.578   6.192  16.433
  428    HB2  ASP  56           HB2      ASP  56  13.612   7.450  17.188
  429    HB3  ASP  56           HB3      ASP  56  12.547   6.436  16.211
  430    H    ILE  57           H        ILE  57  16.105   4.003  16.286
  431    HA   ILE  57           HA       ILE  57  14.599   2.271  14.448
  432    HB   ILE  57           HB       ILE  57  16.540   1.562  13.315
  433   HG12  ILE  57          HG12      ILE  57  18.274   3.604  14.766
  434   HG13  ILE  57          HG13      ILE  57  18.267   1.871  15.107
  435   HG21  ILE  57          HG21      ILE  57  16.730   4.599  13.202
  436   HG22  ILE  57          HG22      ILE  57  16.912   3.417  11.884
  437   HG23  ILE  57          HG23      ILE  57  15.326   3.718  12.578
  438   HD11  ILE  57          HD11      ILE  57  20.115   2.474  13.647
  439   HD12  ILE  57          HD12      ILE  57  19.001   1.391  12.797
  440   HD13  ILE  57          HD13      ILE  57  19.015   3.131  12.423
  441    H    SER  58           H        SER  58  15.344   2.640  17.545
  442    HA   SER  58           HA       SER  58  16.460   0.104  18.221
  443    HB2  SER  58           HB2      SER  58  14.879   1.217  20.331
  444    HB3  SER  58           HB3      SER  58  16.647   1.148  20.158
  445    HG   SER  58           HG       SER  58  15.666   3.316  20.435
  446    H    GLY  59           H        GLY  59  15.336  -1.713  18.991
  447    HA2  GLY  59           HA2      GLY  59  13.690  -3.273  19.003
  448    HA3  GLY  59           HA3      GLY  59  12.536  -1.947  19.207
  449    H    GLN  60           H        GLN  60  14.142  -1.314  16.242
  450    HA   GLN  60           HA       GLN  60  11.957  -1.836  14.636
  451    HB2  GLN  60           HB2      GLN  60  14.892  -1.423  14.141
  452    HB3  GLN  60           HB3      GLN  60  14.036  -2.259  12.858
  453    HG2  GLN  60           HG2      GLN  60  12.337  -0.504  12.774
  454    HG3  GLN  60           HG3      GLN  60  13.189   0.371  14.075
  455   HE21  GLN  60          HE22      GLN  60  14.910  -1.245  11.308
  456   HE22  GLN  60          HE21      GLN  60  15.655   0.255  10.794
  457    H    THR  61           H        THR  61  14.812  -3.929  14.883
  458    HA   THR  61           HA       THR  61  13.263  -6.318  14.144
  459    HB   THR  61           HB       THR  61  15.113  -6.602  12.325
  460    HG1  THR  61           HG1      THR  61  15.785  -4.498  11.527
  461   HG21  THR  61          HG21      THR  61  12.670  -6.220  11.889
  462   HG22  THR  61          HG22      THR  61  12.997  -4.465  11.840
  463   HG23  THR  61          HG23      THR  61  13.743  -5.526  10.672
  464    H    SER  62           H        SER  62  14.572  -8.312  14.383
  465    HA   SER  62           HA       SER  62  17.235  -8.300  15.519
  466    HB2  SER  62           HB2      SER  62  14.837  -8.947  17.297
  467    HB3  SER  62           HB3      SER  62  16.491  -9.455  17.662
  468    HG   SER  62           HG       SER  62  16.030  -6.734  17.158
  469    H    ASP  63           H        ASP  63  16.221  -9.494  13.117
  470    HA   ASP  63           HA       ASP  63  15.950 -12.372  13.859
  471    HB2  ASP  63           HB2      ASP  63  14.030 -10.714  12.211
  472    HB3  ASP  63           HB3      ASP  63  14.163 -12.456  12.033
  473    HA   PRO  64           HA       PRO  64  18.667 -12.867  10.397
  474    HB2  PRO  64           HB2      PRO  64  18.652 -15.562  10.068
  475    HB3  PRO  64           HB3      PRO  64  19.237 -14.801  11.580
  476    HG2  PRO  64           HG2      PRO  64  16.493 -15.976  11.023
  477    HG3  PRO  64           HG3      PRO  64  17.568 -16.291  12.421
  478    HD2  PRO  64           HD2      PRO  64  15.542 -14.440  12.505
  479    HD3  PRO  64           HD3      PRO  64  17.076 -14.233  13.405
  480    H    ILE  65           H        ILE  65  18.828 -13.641   8.161
  481    HA   ILE  65           HA       ILE  65  16.621 -12.902   6.549
  482    HB   ILE  65           HB       ILE  65  19.008 -12.684   5.913
  483   HG12  ILE  65          HG12      ILE  65  17.264 -14.285   4.003
  484   HG13  ILE  65          HG13      ILE  65  17.474 -12.539   4.131
  485   HG21  ILE  65          HG21      ILE  65  19.821 -14.899   6.871
  486   HG22  ILE  65          HG22      ILE  65  19.129 -15.689   5.439
  487   HG23  ILE  65          HG23      ILE  65  20.432 -14.505   5.274
  488   HD11  ILE  65          HD11      ILE  65  19.871 -12.856   3.332
  489   HD12  ILE  65          HD12      ILE  65  19.477 -14.568   3.065
  490   HD13  ILE  65          HD13      ILE  65  18.606 -13.317   2.174
  491    H    GLU  66           H        GLU  66  17.748 -16.071   7.615
  492    HA   GLU  66           HA       GLU  66  16.228 -17.538   5.738
  493    HB2  GLU  66           HB2      GLU  66  17.583 -18.178   8.381
  494    HB3  GLU  66           HB3      GLU  66  16.715 -19.437   7.471
  495    HG2  GLU  66           HG2      GLU  66  18.171 -18.969   5.492
  496    HG3  GLU  66           HG3      GLU  66  19.082 -17.807   6.457
  497    H    ASN  67           H        ASN  67  15.239 -16.081   8.757
  498    HA   ASN  67           HA       ASN  67  12.857 -17.683   8.980
  499    HB2  ASN  67           HB2      ASN  67  12.684 -16.790  10.996
  500    HB3  ASN  67           HB3      ASN  67  14.187 -15.920  10.718
  501   HD21  ASN  67          HD22      ASN  67  14.040 -13.735   9.712
  502   HD22  ASN  67          HD21      ASN  67  12.604 -12.782   9.982
  503    H    PHE  68           H        PHE  68  13.827 -15.069   6.876
  504    HA   PHE  68           HA       PHE  68  11.075 -14.073   6.642
  505    HB2  PHE  68           HB2      PHE  68  13.743 -12.954   5.746
  506    HB3  PHE  68           HB3      PHE  68  12.219 -12.319   5.154
  507    HD1  PHE  68           HD2      PHE  68  10.397 -11.708   6.971
  508    HD2  PHE  68           HD1      PHE  68  14.617 -12.024   7.764
  509    HE1  PHE  68           HE2      PHE  68  10.126 -10.280   8.976
  510    HE2  PHE  68           HE1      PHE  68  14.341 -10.571   9.772
  511    HZ   PHE  68           HZ       PHE  68  12.099  -9.685  10.368
  512    H    ASN  69           H        ASN  69  10.435 -13.473   4.358
  513    HA   ASN  69           HA       ASN  69  10.988 -15.588   2.368
  514    HB2  ASN  69           HB2      ASN  69   8.458 -15.884   2.163
  515    HB3  ASN  69           HB3      ASN  69   9.315 -16.732   3.436
  516   HD21  ASN  69          HD22      ASN  69   7.670 -13.522   3.046
  517   HD22  ASN  69          HD21      ASN  69   6.810 -13.615   4.583
  518    H    ALA  70           H        ALA  70  11.996 -13.945   1.198
  519    HA   ALA  70           HA       ALA  70  11.097 -11.374   0.748
  520    HB1  ALA  70           HB1      ALA  70  12.464 -11.525  -1.344
  521    HB2  ALA  70           HB2      ALA  70  13.285 -12.041   0.126
  522    HB3  ALA  70           HB3      ALA  70  12.677 -13.260  -1.050
  523    H    ASP  71           H        ASP  71   9.946 -14.341  -0.732
  524    HA   ASP  71           HA       ASP  71   8.813 -13.345  -3.124
  525    HB2  ASP  71           HB2      ASP  71   8.861 -15.759  -2.652
  526    HB3  ASP  71           HB3      ASP  71   7.746 -15.531  -1.298
  527    H    ASP  72           H        ASP  72   7.712 -13.137   0.238
  528    HA   ASP  72           HA       ASP  72   5.033 -12.207  -0.400
  529    HB2  ASP  72           HB2      ASP  72   5.652 -13.332   1.733
  530    HB3  ASP  72           HB3      ASP  72   6.651 -11.929   2.156
  531    H    TYR  73           H        TYR  73   8.083 -10.666  -0.636
  532    HA   TYR  73           HA       TYR  73   7.038  -8.005  -0.021
  533    HB2  TYR  73           HB2      TYR  73   9.957  -8.887  -0.186
  534    HB3  TYR  73           HB3      TYR  73   9.381  -7.276   0.201
  535    HD1  TYR  73           HD1      TYR  73   8.897 -10.792   1.507
  536    HD2  TYR  73           HD2      TYR  73   9.608  -6.642   2.431
  537    HE1  TYR  73           HE1      TYR  73   8.870 -11.343   3.893
  538    HE2  TYR  73           HE2      TYR  73   9.554  -7.170   4.837
  539    HH   TYR  73           HH       TYR  73   9.203  -8.822   6.469
  540    H    ASP  74           H        ASP  74   7.781  -6.241  -1.466
  541    HA   ASP  74           HA       ASP  74   7.889  -7.166  -4.266
  542    HB2  ASP  74           HB2      ASP  74   7.466  -4.404  -3.050
  543    HB3  ASP  74           HB3      ASP  74   7.233  -4.837  -4.740
  544    H    VAL  75           H        VAL  75  10.113  -5.718  -1.896
  545    HA   VAL  75           HA       VAL  75  12.061  -5.179  -4.093
  546    HB   VAL  75           HB       VAL  75  10.881  -3.352  -2.129
  547   HG11  VAL  75          HG11      VAL  75  13.531  -3.054  -2.503
  548   HG12  VAL  75          HG12      VAL  75  12.908  -2.034  -3.817
  549   HG13  VAL  75          HG13      VAL  75  12.377  -1.726  -2.200
  550   HG21  VAL  75          HG21      VAL  75  10.478  -1.796  -4.013
  551   HG22  VAL  75          HG22      VAL  75  10.942  -3.123  -5.108
  552   HG23  VAL  75          HG23      VAL  75   9.532  -3.270  -4.041
  553    H    VAL  76           H        VAL  76  14.089  -5.968  -3.488
  554    HA   VAL  76           HA       VAL  76  14.610  -6.365  -0.584
  555    HB   VAL  76           HB       VAL  76  14.857  -8.187  -2.992
  556   HG11  VAL  76          HG11      VAL  76  16.740  -8.480  -0.617
  557   HG12  VAL  76          HG12      VAL  76  16.568  -9.562  -2.046
  558   HG13  VAL  76          HG13      VAL  76  17.228  -7.964  -2.234
  559   HG21  VAL  76          HG21      VAL  76  14.346  -8.783  -0.037
  560   HG22  VAL  76          HG22      VAL  76  13.067  -8.453  -1.206
  561   HG23  VAL  76          HG23      VAL  76  14.111  -9.877  -1.415
  562    H    ILE  77           H        ILE  77  16.404  -5.498   0.069
  563    HA   ILE  77           HA       ILE  77  18.433  -4.505  -1.861
  564    HB   ILE  77           HB       ILE  77  17.263  -3.092   0.571
  565   HG12  ILE  77          HG12      ILE  77  15.618  -3.048  -1.256
  566   HG13  ILE  77          HG13      ILE  77  16.276  -1.481  -0.906
  567   HG21  ILE  77          HG21      ILE  77  18.596  -1.193  -0.261
  568   HG22  ILE  77          HG22      ILE  77  19.622  -2.529   0.252
  569   HG23  ILE  77          HG23      ILE  77  19.358  -2.241  -1.479
  570   HD11  ILE  77          HD11      ILE  77  17.608  -1.472  -2.941
  571   HD12  ILE  77          HD12      ILE  77  17.346  -3.188  -3.209
  572   HD13  ILE  77          HD13      ILE  77  15.986  -2.065  -3.376
  573    H    SER  78           H        SER  78  19.695  -6.322  -1.419
  574    HA   SER  78           HA       SER  78  20.313  -6.961   1.381
  575    HB2  SER  78           HB2      SER  78  20.239  -8.829   0.018
  576    HB3  SER  78           HB3      SER  78  21.133  -8.050  -1.307
  577    HG   SER  78           HG       SER  78  22.950  -8.470  -0.436
  578    H    LEU  79           H        LEU  79  22.541  -6.620   2.242
  579    HA   LEU  79           HA       LEU  79  24.152  -4.600   0.770
  580    HB2  LEU  79           HB2      LEU  79  23.630  -4.540   3.769
  581    HB3  LEU  79           HB3      LEU  79  24.866  -3.635   2.904
  582    HG   LEU  79           HG       LEU  79  23.064  -2.457   1.626
  583   HD11  LEU  79          HD11      LEU  79  21.259  -3.948   3.466
  584   HD12  LEU  79          HD12      LEU  79  20.869  -2.254   3.065
  585   HD13  LEU  79          HD13      LEU  79  21.034  -3.459   1.800
  586   HD21  LEU  79          HD21      LEU  79  23.183  -2.040   4.624
  587   HD22  LEU  79          HD22      LEU  79  24.344  -1.424   3.424
  588   HD23  LEU  79          HD23      LEU  79  22.678  -0.841   3.417
  589    H    CYS  80           H        CYS  80  24.083  -7.588   0.982
  590    HA   CYS  80           HA       CYS  80  26.147  -8.433   2.816
  591    HB2  CYS  80           HB2      CYS  80  24.786  -9.867   0.478
  592    HB3  CYS  80           HB3      CYS  80  25.908 -10.617   1.628
  593    HG   CYS  80           HG       CYS  80  22.863  -9.495   1.918
  594    H    GLY  81           H        GLY  81  26.337  -6.811  -0.215
  595    HA2  GLY  81           HA2      GLY  81  28.514  -5.959  -0.786
  596    HA3  GLY  81           HA3      GLY  81  29.255  -7.496  -0.348
  597    H    CYS  82           H        CYS  82  26.245  -7.296  -2.129
  598    HA   CYS  82           HA       CYS  82  25.522  -8.349  -3.931
  599    HB2  CYS  82           HB2      CYS  82  26.881  -6.306  -4.780
  600    HB3  CYS  82           HB3      CYS  82  28.002  -7.515  -5.440
  601    HG   CYS  82           HG       CYS  82  26.454  -6.742  -7.388
  602    H    GLY  83           H        GLY  83  26.134  -9.911  -5.842
  603    HA2  GLY  83           HA2      GLY  83  26.569 -12.066  -6.396
  604    HA3  GLY  83           HA3      GLY  83  28.159 -11.840  -5.648
  605    H    VAL  84           H        VAL  84  25.386 -11.505  -3.596
  606    HA   VAL  84           HA       VAL  84  26.169 -13.730  -1.951
  607    HB   VAL  84           HB       VAL  84  25.493 -11.828  -0.802
  608   HG11  VAL  84          HG11      VAL  84  24.347 -10.422  -2.270
  609   HG12  VAL  84          HG12      VAL  84  23.097 -11.620  -2.631
  610   HG13  VAL  84          HG13      VAL  84  23.141 -10.816  -1.051
  611   HG21  VAL  84          HG21      VAL  84  23.599 -12.500   0.588
  612   HG22  VAL  84          HG22      VAL  84  23.076 -13.685  -0.618
  613   HG23  VAL  84          HG23      VAL  84  24.628 -13.889   0.219
  614    H    ASN  85           H        ASN  85  25.249 -15.686  -1.845
  615    HA   ASN  85           HA       ASN  85  23.355 -16.566  -3.902
  616    HB2  ASN  85           HB2      ASN  85  24.721 -18.057  -1.610
  617    HB3  ASN  85           HB3      ASN  85  23.638 -18.800  -2.781
  618   HD21  ASN  85          HD22      ASN  85  24.291 -18.750  -5.140
  619   HD22  ASN  85          HD21      ASN  85  25.999 -18.710  -5.508
  620    H    LEU  86           H        LEU  86  21.863 -14.766  -2.901
  621    HA   LEU  86           HA       LEU  86  20.433 -15.346  -0.467
  622    HB2  LEU  86           HB2      LEU  86  19.380 -13.959  -2.969
  623    HB3  LEU  86           HB3      LEU  86  18.644 -13.929  -1.367
  624    HG   LEU  86           HG       LEU  86  21.353 -12.747  -1.990
  625   HD11  LEU  86          HD11      LEU  86  20.271 -10.558  -1.949
  626   HD12  LEU  86          HD12      LEU  86  19.564 -11.573  -3.217
  627   HD13  LEU  86          HD13      LEU  86  18.679 -11.320  -1.699
  628   HD21  LEU  86          HD21      LEU  86  19.549 -12.250   0.413
  629   HD22  LEU  86          HD22      LEU  86  20.972 -13.317   0.446
  630   HD23  LEU  86          HD23      LEU  86  21.177 -11.585   0.152
  631    HA   PRO  87           HA       PRO  87  18.079 -18.896  -1.885
  632    HB2  PRO  87           HB2      PRO  87  15.648 -17.657  -0.661
  633    HB3  PRO  87           HB3      PRO  87  16.294 -19.298  -0.449
  634    HG2  PRO  87           HG2      PRO  87  16.654 -17.386   1.485
  635    HG3  PRO  87           HG3      PRO  87  17.933 -18.571   1.093
  636    HD2  PRO  87           HD2      PRO  87  17.748 -15.681   0.260
  637    HD3  PRO  87           HD3      PRO  87  19.179 -16.655   0.723
  638    HA   PRO  88           HA       PRO  88  16.438 -17.555  -5.594
  639    HB2  PRO  88           HB2      PRO  88  14.768 -19.574  -6.513
  640    HB3  PRO  88           HB3      PRO  88  16.542 -19.725  -6.346
  641    HG2  PRO  88           HG2      PRO  88  14.405 -20.554  -4.361
  642    HG3  PRO  88           HG3      PRO  88  15.792 -21.522  -4.970
  643    HD2  PRO  88           HD2      PRO  88  15.926 -20.226  -2.601
  644    HD3  PRO  88           HD3      PRO  88  17.345 -20.261  -3.693
  645    H    GLU  89           H        GLU  89  14.160 -17.381  -3.084
  646    HA   GLU  89           HA       GLU  89  12.073 -16.275  -4.787
  647    HB2  GLU  89           HB2      GLU  89  11.008 -15.734  -2.674
  648    HB3  GLU  89           HB3      GLU  89  11.300 -17.472  -2.894
  649    HG2  GLU  89           HG2      GLU  89  13.239 -17.275  -1.328
  650    HG3  GLU  89           HG3      GLU  89  12.834 -15.565  -1.096
  651    H    TRP  90           H        TRP  90  14.920 -15.181  -3.148
  652    HA   TRP  90           HA       TRP  90  14.037 -12.442  -2.912
  653    HB2  TRP  90           HB2      TRP  90  16.824 -13.559  -2.619
  654    HB3  TRP  90           HB3      TRP  90  16.236 -11.940  -2.196
  655    HD1  TRP  90           HD1      TRP  90  15.257 -15.536  -0.989
  656    HE1  TRP  90           HE1      TRP  90  14.808 -15.420   1.540
  657    HE3  TRP  90           HE3      TRP  90  16.296 -10.673  -0.244
  658    HZ2  TRP  90           HZ2      TRP  90  14.733 -13.368   3.592
  659    HZ3  TRP  90           HZ3      TRP  90  15.999  -9.565   1.929
  660    HH2  TRP  90           HH2      TRP  90  15.199 -10.939   3.904
  661    H    VAL  91           H        VAL  91  14.062 -13.752  -5.558
  662    HA   VAL  91           HA       VAL  91  15.332 -11.541  -6.983
  663    HB   VAL  91           HB       VAL  91  15.790 -13.127  -8.885
  664   HG11  VAL  91          HG11      VAL  91  17.408 -13.657  -6.352
  665   HG12  VAL  91          HG12      VAL  91  17.955 -13.859  -8.030
  666   HG13  VAL  91          HG13      VAL  91  17.592 -12.246  -7.403
  667   HG21  VAL  91          HG21      VAL  91  15.635 -15.322  -6.809
  668   HG22  VAL  91          HG22      VAL  91  14.415 -15.052  -8.080
  669   HG23  VAL  91          HG23      VAL  91  16.074 -15.475  -8.519
  670    H    THR  92           H        THR  92  12.369 -13.006  -6.180
  671    HA   THR  92           HA       THR  92  11.170 -12.686  -8.838
  672    HB   THR  92           HB       THR  92   9.137 -13.466  -7.729
  673    HG1  THR  92           HG1      THR  92   9.118 -13.914  -5.568
  674   HG21  THR  92          HG21      THR  92  11.576 -15.091  -6.851
  675   HG22  THR  92          HG22      THR  92   9.931 -15.706  -7.160
  676   HG23  THR  92          HG23      THR  92  10.915 -15.076  -8.498
  677    H    GLN  93           H        GLN  93  11.840 -10.616  -6.271
  678    HA   GLN  93           HA       GLN  93   9.707  -8.886  -5.972
  679    HB2  GLN  93           HB2      GLN  93  12.727  -8.649  -5.740
  680    HB3  GLN  93           HB3      GLN  93  11.637  -7.406  -5.141
  681    HG2  GLN  93           HG2      GLN  93  12.511  -8.810  -3.331
  682    HG3  GLN  93           HG3      GLN  93  10.744  -9.015  -3.442
  683   HE21  GLN  93          HE22      GLN  93  10.230 -11.173  -3.221
  684   HE22  GLN  93          HE21      GLN  93  11.139 -12.458  -4.044
  685    H    GLU  94           H        GLU  94   9.698  -6.565  -6.586
  686    HA   GLU  94           HA       GLU  94   9.994  -6.024  -9.389
  687    HB2  GLU  94           HB2      GLU  94   8.209  -4.839  -8.612
  688    HB3  GLU  94           HB3      GLU  94   8.830  -4.747  -6.967
  689    HG2  GLU  94           HG2      GLU  94  10.191  -2.927  -7.381
  690    HG3  GLU  94           HG3      GLU  94   9.994  -3.032  -9.142
  691    H    ILE  95           H        ILE  95  11.646  -5.194  -6.324
  692    HA   ILE  95           HA       ILE  95  14.043  -4.467  -7.986
  693    HB   ILE  95           HB       ILE  95  13.306  -3.451  -5.247
  694   HG12  ILE  95          HG12      ILE  95  12.204  -2.252  -7.055
  695   HG13  ILE  95          HG13      ILE  95  13.328  -1.264  -6.105
  696   HG21  ILE  95          HG21      ILE  95  15.907  -3.157  -6.814
  697   HG22  ILE  95          HG22      ILE  95  15.445  -2.045  -5.521
  698   HG23  ILE  95          HG23      ILE  95  15.682  -3.759  -5.156
  699   HD11  ILE  95          HD11      ILE  95  13.326  -0.753  -8.534
  700   HD12  ILE  95          HD12      ILE  95  14.924  -1.255  -7.950
  701   HD13  ILE  95          HD13      ILE  95  13.907  -2.390  -8.886
  702    H    PHE  96           H        PHE  96  15.828  -5.620  -7.663
  703    HA   PHE  96           HA       PHE  96  16.300  -6.924  -5.089
  704    HB2  PHE  96           HB2      PHE  96  15.803  -8.973  -6.121
  705    HB3  PHE  96           HB3      PHE  96  16.435  -8.446  -7.690
  706    HD1  PHE  96           HD2      PHE  96  18.004  -8.206  -4.256
  707    HD2  PHE  96           HD1      PHE  96  18.255  -9.886  -8.217
  708    HE1  PHE  96           HE2      PHE  96  20.353  -8.850  -3.821
  709    HE2  PHE  96           HE1      PHE  96  20.570 -10.646  -7.729
  710    HZ   PHE  96           HZ       PHE  96  21.625 -10.126  -5.543
  711    H    GLU  97           H        GLU  97  17.924  -5.708  -4.468
  712    HA   GLU  97           HA       GLU  97  20.086  -5.023  -6.354
  713    HB2  GLU  97           HB2      GLU  97  18.130  -3.168  -5.337
  714    HB3  GLU  97           HB3      GLU  97  19.617  -2.861  -4.444
  715    HG2  GLU  97           HG2      GLU  97  19.421  -3.004  -7.483
  716    HG3  GLU  97           HG3      GLU  97  19.243  -1.529  -6.547
  717    H    ASP  98           H        ASP  98  21.983  -4.324  -5.064
  718    HA   ASP  98           HA       ASP  98  22.046  -5.299  -2.331
  719    HB2  ASP  98           HB2      ASP  98  22.837  -7.226  -3.648
  720    HB3  ASP  98           HB3      ASP  98  24.199  -6.238  -4.187
  721    H    TRP  99           H        TRP  99  22.392  -3.425  -1.444
  722    HA   TRP  99           HA       TRP  99  24.181  -1.361  -2.530
  723    HB2  TRP  99           HB2      TRP  99  22.361  -1.523  -0.095
  724    HB3  TRP  99           HB3      TRP  99  23.413  -0.157  -0.422
  725    HD1  TRP  99           HD1      TRP  99  22.332  -0.955  -3.764
  726    HE1  TRP  99           HE1      TRP  99  20.166   0.142  -4.453
  727    HE3  TRP  99           HE3      TRP  99  20.806   0.710   0.835
  728    HZ2  TRP  99           HZ2      TRP  99  17.837   1.263  -3.127
  729    HZ3  TRP  99           HZ3      TRP  99  18.550   1.738   1.086
  730    HH2  TRP  99           HH2      TRP  99  17.053   1.927  -0.866
  731    H    GLN 100           H        GLN 100  25.746  -3.030  -2.570
  732    HA   GLN 100           HA       GLN 100  27.301  -4.131  -0.617
  733    HB2  GLN 100           HB2      GLN 100  29.049  -4.003  -2.353
  734    HB3  GLN 100           HB3      GLN 100  27.480  -4.652  -2.868
  735    HG2  GLN 100           HG2      GLN 100  27.155  -2.068  -3.698
  736    HG3  GLN 100           HG3      GLN 100  28.904  -2.138  -3.716
  737   HE21  GLN 100          HE22      GLN 100  25.900  -3.619  -5.033
  738   HE22  GLN 100          HE21      GLN 100  26.663  -4.214  -6.494
  739    H    LEU 101           H        LEU 101  26.740  -1.757   0.702
  740    HA   LEU 101           HA       LEU 101  28.656   0.298   0.130
  741    HB2  LEU 101           HB2      LEU 101  26.156  -0.079   1.735
  742    HB3  LEU 101           HB3      LEU 101  27.279   0.936   2.579
  743    HG   LEU 101           HG       LEU 101  25.634   2.199   1.248
  744   HD11  LEU 101          HD11      LEU 101  28.526   2.572   0.316
  745   HD12  LEU 101          HD12      LEU 101  27.221   3.753   0.171
  746   HD13  LEU 101          HD13      LEU 101  27.780   3.265   1.782
  747   HD21  LEU 101          HD21      LEU 101  25.676   2.272  -1.155
  748   HD22  LEU 101          HD22      LEU 101  27.081   1.197  -1.254
  749   HD23  LEU 101          HD23      LEU 101  25.523   0.576  -0.684
  750    H    GLU 102           H        GLU 102  29.402   1.388   2.476
  751    HA   GLU 102           HA       GLU 102  31.715   0.092   3.273
  752    HB2  GLU 102           HB2      GLU 102  29.972   2.171   4.638
  753    HB3  GLU 102           HB3      GLU 102  31.558   1.693   5.286
  754    HG2  GLU 102           HG2      GLU 102  32.718   2.517   3.446
  755    HG3  GLU 102           HG3      GLU 102  31.290   2.621   2.415
  756    H    ASP 103           H        ASP 103  32.266  -0.599   5.415
  757    HA   ASP 103           HA       ASP 103  30.367  -2.617   6.564
  758    HB2  ASP 103           HB2      ASP 103  31.758  -3.653   4.866
  759    HB3  ASP 103           HB3      ASP 103  33.220  -3.022   5.622
  760    HA   PRO 104           HA       PRO 104  32.309   0.050   9.684
  761    HB2  PRO 104           HB2      PRO 104  30.145   0.659  11.252
  762    HB3  PRO 104           HB3      PRO 104  30.398   1.370   9.634
  763    HG2  PRO 104           HG2      PRO 104  28.716  -1.027  10.379
  764    HG3  PRO 104           HG3      PRO 104  28.257   0.361   9.335
  765    HD2  PRO 104           HD2      PRO 104  29.158  -2.079   8.393
  766    HD3  PRO 104           HD3      PRO 104  29.422  -0.523   7.528
  767    H    ASP 105           H        ASP 105  33.320  -2.167   9.964
  768    HA   ASP 105           HA       ASP 105  32.628  -3.928  12.108
  769    HB2  ASP 105           HB2      ASP 105  34.213  -4.501  10.281
  770    HB3  ASP 105           HB3      ASP 105  35.311  -3.248  10.805
  771    H    GLY 106           H        GLY 106  32.013  -2.369  13.804
  772    HA2  GLY 106           HA2      GLY 106  32.374  -1.247  15.781
  773    HA3  GLY 106           HA3      GLY 106  33.992  -1.967  15.810
  774    H    GLN 107           H        GLN 107  32.639   0.263  13.366
  775    HA   GLN 107           HA       GLN 107  35.046   1.686  13.124
  776    HB2  GLN 107           HB2      GLN 107  32.256   1.822  12.033
  777    HB3  GLN 107           HB3      GLN 107  33.136   3.316  11.925
  778    HG2  GLN 107           HG2      GLN 107  34.244   0.674  10.946
  779    HG3  GLN 107           HG3      GLN 107  33.339   1.833   9.948
  780   HE21  GLN 107          HE22      GLN 107  35.241   1.749   8.516
  781   HE22  GLN 107          HE21      GLN 107  36.588   2.797   8.895
  782    H    SER 108           H        SER 108  35.176   4.009  12.976
  783    HA   SER 108           HA       SER 108  34.737   5.380  15.490
  784    HB2  SER 108           HB2      SER 108  35.539   6.464  12.745
  785    HB3  SER 108           HB3      SER 108  35.696   7.318  14.287
  786    HG   SER 108           HG       SER 108  37.682   6.308  13.653
  787    H    LEU 109           H        LEU 109  33.240   7.205  15.787
  788    HA   LEU 109           HA       LEU 109  30.652   6.793  14.747
  789    HB2  LEU 109           HB2      LEU 109  31.834   9.319  15.961
  790    HB3  LEU 109           HB3      LEU 109  30.135   9.085  15.588
  791    HG   LEU 109           HG       LEU 109  31.765   7.649  17.703
  792   HD11  LEU 109          HD11      LEU 109  30.850   9.886  18.249
  793   HD12  LEU 109          HD12      LEU 109  29.211   9.326  17.843
  794   HD13  LEU 109          HD13      LEU 109  30.092   8.614  19.214
  795   HD21  LEU 109          HD21      LEU 109  28.984   6.909  16.701
  796   HD22  LEU 109          HD22      LEU 109  30.420   5.872  16.798
  797   HD23  LEU 109          HD23      LEU 109  29.641   6.422  18.280
  798    H    GLU 110           H        GLU 110  33.239   8.854  13.463
  799    HA   GLU 110           HA       GLU 110  31.643  10.354  11.663
  800    HB2  GLU 110           HB2      GLU 110  34.512   9.362  11.314
  801    HB3  GLU 110           HB3      GLU 110  33.727  10.618  10.333
  802    HG2  GLU 110           HG2      GLU 110  33.268  11.881  12.444
  803    HG3  GLU 110           HG3      GLU 110  34.263  10.696  13.309
  804    H    VAL 111           H        VAL 111  33.035   7.055  11.327
  805    HA   VAL 111           HA       VAL 111  32.111   6.944   8.584
  806    HB   VAL 111           HB       VAL 111  33.203   4.770  10.390
  807   HG11  VAL 111          HG11      VAL 111  32.554   4.803   7.412
  808   HG12  VAL 111          HG12      VAL 111  33.620   3.597   8.141
  809   HG13  VAL 111          HG13      VAL 111  31.935   3.686   8.653
  810   HG21  VAL 111          HG21      VAL 111  34.891   6.513   9.937
  811   HG22  VAL 111          HG22      VAL 111  35.288   5.066   9.019
  812   HG23  VAL 111          HG23      VAL 111  34.531   6.440   8.197
  813    H    PHE 112           H        PHE 112  30.886   5.736  11.774
  814    HA   PHE 112           HA       PHE 112  28.541   4.513  10.762
  815    HB2  PHE 112           HB2      PHE 112  29.024   6.102  13.293
  816    HB3  PHE 112           HB3      PHE 112  27.420   5.621  12.805
  817    HD1  PHE 112           HD2      PHE 112  30.742   4.247  13.790
  818    HD2  PHE 112           HD1      PHE 112  26.558   3.443  13.100
  819    HE1  PHE 112           HE2      PHE 112  30.960   2.067  14.950
  820    HE2  PHE 112           HE1      PHE 112  26.797   1.265  14.272
  821    HZ   PHE 112           HZ       PHE 112  28.994   0.584  15.207
  822    H    ARG 113           H        ARG 113  29.070   8.050  11.424
  823    HA   ARG 113           HA       ARG 113  26.558   8.963  10.461
  824    HB2  ARG 113           HB2      ARG 113  29.290  10.347  10.285
  825    HB3  ARG 113           HB3      ARG 113  27.765  11.118   9.929
  826    HG2  ARG 113           HG2      ARG 113  27.026  10.726  12.285
  827    HG3  ARG 113           HG3      ARG 113  28.614  10.053  12.658
  828    HD2  ARG 113           HD2      ARG 113  29.724  12.122  12.119
  829    HD3  ARG 113           HD3      ARG 113  28.219  12.848  11.527
  830    HE   ARG 113           HE       ARG 113  27.327  12.472  13.882
  831   HH11  ARG 113          HH11      ARG 113  30.691  13.492  13.199
  832   HH12  ARG 113          HH12      ARG 113  30.908  14.211  14.752
  833   HH21  ARG 113          HH21      ARG 113  27.632  13.362  15.883
  834   HH22  ARG 113          HH22      ARG 113  29.118  14.171  16.329
  835    H    THR 114           H        THR 114  29.621   8.364   8.704
  836    HA   THR 114           HA       THR 114  28.661   9.471   6.275
  837    HB   THR 114           HB       THR 114  30.901   7.460   6.798
  838    HG1  THR 114           HG1      THR 114  31.266   9.383   7.898
  839   HG21  THR 114          HG21      THR 114  31.875   8.330   4.682
  840   HG22  THR 114          HG22      THR 114  30.348   7.477   4.427
  841   HG23  THR 114          HG23      THR 114  30.384   9.256   4.391
  842    H    VAL 115           H        VAL 115  28.678   6.115   7.576
  843    HA   VAL 115           HA       VAL 115  27.929   4.948   5.055
  844    HB   VAL 115           HB       VAL 115  27.414   3.745   7.813
  845   HG11  VAL 115          HG11      VAL 115  27.606   1.579   6.580
  846   HG12  VAL 115          HG12      VAL 115  26.242   2.560   6.030
  847   HG13  VAL 115          HG13      VAL 115  27.721   2.491   5.052
  848   HG21  VAL 115          HG21      VAL 115  30.015   4.164   6.485
  849   HG22  VAL 115          HG22      VAL 115  29.619   3.668   8.140
  850   HG23  VAL 115          HG23      VAL 115  29.694   2.461   6.887
  851    H    ARG 116           H        ARG 116  26.160   5.875   7.988
  852    HA   ARG 116           HA       ARG 116  23.497   5.497   7.236
  853    HB2  ARG 116           HB2      ARG 116  24.216   6.143   9.435
  854    HB3  ARG 116           HB3      ARG 116  25.064   7.547   8.820
  855    HG2  ARG 116           HG2      ARG 116  22.741   8.522   8.217
  856    HG3  ARG 116           HG3      ARG 116  22.122   7.220   9.263
  857    HD2  ARG 116           HD2      ARG 116  22.432   8.822  10.837
  858    HD3  ARG 116           HD3      ARG 116  24.075   8.073  10.849
  859    HE   ARG 116           HE       ARG 116  24.033  10.169   8.920
  860   HH11  ARG 116          HH11      ARG 116  23.779   9.947  12.474
  861   HH12  ARG 116          HH12      ARG 116  24.764  11.352  12.746
  862   HH21  ARG 116          HH21      ARG 116  25.072  12.206   9.326
  863   HH22  ARG 116          HH22      ARG 116  25.310  12.726  10.955
  864    H    GLY 117           H        GLY 117  25.482   8.518   6.561
  865    HA2  GLY 117           HA2      GLY 117  23.354   9.734   5.154
  866    HA3  GLY 117           HA3      GLY 117  25.079  10.158   4.987
  867    H    GLN 118           H        GLN 118  26.058   7.690   3.908
  868    HA   GLN 118           HA       GLN 118  25.312   7.976   1.185
  869    HB2  GLN 118           HB2      GLN 118  26.853   5.801   2.673
  870    HB3  GLN 118           HB3      GLN 118  26.628   5.829   0.919
  871    HG2  GLN 118           HG2      GLN 118  27.454   8.422   1.383
  872    HG3  GLN 118           HG3      GLN 118  28.331   7.566   2.644
  873   HE21  GLN 118          HE22      GLN 118  29.950   5.860   1.975
  874   HE22  GLN 118          HE21      GLN 118  30.519   5.848   0.321
  875    H    VAL 119           H        VAL 119  24.284   5.678   3.668
  876    HA   VAL 119           HA       VAL 119  22.649   4.058   1.951
  877    HB   VAL 119           HB       VAL 119  22.588   4.681   4.938
  878   HG11  VAL 119          HG11      VAL 119  20.796   2.730   3.474
  879   HG12  VAL 119          HG12      VAL 119  21.048   2.826   5.243
  880   HG13  VAL 119          HG13      VAL 119  20.289   4.174   4.385
  881   HG21  VAL 119          HG21      VAL 119  23.188   2.071   3.438
  882   HG22  VAL 119          HG22      VAL 119  24.454   3.192   3.949
  883   HG23  VAL 119          HG23      VAL 119  23.445   2.399   5.165
  884    H    LYS 120           H        LYS 120  22.021   7.153   3.772
  885    HA   LYS 120           HA       LYS 120  19.267   7.126   3.306
  886    HB2  LYS 120           HB2      LYS 120  19.184   9.104   4.306
  887    HB3  LYS 120           HB3      LYS 120  20.794   8.652   4.800
  888    HG2  LYS 120           HG2      LYS 120  21.746  10.451   3.906
  889    HG3  LYS 120           HG3      LYS 120  20.982  10.286   2.365
  890    HD2  LYS 120           HD2      LYS 120  19.595  11.372   4.850
  891    HD3  LYS 120           HD3      LYS 120  20.373  12.401   3.653
  892    HE2  LYS 120           HE2      LYS 120  18.252  10.437   2.698
  893    HE3  LYS 120           HE3      LYS 120  17.730  11.862   3.603
  894    HZ1  LYS 120           HZ1      LYS 120  18.762  13.270   1.965
  895    HZ2  LYS 120           HZ2      LYS 120  19.384  12.000   1.130
  896    HZ3  LYS 120           HZ3      LYS 120  17.759  12.221   1.193
  897    H    GLU 121           H        GLU 121  21.843   8.366   1.188
  898    HA   GLU 121           HA       GLU 121  19.999   9.397  -0.757
  899    HB2  GLU 121           HB2      GLU 121  22.895   8.433  -1.056
  900    HB3  GLU 121           HB3      GLU 121  21.993   9.260  -2.323
  901    HG2  GLU 121           HG2      GLU 121  22.758  10.425   0.378
  902    HG3  GLU 121           HG3      GLU 121  23.485  10.789  -1.186
  903    H    ARG 122           H        ARG 122  21.579   6.151  -0.398
  904    HA   ARG 122           HA       ARG 122  20.489   5.168  -2.891
  905    HB2  ARG 122           HB2      ARG 122  21.556   3.804  -0.381
  906    HB3  ARG 122           HB3      ARG 122  20.743   2.928  -1.668
  907    HG2  ARG 122           HG2      ARG 122  23.005   2.696  -2.152
  908    HG3  ARG 122           HG3      ARG 122  22.348   3.841  -3.332
  909    HD2  ARG 122           HD2      ARG 122  23.328   5.715  -2.028
  910    HD3  ARG 122           HD3      ARG 122  23.981   4.516  -0.869
  911    HE   ARG 122           HE       ARG 122  24.851   3.812  -3.462
  912   HH11  ARG 122          HH21      ARG 122  25.333   6.535  -1.237
  913   HH12  ARG 122          HH22      ARG 122  27.020   6.746  -1.629
  914   HH21  ARG 122          HH11      ARG 122  27.048   4.187  -4.092
  915   HH22  ARG 122          HH12      ARG 122  27.965   5.446  -3.351
  916    H    VAL 123           H        VAL 123  19.263   5.017   0.511
  917    HA   VAL 123           HA       VAL 123  16.848   3.745   0.012
  918    HB   VAL 123           HB       VAL 123  17.613   5.914   1.941
  919   HG11  VAL 123          HG11      VAL 123  15.245   6.033   1.858
  920   HG12  VAL 123          HG12      VAL 123  15.111   4.251   1.882
  921   HG13  VAL 123          HG13      VAL 123  15.692   5.141   3.309
  922   HG21  VAL 123          HG21      VAL 123  17.170   2.943   2.484
  923   HG22  VAL 123          HG22      VAL 123  18.779   3.660   2.208
  924   HG23  VAL 123          HG23      VAL 123  17.819   4.163   3.593
  925    H    GLU 124           H        GLU 124  17.486   7.287  -0.122
  926    HA   GLU 124           HA       GLU 124  14.858   7.879  -0.913
  927    HB2  GLU 124           HB2      GLU 124  16.371   9.333   0.174
  928    HB3  GLU 124           HB3      GLU 124  17.437   9.409  -1.268
  929    HG2  GLU 124           HG2      GLU 124  15.596  10.377  -2.559
  930    HG3  GLU 124           HG3      GLU 124  14.515  10.237  -1.147
  931    H    ASN 125           H        ASN 125  17.707   7.043  -2.860
  932    HA   ASN 125           HA       ASN 125  16.584   7.614  -5.411
  933    HB2  ASN 125           HB2      ASN 125  18.788   5.818  -4.432
  934    HB3  ASN 125           HB3      ASN 125  18.160   5.559  -6.048
  935   HD21  ASN 125          HD22      ASN 125  19.695   8.049  -3.972
  936   HD22  ASN 125          HD21      ASN 125  20.322   9.002  -5.310
  937    H    LEU 126           H        LEU 126  16.571   4.599  -3.450
  938    HA   LEU 126           HA       LEU 126  15.031   3.039  -5.297
  939    HB2  LEU 126           HB2      LEU 126  15.835   1.635  -3.878
  940    HB3  LEU 126           HB3      LEU 126  15.977   2.832  -2.560
  941    HG   LEU 126           HG       LEU 126  13.259   1.719  -3.026
  942   HD11  LEU 126          HD11      LEU 126  13.989  -0.351  -1.661
  943   HD12  LEU 126          HD12      LEU 126  14.507  -0.297  -3.365
  944   HD13  LEU 126          HD13      LEU 126  15.637   0.133  -2.061
  945   HD21  LEU 126          HD21      LEU 126  13.846   3.232  -1.083
  946   HD22  LEU 126          HD22      LEU 126  13.133   1.674  -0.627
  947   HD23  LEU 126          HD23      LEU 126  14.876   1.933  -0.456
  948    H    ILE 127           H        ILE 127  14.081   5.135  -2.649
  949    HA   ILE 127           HA       ILE 127  11.239   4.778  -2.805
  950    HB   ILE 127           HB       ILE 127  13.197   6.769  -1.731
  951   HG12  ILE 127          HG12      ILE 127  10.819   5.643  -0.247
  952   HG13  ILE 127          HG13      ILE 127  11.987   4.449  -0.816
  953   HG21  ILE 127          HG21      ILE 127  10.275   7.464  -1.909
  954   HG22  ILE 127          HG22      ILE 127  11.411   8.168  -0.739
  955   HG23  ILE 127          HG23      ILE 127  11.678   8.397  -2.471
  956   HD11  ILE 127          HD11      ILE 127  13.203   6.847   0.527
  957   HD12  ILE 127          HD12      ILE 127  12.267   5.680   1.537
  958   HD13  ILE 127          HD13      ILE 127  13.609   5.126   0.521
  959    H    ALA 128           H        ALA 128  13.432   7.122  -4.518
  960    HA   ALA 128           HA       ALA 128  11.346   8.458  -5.843
  961    HB1  ALA 128           HB1      ALA 128  13.720   9.258  -5.718
  962    HB2  ALA 128           HB2      ALA 128  14.175   7.994  -6.890
  963    HB3  ALA 128           HB3      ALA 128  13.070   9.295  -7.367
  964    H    LYS 129           H        LYS 129  12.785   5.317  -6.601
  965    HA   LYS 129           HA       LYS 129  11.573   5.157  -9.207
  966    HB2  LYS 129           HB2      LYS 129  12.550   2.890  -7.430
  967    HB3  LYS 129           HB3      LYS 129  12.195   2.798  -9.152
  968    HG2  LYS 129           HG2      LYS 129  14.074   4.264  -9.696
  969    HG3  LYS 129           HG3      LYS 129  14.342   4.618  -7.992
  970    HD2  LYS 129           HD2      LYS 129  16.007   3.060  -8.569
  971    HD3  LYS 129           HD3      LYS 129  14.826   2.274  -7.522
  972    HE2  LYS 129           HE2      LYS 129  15.437   0.708  -9.232
  973    HE3  LYS 129           HE3      LYS 129  13.772   1.206  -9.536
  974    HZ1  LYS 129           HZ1      LYS 129  16.166   2.251 -10.978
  975    HZ2  LYS 129           HZ2      LYS 129  15.112   1.162 -11.574
  976    HZ3  LYS 129           HZ3      LYS 129  14.615   2.685 -11.305
  977    H    ILE 130           H        ILE 130  10.716   3.930  -5.930
  978    HA   ILE 130           HA       ILE 130   8.399   2.616  -7.066
  979    HB   ILE 130           HB       ILE 130   8.172   1.696  -4.776
  980   HG12  ILE 130          HG12      ILE 130  10.623   3.191  -4.130
  981   HG13  ILE 130          HG13      ILE 130   9.137   3.032  -3.247
  982   HG21  ILE 130          HG21      ILE 130  10.823   1.056  -6.115
  983   HG22  ILE 130          HG22      ILE 130   9.715  -0.050  -5.249
  984   HG23  ILE 130          HG23      ILE 130   9.231   0.602  -6.788
  985   HD11  ILE 130          HD11      ILE 130   9.714   0.582  -2.847
  986   HD12  ILE 130          HD12      ILE 130  11.278   0.885  -3.606
  987   HD13  ILE 130          HD13      ILE 130  10.845   1.745  -2.112
  988    H    SER 131           H        SER 131   8.843   5.283  -4.718
  989    HA   SER 131           HA       SER 131   6.174   5.133  -3.782
  990    HB2  SER 131           HB2      SER 131   8.189   7.404  -3.685
  991    HB3  SER 131           HB3      SER 131   6.691   7.293  -2.734
  992    HG   SER 131           HG       SER 131   8.386   6.444  -1.477
  Start of MODEL   13
    1    H    MET   1           H        MET   1   1.350  -1.560   2.225
    2    HA   MET   1           HA       MET   1   1.060  -0.493  -0.521
    3    HB2  MET   1           HB2      MET   1   3.135   0.261   1.597
    4    HB3  MET   1           HB3      MET   1   2.979   0.940  -0.018
    5    HG2  MET   1           HG2      MET   1   1.158   1.363   2.341
    6    HG3  MET   1           HG3      MET   1   2.175   2.535   1.518
    7    HE1  MET   1           HE1      MET   1   1.692   2.427  -1.504
    8    HE2  MET   1           HE2      MET   1   0.205   3.367  -1.752
    9    HE3  MET   1           HE3      MET   1   1.433   3.941  -0.605
   10    H    LYS   2           H        LYS   2   3.397  -0.620  -1.703
   11    HA   LYS   2           HA       LYS   2   4.256  -3.344  -1.741
   12    HB2  LYS   2           HB2      LYS   2   6.302  -2.544  -2.967
   13    HB3  LYS   2           HB3      LYS   2   4.763  -2.160  -3.748
   14    HG2  LYS   2           HG2      LYS   2   6.492  -0.343  -2.158
   15    HG3  LYS   2           HG3      LYS   2   6.609  -0.560  -3.890
   16    HD2  LYS   2           HD2      LYS   2   4.163   0.101  -4.138
   17    HD3  LYS   2           HD3      LYS   2   4.201   0.677  -2.460
   18    HE2  LYS   2           HE2      LYS   2   5.813   2.372  -2.957
   19    HE3  LYS   2           HE3      LYS   2   6.154   1.629  -4.548
   20    HZ1  LYS   2           HZ1      LYS   2   4.711   3.600  -4.772
   21    HZ2  LYS   2           HZ2      LYS   2   3.877   2.278  -5.217
   22    HZ3  LYS   2           HZ3      LYS   2   3.600   2.969  -3.744
   23    H    LYS   3           H        LYS   3   5.808  -4.434  -0.755
   24    HA   LYS   3           HA       LYS   3   6.630  -3.297   1.873
   25    HB2  LYS   3           HB2      LYS   3   6.258  -6.100   0.770
   26    HB3  LYS   3           HB3      LYS   3   6.802  -5.735   2.426
   27    HG2  LYS   3           HG2      LYS   3   4.591  -4.480   2.701
   28    HG3  LYS   3           HG3      LYS   3   4.149  -5.101   1.103
   29    HD2  LYS   3           HD2      LYS   3   3.109  -6.436   2.803
   30    HD3  LYS   3           HD3      LYS   3   4.293  -7.407   1.912
   31    HE2  LYS   3           HE2      LYS   3   5.900  -7.249   3.749
   32    HE3  LYS   3           HE3      LYS   3   4.891  -6.052   4.587
   33    HZ1  LYS   3           HZ1      LYS   3   4.605  -8.205   5.583
   34    HZ2  LYS   3           HZ2      LYS   3   3.199  -7.837   4.836
   35    HZ3  LYS   3           HZ3      LYS   3   4.242  -8.933   4.176
   36    H    VAL   4           H        VAL   4   8.717  -3.217   2.499
   37    HA   VAL   4           HA       VAL   4  10.749  -4.097   0.541
   38    HB   VAL   4           HB       VAL   4  10.928  -1.596   2.203
   39   HG11  VAL   4          HG11      VAL   4  13.114  -2.304   1.562
   40   HG12  VAL   4          HG12      VAL   4  12.594  -2.712  -0.070
   41   HG13  VAL   4          HG13      VAL   4  12.679  -1.005   0.451
   42   HG21  VAL   4          HG21      VAL   4  10.525  -0.372  -0.021
   43   HG22  VAL   4          HG22      VAL   4   9.962  -1.915  -0.681
   44   HG23  VAL   4          HG23      VAL   4   9.102  -1.164   0.671
   45    H    MET   5           H        MET   5  12.838  -4.582   1.421
   46    HA   MET   5           HA       MET   5  12.941  -5.187   4.310
   47    HB2  MET   5           HB2      MET   5  12.197  -7.213   2.994
   48    HB3  MET   5           HB3      MET   5  13.707  -7.040   2.052
   49    HG2  MET   5           HG2      MET   5  13.924  -8.770   3.762
   50    HG3  MET   5           HG3      MET   5  15.071  -7.459   3.981
   51    HE1  MET   5           HE1      MET   5  12.303  -9.601   5.391
   52    HE2  MET   5           HE2      MET   5  11.578  -8.654   6.718
   53    HE3  MET   5           HE3      MET   5  11.287  -8.187   5.027
   54    H    PHE   6           H        PHE   6  15.023  -4.985   5.049
   55    HA   PHE   6           HA       PHE   6  17.184  -4.451   3.113
   56    HB2  PHE   6           HB2      PHE   6  16.679  -3.117   5.783
   57    HB3  PHE   6           HB3      PHE   6  18.129  -2.907   4.800
   58    HD1  PHE   6           HD2      PHE   6  18.013  -1.782   2.557
   59    HD2  PHE   6           HD1      PHE   6  14.577  -2.031   5.135
   60    HE1  PHE   6           HE2      PHE   6  16.774  -0.215   1.099
   61    HE2  PHE   6           HE1      PHE   6  13.304  -0.586   3.613
   62    HZ   PHE   6           HZ       PHE   6  14.433   0.421   1.619
   63    H    VAL   7           H        VAL   7  19.221  -5.626   3.814
   64    HA   VAL   7           HA       VAL   7  18.721  -7.670   5.972
   65    HB   VAL   7           HB       VAL   7  20.216  -8.228   3.422
   66   HG11  VAL   7          HG11      VAL   7  18.825 -10.139   5.294
   67   HG12  VAL   7          HG12      VAL   7  19.761 -10.537   3.837
   68   HG13  VAL   7          HG13      VAL   7  20.568  -9.816   5.228
   69   HG21  VAL   7          HG21      VAL   7  18.190  -9.334   2.475
   70   HG22  VAL   7          HG22      VAL   7  17.212  -8.654   3.789
   71   HG23  VAL   7          HG23      VAL   7  17.958  -7.591   2.599
   72    H    CYS   8           H        CYS   8  20.414  -7.969   7.409
   73    HA   CYS   8           HA       CYS   8  22.970  -6.508   6.804
   74    HB2  CYS   8           HB2      CYS   8  21.036  -5.533   8.423
   75    HB3  CYS   8           HB3      CYS   8  21.860  -6.552   9.600
   76    HG   CYS   8           HG       CYS   8  23.246  -4.336   7.539
   77    H    LYS   9           H        LYS   9  24.346  -8.248   6.414
   78    HA   LYS   9           HA       LYS   9  24.434 -10.533   8.224
   79    HB2  LYS   9           HB2      LYS   9  24.913 -10.668   5.803
   80    HB3  LYS   9           HB3      LYS   9  26.357  -9.656   6.016
   81    HG2  LYS   9           HG2      LYS   9  27.404 -11.379   7.403
   82    HG3  LYS   9           HG3      LYS   9  25.912 -12.342   7.388
   83    HD2  LYS   9           HD2      LYS   9  26.142 -12.693   4.951
   84    HD3  LYS   9           HD3      LYS   9  27.540 -11.612   4.910
   85    HE2  LYS   9           HE2      LYS   9  28.379 -13.849   4.835
   86    HE3  LYS   9           HE3      LYS   9  28.799 -13.161   6.405
   87    HZ1  LYS   9           HZ1      LYS   9  27.974 -15.434   6.586
   88    HZ2  LYS   9           HZ2      LYS   9  26.976 -14.435   7.391
   89    HZ3  LYS   9           HZ3      LYS   9  26.537 -15.037   5.921
   90    H    ARG  10           H        ARG  10  26.151  -7.424   8.037
   91    HA   ARG  10           HA       ARG  10  27.614  -8.104  10.548
   92    HB2  ARG  10           HB2      ARG  10  29.368  -8.170   8.918
   93    HB3  ARG  10           HB3      ARG  10  28.728  -6.780   8.035
   94    HG2  ARG  10           HG2      ARG  10  29.339  -5.245   9.774
   95    HG3  ARG  10           HG3      ARG  10  29.786  -6.549  10.888
   96    HD2  ARG  10           HD2      ARG  10  31.153  -6.253   8.219
   97    HD3  ARG  10           HD3      ARG  10  31.609  -5.192   9.561
   98    HE   ARG  10           HE       ARG  10  31.978  -7.312  10.901
   99   HH11  ARG  10          HH11      ARG  10  32.942  -6.888   7.509
  100   HH12  ARG  10          HH12      ARG  10  33.979  -8.279   7.491
  101   HH21  ARG  10          HH21      ARG  10  33.363  -9.107  10.901
  102   HH22  ARG  10          HH22      ARG  10  34.293  -9.518   9.499
  103    H    ASN  11           H        ASN  11  27.520  -6.540  12.007
  104    HA   ASN  11           HA       ASN  11  26.405  -5.021  13.210
  105    HB2  ASN  11           HB2      ASN  11  28.658  -4.134  12.631
  106    HB3  ASN  11           HB3      ASN  11  27.897  -3.120  11.395
  107   HD21  ASN  11          HD22      ASN  11  29.266  -2.620  14.193
  108   HD22  ASN  11          HD21      ASN  11  28.101  -1.605  15.042
  109    H    SER  12           H        SER  12  24.300  -4.976  13.115
  110    HA   SER  12           HA       SER  12  22.393  -4.514  11.404
  111    HB2  SER  12           HB2      SER  12  22.488  -3.264  14.170
  112    HB3  SER  12           HB3      SER  12  21.048  -3.833  13.302
  113    HG   SER  12           HG       SER  12  22.032  -5.374  14.878
  114    H    CYS  13           H        CYS  13  24.413  -1.843  12.567
  115    HA   CYS  13           HA       CYS  13  23.024   0.440  12.102
  116    HB2  CYS  13           HB2      CYS  13  25.401   0.277  12.861
  117    HB3  CYS  13           HB3      CYS  13  25.899  -0.161  11.229
  118    HG   CYS  13           HG       CYS  13  26.601   2.275  11.531
  119    H    ARG  14           H        ARG  14  24.881  -1.117   9.334
  120    HA   ARG  14           HA       ARG  14  23.954   0.992   7.671
  121    HB2  ARG  14           HB2      ARG  14  24.891  -0.118   5.753
  122    HB3  ARG  14           HB3      ARG  14  25.986  -0.071   7.117
  123    HG2  ARG  14           HG2      ARG  14  25.595  -2.482   7.559
  124    HG3  ARG  14           HG3      ARG  14  24.433  -2.542   6.226
  125    HD2  ARG  14           HD2      ARG  14  26.268  -1.804   4.651
  126    HD3  ARG  14           HD3      ARG  14  27.412  -1.864   5.998
  127    HE   ARG  14           HE       ARG  14  25.958  -4.366   5.682
  128   HH11  ARG  14          HH11      ARG  14  28.611  -2.513   4.198
  129   HH12  ARG  14          HH12      ARG  14  29.608  -3.869   3.907
  130   HH21  ARG  14          HH22      ARG  14  27.062  -6.204   4.787
  131   HH22  ARG  14          HH21      ARG  14  28.712  -6.051   4.268
  132    H    SER  15           H        SER  15  22.455  -2.273   7.901
  133    HA   SER  15           HA       SER  15  20.541  -1.356   5.888
  134    HB2  SER  15           HB2      SER  15  20.228  -3.984   7.219
  135    HB3  SER  15           HB3      SER  15  20.108  -3.508   5.508
  136    HG   SER  15           HG       SER  15  21.974  -4.660   5.695
  137    H    GLN  16           H        GLN  16  20.507  -1.820   9.455
  138    HA   GLN  16           HA       GLN  16  17.612  -1.387   9.579
  139    HB2  GLN  16           HB2      GLN  16  18.752  -2.652  11.255
  140    HB3  GLN  16           HB3      GLN  16  19.777  -1.251  11.688
  141    HG2  GLN  16           HG2      GLN  16  17.751  -0.015  12.390
  142    HG3  GLN  16           HG3      GLN  16  16.772  -1.433  11.999
  143   HE21  GLN  16          HE22      GLN  16  16.506  -2.987  13.535
  144   HE22  GLN  16          HE21      GLN  16  17.391  -3.043  15.049
  145    H    MET  17           H        MET  17  20.528   0.699   9.382
  146    HA   MET  17           HA       MET  17  19.069   3.140   9.822
  147    HB2  MET  17           HB2      MET  17  21.541   3.129   9.777
  148    HB3  MET  17           HB3      MET  17  21.486   2.553   8.082
  149    HG2  MET  17           HG2      MET  17  21.992   4.890   8.115
  150    HG3  MET  17           HG3      MET  17  20.456   4.638   7.342
  151    HE1  MET  17           HE1      MET  17  18.119   6.650  10.097
  152    HE2  MET  17           HE2      MET  17  18.049   6.056   8.432
  153    HE3  MET  17           HE3      MET  17  18.113   4.895   9.797
  154    H    ALA  18           H        ALA  18  19.826   1.163   6.907
  155    HA   ALA  18           HA       ALA  18  18.554   2.855   5.084
  156    HB1  ALA  18           HB1      ALA  18  18.586  -0.194   4.911
  157    HB2  ALA  18           HB2      ALA  18  18.642   0.967   3.578
  158    HB3  ALA  18           HB3      ALA  18  20.041   0.803   4.683
  159    H    GLU  19           H        GLU  19  17.169   0.218   7.076
  160    HA   GLU  19           HA       GLU  19  14.448   0.543   6.411
  161    HB2  GLU  19           HB2      GLU  19  15.551  -1.295   7.709
  162    HB3  GLU  19           HB3      GLU  19  15.686  -0.205   9.080
  163    HG2  GLU  19           HG2      GLU  19  13.132   0.021   8.953
  164    HG3  GLU  19           HG3      GLU  19  13.198  -1.348   7.817
  165    H    GLY  20           H        GLY  20  16.448   2.498   8.800
  166    HA2  GLY  20           HA2      GLY  20  14.161   3.878   9.862
  167    HA3  GLY  20           HA3      GLY  20  15.863   4.317  10.029
  168    H    PHE  21           H        PHE  21  16.578   4.674   7.277
  169    HA   PHE  21           HA       PHE  21  15.381   7.280   6.696
  170    HB2  PHE  21           HB2      PHE  21  17.334   5.464   5.230
  171    HB3  PHE  21           HB3      PHE  21  16.683   6.914   4.485
  172    HD1  PHE  21           HD2      PHE  21  16.769   9.041   6.413
  173    HD2  PHE  21           HD1      PHE  21  19.615   5.849   5.765
  174    HE1  PHE  21           HE2      PHE  21  18.584  10.457   7.292
  175    HE2  PHE  21           HE1      PHE  21  21.387   7.252   6.612
  176    HZ   PHE  21           HZ       PHE  21  20.903   9.587   7.406
  177    H    ALA  22           H        ALA  22  14.918   3.898   5.426
  178    HA   ALA  22           HA       ALA  22  13.238   4.815   3.305
  179    HB1  ALA  22           HB1      ALA  22  12.711   2.431   2.980
  180    HB2  ALA  22           HB2      ALA  22  14.455   2.697   3.172
  181    HB3  ALA  22           HB3      ALA  22  13.514   2.037   4.516
  182    H    LYS  23           H        LYS  23  12.379   3.546   6.618
  183    HA   LYS  23           HA       LYS  23   9.581   3.732   6.156
  184    HB2  LYS  23           HB2      LYS  23   9.268   3.491   8.480
  185    HB3  LYS  23           HB3      LYS  23  10.749   2.596   8.119
  186    HG2  LYS  23           HG2      LYS  23  12.057   4.590   8.873
  187    HG3  LYS  23           HG3      LYS  23  10.555   5.394   9.336
  188    HD2  LYS  23           HD2      LYS  23  10.148   3.533  10.983
  189    HD3  LYS  23           HD3      LYS  23  11.759   2.891  10.570
  190    HE2  LYS  23           HE2      LYS  23  12.716   5.196  11.132
  191    HE3  LYS  23           HE3      LYS  23  11.112   5.678  11.684
  192    HZ1  LYS  23           HZ1      LYS  23  11.238   4.000  13.426
  193    HZ2  LYS  23           HZ2      LYS  23  12.694   3.445  12.856
  194    HZ3  LYS  23           HZ3      LYS  23  12.599   4.923  13.507
  195    H    THR  24           H        THR  24  11.937   6.187   6.960
  196    HA   THR  24           HA       THR  24  10.176   8.365   7.553
  197    HB   THR  24           HB       THR  24  13.085   7.796   7.010
  198    HG1  THR  24           HG1      THR  24  12.860   7.492   9.023
  199   HG21  THR  24          HG21      THR  24  12.154  10.627   7.386
  200   HG22  THR  24          HG22      THR  24  13.832  10.006   7.483
  201   HG23  THR  24          HG23      THR  24  12.955   9.917   5.948
  202    H    LEU  25           H        LEU  25  12.143   7.519   4.681
  203    HA   LEU  25           HA       LEU  25  11.224   9.828   3.228
  204    HB2  LEU  25           HB2      LEU  25  13.091   7.540   2.650
  205    HB3  LEU  25           HB3      LEU  25  12.713   8.763   1.421
  206    HG   LEU  25           HG       LEU  25  13.993   9.290   4.116
  207   HD11  LEU  25          HD11      LEU  25  15.167   9.270   1.298
  208   HD12  LEU  25          HD12      LEU  25  16.055   9.702   2.780
  209   HD13  LEU  25          HD13      LEU  25  15.499   8.043   2.544
  210   HD21  LEU  25          HD21      LEU  25  12.760  11.260   3.388
  211   HD22  LEU  25          HD22      LEU  25  14.484  11.548   3.141
  212   HD23  LEU  25          HD23      LEU  25  13.451  11.140   1.752
  213    H    GLY  26           H        GLY  26  10.485   6.405   3.292
  214    HA2  GLY  26           HA2      GLY  26   8.831   6.430   0.841
  215    HA3  GLY  26           HA3      GLY  26   9.354   5.050   1.840
  216    H    ALA  27           H        ALA  27   8.275   7.678   3.729
  217    HA   ALA  27           HA       ALA  27   6.365   6.128   5.075
  218    HB1  ALA  27           HB1      ALA  27   7.544   8.096   6.079
  219    HB2  ALA  27           HB2      ALA  27   6.645   9.176   5.001
  220    HB3  ALA  27           HB3      ALA  27   5.784   8.239   6.241
  221    H    GLY  28           H        GLY  28   4.375   5.517   4.543
  222    HA2  GLY  28           HA2      GLY  28   2.190   5.673   3.824
  223    HA3  GLY  28           HA3      GLY  28   2.474   7.366   3.348
  224    H    LYS  29           H        LYS  29   4.834   5.348   1.949
  225    HA   LYS  29           HA       LYS  29   3.342   5.181  -0.597
  226    HB2  LYS  29           HB2      LYS  29   6.243   5.810  -0.014
  227    HB3  LYS  29           HB3      LYS  29   5.580   5.571  -1.632
  228    HG2  LYS  29           HG2      LYS  29   4.600   7.702   0.298
  229    HG3  LYS  29           HG3      LYS  29   5.887   7.986  -0.875
  230    HD2  LYS  29           HD2      LYS  29   4.314   7.542  -2.744
  231    HD3  LYS  29           HD3      LYS  29   3.047   7.117  -1.596
  232    HE2  LYS  29           HE2      LYS  29   2.576   9.320  -2.335
  233    HE3  LYS  29           HE3      LYS  29   3.098   9.421  -0.656
  234    HZ1  LYS  29           HZ1      LYS  29   4.091  11.148  -2.037
  235    HZ2  LYS  29           HZ2      LYS  29   5.273  10.198  -1.443
  236    HZ3  LYS  29           HZ3      LYS  29   4.801  10.054  -3.014
  237    H    ILE  30           H        ILE  30   5.644   3.757   1.677
  238    HA   ILE  30           HA       ILE  30   5.215   1.075   0.502
  239    HB   ILE  30           HB       ILE  30   7.622   0.607   0.800
  240   HG12  ILE  30          HG12      ILE  30   8.142   3.589   0.878
  241   HG13  ILE  30          HG13      ILE  30   8.030   2.654   2.376
  242   HG21  ILE  30          HG21      ILE  30   8.171   1.273  -1.325
  243   HG22  ILE  30          HG22      ILE  30   6.418   1.481  -1.326
  244   HG23  ILE  30          HG23      ILE  30   7.454   2.908  -1.168
  245   HD11  ILE  30          HD11      ILE  30   9.806   1.150   1.575
  246   HD12  ILE  30          HD12      ILE  30  10.054   2.215   0.155
  247   HD13  ILE  30          HD13      ILE  30  10.340   2.818   1.815
  248    H    ALA  31           H        ALA  31   6.027  -0.569   1.938
  249    HA   ALA  31           HA       ALA  31   5.918   0.180   4.860
  250    HB1  ALA  31           HB1      ALA  31   5.214  -2.462   3.506
  251    HB2  ALA  31           HB2      ALA  31   5.250  -2.176   5.260
  252    HB3  ALA  31           HB3      ALA  31   4.065  -1.322   4.254
  253    H    VAL  32           H        VAL  32   7.828  -0.380   5.985
  254    HA   VAL  32           HA       VAL  32  10.025  -1.603   4.452
  255    HB   VAL  32           HB       VAL  32   9.746   0.860   6.184
  256   HG11  VAL  32          HG11      VAL  32  12.363  -0.462   5.568
  257   HG12  VAL  32          HG12      VAL  32  12.145   1.264   5.988
  258   HG13  VAL  32          HG13      VAL  32  11.649   0.034   7.124
  259   HG21  VAL  32          HG21      VAL  32  10.596   2.046   4.280
  260   HG22  VAL  32          HG22      VAL  32  10.946   0.516   3.436
  261   HG23  VAL  32          HG23      VAL  32   9.269   1.043   3.771
  262    H    THR  33           H        THR  33  11.538  -2.914   5.511
  263    HA   THR  33           HA       THR  33  11.190  -3.667   8.346
  264    HB   THR  33           HB       THR  33  11.373  -5.839   6.342
  265    HG1  THR  33           HG1      THR  33   9.703  -4.803   5.390
  266   HG21  THR  33          HG21      THR  33   9.802  -5.546   8.932
  267   HG22  THR  33          HG22      THR  33   9.899  -7.020   7.942
  268   HG23  THR  33          HG23      THR  33  11.354  -6.398   8.730
  269    H    SER  34           H        SER  34  13.148  -5.052   9.062
  270    HA   SER  34           HA       SER  34  15.401  -5.168   7.152
  271    HB2  SER  34           HB2      SER  34  15.769  -3.203   8.609
  272    HB3  SER  34           HB3      SER  34  15.872  -4.319   9.984
  273    HG   SER  34           HG       SER  34  17.954  -3.979   9.136
  274    H    CYS  35           H        CYS  35  17.061  -6.848   7.957
  275    HA   CYS  35           HA       CYS  35  16.117  -8.763   9.952
  276    HB2  CYS  35           HB2      CYS  35  15.916 -10.651   8.353
  277    HB3  CYS  35           HB3      CYS  35  14.703  -9.395   8.036
  278    HG   CYS  35           HG       CYS  35  16.112  -8.191   6.149
  279    H    GLY  36           H        GLY  36  17.613 -10.627  10.135
  280    HA2  GLY  36           HA2      GLY  36  19.754 -11.646   9.937
  281    HA3  GLY  36           HA3      GLY  36  20.346 -10.267   8.999
  282    H    LEU  37           H        LEU  37  20.358  -8.130  10.186
  283    HA   LEU  37           HA       LEU  37  21.451  -6.902  11.799
  284    HB2  LEU  37           HB2      LEU  37  19.235  -8.242  13.383
  285    HB3  LEU  37           HB3      LEU  37  20.351  -7.105  14.113
  286    HG   LEU  37           HG       LEU  37  19.674  -5.383  12.385
  287   HD11  LEU  37          HD11      LEU  37  18.486  -6.737  10.732
  288   HD12  LEU  37          HD12      LEU  37  17.338  -7.307  11.984
  289   HD13  LEU  37          HD13      LEU  37  17.371  -5.600  11.481
  290   HD21  LEU  37          HD21      LEU  37  17.846  -6.501  14.515
  291   HD22  LEU  37          HD22      LEU  37  18.945  -5.118  14.649
  292   HD23  LEU  37          HD23      LEU  37  17.455  -4.994  13.686
  293    H    GLU  38           H        GLU  38  22.960  -9.128  11.091
  294    HA   GLU  38           HA       GLU  38  24.704 -10.410  11.721
  295    HB2  GLU  38           HB2      GLU  38  25.113  -8.079  12.936
  296    HB3  GLU  38           HB3      GLU  38  24.866  -9.074  14.389
  297    HG2  GLU  38           HG2      GLU  38  26.750 -10.544  13.689
  298    HG3  GLU  38           HG3      GLU  38  26.919  -9.627  12.200
  299    H    SER  39           H        SER  39  21.895 -10.994  12.892
  300    HA   SER  39           HA       SER  39  20.829 -12.645  13.965
  301    HB2  SER  39           HB2      SER  39  23.534 -13.881  14.562
  302    HB3  SER  39           HB3      SER  39  21.955 -14.659  14.764
  303    HG   SER  39           HG       SER  39  22.984 -15.233  12.764
  304    H    SER  40           H        SER  40  21.635 -10.170  15.070
  305    HA   SER  40           HA       SER  40  21.393 -10.627  17.994
  306    HB2  SER  40           HB2      SER  40  23.294  -8.708  16.561
  307    HB3  SER  40           HB3      SER  40  23.062  -8.824  18.313
  308    HG   SER  40           HG       SER  40  24.905 -10.006  17.620
  309    H    ARG  41           H        ARG  41  21.304  -7.970  18.712
  310    HA   ARG  41           HA       ARG  41  18.647  -7.157  17.628
  311    HB2  ARG  41           HB2      ARG  41  20.150  -6.627  20.234
  312    HB3  ARG  41           HB3      ARG  41  18.577  -5.921  19.859
  313    HG2  ARG  41           HG2      ARG  41  17.438  -7.986  19.924
  314    HG3  ARG  41           HG3      ARG  41  18.910  -8.932  19.733
  315    HD2  ARG  41           HD2      ARG  41  18.187  -9.171  21.990
  316    HD3  ARG  41           HD3      ARG  41  19.697  -8.247  21.956
  317    HE   ARG  41           HE       ARG  41  17.358  -6.523  21.944
  318   HH11  ARG  41          HH11      ARG  41  19.306  -8.535  24.143
  319   HH12  ARG  41          HH12      ARG  41  18.909  -7.624  25.555
  320   HH21  ARG  41          HH21      ARG  41  16.845  -5.297  23.832
  321   HH22  ARG  41          HH22      ARG  41  17.479  -5.749  25.370
  322    H    VAL  42           H        VAL  42  18.663  -4.500  18.428
  323    HA   VAL  42           HA       VAL  42  20.074  -3.098  16.397
  324    HB   VAL  42           HB       VAL  42  19.145  -1.171  17.357
  325   HG11  VAL  42          HG11      VAL  42  17.013  -3.005  18.440
  326   HG12  VAL  42          HG12      VAL  42  16.895  -1.583  17.373
  327   HG13  VAL  42          HG13      VAL  42  17.450  -3.132  16.736
  328   HG21  VAL  42          HG21      VAL  42  18.243  -0.951  19.661
  329   HG22  VAL  42          HG22      VAL  42  18.853  -2.575  20.048
  330   HG23  VAL  42          HG23      VAL  42  19.980  -1.261  19.670
  331    H    HIS  43           H        HIS  43  21.439  -1.163  16.961
  332    HA   HIS  43           HA       HIS  43  23.691  -1.968  18.746
  333    HB2  HIS  43           HB2      HIS  43  24.023  -2.708  16.415
  334    HB3  HIS  43           HB3      HIS  43  23.752  -1.075  15.839
  335    HD1  HIS  43           HD1      HIS  43  26.295  -2.781  18.306
  336    HD2  HIS  43           HD2      HIS  43  25.924   0.271  15.439
  337    HE1  HIS  43           HE1      HIS  43  28.596  -1.722  18.078
  338    HA   PRO  44           HA       PRO  44  22.334   2.084  20.034
  339    HB2  PRO  44           HB2      PRO  44  24.157   2.710  21.967
  340    HB3  PRO  44           HB3      PRO  44  22.957   1.389  22.176
  341    HG2  PRO  44           HG2      PRO  44  25.804   1.167  21.109
  342    HG3  PRO  44           HG3      PRO  44  25.097   0.278  22.522
  343    HD2  PRO  44           HD2      PRO  44  25.106  -0.923  20.132
  344    HD3  PRO  44           HD3      PRO  44  23.566  -0.942  21.069
  345    H    THR  45           H        THR  45  25.807   1.660  19.039
  346    HA   THR  45           HA       THR  45  26.320   4.365  18.756
  347    HB   THR  45           HB       THR  45  27.392   2.136  16.971
  348    HG1  THR  45           HG1      THR  45  28.812   1.715  18.591
  349   HG21  THR  45          HG21      THR  45  28.090   4.324  16.147
  350   HG22  THR  45          HG22      THR  45  28.542   4.847  17.781
  351   HG23  THR  45          HG23      THR  45  29.465   3.565  16.951
  352    H    ALA  46           H        ALA  46  24.531   2.106  16.622
  353    HA   ALA  46           HA       ALA  46  24.417   3.906  14.370
  354    HB1  ALA  46           HB1      ALA  46  23.992   1.392  14.267
  355    HB2  ALA  46           HB2      ALA  46  22.414   1.694  15.028
  356    HB3  ALA  46           HB3      ALA  46  22.792   2.400  13.440
  357    H    ILE  47           H        ILE  47  22.311   3.221  17.187
  358    HA   ILE  47           HA       ILE  47  20.186   4.963  16.451
  359    HB   ILE  47           HB       ILE  47  21.186   3.932  19.065
  360   HG12  ILE  47          HG12      ILE  47  18.919   2.997  19.211
  361   HG13  ILE  47          HG13      ILE  47  18.535   3.628  17.594
  362   HG21  ILE  47          HG21      ILE  47  19.238   4.961  20.242
  363   HG22  ILE  47          HG22      ILE  47  20.400   6.158  19.711
  364   HG23  ILE  47          HG23      ILE  47  18.897   5.918  18.788
  365   HD11  ILE  47          HD11      ILE  47  18.951   1.261  17.612
  366   HD12  ILE  47          HD12      ILE  47  20.258   2.043  16.687
  367   HD13  ILE  47          HD13      ILE  47  20.543   1.476  18.362
  368    H    ALA  48           H        ALA  48  23.161   5.668  18.411
  369    HA   ALA  48           HA       ALA  48  22.568   8.400  18.766
  370    HB1  ALA  48           HB1      ALA  48  24.952   8.714  19.180
  371    HB2  ALA  48           HB2      ALA  48  24.346   7.259  20.012
  372    HB3  ALA  48           HB3      ALA  48  25.313   7.098  18.515
  373    H    MET  49           H        MET  49  24.342   6.783  16.129
  374    HA   MET  49           HA       MET  49  25.038   9.126  14.685
  375    HB2  MET  49           HB2      MET  49  24.588   6.244  13.845
  376    HB3  MET  49           HB3      MET  49  25.164   7.480  12.728
  377    HG2  MET  49           HG2      MET  49  26.573   6.972  15.369
  378    HG3  MET  49           HG3      MET  49  26.880   6.007  13.956
  379    HE1  MET  49           HE1      MET  49  28.157   8.589  15.997
  380    HE2  MET  49           HE2      MET  49  28.671   9.977  15.008
  381    HE3  MET  49           HE3      MET  49  26.952   9.738  15.397
  382    H    MET  50           H        MET  50  21.952   7.433  14.947
  383    HA   MET  50           HA       MET  50  20.950   8.888  12.581
  384    HB2  MET  50           HB2      MET  50  19.468   6.954  14.381
  385    HB3  MET  50           HB3      MET  50  18.976   7.566  12.799
  386    HG2  MET  50           HG2      MET  50  20.674   5.325  13.455
  387    HG3  MET  50           HG3      MET  50  19.805   5.686  11.998
  388    HE1  MET  50           HE1      MET  50  21.985   4.012  11.874
  389    HE2  MET  50           HE2      MET  50  23.256   4.608  10.760
  390    HE3  MET  50           HE3      MET  50  23.540   4.631  12.508
  391    H    GLU  51           H        GLU  51  20.830   8.960  16.102
  392    HA   GLU  51           HA       GLU  51  18.851  10.961  16.385
  393    HB2  GLU  51           HB2      GLU  51  19.744   9.416  18.173
  394    HB3  GLU  51           HB3      GLU  51  21.272  10.299  18.165
  395    HG2  GLU  51           HG2      GLU  51  20.114  12.357  18.895
  396    HG3  GLU  51           HG3      GLU  51  18.555  11.528  18.807
  397    H    GLU  52           H        GLU  52  22.289  11.105  15.568
  398    HA   GLU  52           HA       GLU  52  22.732  13.881  15.712
  399    HB2  GLU  52           HB2      GLU  52  23.685  11.889  13.617
  400    HB3  GLU  52           HB3      GLU  52  24.246  13.548  13.739
  401    HG2  GLU  52           HG2      GLU  52  24.976  12.933  16.156
  402    HG3  GLU  52           HG3      GLU  52  24.837  11.253  15.616
  403    H    VAL  53           H        VAL  53  20.621  12.113  13.517
  404    HA   VAL  53           HA       VAL  53  20.167  14.543  11.878
  405    HB   VAL  53           HB       VAL  53  19.852  12.970   9.999
  406   HG11  VAL  53          HG11      VAL  53  22.650  12.923  11.189
  407   HG12  VAL  53          HG12      VAL  53  22.221  12.725   9.480
  408   HG13  VAL  53          HG13      VAL  53  21.933  14.276  10.287
  409   HG21  VAL  53          HG21      VAL  53  21.272  10.884  11.678
  410   HG22  VAL  53          HG22      VAL  53  19.550  10.823  11.201
  411   HG23  VAL  53          HG23      VAL  53  20.814  10.755   9.971
  412    H    GLY  54           H        GLY  54  18.772  13.175  14.323
  413    HA2  GLY  54           HA2      GLY  54  16.633  13.315  15.078
  414    HA3  GLY  54           HA3      GLY  54  16.195  14.124  13.573
  415    H    ILE  55           H        ILE  55  17.494  10.781  13.913
  416    HA   ILE  55           HA       ILE  55  14.852   9.664  13.253
  417    HB   ILE  55           HB       ILE  55  17.441   8.820  11.925
  418   HG12  ILE  55          HG12      ILE  55  14.944  10.284  10.998
  419   HG13  ILE  55          HG13      ILE  55  16.631  10.816  10.916
  420   HG21  ILE  55          HG21      ILE  55  16.071   6.827  12.438
  421   HG22  ILE  55          HG22      ILE  55  14.632   7.619  11.736
  422   HG23  ILE  55          HG23      ILE  55  16.015   7.146  10.736
  423   HD11  ILE  55          HD11      ILE  55  15.999  10.194   8.722
  424   HD12  ILE  55          HD12      ILE  55  17.038   8.875   9.334
  425   HD13  ILE  55          HD13      ILE  55  15.257   8.687   9.296
  426    H    ASP  56           H        ASP  56  14.631   7.461  14.150
  427    HA   ASP  56           HA       ASP  56  16.738   6.569  16.024
  428    HB2  ASP  56           HB2      ASP  56  15.207   7.666  17.538
  429    HB3  ASP  56           HB3      ASP  56  13.811   6.912  16.751
  430    H    ILE  57           H        ILE  57  16.749   4.312  16.201
  431    HA   ILE  57           HA       ILE  57  15.073   2.729  14.462
  432    HB   ILE  57           HB       ILE  57  16.938   1.760  13.287
  433   HG12  ILE  57          HG12      ILE  57  18.745   3.873  14.532
  434   HG13  ILE  57          HG13      ILE  57  18.781   2.143  14.880
  435   HG21  ILE  57          HG21      ILE  57  17.225   3.394  11.629
  436   HG22  ILE  57          HG22      ILE  57  15.723   3.877  12.417
  437   HG23  ILE  57          HG23      ILE  57  17.217   4.740  12.806
  438   HD11  ILE  57          HD11      ILE  57  19.462   1.673  12.553
  439   HD12  ILE  57          HD12      ILE  57  19.412   3.415  12.175
  440   HD13  ILE  57          HD13      ILE  57  20.559   2.801  13.371
  441    H    SER  58           H        SER  58  15.949   3.191  17.448
  442    HA   SER  58           HA       SER  58  16.865   0.602  18.274
  443    HB2  SER  58           HB2      SER  58  16.954   2.802  19.565
  444    HB3  SER  58           HB3      SER  58  15.233   2.569  19.908
  445    HG   SER  58           HG       SER  58  16.606   1.675  21.557
  446    H    GLY  59           H        GLY  59  15.525  -0.980  19.344
  447    HA2  GLY  59           HA2      GLY  59  13.848  -2.496  19.363
  448    HA3  GLY  59           HA3      GLY  59  12.744  -1.120  19.334
  449    H    GLN  60           H        GLN  60  14.441  -0.840  16.412
  450    HA   GLN  60           HA       GLN  60  12.170  -1.328  14.937
  451    HB2  GLN  60           HB2      GLN  60  15.072  -0.938  14.283
  452    HB3  GLN  60           HB3      GLN  60  14.170  -1.771  13.043
  453    HG2  GLN  60           HG2      GLN  60  12.414  -0.022  13.088
  454    HG3  GLN  60           HG3      GLN  60  13.310   0.832  14.373
  455   HE21  GLN  60          HE22      GLN  60  14.992  -0.541  11.449
  456   HE22  GLN  60          HE21      GLN  60  15.532   1.057  10.958
  457    H    THR  61           H        THR  61  14.946  -3.514  15.141
  458    HA   THR  61           HA       THR  61  13.312  -5.819  14.381
  459    HB   THR  61           HB       THR  61  15.270  -6.131  12.572
  460    HG1  THR  61           HG1      THR  61  14.987  -3.573  11.786
  461   HG21  THR  61          HG21      THR  61  12.881  -6.189  12.056
  462   HG22  THR  61          HG22      THR  61  12.795  -4.413  12.136
  463   HG23  THR  61          HG23      THR  61  13.744  -5.189  10.882
  464    H    SER  62           H        SER  62  14.489  -7.870  14.630
  465    HA   SER  62           HA       SER  62  17.019  -7.955  16.063
  466    HB2  SER  62           HB2      SER  62  15.779  -8.830  18.178
  467    HB3  SER  62           HB3      SER  62  15.822  -7.099  17.887
  468    HG   SER  62           HG       SER  62  13.713  -7.854  18.465
  469    H    ASP  63           H        ASP  63  15.843  -9.376  13.638
  470    HA   ASP  63           HA       ASP  63  15.854 -12.155  14.698
  471    HB2  ASP  63           HB2      ASP  63  13.566 -10.794  13.271
  472    HB3  ASP  63           HB3      ASP  63  13.871 -12.502  13.019
  473    HA   PRO  64           HA       PRO  64  18.300 -12.902  11.182
  474    HB2  PRO  64           HB2      PRO  64  18.216 -15.617  10.910
  475    HB3  PRO  64           HB3      PRO  64  18.896 -14.816  12.356
  476    HG2  PRO  64           HG2      PRO  64  16.096 -15.936  11.995
  477    HG3  PRO  64           HG3      PRO  64  17.237 -16.238  13.344
  478    HD2  PRO  64           HD2      PRO  64  15.276 -14.347  13.500
  479    HD3  PRO  64           HD3      PRO  64  16.879 -14.102  14.258
  480    H    ILE  65           H        ILE  65  18.425 -13.721   8.949
  481    HA   ILE  65           HA       ILE  65  16.234 -12.856   7.388
  482    HB   ILE  65           HB       ILE  65  18.604 -12.723   6.721
  483   HG12  ILE  65          HG12      ILE  65  16.851 -14.258   4.751
  484   HG13  ILE  65          HG13      ILE  65  16.955 -12.514   4.991
  485   HG21  ILE  65          HG21      ILE  65  19.930 -14.605   5.997
  486   HG22  ILE  65          HG22      ILE  65  19.333 -14.998   7.598
  487   HG23  ILE  65          HG23      ILE  65  18.566 -15.720   6.166
  488   HD11  ILE  65          HD11      ILE  65  19.435 -12.719   4.295
  489   HD12  ILE  65          HD12      ILE  65  19.033 -14.364   3.777
  490   HD13  ILE  65          HD13      ILE  65  18.210 -12.985   3.032
  491    H    GLU  66           H        GLU  66  17.231 -16.093   8.376
  492    HA   GLU  66           HA       GLU  66  15.603 -17.466   6.516
  493    HB2  GLU  66           HB2      GLU  66  16.998 -18.198   9.111
  494    HB3  GLU  66           HB3      GLU  66  16.025 -19.402   8.238
  495    HG2  GLU  66           HG2      GLU  66  17.426 -19.010   6.201
  496    HG3  GLU  66           HG3      GLU  66  18.441 -17.910   7.136
  497    H    ASN  67           H        ASN  67  14.726 -15.974   9.559
  498    HA   ASN  67           HA       ASN  67  12.256 -17.458   9.752
  499    HB2  ASN  67           HB2      ASN  67  12.126 -16.666  11.804
  500    HB3  ASN  67           HB3      ASN  67  13.700 -15.918  11.585
  501   HD21  ASN  67          HD22      ASN  67  13.681 -13.650  10.597
  502   HD22  ASN  67          HD21      ASN  67  12.325 -12.617  10.970
  503    H    PHE  68           H        PHE  68  13.374 -14.911   7.717
  504    HA   PHE  68           HA       PHE  68  10.669 -13.792   7.351
  505    HB2  PHE  68           HB2      PHE  68  13.407 -12.760   6.535
  506    HB3  PHE  68           HB3      PHE  68  11.910 -12.072   5.954
  507    HD1  PHE  68           HD1      PHE  68  10.199 -11.135   7.624
  508    HD2  PHE  68           HD2      PHE  68  14.256 -12.096   8.670
  509    HE1  PHE  68           HE1      PHE  68  10.051  -9.619   9.583
  510    HE2  PHE  68           HE2      PHE  68  14.124 -10.551  10.624
  511    HZ   PHE  68           HZ       PHE  68  12.010  -9.313  11.077
  512    H    ASN  69           H        ASN  69  10.349 -13.185   4.925
  513    HA   ASN  69           HA       ASN  69  11.234 -15.211   3.002
  514    HB2  ASN  69           HB2      ASN  69   8.739 -15.598   2.421
  515    HB3  ASN  69           HB3      ASN  69   9.510 -16.542   3.680
  516   HD21  ASN  69          HD22      ASN  69   7.792 -13.340   3.541
  517   HD22  ASN  69          HD21      ASN  69   6.747 -13.689   4.915
  518    H    ALA  70           H        ALA  70  12.093 -13.758   1.629
  519    HA   ALA  70           HA       ALA  70  11.175 -11.213   0.924
  520    HB1  ALA  70           HB1      ALA  70  12.255 -11.697  -1.273
  521    HB2  ALA  70           HB2      ALA  70  13.266 -12.009   0.146
  522    HB3  ALA  70           HB3      ALA  70  12.508 -13.369  -0.738
  523    H    ASP  71           H        ASP  71   9.844 -14.366   0.107
  524    HA   ASP  71           HA       ASP  71   8.294 -13.795  -2.164
  525    HB2  ASP  71           HB2      ASP  71   8.528 -16.038  -1.193
  526    HB3  ASP  71           HB3      ASP  71   7.625 -15.530   0.238
  527    H    ASP  72           H        ASP  72   7.982 -12.538   1.059
  528    HA   ASP  72           HA       ASP  72   5.364 -11.298   0.353
  529    HB2  ASP  72           HB2      ASP  72   5.365 -12.963   2.268
  530    HB3  ASP  72           HB3      ASP  72   6.349 -11.790   3.158
  531    H    TYR  73           H        TYR  73   8.377 -10.262  -0.018
  532    HA   TYR  73           HA       TYR  73   7.542  -7.586   0.755
  533    HB2  TYR  73           HB2      TYR  73  10.402  -8.459   1.030
  534    HB3  TYR  73           HB3      TYR  73   9.713  -6.851   1.367
  535    HD1  TYR  73           HD1      TYR  73   9.780 -10.396   2.448
  536    HD2  TYR  73           HD2      TYR  73   8.662  -6.388   3.497
  537    HE1  TYR  73           HE1      TYR  73   9.140 -11.202   4.690
  538    HE2  TYR  73           HE2      TYR  73   8.024  -7.160   5.781
  539    HH   TYR  73           HH       TYR  73   7.790  -8.996   7.219
  540    H    ASP  74           H        ASP  74   7.308  -6.447  -1.110
  541    HA   ASP  74           HA       ASP  74   7.885  -7.767  -3.592
  542    HB2  ASP  74           HB2      ASP  74   7.257  -4.816  -3.151
  543    HB3  ASP  74           HB3      ASP  74   7.001  -5.736  -4.628
  544    H    VAL  75           H        VAL  75   9.981  -5.832  -1.663
  545    HA   VAL  75           HA       VAL  75  11.857  -5.360  -3.914
  546    HB   VAL  75           HB       VAL  75  10.501  -3.493  -2.101
  547   HG11  VAL  75          HG11      VAL  75  11.907  -1.763  -2.149
  548   HG12  VAL  75          HG12      VAL  75  13.142  -3.030  -2.307
  549   HG13  VAL  75          HG13      VAL  75  12.558  -2.127  -3.717
  550   HG21  VAL  75          HG21      VAL  75   9.292  -3.675  -4.115
  551   HG22  VAL  75          HG22      VAL  75  10.038  -2.095  -4.043
  552   HG23  VAL  75          HG23      VAL  75  10.747  -3.360  -5.070
  553    H    VAL  76           H        VAL  76  13.862  -6.235  -3.157
  554    HA   VAL  76           HA       VAL  76  14.234  -6.197  -0.205
  555    HB   VAL  76           HB       VAL  76  15.223  -8.426  -0.432
  556   HG11  VAL  76          HG11      VAL  76  13.115  -9.629  -0.312
  557   HG12  VAL  76          HG12      VAL  76  12.844  -8.027   0.363
  558   HG13  VAL  76          HG13      VAL  76  12.293  -8.382  -1.270
  559   HG21  VAL  76          HG21      VAL  76  13.897  -8.561  -3.176
  560   HG22  VAL  76          HG22      VAL  76  15.639  -8.596  -2.845
  561   HG23  VAL  76          HG23      VAL  76  14.616  -9.913  -2.282
  562    H    ILE  77           H        ILE  77  16.114  -5.561   0.481
  563    HA   ILE  77           HA       ILE  77  18.189  -4.893  -1.537
  564    HB   ILE  77           HB       ILE  77  17.211  -3.269   0.827
  565   HG12  ILE  77          HG12      ILE  77  15.393  -3.287  -0.823
  566   HG13  ILE  77          HG13      ILE  77  16.142  -1.729  -0.689
  567   HG21  ILE  77          HG21      ILE  77  19.101  -2.608  -1.470
  568   HG22  ILE  77          HG22      ILE  77  18.536  -1.486  -0.207
  569   HG23  ILE  77          HG23      ILE  77  19.551  -2.861   0.220
  570   HD11  ILE  77          HD11      ILE  77  17.271  -1.978  -2.833
  571   HD12  ILE  77          HD12      ILE  77  16.887  -3.690  -2.903
  572   HD13  ILE  77          HD13      ILE  77  15.580  -2.502  -3.048
  573    H    SER  78           H        SER  78  19.556  -6.552  -1.048
  574    HA   SER  78           HA       SER  78  20.098  -7.254   1.717
  575    HB2  SER  78           HB2      SER  78  20.080  -8.998   0.170
  576    HB3  SER  78           HB3      SER  78  21.149  -8.148  -0.965
  577    HG   SER  78           HG       SER  78  22.835  -8.647   0.150
  578    H    LEU  79           H        LEU  79  22.393  -7.055   2.612
  579    HA   LEU  79           HA       LEU  79  24.092  -5.078   1.325
  580    HB2  LEU  79           HB2      LEU  79  23.309  -4.624   4.232
  581    HB3  LEU  79           HB3      LEU  79  24.601  -3.848   3.339
  582    HG   LEU  79           HG       LEU  79  22.838  -2.952   1.752
  583   HD11  LEU  79          HD11      LEU  79  21.011  -4.283   3.568
  584   HD12  LEU  79          HD12      LEU  79  20.685  -2.532   3.533
  585   HD13  LEU  79          HD13      LEU  79  20.688  -3.462   2.047
  586   HD21  LEU  79          HD21      LEU  79  22.448  -0.978   3.155
  587   HD22  LEU  79          HD22      LEU  79  22.885  -1.923   4.601
  588   HD23  LEU  79          HD23      LEU  79  24.100  -1.570   3.342
  589    H    CYS  80           H        CYS  80  24.377  -7.561   1.104
  590    HA   CYS  80           HA       CYS  80  26.111  -8.625   3.299
  591    HB2  CYS  80           HB2      CYS  80  24.372 -10.152   1.297
  592    HB3  CYS  80           HB3      CYS  80  25.359 -10.844   2.600
  593    HG   CYS  80           HG       CYS  80  22.471  -9.518   2.485
  594    H    GLY  81           H        GLY  81  26.561  -6.906   0.710
  595    HA2  GLY  81           HA2      GLY  81  28.596  -6.565  -0.342
  596    HA3  GLY  81           HA3      GLY  81  29.165  -8.150   0.189
  597    H    CYS  82           H        CYS  82  26.093  -7.663  -1.485
  598    HA   CYS  82           HA       CYS  82  25.207  -8.860  -3.209
  599    HB2  CYS  82           HB2      CYS  82  26.241  -6.669  -4.002
  600    HB3  CYS  82           HB3      CYS  82  27.523  -7.655  -4.748
  601    HG   CYS  82           HG       CYS  82  25.945  -9.115  -6.210
  602    H    GLY  83           H        GLY  83  26.776 -10.667  -1.708
  603    HA2  GLY  83           HA2      GLY  83  27.645 -12.651  -3.730
  604    HA3  GLY  83           HA3      GLY  83  28.866 -11.992  -2.623
  605    H    VAL  84           H        VAL  84  25.424 -12.808  -2.047
  606    HA   VAL  84           HA       VAL  84  26.256 -14.813  -0.075
  607    HB   VAL  84           HB       VAL  84  25.558 -12.457   0.760
  608   HG11  VAL  84          HG11      VAL  84  23.773 -12.125  -0.913
  609   HG12  VAL  84          HG12      VAL  84  22.829 -13.440  -0.176
  610   HG13  VAL  84          HG13      VAL  84  23.131 -11.942   0.734
  611   HG21  VAL  84          HG21      VAL  84  24.243 -13.123   2.667
  612   HG22  VAL  84          HG22      VAL  84  23.752 -14.631   1.888
  613   HG23  VAL  84          HG23      VAL  84  25.456 -14.383   2.344
  614    H    ASN  85           H        ASN  85  24.895 -14.611  -2.741
  615    HA   ASN  85           HA       ASN  85  23.358 -15.891  -4.027
  616    HB2  ASN  85           HB2      ASN  85  25.220 -17.351  -3.869
  617    HB3  ASN  85           HB3      ASN  85  24.844 -17.793  -2.209
  618   HD21  ASN  85          HD22      ASN  85  24.314 -19.843  -2.127
  619   HD22  ASN  85          HD21      ASN  85  23.274 -20.715  -3.247
  620    H    LEU  86           H        LEU  86  21.726 -14.524  -2.754
  621    HA   LEU  86           HA       LEU  86  20.341 -15.485  -0.514
  622    HB2  LEU  86           HB2      LEU  86  19.252 -13.791  -2.792
  623    HB3  LEU  86           HB3      LEU  86  18.456 -14.026  -1.240
  624    HG   LEU  86           HG       LEU  86  21.153 -12.692  -1.541
  625   HD11  LEU  86          HD11      LEU  86  19.280 -11.469  -2.681
  626   HD12  LEU  86          HD12      LEU  86  18.470 -11.341  -1.103
  627   HD13  LEU  86          HD13      LEU  86  20.061 -10.590  -1.363
  628   HD21  LEU  86          HD21      LEU  86  20.700 -13.613   0.756
  629   HD22  LEU  86          HD22      LEU  86  20.739 -11.847   0.743
  630   HD23  LEU  86          HD23      LEU  86  19.182 -12.705   0.799
  631    HA   PRO  87           HA       PRO  87  17.884 -18.847  -2.193
  632    HB2  PRO  87           HB2      PRO  87  15.523 -17.727  -0.725
  633    HB3  PRO  87           HB3      PRO  87  16.151 -19.393  -0.739
  634    HG2  PRO  87           HG2      PRO  87  16.648 -17.703   1.382
  635    HG3  PRO  87           HG3      PRO  87  17.881 -18.862   0.800
  636    HD2  PRO  87           HD2      PRO  87  17.717 -15.899   0.311
  637    HD3  PRO  87           HD3      PRO  87  19.143 -16.943   0.560
  638    HA   PRO  88           HA       PRO  88  16.051 -17.401  -5.749
  639    HB2  PRO  88           HB2      PRO  88  13.720 -19.322  -5.455
  640    HB3  PRO  88           HB3      PRO  88  14.735 -19.012  -6.903
  641    HG2  PRO  88           HG2      PRO  88  15.219 -21.168  -5.336
  642    HG3  PRO  88           HG3      PRO  88  16.586 -20.173  -5.938
  643    HD2  PRO  88           HD2      PRO  88  15.302 -20.146  -3.204
  644    HD3  PRO  88           HD3      PRO  88  17.029 -20.056  -3.656
  645    H    GLU  89           H        GLU  89  13.625 -17.409  -3.132
  646    HA   GLU  89           HA       GLU  89  11.666 -15.879  -4.524
  647    HB2  GLU  89           HB2      GLU  89  10.822 -15.410  -2.213
  648    HB3  GLU  89           HB3      GLU  89  10.960 -17.117  -2.651
  649    HG2  GLU  89           HG2      GLU  89  13.060 -17.287  -1.331
  650    HG3  GLU  89           HG3      GLU  89  12.921 -15.582  -0.901
  651    H    TRP  90           H        TRP  90  14.658 -15.043  -2.959
  652    HA   TRP  90           HA       TRP  90  14.018 -12.272  -2.580
  653    HB2  TRP  90           HB2      TRP  90  16.632 -13.817  -2.594
  654    HB3  TRP  90           HB3      TRP  90  16.536 -12.104  -2.225
  655    HD1  TRP  90           HD1      TRP  90  15.390 -15.470  -0.757
  656    HE1  TRP  90           HE1      TRP  90  14.953 -15.215   1.755
  657    HE3  TRP  90           HE3      TRP  90  16.133 -10.453  -0.320
  658    HZ2  TRP  90           HZ2      TRP  90  14.803 -13.087   3.679
  659    HZ3  TRP  90           HZ3      TRP  90  15.750  -9.297   1.850
  660    HH2  TRP  90           HH2      TRP  90  15.106 -10.626   3.866
  661    H    VAL  91           H        VAL  91  14.541 -13.928  -5.530
  662    HA   VAL  91           HA       VAL  91  15.545 -11.420  -6.726
  663    HB   VAL  91           HB       VAL  91  16.551 -12.730  -8.480
  664   HG11  VAL  91          HG11      VAL  91  17.526 -13.645  -5.732
  665   HG12  VAL  91          HG12      VAL  91  18.484 -13.494  -7.220
  666   HG13  VAL  91          HG13      VAL  91  17.838 -12.047  -6.432
  667   HG21  VAL  91          HG21      VAL  91  16.112 -15.243  -6.859
  668   HG22  VAL  91          HG22      VAL  91  15.133 -14.815  -8.288
  669   HG23  VAL  91          HG23      VAL  91  16.876 -15.075  -8.443
  670    H    THR  92           H        THR  92  12.699 -13.232  -6.505
  671    HA   THR  92           HA       THR  92  11.812 -12.712  -9.243
  672    HB   THR  92           HB       THR  92   9.712 -13.804  -8.286
  673    HG1  THR  92           HG1      THR  92   9.840 -14.623  -6.238
  674   HG21  THR  92          HG21      THR  92  10.801 -16.032  -8.132
  675   HG22  THR  92          HG22      THR  92  11.497 -15.083  -9.459
  676   HG23  THR  92          HG23      THR  92  12.389 -15.254  -7.936
  677    H    GLN  93           H        GLN  93  11.693 -11.081  -6.201
  678    HA   GLN  93           HA       GLN  93   9.548  -9.430  -6.212
  679    HB2  GLN  93           HB2      GLN  93  12.477  -9.117  -5.422
  680    HB3  GLN  93           HB3      GLN  93  11.216  -8.060  -4.829
  681    HG2  GLN  93           HG2      GLN  93  11.971 -10.786  -4.036
  682    HG3  GLN  93           HG3      GLN  93  11.370  -9.468  -3.069
  683   HE21  GLN  93          HE21      GLN  93  10.690 -12.496  -4.064
  684   HE22  GLN  93          HE22      GLN  93   8.931 -12.492  -4.117
  685    H    GLU  94           H        GLU  94   9.579  -7.007  -6.419
  686    HA   GLU  94           HA       GLU  94   9.849  -6.311  -9.182
  687    HB2  GLU  94           HB2      GLU  94   7.976  -5.343  -8.275
  688    HB3  GLU  94           HB3      GLU  94   8.685  -5.186  -6.667
  689    HG2  GLU  94           HG2      GLU  94   9.901  -3.289  -7.184
  690    HG3  GLU  94           HG3      GLU  94   9.579  -3.422  -8.924
  691    H    ILE  95           H        ILE  95  11.504  -5.664  -6.088
  692    HA   ILE  95           HA       ILE  95  13.847  -4.756  -7.713
  693    HB   ILE  95           HB       ILE  95  13.016  -3.702  -5.020
  694   HG12  ILE  95          HG12      ILE  95  11.964  -2.522  -6.879
  695   HG13  ILE  95          HG13      ILE  95  13.093  -1.525  -5.942
  696   HG21  ILE  95          HG21      ILE  95  15.402  -4.016  -4.872
  697   HG22  ILE  95          HG22      ILE  95  15.658  -3.394  -6.513
  698   HG23  ILE  95          HG23      ILE  95  15.155  -2.298  -5.220
  699   HD11  ILE  95          HD11      ILE  95  14.723  -1.630  -7.784
  700   HD12  ILE  95          HD12      ILE  95  13.649  -2.715  -8.700
  701   HD13  ILE  95          HD13      ILE  95  13.158  -1.045  -8.368
  702    H    PHE  96           H        PHE  96  15.685  -5.782  -7.264
  703    HA   PHE  96           HA       PHE  96  16.106  -7.179  -4.744
  704    HB2  PHE  96           HB2      PHE  96  15.691  -9.172  -5.968
  705    HB3  PHE  96           HB3      PHE  96  16.405  -8.524  -7.447
  706    HD1  PHE  96           HD1      PHE  96  17.689  -8.580  -3.868
  707    HD2  PHE  96           HD2      PHE  96  18.404  -9.651  -7.991
  708    HE1  PHE  96           HE1      PHE  96  20.049  -9.046  -3.331
  709    HE2  PHE  96           HE2      PHE  96  20.743 -10.249  -7.404
  710    HZ   PHE  96           HZ       PHE  96  21.570  -9.948  -5.084
  711    H    GLU  97           H        GLU  97  17.769  -5.970  -4.077
  712    HA   GLU  97           HA       GLU  97  19.967  -5.397  -5.943
  713    HB2  GLU  97           HB2      GLU  97  18.470  -3.296  -4.338
  714    HB3  GLU  97           HB3      GLU  97  20.169  -3.095  -4.742
  715    HG2  GLU  97           HG2      GLU  97  19.650  -3.245  -7.131
  716    HG3  GLU  97           HG3      GLU  97  17.934  -3.489  -6.759
  717    H    ASP  98           H        ASP  98  21.792  -4.582  -4.534
  718    HA   ASP  98           HA       ASP  98  21.730  -5.456  -1.801
  719    HB2  ASP  98           HB2      ASP  98  22.597  -7.493  -2.859
  720    HB3  ASP  98           HB3      ASP  98  23.869  -6.540  -3.628
  721    H    TRP  99           H        TRP  99  22.605  -3.805  -0.716
  722    HA   TRP  99           HA       TRP  99  24.215  -1.782  -2.188
  723    HB2  TRP  99           HB2      TRP  99  22.403  -1.542   0.241
  724    HB3  TRP  99           HB3      TRP  99  23.425  -0.258  -0.357
  725    HD1  TRP  99           HD1      TRP  99  22.243  -1.602  -3.503
  726    HE1  TRP  99           HE1      TRP  99  20.089  -0.555  -4.317
  727    HE3  TRP  99           HE3      TRP  99  20.763   0.631   0.868
  728    HZ2  TRP  99           HZ2      TRP  99  17.744   0.670  -3.102
  729    HZ3  TRP  99           HZ3      TRP  99  18.481   1.628   1.019
  730    HH2  TRP  99           HH2      TRP  99  16.977   1.583  -0.929
  731    H    GLN 100           H        GLN 100  25.857  -3.299  -2.050
  732    HA   GLN 100           HA       GLN 100  27.189  -4.418   0.046
  733    HB2  GLN 100           HB2      GLN 100  29.127  -4.430  -1.435
  734    HB3  GLN 100           HB3      GLN 100  27.644  -5.006  -2.173
  735    HG2  GLN 100           HG2      GLN 100  28.733  -2.190  -2.593
  736    HG3  GLN 100           HG3      GLN 100  29.219  -3.559  -3.589
  737   HE21  GLN 100          HE22      GLN 100  27.370  -4.802  -4.724
  738   HE22  GLN 100          HE21      GLN 100  25.954  -3.888  -5.190
  739    H    LEU 101           H        LEU 101  26.614  -1.380   0.633
  740    HA   LEU 101           HA       LEU 101  28.950   0.158   0.243
  741    HB2  LEU 101           HB2      LEU 101  26.407   0.472   1.899
  742    HB3  LEU 101           HB3      LEU 101  27.721   1.581   2.186
  743    HG   LEU 101           HG       LEU 101  25.896   2.419   0.654
  744   HD11  LEU 101          HD11      LEU 101  27.466   3.549  -0.867
  745   HD12  LEU 101          HD12      LEU 101  28.178   3.432   0.753
  746   HD13  LEU 101          HD13      LEU 101  28.719   2.338  -0.537
  747   HD21  LEU 101          HD21      LEU 101  25.917   1.810  -1.672
  748   HD22  LEU 101          HD22      LEU 101  27.165   0.582  -1.426
  749   HD23  LEU 101          HD23      LEU 101  25.549   0.383  -0.693
  750    H    GLU 102           H        GLU 102  30.798   0.275   1.347
  751    HA   GLU 102           HA       GLU 102  32.375   0.002   2.903
  752    HB2  GLU 102           HB2      GLU 102  30.363   1.802   3.677
  753    HB3  GLU 102           HB3      GLU 102  30.688   0.904   5.139
  754    HG2  GLU 102           HG2      GLU 102  32.743   2.231   3.328
  755    HG3  GLU 102           HG3      GLU 102  32.129   2.939   4.818
  756    H    ASP 103           H        ASP 103  32.041  -0.514   5.692
  757    HA   ASP 103           HA       ASP 103  31.261  -3.279   6.122
  758    HB2  ASP 103           HB2      ASP 103  33.341  -3.495   4.695
  759    HB3  ASP 103           HB3      ASP 103  34.220  -2.547   5.885
  760    HA   PRO 104           HA       PRO 104  32.069  -0.282   9.550
  761    HB2  PRO 104           HB2      PRO 104  29.628   0.581  10.407
  762    HB3  PRO 104           HB3      PRO 104  30.351   1.162   8.888
  763    HG2  PRO 104           HG2      PRO 104  28.370  -1.132   9.231
  764    HG3  PRO 104           HG3      PRO 104  28.256   0.283   8.128
  765    HD2  PRO 104           HD2      PRO 104  29.274  -2.147   7.309
  766    HD3  PRO 104           HD3      PRO 104  29.874  -0.584   6.686
  767    H    ASP 105           H        ASP 105  32.613  -2.820  10.074
  768    HA   ASP 105           HA       ASP 105  31.027  -4.392  11.814
  769    HB2  ASP 105           HB2      ASP 105  33.293  -5.037  10.853
  770    HB3  ASP 105           HB3      ASP 105  34.046  -3.958  11.998
  771    H    GLY 106           H        GLY 106  33.332  -1.875  12.545
  772    HA2  GLY 106           HA2      GLY 106  31.926  -0.750  14.821
  773    HA3  GLY 106           HA3      GLY 106  33.302  -1.744  15.322
  774    H    GLN 107           H        GLN 107  32.792   0.433  12.492
  775    HA   GLN 107           HA       GLN 107  35.521   1.416  12.614
  776    HB2  GLN 107           HB2      GLN 107  33.087   2.060  10.881
  777    HB3  GLN 107           HB3      GLN 107  34.561   2.993  10.768
  778    HG2  GLN 107           HG2      GLN 107  35.358   0.245  10.758
  779    HG3  GLN 107           HG3      GLN 107  34.056   0.434   9.581
  780   HE21  GLN 107          HE22      GLN 107  34.646   1.233   7.533
  781   HE22  GLN 107          HE21      GLN 107  36.163   2.043   7.226
  782    H    SER 108           H        SER 108  35.778   3.805  12.205
  783    HA   SER 108           HA       SER 108  35.282   5.323  14.572
  784    HB2  SER 108           HB2      SER 108  35.935   6.363  11.777
  785    HB3  SER 108           HB3      SER 108  36.285   7.160  13.320
  786    HG   SER 108           HG       SER 108  37.826   5.559  13.766
  787    H    LEU 109           H        LEU 109  33.863   7.171  14.850
  788    HA   LEU 109           HA       LEU 109  31.199   6.809  13.955
  789    HB2  LEU 109           HB2      LEU 109  32.533   9.340  15.006
  790    HB3  LEU 109           HB3      LEU 109  30.811   9.144  14.734
  791    HG   LEU 109           HG       LEU 109  32.521   7.774  16.826
  792   HD11  LEU 109          HD11      LEU 109  30.024   9.532  17.016
  793   HD12  LEU 109          HD12      LEU 109  30.942   8.856  18.377
  794   HD13  LEU 109          HD13      LEU 109  31.691  10.054  17.309
  795   HD21  LEU 109          HD21      LEU 109  31.093   5.990  16.080
  796   HD22  LEU 109          HD22      LEU 109  30.414   6.624  17.582
  797   HD23  LEU 109          HD23      LEU 109  29.671   7.050  16.025
  798    H    GLU 110           H        GLU 110  33.840   8.662  12.487
  799    HA   GLU 110           HA       GLU 110  32.258  10.183  10.678
  800    HB2  GLU 110           HB2      GLU 110  35.053   9.018  10.362
  801    HB3  GLU 110           HB3      GLU 110  34.320  10.221   9.270
  802    HG2  GLU 110           HG2      GLU 110  33.952  11.699  11.238
  803    HG3  GLU 110           HG3      GLU 110  34.861  10.546  12.233
  804    H    VAL 111           H        VAL 111  33.511   6.784  10.419
  805    HA   VAL 111           HA       VAL 111  32.501   6.607   7.744
  806    HB   VAL 111           HB       VAL 111  33.303   4.435   9.736
  807   HG11  VAL 111          HG11      VAL 111  33.483   2.986   7.733
  808   HG12  VAL 111          HG12      VAL 111  31.837   3.501   8.003
  809   HG13  VAL 111          HG13      VAL 111  32.822   4.278   6.727
  810   HG21  VAL 111          HG21      VAL 111  35.215   5.904   9.175
  811   HG22  VAL 111          HG22      VAL 111  35.415   4.337   8.404
  812   HG23  VAL 111          HG23      VAL 111  34.866   5.721   7.440
  813    H    PHE 112           H        PHE 112  31.245   5.558  10.997
  814    HA   PHE 112           HA       PHE 112  28.784   4.546  10.122
  815    HB2  PHE 112           HB2      PHE 112  29.494   6.194  12.566
  816    HB3  PHE 112           HB3      PHE 112  27.842   5.805  12.160
  817    HD1  PHE 112           HD2      PHE 112  31.139   4.030  12.674
  818    HD2  PHE 112           HD1      PHE 112  26.842   3.929  13.012
  819    HE1  PHE 112           HE2      PHE 112  31.272   1.857  13.856
  820    HE2  PHE 112           HE1      PHE 112  26.989   1.749  14.167
  821    HZ   PHE 112           HZ       PHE 112  29.205   0.696  14.584
  822    H    ARG 113           H        ARG 113  29.584   8.064  10.635
  823    HA   ARG 113           HA       ARG 113  27.084   9.135   9.792
  824    HB2  ARG 113           HB2      ARG 113  29.905  10.296   9.491
  825    HB3  ARG 113           HB3      ARG 113  28.438  11.186   9.143
  826    HG2  ARG 113           HG2      ARG 113  27.718  10.919  11.503
  827    HG3  ARG 113           HG3      ARG 113  29.231  10.104  11.884
  828    HD2  ARG 113           HD2      ARG 113  30.527  12.052  11.222
  829    HD3  ARG 113           HD3      ARG 113  29.054  12.911  10.728
  830    HE   ARG 113           HE       ARG 113  28.366  12.427  13.223
  831   HH11  ARG 113          HH21      ARG 113  31.496  13.692  12.020
  832   HH12  ARG 113          HH22      ARG 113  31.889  14.483  13.504
  833   HH21  ARG 113          HH11      ARG 113  28.894  13.411  15.129
  834   HH22  ARG 113          HH12      ARG 113  30.362  14.341  15.345
  835    H    THR 114           H        THR 114  30.024   8.394   7.896
  836    HA   THR 114           HA       THR 114  29.009   9.530   5.496
  837    HB   THR 114           HB       THR 114  31.200   7.448   5.963
  838    HG1  THR 114           HG1      THR 114  31.702   9.316   7.026
  839   HG21  THR 114          HG21      THR 114  30.624   9.209   3.536
  840   HG22  THR 114          HG22      THR 114  32.146   8.321   3.809
  841   HG23  THR 114          HG23      THR 114  30.630   7.435   3.611
  842    H    VAL 115           H        VAL 115  28.974   6.192   6.807
  843    HA   VAL 115           HA       VAL 115  28.136   4.942   4.335
  844    HB   VAL 115           HB       VAL 115  28.030   4.017   7.247
  845   HG11  VAL 115          HG11      VAL 115  26.335   2.719   5.993
  846   HG12  VAL 115          HG12      VAL 115  27.495   2.429   4.677
  847   HG13  VAL 115          HG13      VAL 115  27.758   1.719   6.284
  848   HG21  VAL 115          HG21      VAL 115  30.304   4.360   6.262
  849   HG22  VAL 115          HG22      VAL 115  29.972   2.644   6.476
  850   HG23  VAL 115          HG23      VAL 115  29.829   3.440   4.871
  851    H    ARG 116           H        ARG 116  26.452   5.921   7.352
  852    HA   ARG 116           HA       ARG 116  23.766   5.577   6.740
  853    HB2  ARG 116           HB2      ARG 116  24.576   6.341   8.864
  854    HB3  ARG 116           HB3      ARG 116  25.409   7.703   8.134
  855    HG2  ARG 116           HG2      ARG 116  23.092   8.692   7.595
  856    HG3  ARG 116           HG3      ARG 116  22.480   7.437   8.690
  857    HD2  ARG 116           HD2      ARG 116  22.858   9.064  10.214
  858    HD3  ARG 116           HD3      ARG 116  24.491   8.283  10.200
  859    HE   ARG 116           HE       ARG 116  24.374  10.370   8.241
  860   HH11  ARG 116          HH11      ARG 116  24.395  10.169  11.805
  861   HH12  ARG 116          HH12      ARG 116  25.559  11.436  12.012
  862   HH21  ARG 116          HH21      ARG 116  25.632  12.279   8.544
  863   HH22  ARG 116          HH22      ARG 116  26.035  12.801  10.137
  864    H    GLY 117           H        GLY 117  25.736   8.525   5.789
  865    HA2  GLY 117           HA2      GLY 117  23.534   9.676   4.420
  866    HA3  GLY 117           HA3      GLY 117  25.247  10.082   4.147
  867    H    GLN 118           H        GLN 118  26.159   7.534   3.211
  868    HA   GLN 118           HA       GLN 118  25.395   7.666   0.477
  869    HB2  GLN 118           HB2      GLN 118  26.874   5.513   2.046
  870    HB3  GLN 118           HB3      GLN 118  26.780   5.586   0.276
  871    HG2  GLN 118           HG2      GLN 118  27.843   7.790   0.265
  872    HG3  GLN 118           HG3      GLN 118  27.880   7.838   2.008
  873   HE21  GLN 118          HE22      GLN 118  30.129   7.816  -0.121
  874   HE22  GLN 118          HE21      GLN 118  31.220   6.586   0.474
  875    H    VAL 119           H        VAL 119  24.385   5.577   3.136
  876    HA   VAL 119           HA       VAL 119  22.700   3.832   1.594
  877    HB   VAL 119           HB       VAL 119  22.694   4.657   4.536
  878   HG11  VAL 119          HG11      VAL 119  20.401   4.031   4.052
  879   HG12  VAL 119          HG12      VAL 119  20.950   2.549   3.228
  880   HG13  VAL 119          HG13      VAL 119  21.211   2.771   4.982
  881   HG21  VAL 119          HG21      VAL 119  24.593   3.173   3.618
  882   HG22  VAL 119          HG22      VAL 119  23.631   2.442   4.915
  883   HG23  VAL 119          HG23      VAL 119  23.362   1.970   3.224
  884    H    LYS 120           H        LYS 120  22.157   7.058   3.217
  885    HA   LYS 120           HA       LYS 120  19.373   7.016   2.863
  886    HB2  LYS 120           HB2      LYS 120  19.318   9.056   3.747
  887    HB3  LYS 120           HB3      LYS 120  20.923   8.606   4.242
  888    HG2  LYS 120           HG2      LYS 120  21.888  10.342   3.237
  889    HG3  LYS 120           HG3      LYS 120  21.089  10.116   1.718
  890    HD2  LYS 120           HD2      LYS 120  19.765  11.346   4.176
  891    HD3  LYS 120           HD3      LYS 120  20.541  12.300   2.914
  892    HE2  LYS 120           HE2      LYS 120  18.380  10.324   2.097
  893    HE3  LYS 120           HE3      LYS 120  17.891  11.797   2.931
  894    HZ1  LYS 120           HZ1      LYS 120  17.894  12.013   0.498
  895    HZ2  LYS 120           HZ2      LYS 120  18.887  13.108   1.202
  896    HZ3  LYS 120           HZ3      LYS 120  19.523  11.800   0.441
  897    H    GLU 121           H        GLU 121  21.875   8.160   0.607
  898    HA   GLU 121           HA       GLU 121  19.990   9.099  -1.331
  899    HB2  GLU 121           HB2      GLU 121  22.851   8.060  -1.685
  900    HB3  GLU 121           HB3      GLU 121  21.923   8.853  -2.951
  901    HG2  GLU 121           HG2      GLU 121  22.806  10.111  -0.325
  902    HG3  GLU 121           HG3      GLU 121  23.508  10.387  -1.918
  903    H    ARG 122           H        ARG 122  21.528   5.857  -0.824
  904    HA   ARG 122           HA       ARG 122  20.323   4.781  -3.235
  905    HB2  ARG 122           HB2      ARG 122  21.468   3.371  -0.803
  906    HB3  ARG 122           HB3      ARG 122  20.822   2.599  -2.265
  907    HG2  ARG 122           HG2      ARG 122  22.446   4.263  -3.550
  908    HG3  ARG 122           HG3      ARG 122  23.309   4.314  -2.004
  909    HD2  ARG 122           HD2      ARG 122  23.540   1.880  -2.038
  910    HD3  ARG 122           HD3      ARG 122  22.510   1.804  -3.505
  911    HE   ARG 122           HE       ARG 122  24.734   3.507  -4.028
  912   HH11  ARG 122          HH22      ARG 122  23.901   0.086  -3.776
  913   HH12  ARG 122          HH21      ARG 122  25.441  -0.505  -4.333
  914   HH21  ARG 122          HH12      ARG 122  26.650   2.759  -5.115
  915   HH22  ARG 122          HH11      ARG 122  26.920   1.070  -5.334
  916    H    VAL 123           H        VAL 123  19.231   4.824   0.212
  917    HA   VAL 123           HA       VAL 123  16.785   3.535  -0.164
  918    HB   VAL 123           HB       VAL 123  17.608   5.830   1.587
  919   HG11  VAL 123          HG11      VAL 123  15.239   6.038   1.440
  920   HG12  VAL 123          HG12      VAL 123  15.026   4.283   1.692
  921   HG13  VAL 123          HG13      VAL 123  15.657   5.333   2.991
  922   HG21  VAL 123          HG21      VAL 123  17.072   2.918   2.313
  923   HG22  VAL 123          HG22      VAL 123  18.700   3.598   2.053
  924   HG23  VAL 123          HG23      VAL 123  17.704   4.190   3.374
  925    H    GLU 124           H        GLU 124  17.488   7.046  -0.555
  926    HA   GLU 124           HA       GLU 124  14.876   7.628  -1.403
  927    HB2  GLU 124           HB2      GLU 124  16.471   9.113  -0.411
  928    HB3  GLU 124           HB3      GLU 124  17.467   9.107  -1.902
  929    HG2  GLU 124           HG2      GLU 124  15.555  10.022  -3.144
  930    HG3  GLU 124           HG3      GLU 124  14.565   9.979  -1.662
  931    H    ASN 125           H        ASN 125  17.690   6.609  -3.299
  932    HA   ASN 125           HA       ASN 125  16.550   7.009  -5.878
  933    HB2  ASN 125           HB2      ASN 125  18.735   5.246  -4.787
  934    HB3  ASN 125           HB3      ASN 125  18.098   4.899  -6.379
  935   HD21  ASN 125          HD22      ASN 125  19.646   7.534  -4.475
  936   HD22  ASN 125          HD21      ASN 125  20.306   8.365  -5.875
  937    H    LEU 126           H        LEU 126  16.508   4.177  -3.664
  938    HA   LEU 126           HA       LEU 126  14.960   2.462  -5.359
  939    HB2  LEU 126           HB2      LEU 126  15.787   1.239  -3.777
  940    HB3  LEU 126           HB3      LEU 126  15.886   2.547  -2.595
  941    HG   LEU 126           HG       LEU 126  13.154   1.416  -2.991
  942   HD11  LEU 126          HD11      LEU 126  14.399  -0.599  -3.190
  943   HD12  LEU 126          HD12      LEU 126  15.468  -0.129  -1.851
  944   HD13  LEU 126          HD13      LEU 126  13.776  -0.540  -1.520
  945   HD21  LEU 126          HD21      LEU 126  13.734   3.101  -1.202
  946   HD22  LEU 126          HD22      LEU 126  13.017   1.596  -0.597
  947   HD23  LEU 126          HD23      LEU 126  14.767   1.874  -0.452
  948    H    ILE 127           H        ILE 127  14.031   4.801  -2.912
  949    HA   ILE 127           HA       ILE 127  11.171   4.495  -3.094
  950    HB   ILE 127           HB       ILE 127  13.197   6.504  -2.150
  951   HG12  ILE 127          HG12      ILE 127  10.792   5.652  -0.573
  952   HG13  ILE 127          HG13      ILE 127  11.884   4.342  -1.057
  953   HG21  ILE 127          HG21      ILE 127  11.778   8.125  -3.058
  954   HG22  ILE 127          HG22      ILE 127  10.317   7.310  -2.477
  955   HG23  ILE 127          HG23      ILE 127  11.445   8.059  -1.322
  956   HD11  ILE 127          HD11      ILE 127  12.324   5.647   1.184
  957   HD12  ILE 127          HD12      ILE 127  13.619   5.080   0.125
  958   HD13  ILE 127          HD13      ILE 127  13.195   6.798   0.102
  959    H    ALA 128           H        ALA 128  13.479   6.621  -4.942
  960    HA   ALA 128           HA       ALA 128  11.468   7.859  -6.460
  961    HB1  ALA 128           HB1      ALA 128  14.331   7.299  -7.334
  962    HB2  ALA 128           HB2      ALA 128  13.254   8.557  -7.961
  963    HB3  ALA 128           HB3      ALA 128  13.840   8.649  -6.285
  964    H    LYS 129           H        LYS 129  13.000   4.654  -6.917
  965    HA   LYS 129           HA       LYS 129  11.787   4.229  -9.473
  966    HB2  LYS 129           HB2      LYS 129  12.686   2.171  -7.426
  967    HB3  LYS 129           HB3      LYS 129  12.310   1.858  -9.115
  968    HG2  LYS 129           HG2      LYS 129  14.204   3.144  -9.886
  969    HG3  LYS 129           HG3      LYS 129  14.533   3.748  -8.252
  970    HD2  LYS 129           HD2      LYS 129  14.893   1.424  -7.466
  971    HD3  LYS 129           HD3      LYS 129  14.734   0.865  -9.160
  972    HE2  LYS 129           HE2      LYS 129  16.570   2.589  -9.714
  973    HE3  LYS 129           HE3      LYS 129  16.811   2.748  -7.965
  974    HZ1  LYS 129           HZ1      LYS 129  17.177   0.259  -9.567
  975    HZ2  LYS 129           HZ2      LYS 129  18.370   1.162  -8.904
  976    HZ3  LYS 129           HZ3      LYS 129  17.352   0.321  -7.932
  977    H    ILE 130           H        ILE 130  10.779   3.382  -6.092
  978    HA   ILE 130           HA       ILE 130   8.404   2.174  -7.233
  979    HB   ILE 130           HB       ILE 130   8.157   1.210  -5.025
  980   HG12  ILE 130          HG12      ILE 130  10.665   2.505  -4.165
  981   HG13  ILE 130          HG13      ILE 130   9.071   2.581  -3.448
  982   HG21  ILE 130          HG21      ILE 130   9.362   0.228  -7.045
  983   HG22  ILE 130          HG22      ILE 130  10.885   0.603  -6.197
  984   HG23  ILE 130          HG23      ILE 130   9.683  -0.530  -5.512
  985   HD11  ILE 130          HD11      ILE 130  10.919   0.180  -3.588
  986   HD12  ILE 130          HD12      ILE 130  10.393   1.055  -2.150
  987   HD13  ILE 130          HD13      ILE 130   9.210   0.064  -3.061
  988    H    SER 131           H        SER 131   8.921   4.792  -4.851
  989    HA   SER 131           HA       SER 131   6.444   4.616  -3.616
  990    HB2  SER 131           HB2      SER 131   8.288   6.968  -4.038
  991    HB3  SER 131           HB3      SER 131   6.849   7.000  -2.997
  992    HG   SER 131           HG       SER 131   8.573   6.293  -1.709
  Start of MODEL   14
    1    H    MET   1           H        MET   1   1.414  -2.294   2.194
    2    HA   MET   1           HA       MET   1   1.099  -1.083  -0.471
    3    HB2  MET   1           HB2      MET   1   1.308   0.350   1.781
    4    HB3  MET   1           HB3      MET   1   3.017  -0.027   1.640
    5    HG2  MET   1           HG2      MET   1   2.448   2.140   0.669
    6    HG3  MET   1           HG3      MET   1   3.052   1.064  -0.585
    7    HE1  MET   1           HE1      MET   1   0.485   3.393  -2.470
    8    HE2  MET   1           HE2      MET   1   1.485   3.868  -1.086
    9    HE3  MET   1           HE3      MET   1   2.175   2.847  -2.376
   10    H    LYS   2           H        LYS   2   3.629  -0.718  -1.418
   11    HA   LYS   2           HA       LYS   2   4.501  -3.396  -1.909
   12    HB2  LYS   2           HB2      LYS   2   6.283  -0.950  -2.350
   13    HB3  LYS   2           HB3      LYS   2   6.388  -2.522  -3.104
   14    HG2  LYS   2           HG2      LYS   2   5.381  -1.409  -4.805
   15    HG3  LYS   2           HG3      LYS   2   3.966  -2.013  -3.956
   16    HD2  LYS   2           HD2      LYS   2   3.304   0.206  -4.187
   17    HD3  LYS   2           HD3      LYS   2   4.160   0.358  -2.667
   18    HE2  LYS   2           HE2      LYS   2   5.213   2.086  -3.630
   19    HE3  LYS   2           HE3      LYS   2   6.264   0.845  -4.331
   20    HZ1  LYS   2           HZ1      LYS   2   3.867   2.059  -5.649
   21    HZ2  LYS   2           HZ2      LYS   2   5.424   2.327  -6.062
   22    HZ3  LYS   2           HZ3      LYS   2   4.752   0.851  -6.315
   23    H    LYS   3           H        LYS   3   5.812  -4.738  -0.679
   24    HA   LYS   3           HA       LYS   3   6.750  -3.533   1.865
   25    HB2  LYS   3           HB2      LYS   3   6.594  -6.471   1.218
   26    HB3  LYS   3           HB3      LYS   3   6.704  -5.695   2.796
   27    HG2  LYS   3           HG2      LYS   3   4.411  -4.799   2.471
   28    HG3  LYS   3           HG3      LYS   3   4.357  -5.558   0.863
   29    HD2  LYS   3           HD2      LYS   3   3.089  -6.790   2.603
   30    HD3  LYS   3           HD3      LYS   3   4.271  -7.725   1.701
   31    HE2  LYS   3           HE2      LYS   3   5.846  -7.679   3.581
   32    HE3  LYS   3           HE3      LYS   3   4.798  -6.563   4.479
   33    HZ1  LYS   3           HZ1      LYS   3   4.511  -8.815   5.264
   34    HZ2  LYS   3           HZ2      LYS   3   3.118  -8.356   4.546
   35    HZ3  LYS   3           HZ3      LYS   3   4.148  -9.387   3.780
   36    H    VAL   4           H        VAL   4   8.797  -3.332   2.407
   37    HA   VAL   4           HA       VAL   4  10.793  -4.253   0.448
   38    HB   VAL   4           HB       VAL   4  11.007  -1.788   2.149
   39   HG11  VAL   4          HG11      VAL   4  13.179  -2.423   1.519
   40   HG12  VAL   4          HG12      VAL   4  12.687  -2.921  -0.073
   41   HG13  VAL   4          HG13      VAL   4  12.740  -1.182   0.346
   42   HG21  VAL   4          HG21      VAL   4  10.584  -0.532  -0.071
   43   HG22  VAL   4          HG22      VAL   4   9.945  -2.063  -0.695
   44   HG23  VAL   4          HG23      VAL   4   9.176  -1.292   0.688
   45    H    MET   5           H        MET   5  12.955  -4.788   1.335
   46    HA   MET   5           HA       MET   5  13.024  -5.301   4.256
   47    HB2  MET   5           HB2      MET   5  12.276  -7.340   2.972
   48    HB3  MET   5           HB3      MET   5  13.767  -7.187   2.024
   49    HG2  MET   5           HG2      MET   5  14.068  -8.904   3.695
   50    HG3  MET   5           HG3      MET   5  15.134  -7.537   4.001
   51    HE1  MET   5           HE1      MET   5  11.543  -8.924   6.525
   52    HE2  MET   5           HE2      MET   5  11.301  -8.325   4.872
   53    HE3  MET   5           HE3      MET   5  12.285  -9.777   5.152
   54    H    PHE   6           H        PHE   6  15.090  -5.049   5.059
   55    HA   PHE   6           HA       PHE   6  17.346  -4.574   3.174
   56    HB2  PHE   6           HB2      PHE   6  16.654  -3.104   5.735
   57    HB3  PHE   6           HB3      PHE   6  18.185  -2.931   4.851
   58    HD1  PHE   6           HD1      PHE   6  18.222  -1.914   2.564
   59    HD2  PHE   6           HD2      PHE   6  14.609  -2.139   4.905
   60    HE1  PHE   6           HE1      PHE   6  17.081  -0.415   0.963
   61    HE2  PHE   6           HE2      PHE   6  13.465  -0.719   3.256
   62    HZ   PHE   6           HZ       PHE   6  14.708   0.232   1.319
   63    H    VAL   7           H        VAL   7  18.955  -6.101   3.600
   64    HA   VAL   7           HA       VAL   7  18.622  -7.725   6.096
   65    HB   VAL   7           HB       VAL   7  19.697  -8.630   3.411
   66   HG11  VAL   7          HG11      VAL   7  18.688 -10.201   5.800
   67   HG12  VAL   7          HG12      VAL   7  19.199 -10.882   4.240
   68   HG13  VAL   7          HG13      VAL   7  20.371 -10.054   5.269
   69   HG21  VAL   7          HG21      VAL   7  17.521  -9.716   2.989
   70   HG22  VAL   7          HG22      VAL   7  16.836  -8.946   4.427
   71   HG23  VAL   7          HG23      VAL   7  17.322  -7.967   3.023
   72    H    CYS   8           H        CYS   8  20.287  -7.882   7.457
   73    HA   CYS   8           HA       CYS   8  22.951  -6.839   6.576
   74    HB2  CYS   8           HB2      CYS   8  21.346  -5.714   8.452
   75    HB3  CYS   8           HB3      CYS   8  22.069  -6.946   9.483
   76    HG   CYS   8           HG       CYS   8  23.516  -4.664   7.561
   77    H    LYS   9           H        LYS   9  24.837  -7.753   7.605
   78    HA   LYS   9           HA       LYS   9  24.545 -10.294   9.096
   79    HB2  LYS   9           HB2      LYS   9  24.825 -10.658   6.540
   80    HB3  LYS   9           HB3      LYS   9  26.482 -10.085   6.749
   81    HG2  LYS   9           HG2      LYS   9  26.859 -11.934   8.416
   82    HG3  LYS   9           HG3      LYS   9  25.184 -12.463   8.169
   83    HD2  LYS   9           HD2      LYS   9  25.663 -12.829   5.754
   84    HD3  LYS   9           HD3      LYS   9  27.348 -12.373   6.010
   85    HE2  LYS   9           HE2      LYS   9  25.921 -14.712   7.383
   86    HE3  LYS   9           HE3      LYS   9  26.910 -14.858   5.931
   87    HZ1  LYS   9           HZ1      LYS   9  27.919 -13.997   8.587
   88    HZ2  LYS   9           HZ2      LYS   9  28.189 -15.429   7.864
   89    HZ3  LYS   9           HZ3      LYS   9  28.825 -14.073   7.218
   90    H    ARG  10           H        ARG  10  25.060  -7.675  10.050
   91    HA   ARG  10           HA       ARG  10  27.794  -7.884  11.111
   92    HB2  ARG  10           HB2      ARG  10  26.823  -5.750   9.182
   93    HB3  ARG  10           HB3      ARG  10  27.722  -5.153  10.558
   94    HG2  ARG  10           HG2      ARG  10  28.763  -7.290   8.662
   95    HG3  ARG  10           HG3      ARG  10  29.124  -5.560   8.589
   96    HD2  ARG  10           HD2      ARG  10  30.088  -5.670  10.911
   97    HD3  ARG  10           HD3      ARG  10  29.855  -7.422  10.911
   98    HE   ARG  10           HE       ARG  10  31.689  -5.803   9.263
   99   HH11  ARG  10          HH21      ARG  10  30.607  -9.156   9.959
  100   HH12  ARG  10          HH22      ARG  10  32.014  -9.867   9.250
  101   HH21  ARG  10          HH11      ARG  10  33.372  -6.687   8.308
  102   HH22  ARG  10          HH12      ARG  10  33.683  -8.417   8.260
  103    H    ASN  11           H        ASN  11  28.116  -6.260  12.825
  104    HA   ASN  11           HA       ASN  11  26.266  -6.230  14.905
  105    HB2  ASN  11           HB2      ASN  11  28.638  -5.621  15.133
  106    HB3  ASN  11           HB3      ASN  11  28.408  -4.187  14.128
  107   HD21  ASN  11          HD22      ASN  11  27.213  -2.340  15.048
  108   HD22  ASN  11          HD21      ASN  11  26.995  -2.238  16.788
  109    H    SER  12           H        SER  12  24.322  -5.238  15.149
  110    HA   SER  12           HA       SER  12  22.780  -4.374  13.164
  111    HB2  SER  12           HB2      SER  12  22.609  -3.460  16.052
  112    HB3  SER  12           HB3      SER  12  21.273  -3.600  14.903
  113    HG   SER  12           HG       SER  12  21.562  -5.415  16.359
  114    H    CYS  13           H        CYS  13  23.480  -2.826  11.652
  115    HA   CYS  13           HA       CYS  13  23.020  -0.069  12.463
  116    HB2  CYS  13           HB2      CYS  13  25.338  -0.266  13.187
  117    HB3  CYS  13           HB3      CYS  13  25.844  -0.904  11.621
  118    HG   CYS  13           HG       CYS  13  26.647   1.604  11.944
  119    H    ARG  14           H        ARG  14  24.995  -1.174   9.654
  120    HA   ARG  14           HA       ARG  14  23.845   0.671   8.014
  121    HB2  ARG  14           HB2      ARG  14  24.854  -0.378   6.103
  122    HB3  ARG  14           HB3      ARG  14  25.912  -0.331   7.494
  123    HG2  ARG  14           HG2      ARG  14  25.524  -2.771   7.881
  124    HG3  ARG  14           HG3      ARG  14  24.520  -2.802   6.426
  125    HD2  ARG  14           HD2      ARG  14  26.572  -1.871   5.153
  126    HD3  ARG  14           HD3      ARG  14  27.526  -2.179   6.598
  127    HE   ARG  14           HE       ARG  14  25.998  -4.527   5.807
  128   HH11  ARG  14          HH11      ARG  14  28.897  -2.675   4.909
  129   HH12  ARG  14          HH12      ARG  14  29.727  -4.033   4.260
  130   HH21  ARG  14          HH21      ARG  14  27.013  -6.261   4.626
  131   HH22  ARG  14          HH22      ARG  14  28.698  -6.158   4.276
  132    H    SER  15           H        SER  15  22.511  -2.702   7.915
  133    HA   SER  15           HA       SER  15  20.564  -1.683   6.050
  134    HB2  SER  15           HB2      SER  15  20.122  -4.320   7.291
  135    HB3  SER  15           HB3      SER  15  20.133  -3.786   5.593
  136    HG   SER  15           HG       SER  15  21.985  -4.980   5.814
  137    H    GLN  16           H        GLN  16  20.548  -2.098   9.568
  138    HA   GLN  16           HA       GLN  16  17.679  -1.792   9.922
  139    HB2  GLN  16           HB2      GLN  16  19.073  -2.747  11.637
  140    HB3  GLN  16           HB3      GLN  16  20.112  -1.315  11.674
  141    HG2  GLN  16           HG2      GLN  16  17.896  -0.072  12.453
  142    HG3  GLN  16           HG3      GLN  16  17.355  -1.702  12.869
  143   HE21  GLN  16          HE22      GLN  16  17.711   0.362  14.906
  144   HE22  GLN  16          HE21      GLN  16  19.193   0.050  15.749
  145    H    MET  17           H        MET  17  20.468   0.501   9.752
  146    HA   MET  17           HA       MET  17  18.925   2.897   9.965
  147    HB2  MET  17           HB2      MET  17  21.398   2.884  10.110
  148    HB3  MET  17           HB3      MET  17  21.467   2.270   8.433
  149    HG2  MET  17           HG2      MET  17  21.994   4.598   8.438
  150    HG3  MET  17           HG3      MET  17  20.536   4.335   7.531
  151    HE1  MET  17           HE1      MET  17  17.977   4.731   9.708
  152    HE2  MET  17           HE2      MET  17  18.006   6.494  10.023
  153    HE3  MET  17           HE3      MET  17  18.061   5.902   8.358
  154    H    ALA  18           H        ALA  18  19.829   0.857   7.153
  155    HA   ALA  18           HA       ALA  18  18.738   2.575   5.239
  156    HB1  ALA  18           HB1      ALA  18  18.718  -0.466   5.085
  157    HB2  ALA  18           HB2      ALA  18  18.876   0.681   3.740
  158    HB3  ALA  18           HB3      ALA  18  20.199   0.514   4.939
  159    H    GLU  19           H        GLU  19  17.061   0.065   7.202
  160    HA   GLU  19           HA       GLU  19  14.519   0.613   6.042
  161    HB2  GLU  19           HB2      GLU  19  15.190  -1.312   7.663
  162    HB3  GLU  19           HB3      GLU  19  14.811  -0.146   8.952
  163    HG2  GLU  19           HG2      GLU  19  12.622   0.210   7.376
  164    HG3  GLU  19           HG3      GLU  19  13.039  -1.422   6.885
  165    H    GLY  20           H        GLY  20  16.312   2.288   8.747
  166    HA2  GLY  20           HA2      GLY  20  14.069   3.800   9.654
  167    HA3  GLY  20           HA3      GLY  20  15.784   4.209   9.866
  168    H    PHE  21           H        PHE  21  16.650   4.520   7.223
  169    HA   PHE  21           HA       PHE  21  15.537   7.109   6.480
  170    HB2  PHE  21           HB2      PHE  21  17.469   5.190   5.141
  171    HB3  PHE  21           HB3      PHE  21  16.852   6.611   4.306
  172    HD1  PHE  21           HD2      PHE  21  16.948   8.886   5.864
  173    HD2  PHE  21           HD1      PHE  21  19.693   5.546   5.947
  174    HE1  PHE  21           HE2      PHE  21  18.739  10.352   6.722
  175    HE2  PHE  21           HE1      PHE  21  21.437   6.998   6.752
  176    HZ   PHE  21           HZ       PHE  21  20.989   9.437   7.187
  177    H    ALA  22           H        ALA  22  15.064   3.722   5.250
  178    HA   ALA  22           HA       ALA  22  13.495   4.626   3.036
  179    HB1  ALA  22           HB1      ALA  22  14.661   2.503   2.980
  180    HB2  ALA  22           HB2      ALA  22  13.737   1.912   4.362
  181    HB3  ALA  22           HB3      ALA  22  12.916   2.210   2.803
  182    H    LYS  23           H        LYS  23  12.449   3.642   6.353
  183    HA   LYS  23           HA       LYS  23   9.680   4.001   5.614
  184    HB2  LYS  23           HB2      LYS  23   9.144   3.360   7.798
  185    HB3  LYS  23           HB3      LYS  23  10.560   2.408   7.335
  186    HG2  LYS  23           HG2      LYS  23  11.936   4.245   8.587
  187    HG3  LYS  23           HG3      LYS  23  10.401   4.728   9.304
  188    HD2  LYS  23           HD2      LYS  23  11.705   1.978   9.433
  189    HD3  LYS  23           HD3      LYS  23  11.684   3.158  10.743
  190    HE2  LYS  23           HE2      LYS  23   9.320   2.934  11.085
  191    HE3  LYS  23           HE3      LYS  23   9.090   2.075   9.556
  192    HZ1  LYS  23           HZ1      LYS  23   9.078   0.550  11.450
  193    HZ2  LYS  23           HZ2      LYS  23  10.333   0.215  10.424
  194    HZ3  LYS  23           HZ3      LYS  23  10.637   0.965  11.832
  195    H    THR  24           H        THR  24  12.153   6.164   6.506
  196    HA   THR  24           HA       THR  24  10.457   8.385   7.348
  197    HB   THR  24           HB       THR  24  13.353   7.767   6.764
  198    HG1  THR  24           HG1      THR  24  12.884   7.392   8.778
  199   HG21  THR  24          HG21      THR  24  14.128   9.976   7.188
  200   HG22  THR  24          HG22      THR  24  13.221   9.875   5.676
  201   HG23  THR  24          HG23      THR  24  12.452  10.614   7.114
  202    H    LEU  25           H        LEU  25  12.352   7.468   4.459
  203    HA   LEU  25           HA       LEU  25  11.459   9.748   2.960
  204    HB2  LEU  25           HB2      LEU  25  13.271   7.409   2.428
  205    HB3  LEU  25           HB3      LEU  25  12.939   8.630   1.191
  206    HG   LEU  25           HG       LEU  25  14.215   9.132   3.888
  207   HD11  LEU  25          HD11      LEU  25  16.295   9.476   2.552
  208   HD12  LEU  25          HD12      LEU  25  15.692   7.828   2.411
  209   HD13  LEU  25          HD13      LEU  25  15.401   8.996   1.090
  210   HD21  LEU  25          HD21      LEU  25  13.070  11.170   3.112
  211   HD22  LEU  25          HD22      LEU  25  14.811  11.364   2.930
  212   HD23  LEU  25          HD23      LEU  25  13.817  10.997   1.503
  213    H    GLY  26           H        GLY  26  10.666   6.317   3.055
  214    HA2  GLY  26           HA2      GLY  26   9.085   6.330   0.558
  215    HA3  GLY  26           HA3      GLY  26   9.587   4.953   1.575
  216    H    ALA  27           H        ALA  27   8.355   7.574   3.393
  217    HA   ALA  27           HA       ALA  27   6.425   5.949   4.641
  218    HB1  ALA  27           HB1      ALA  27   5.885   8.006   5.890
  219    HB2  ALA  27           HB2      ALA  27   7.646   7.879   5.694
  220    HB3  ALA  27           HB3      ALA  27   6.723   8.996   4.674
  221    H    GLY  28           H        GLY  28   4.440   5.386   4.004
  222    HA2  GLY  28           HA2      GLY  28   2.311   5.583   3.154
  223    HA3  GLY  28           HA3      GLY  28   2.642   7.279   2.725
  224    H    LYS  29           H        LYS  29   5.034   5.189   1.437
  225    HA   LYS  29           HA       LYS  29   3.675   5.033  -1.178
  226    HB2  LYS  29           HB2      LYS  29   6.544   5.648  -0.461
  227    HB3  LYS  29           HB3      LYS  29   5.961   5.388  -2.109
  228    HG2  LYS  29           HG2      LYS  29   4.922   7.544  -0.234
  229    HG3  LYS  29           HG3      LYS  29   6.226   7.812  -1.389
  230    HD2  LYS  29           HD2      LYS  29   4.672   7.187  -3.253
  231    HD3  LYS  29           HD3      LYS  29   3.345   7.045  -2.098
  232    HE2  LYS  29           HE2      LYS  29   4.975   9.584  -2.596
  233    HE3  LYS  29           HE3      LYS  29   3.425   9.218  -3.358
  234    HZ1  LYS  29           HZ1      LYS  29   3.092  10.631  -1.461
  235    HZ2  LYS  29           HZ2      LYS  29   2.407   9.185  -1.139
  236    HZ3  LYS  29           HZ3      LYS  29   3.837   9.608  -0.440
  237    H    ILE  30           H        ILE  30   5.747   3.573   1.291
  238    HA   ILE  30           HA       ILE  30   5.373   0.892   0.096
  239    HB   ILE  30           HB       ILE  30   7.765   0.417   0.578
  240   HG12  ILE  30          HG12      ILE  30   8.340   3.378   0.592
  241   HG13  ILE  30          HG13      ILE  30   8.007   2.556   2.113
  242   HG21  ILE  30          HG21      ILE  30   6.860   1.028  -1.698
  243   HG22  ILE  30          HG22      ILE  30   7.530   2.654  -1.475
  244   HG23  ILE  30          HG23      ILE  30   8.607   1.243  -1.468
  245   HD11  ILE  30          HD11      ILE  30  10.389   2.655   1.799
  246   HD12  ILE  30          HD12      ILE  30   9.863   0.975   1.682
  247   HD13  ILE  30          HD13      ILE  30  10.279   1.899   0.199
  248    H    ALA  31           H        ALA  31   6.269  -0.735   1.701
  249    HA   ALA  31           HA       ALA  31   5.882   0.054   4.565
  250    HB1  ALA  31           HB1      ALA  31   3.993  -1.431   3.837
  251    HB2  ALA  31           HB2      ALA  31   5.178  -2.601   3.192
  252    HB3  ALA  31           HB3      ALA  31   5.093  -2.291   4.936
  253    H    VAL  32           H        VAL  32   7.638  -0.718   5.834
  254    HA   VAL  32           HA       VAL  32   9.868  -1.843   4.271
  255    HB   VAL  32           HB       VAL  32  10.214   0.250   6.376
  256   HG11  VAL  32          HG11      VAL  32  12.068  -0.861   4.980
  257   HG12  VAL  32          HG12      VAL  32  11.458   0.143   3.631
  258   HG13  VAL  32          HG13      VAL  32  12.053   0.904   5.136
  259   HG21  VAL  32          HG21      VAL  32   8.516   1.499   5.288
  260   HG22  VAL  32          HG22      VAL  32  10.019   2.082   4.560
  261   HG23  VAL  32          HG23      VAL  32   9.020   0.948   3.680
  262    H    THR  33           H        THR  33  11.447  -3.107   5.389
  263    HA   THR  33           HA       THR  33  10.978  -3.886   8.203
  264    HB   THR  33           HB       THR  33  11.390  -6.048   6.243
  265    HG1  THR  33           HG1      THR  33   9.775  -5.094   5.137
  266   HG21  THR  33          HG21      THR  33   9.594  -5.802   8.683
  267   HG22  THR  33          HG22      THR  33   9.835  -7.280   7.725
  268   HG23  THR  33          HG23      THR  33  11.192  -6.590   8.625
  269    H    SER  34           H        SER  34  12.878  -5.129   9.092
  270    HA   SER  34           HA       SER  34  15.422  -4.889   7.545
  271    HB2  SER  34           HB2      SER  34  16.445  -4.368   9.822
  272    HB3  SER  34           HB3      SER  34  15.621  -3.079   8.936
  273    HG   SER  34           HG       SER  34  13.866  -3.253  10.222
  274    H    CYS  35           H        CYS  35  17.018  -6.492   8.103
  275    HA   CYS  35           HA       CYS  35  16.126  -8.793   9.731
  276    HB2  CYS  35           HB2      CYS  35  15.284  -9.162   7.445
  277    HB3  CYS  35           HB3      CYS  35  16.851  -8.750   6.756
  278    HG   CYS  35           HG       CYS  35  16.139 -11.219   8.845
  279    H    GLY  36           H        GLY  36  17.950 -10.038  10.448
  280    HA2  GLY  36           HA2      GLY  36  20.382 -10.476  10.378
  281    HA3  GLY  36           HA3      GLY  36  20.645  -8.761  10.037
  282    H    LEU  37           H        LEU  37  21.016  -7.425  11.859
  283    HA   LEU  37           HA       LEU  37  20.876  -6.554  13.843
  284    HB2  LEU  37           HB2      LEU  37  18.382  -6.981  13.389
  285    HB3  LEU  37           HB3      LEU  37  18.505  -8.278  14.589
  286    HG   LEU  37           HG       LEU  37  19.586  -6.379  16.066
  287   HD11  LEU  37          HD11      LEU  37  18.824  -4.122  15.595
  288   HD12  LEU  37          HD12      LEU  37  19.588  -4.717  14.114
  289   HD13  LEU  37          HD13      LEU  37  17.829  -4.678  14.235
  290   HD21  LEU  37          HD21      LEU  37  16.592  -6.469  15.463
  291   HD22  LEU  37          HD22      LEU  37  17.460  -7.412  16.688
  292   HD23  LEU  37          HD23      LEU  37  17.287  -5.648  16.847
  293    H    GLU  38           H        GLU  38  22.786  -8.171  13.413
  294    HA   GLU  38           HA       GLU  38  23.004 -10.639  14.720
  295    HB2  GLU  38           HB2      GLU  38  25.109  -8.570  14.033
  296    HB3  GLU  38           HB3      GLU  38  25.489 -10.195  14.567
  297    HG2  GLU  38           HG2      GLU  38  23.848  -9.583  12.078
  298    HG3  GLU  38           HG3      GLU  38  25.576  -9.926  12.081
  299    H    SER  39           H        SER  39  23.157  -7.392  15.977
  300    HA   SER  39           HA       SER  39  24.612  -8.156  18.400
  301    HB2  SER  39           HB2      SER  39  23.093  -5.582  17.848
  302    HB3  SER  39           HB3      SER  39  24.406  -5.818  19.006
  303    HG   SER  39           HG       SER  39  25.836  -5.770  17.421
  304    H    SER  40           H        SER  40  22.009  -9.361  17.668
  305    HA   SER  40           HA       SER  40  20.086 -10.143  18.428
  306    HB2  SER  40           HB2      SER  40  21.175  -9.548  21.197
  307    HB3  SER  40           HB3      SER  40  19.888 -10.695  20.786
  308    HG   SER  40           HG       SER  40  21.928 -11.739  21.012
  309    H    ARG  41           H        ARG  41  20.713  -6.859  19.016
  310    HA   ARG  41           HA       ARG  41  17.923  -6.141  18.871
  311    HB2  ARG  41           HB2      ARG  41  17.982  -4.706  20.936
  312    HB3  ARG  41           HB3      ARG  41  17.988  -6.415  21.297
  313    HG2  ARG  41           HG2      ARG  41  20.675  -5.054  21.118
  314    HG3  ARG  41           HG3      ARG  41  19.647  -4.632  22.485
  315    HD2  ARG  41           HD2      ARG  41  19.703  -6.780  23.409
  316    HD3  ARG  41           HD3      ARG  41  20.052  -7.549  21.873
  317    HE   ARG  41           HE       ARG  41  22.285  -6.985  21.948
  318   HH11  ARG  41          HH11      ARG  41  20.658  -5.828  24.898
  319   HH12  ARG  41          HH12      ARG  41  22.117  -5.634  25.801
  320   HH21  ARG  41          HH21      ARG  41  24.230  -6.740  23.155
  321   HH22  ARG  41          HH22      ARG  41  24.192  -6.161  24.783
  322    H    VAL  42           H        VAL  42  18.159  -3.442  19.296
  323    HA   VAL  42           HA       VAL  42  19.845  -2.459  17.179
  324    HB   VAL  42           HB       VAL  42  18.959  -0.325  17.847
  325   HG11  VAL  42          HG11      VAL  42  16.584  -0.639  17.659
  326   HG12  VAL  42          HG12      VAL  42  17.363  -1.908  16.702
  327   HG13  VAL  42          HG13      VAL  42  16.666  -2.284  18.287
  328   HG21  VAL  42          HG21      VAL  42  17.587   0.051  19.876
  329   HG22  VAL  42          HG22      VAL  42  17.948  -1.587  20.436
  330   HG23  VAL  42          HG23      VAL  42  19.249  -0.383  20.285
  331    H    HIS  43           H        HIS  43  21.235  -0.479  17.665
  332    HA   HIS  43           HA       HIS  43  23.192  -1.158  19.801
  333    HB2  HIS  43           HB2      HIS  43  23.707  -2.129  17.576
  334    HB3  HIS  43           HB3      HIS  43  23.695  -0.518  16.877
  335    HD1  HIS  43           HD1      HIS  43  26.108   0.464  16.686
  336    HD2  HIS  43           HD2      HIS  43  25.601  -2.305  19.823
  337    HE1  HIS  43           HE1      HIS  43  28.377   0.259  17.852
  338    HA   PRO  44           HA       PRO  44  21.957   3.053  20.501
  339    HB2  PRO  44           HB2      PRO  44  23.691   3.799  22.534
  340    HB3  PRO  44           HB3      PRO  44  22.263   2.739  22.745
  341    HG2  PRO  44           HG2      PRO  44  25.138   1.911  22.227
  342    HG3  PRO  44           HG3      PRO  44  24.045   1.329  23.539
  343    HD2  PRO  44           HD2      PRO  44  24.320  -0.128  21.320
  344    HD3  PRO  44           HD3      PRO  44  22.656   0.153  21.939
  345    H    THR  45           H        THR  45  25.449   2.422  19.782
  346    HA   THR  45           HA       THR  45  26.062   5.108  19.079
  347    HB   THR  45           HB       THR  45  27.137   2.581  17.757
  348    HG1  THR  45           HG1      THR  45  28.648   2.588  19.468
  349   HG21  THR  45          HG21      THR  45  29.226   3.949  17.558
  350   HG22  THR  45          HG22      THR  45  27.890   4.632  16.633
  351   HG23  THR  45          HG23      THR  45  28.336   5.361  18.189
  352    H    ALA  46           H        ALA  46  24.301   2.531  17.194
  353    HA   ALA  46           HA       ALA  46  24.331   4.145  14.783
  354    HB1  ALA  46           HB1      ALA  46  22.649   2.615  13.895
  355    HB2  ALA  46           HB2      ALA  46  23.895   1.670  14.721
  356    HB3  ALA  46           HB3      ALA  46  22.331   1.955  15.522
  357    H    ILE  47           H        ILE  47  22.116   3.787  17.558
  358    HA   ILE  47           HA       ILE  47  20.043   5.474  16.599
  359    HB   ILE  47           HB       ILE  47  20.967   4.748  19.334
  360   HG12  ILE  47          HG12      ILE  47  18.676   3.856  19.504
  361   HG13  ILE  47          HG13      ILE  47  18.400   4.278  17.801
  362   HG21  ILE  47          HG21      ILE  47  20.179   7.046  19.690
  363   HG22  ILE  47          HG22      ILE  47  18.705   6.699  18.753
  364   HG23  ILE  47          HG23      ILE  47  18.997   5.918  20.317
  365   HD11  ILE  47          HD11      ILE  47  20.357   2.252  18.937
  366   HD12  ILE  47          HD12      ILE  47  18.793   1.924  18.200
  367   HD13  ILE  47          HD13      ILE  47  20.106   2.579  17.187
  368    H    ALA  48           H        ALA  48  22.977   6.358  18.553
  369    HA   ALA  48           HA       ALA  48  22.436   9.117  18.625
  370    HB1  ALA  48           HB1      ALA  48  24.813   9.407  19.093
  371    HB2  ALA  48           HB2      ALA  48  24.148   8.035  20.014
  372    HB3  ALA  48           HB3      ALA  48  25.156   7.738  18.571
  373    H    MET  49           H        MET  49  24.152   7.197  16.174
  374    HA   MET  49           HA       MET  49  25.034   9.397  14.589
  375    HB2  MET  49           HB2      MET  49  24.485   6.486  13.878
  376    HB3  MET  49           HB3      MET  49  25.329   7.619  12.821
  377    HG2  MET  49           HG2      MET  49  26.255   7.083  15.656
  378    HG3  MET  49           HG3      MET  49  26.739   6.062  14.363
  379    HE1  MET  49           HE1      MET  49  27.801   8.257  16.664
  380    HE2  MET  49           HE2      MET  49  28.556   9.730  15.970
  381    HE3  MET  49           HE3      MET  49  26.787   9.567  16.030
  382    H    MET  50           H        MET  50  21.892   7.846  14.842
  383    HA   MET  50           HA       MET  50  21.051   9.136  12.310
  384    HB2  MET  50           HB2      MET  50  19.386   7.381  14.124
  385    HB3  MET  50           HB3      MET  50  19.089   7.834  12.444
  386    HG2  MET  50           HG2      MET  50  20.751   5.713  13.546
  387    HG3  MET  50           HG3      MET  50  19.873   5.797  12.062
  388    HE1  MET  50           HE1      MET  50  22.042   4.133  11.790
  389    HE2  MET  50           HE2      MET  50  23.593   4.719  11.125
  390    HE3  MET  50           HE3      MET  50  23.304   4.742  12.876
  391    H    GLU  51           H        GLU  51  20.718   9.400  15.822
  392    HA   GLU  51           HA       GLU  51  18.761  11.450  15.882
  393    HB2  GLU  51           HB2      GLU  51  19.549  10.056  17.816
  394    HB3  GLU  51           HB3      GLU  51  21.110  10.881  17.775
  395    HG2  GLU  51           HG2      GLU  51  20.007  13.032  18.288
  396    HG3  GLU  51           HG3      GLU  51  18.425  12.250  18.231
  397    H    GLU  52           H        GLU  52  22.234  11.455  15.274
  398    HA   GLU  52           HA       GLU  52  22.765  14.222  15.215
  399    HB2  GLU  52           HB2      GLU  52  23.913  11.796  13.825
  400    HB3  GLU  52           HB3      GLU  52  24.552  13.387  13.470
  401    HG2  GLU  52           HG2      GLU  52  24.391  12.503  16.356
  402    HG3  GLU  52           HG3      GLU  52  25.641  11.834  15.316
  403    H    VAL  53           H        VAL  53  20.720  12.368  13.055
  404    HA   VAL  53           HA       VAL  53  20.478  14.704  11.261
  405    HB   VAL  53           HB       VAL  53  20.023  13.010   9.464
  406   HG11  VAL  53          HG11      VAL  53  22.859  13.109  10.541
  407   HG12  VAL  53          HG12      VAL  53  22.380  12.732   8.868
  408   HG13  VAL  53          HG13      VAL  53  22.074  14.343   9.538
  409   HG21  VAL  53          HG21      VAL  53  20.993  10.793   9.549
  410   HG22  VAL  53          HG22      VAL  53  21.506  11.042  11.231
  411   HG23  VAL  53          HG23      VAL  53  19.771  10.954  10.808
  412    H    GLY  54           H        GLY  54  18.986  13.467  13.736
  413    HA2  GLY  54           HA2      GLY  54  16.836  13.651  14.454
  414    HA3  GLY  54           HA3      GLY  54  16.460  14.493  12.948
  415    H    ILE  55           H        ILE  55  17.574  11.073  13.353
  416    HA   ILE  55           HA       ILE  55  14.892  10.118  12.585
  417    HB   ILE  55           HB       ILE  55  17.477   8.937  11.560
  418   HG12  ILE  55          HG12      ILE  55  15.229  10.559  10.295
  419   HG13  ILE  55          HG13      ILE  55  16.959  10.956  10.379
  420   HG21  ILE  55          HG21      ILE  55  15.975   7.345  10.355
  421   HG22  ILE  55          HG22      ILE  55  15.848   7.146  12.071
  422   HG23  ILE  55          HG23      ILE  55  14.576   8.039  11.187
  423   HD11  ILE  55          HD11      ILE  55  16.536  10.218   8.174
  424   HD12  ILE  55          HD12      ILE  55  17.389   8.881   9.001
  425   HD13  ILE  55          HD13      ILE  55  15.622   8.809   8.754
  426    H    ASP  56           H        ASP  56  14.361   8.082  13.608
  427    HA   ASP  56           HA       ASP  56  15.974   7.387  16.038
  428    HB2  ASP  56           HB2      ASP  56  13.999   8.393  16.887
  429    HB3  ASP  56           HB3      ASP  56  12.976   7.616  15.666
  430    H    ILE  57           H        ILE  57  16.723   5.379  15.930
  431    HA   ILE  57           HA       ILE  57  15.090   3.268  14.632
  432    HB   ILE  57           HB       ILE  57  17.060   2.176  13.738
  433   HG12  ILE  57          HG12      ILE  57  18.642   4.712  14.333
  434   HG13  ILE  57          HG13      ILE  57  18.809   3.180  15.203
  435   HG21  ILE  57          HG21      ILE  57  17.182   3.409  11.724
  436   HG22  ILE  57          HG22      ILE  57  15.601   3.785  12.400
  437   HG23  ILE  57          HG23      ILE  57  16.924   4.965  12.557
  438   HD11  ILE  57          HD11      ILE  57  20.551   3.380  13.541
  439   HD12  ILE  57          HD12      ILE  57  19.472   2.050  13.089
  440   HD13  ILE  57          HD13      ILE  57  19.379   3.613  12.234
  441    H    SER  58           H        SER  58  15.689   4.285  17.516
  442    HA   SER  58           HA       SER  58  16.740   1.913  18.760
  443    HB2  SER  58           HB2      SER  58  15.109   3.580  20.490
  444    HB3  SER  58           HB3      SER  58  16.847   3.190  20.521
  445    HG   SER  58           HG       SER  58  15.591   5.274  18.997
  446    H    GLY  59           H        GLY  59  13.503   3.147  17.904
  447    HA2  GLY  59           HA2      GLY  59  12.056   1.095  19.344
  448    HA3  GLY  59           HA3      GLY  59  11.422   2.209  18.120
  449    H    GLN  60           H        GLN  60  14.041   0.765  16.654
  450    HA   GLN  60           HA       GLN  60  12.449  -0.829  14.891
  451    HB2  GLN  60           HB2      GLN  60  15.426  -0.372  15.331
  452    HB3  GLN  60           HB3      GLN  60  14.871  -1.564  14.167
  453    HG2  GLN  60           HG2      GLN  60  14.078   1.365  14.118
  454    HG3  GLN  60           HG3      GLN  60  15.413   0.644  13.196
  455   HE21  GLN  60          HE22      GLN  60  14.785  -1.316  11.759
  456   HE22  GLN  60          HE21      GLN  60  13.232  -1.256  10.984
  457    H    THR  61           H        THR  61  12.552  -3.002  14.556
  458    HA   THR  61           HA       THR  61  14.142  -4.720  16.202
  459    HB   THR  61           HB       THR  61  12.035  -6.279  16.465
  460    HG1  THR  61           HG1      THR  61  10.072  -5.225  16.606
  461   HG21  THR  61          HG21      THR  61  13.287  -5.161  18.343
  462   HG22  THR  61          HG22      THR  61  12.119  -3.822  18.255
  463   HG23  THR  61          HG23      THR  61  11.568  -5.459  18.670
  464    H    SER  62           H        SER  62  14.156  -6.957  15.225
  465    HA   SER  62           HA       SER  62  13.563  -7.117  12.351
  466    HB2  SER  62           HB2      SER  62  16.368  -7.196  13.463
  467    HB3  SER  62           HB3      SER  62  15.929  -7.230  11.756
  468    HG   SER  62           HG       SER  62  15.185  -5.006  12.046
  469    H    ASP  63           H        ASP  63  14.689  -9.331  11.582
  470    HA   ASP  63           HA       ASP  63  15.001 -11.349  13.682
  471    HB2  ASP  63           HB2      ASP  63  12.440 -10.740  13.006
  472    HB3  ASP  63           HB3      ASP  63  12.808 -11.799  11.675
  473    HA   PRO  64           HA       PRO  64  17.591 -12.833  10.514
  474    HB2  PRO  64           HB2      PRO  64  17.723 -15.549  10.643
  475    HB3  PRO  64           HB3      PRO  64  18.215 -14.492  12.001
  476    HG2  PRO  64           HG2      PRO  64  15.575 -15.926  11.607
  477    HG3  PRO  64           HG3      PRO  64  16.598 -15.870  13.078
  478    HD2  PRO  64           HD2      PRO  64  14.450 -14.240  12.652
  479    HD3  PRO  64           HD3      PRO  64  15.865 -13.700  13.613
  480    H    ILE  65           H        ILE  65  18.002 -14.135   8.471
  481    HA   ILE  65           HA       ILE  65  15.965 -13.389   6.662
  482    HB   ILE  65           HB       ILE  65  18.371 -13.327   6.187
  483   HG12  ILE  65          HG12      ILE  65  16.796 -15.025   4.203
  484   HG13  ILE  65          HG13      ILE  65  16.746 -13.272   4.372
  485   HG21  ILE  65          HG21      ILE  65  18.995 -15.542   7.279
  486   HG22  ILE  65          HG22      ILE  65  18.317 -16.359   5.857
  487   HG23  ILE  65          HG23      ILE  65  19.702 -15.276   5.690
  488   HD11  ILE  65          HD11      ILE  65  19.195 -13.184   3.750
  489   HD12  ILE  65          HD12      ILE  65  19.131 -14.934   3.454
  490   HD13  ILE  65          HD13      ILE  65  18.129 -13.837   2.494
  491    H    GLU  66           H        GLU  66  16.815 -16.476   8.087
  492    HA   GLU  66           HA       GLU  66  15.293 -18.060   6.317
  493    HB2  GLU  66           HB2      GLU  66  15.878 -19.869   7.845
  494    HB3  GLU  66           HB3      GLU  66  17.257 -18.774   7.612
  495    HG2  GLU  66           HG2      GLU  66  16.864 -17.715   9.768
  496    HG3  GLU  66           HG3      GLU  66  15.424 -18.703  10.046
  497    H    ASN  67           H        ASN  67  14.257 -16.131   9.002
  498    HA   ASN  67           HA       ASN  67  11.776 -17.553   9.393
  499    HB2  ASN  67           HB2      ASN  67  11.601 -16.278  11.213
  500    HB3  ASN  67           HB3      ASN  67  13.166 -15.556  10.835
  501   HD21  ASN  67          HD22      ASN  67  13.239 -13.572   9.618
  502   HD22  ASN  67          HD21      ASN  67  11.853 -12.516   9.524
  503    H    PHE  68           H        PHE  68  13.065 -15.329   7.029
  504    HA   PHE  68           HA       PHE  68  10.425 -14.169   6.485
  505    HB2  PHE  68           HB2      PHE  68  13.226 -13.312   5.698
  506    HB3  PHE  68           HB3      PHE  68  11.799 -12.586   5.009
  507    HD1  PHE  68           HD1      PHE  68   9.907 -12.061   7.064
  508    HD2  PHE  68           HD2      PHE  68  14.206 -11.930   7.327
  509    HE1  PHE  68           HE1      PHE  68   9.740 -10.415   8.897
  510    HE2  PHE  68           HE2      PHE  68  14.026 -10.225   9.136
  511    HZ   PHE  68           HZ       PHE  68  11.798  -9.478   9.928
  512    H    ASN  69           H        ASN  69  10.065 -13.648   4.137
  513    HA   ASN  69           HA       ASN  69  10.881 -15.659   2.185
  514    HB2  ASN  69           HB2      ASN  69   8.383 -16.012   1.633
  515    HB3  ASN  69           HB3      ASN  69   9.158 -16.986   2.865
  516   HD21  ASN  69          HD22      ASN  69   7.428 -13.787   2.775
  517   HD22  ASN  69          HD21      ASN  69   6.410 -14.150   4.167
  518    H    ALA  70           H        ALA  70  11.795 -14.109   0.941
  519    HA   ALA  70           HA       ALA  70  10.887 -11.540   0.355
  520    HB1  ALA  70           HB1      ALA  70  12.096 -11.852  -1.790
  521    HB2  ALA  70           HB2      ALA  70  13.022 -12.326  -0.359
  522    HB3  ALA  70           HB3      ALA  70  12.279 -13.579  -1.405
  523    H    ASP  71           H        ASP  71   9.578 -14.615  -0.689
  524    HA   ASP  71           HA       ASP  71   8.139 -13.929  -3.009
  525    HB2  ASP  71           HB2      ASP  71   8.274 -16.210  -2.153
  526    HB3  ASP  71           HB3      ASP  71   7.369 -15.747  -0.705
  527    H    ASP  72           H        ASP  72   7.731 -12.859   0.268
  528    HA   ASP  72           HA       ASP  72   5.149 -11.528  -0.403
  529    HB2  ASP  72           HB2      ASP  72   5.122 -13.290   1.418
  530    HB3  ASP  72           HB3      ASP  72   6.149 -12.197   2.359
  531    H    TYR  73           H        TYR  73   8.206 -10.540  -0.692
  532    HA   TYR  73           HA       TYR  73   7.400  -7.901   0.192
  533    HB2  TYR  73           HB2      TYR  73  10.236  -8.855   0.545
  534    HB3  TYR  73           HB3      TYR  73   9.584  -7.239   0.938
  535    HD1  TYR  73           HD1      TYR  73   9.407 -10.837   1.840
  536    HD2  TYR  73           HD2      TYR  73   8.691  -6.801   3.102
  537    HE1  TYR  73           HE1      TYR  73   8.808 -11.688   4.075
  538    HE2  TYR  73           HE2      TYR  73   8.122  -7.610   5.388
  539    HH   TYR  73           HH       TYR  73   7.812  -9.487   6.770
  540    H    ASP  74           H        ASP  74   7.261  -6.659  -1.535
  541    HA   ASP  74           HA       ASP  74   8.047  -7.808  -4.044
  542    HB2  ASP  74           HB2      ASP  74   6.087  -6.143  -3.446
  543    HB3  ASP  74           HB3      ASP  74   7.332  -4.908  -3.733
  544    H    VAL  75           H        VAL  75   9.974  -5.998  -1.868
  545    HA   VAL  75           HA       VAL  75  11.919  -5.289  -3.994
  546    HB   VAL  75           HB       VAL  75  10.507  -3.644  -2.012
  547   HG11  VAL  75          HG11      VAL  75  13.101  -3.091  -2.190
  548   HG12  VAL  75          HG12      VAL  75  12.523  -2.116  -3.532
  549   HG13  VAL  75          HG13      VAL  75  11.851  -1.835  -1.974
  550   HG21  VAL  75          HG21      VAL  75   9.206  -3.614  -3.949
  551   HG22  VAL  75          HG22      VAL  75   9.906  -2.039  -3.702
  552   HG23  VAL  75          HG23      VAL  75  10.574  -3.122  -4.949
  553    H    VAL  76           H        VAL  76  13.892  -6.322  -3.248
  554    HA   VAL  76           HA       VAL  76  14.216  -6.404  -0.294
  555    HB   VAL  76           HB       VAL  76  15.175  -8.694  -0.710
  556   HG11  VAL  76          HG11      VAL  76  12.166  -8.417  -1.159
  557   HG12  VAL  76          HG12      VAL  76  13.019  -9.820  -0.469
  558   HG13  VAL  76          HG13      VAL  76  12.966  -8.296   0.407
  559   HG21  VAL  76          HG21      VAL  76  15.195  -8.653  -3.227
  560   HG22  VAL  76          HG22      VAL  76  14.371 -10.050  -2.538
  561   HG23  VAL  76          HG23      VAL  76  13.435  -8.704  -3.212
  562    H    ILE  77           H        ILE  77  16.103  -5.777   0.383
  563    HA   ILE  77           HA       ILE  77  18.277  -5.285  -1.596
  564    HB   ILE  77           HB       ILE  77  17.255  -3.561   0.685
  565   HG12  ILE  77          HG12      ILE  77  15.815  -3.252  -1.261
  566   HG13  ILE  77          HG13      ILE  77  16.840  -1.853  -1.001
  567   HG21  ILE  77          HG21      ILE  77  19.676  -3.158  -1.120
  568   HG22  ILE  77          HG22      ILE  77  18.972  -1.943  -0.026
  569   HG23  ILE  77          HG23      ILE  77  19.666  -3.414   0.628
  570   HD11  ILE  77          HD11      ILE  77  18.347  -2.625  -2.848
  571   HD12  ILE  77          HD12      ILE  77  17.200  -3.939  -3.179
  572   HD13  ILE  77          HD13      ILE  77  16.710  -2.263  -3.400
  573    H    SER  78           H        SER  78  19.694  -6.891  -1.130
  574    HA   SER  78           HA       SER  78  20.136  -7.685   1.669
  575    HB2  SER  78           HB2      SER  78  21.707  -9.325   0.590
  576    HB3  SER  78           HB3      SER  78  20.008  -9.425   0.023
  577    HG   SER  78           HG       SER  78  22.307  -8.545  -1.220
  578    H    LEU  79           H        LEU  79  22.362  -7.416   2.627
  579    HA   LEU  79           HA       LEU  79  24.124  -5.515   1.226
  580    HB2  LEU  79           HB2      LEU  79  23.450  -5.163   4.184
  581    HB3  LEU  79           HB3      LEU  79  24.750  -4.395   3.270
  582    HG   LEU  79           HG       LEU  79  23.034  -3.285   1.835
  583   HD11  LEU  79          HD11      LEU  79  20.785  -2.869   3.065
  584   HD12  LEU  79          HD12      LEU  79  20.961  -4.356   2.158
  585   HD13  LEU  79          HD13      LEU  79  21.138  -4.410   3.892
  586   HD21  LEU  79          HD21      LEU  79  24.284  -2.159   3.663
  587   HD22  LEU  79          HD22      LEU  79  22.675  -1.471   3.404
  588   HD23  LEU  79          HD23      LEU  79  22.950  -2.561   4.784
  589    H    CYS  80           H        CYS  80  24.207  -8.113   1.016
  590    HA   CYS  80           HA       CYS  80  25.846  -9.329   3.166
  591    HB2  CYS  80           HB2      CYS  80  24.403 -10.522   0.742
  592    HB3  CYS  80           HB3      CYS  80  25.250 -11.441   2.007
  593    HG   CYS  80           HG       CYS  80  22.715 -11.679   2.466
  594    H    GLY  81           H        GLY  81  26.507  -7.369   0.638
  595    HA2  GLY  81           HA2      GLY  81  28.678  -6.799  -0.004
  596    HA3  GLY  81           HA3      GLY  81  29.286  -8.336   0.624
  597    H    CYS  82           H        CYS  82  26.576  -7.935  -1.615
  598    HA   CYS  82           HA       CYS  82  26.009  -9.336  -3.335
  599    HB2  CYS  82           HB2      CYS  82  27.022  -7.123  -4.113
  600    HB3  CYS  82           HB3      CYS  82  28.443  -8.059  -4.623
  601    HG   CYS  82           HG       CYS  82  27.145  -9.686  -6.191
  602    H    GLY  83           H        GLY  83  27.287 -10.993  -1.576
  603    HA2  GLY  83           HA2      GLY  83  28.806 -12.909  -3.277
  604    HA3  GLY  83           HA3      GLY  83  29.487 -12.316  -1.752
  605    H    VAL  84           H        VAL  84  26.126 -13.161  -2.641
  606    HA   VAL  84           HA       VAL  84  26.024 -15.291  -0.631
  607    HB   VAL  84           HB       VAL  84  25.372 -13.012   0.205
  608   HG11  VAL  84          HG11      VAL  84  24.310 -12.040  -1.745
  609   HG12  VAL  84          HG12      VAL  84  23.022 -13.259  -1.692
  610   HG13  VAL  84          HG13      VAL  84  23.168 -12.067  -0.397
  611   HG21  VAL  84          HG21      VAL  84  23.383 -13.701   1.443
  612   HG22  VAL  84          HG22      VAL  84  23.076 -15.014   0.302
  613   HG23  VAL  84          HG23      VAL  84  24.526 -15.044   1.334
  614    H    ASN  85           H        ASN  85  23.976 -16.619  -0.918
  615    HA   ASN  85           HA       ASN  85  23.041 -16.742  -3.754
  616    HB2  ASN  85           HB2      ASN  85  24.030 -19.020  -1.989
  617    HB3  ASN  85           HB3      ASN  85  23.071 -19.256  -3.444
  618   HD21  ASN  85          HD22      ASN  85  24.011 -18.693  -5.565
  619   HD22  ASN  85          HD21      ASN  85  25.744 -18.547  -5.727
  620    H    LEU  86           H        LEU  86  21.364 -15.385  -2.759
  621    HA   LEU  86           HA       LEU  86  19.698 -16.296  -0.607
  622    HB2  LEU  86           HB2      LEU  86  18.824 -14.531  -2.923
  623    HB3  LEU  86           HB3      LEU  86  18.104 -14.635  -1.317
  624    HG   LEU  86           HG       LEU  86  20.799 -13.424  -2.022
  625   HD11  LEU  86          HD11      LEU  86  18.820 -12.099  -2.703
  626   HD12  LEU  86          HD12      LEU  86  18.250 -12.102  -1.017
  627   HD13  LEU  86          HD13      LEU  86  19.782 -11.303  -1.444
  628   HD21  LEU  86          HD21      LEU  86  20.956 -12.663   0.303
  629   HD22  LEU  86          HD22      LEU  86  19.419 -13.467   0.695
  630   HD23  LEU  86          HD23      LEU  86  20.843 -14.429   0.276
  631    HA   PRO  87           HA       PRO  87  17.165 -19.382  -2.742
  632    HB2  PRO  87           HB2      PRO  87  14.844 -18.004  -1.426
  633    HB3  PRO  87           HB3      PRO  87  15.218 -19.745  -1.500
  634    HG2  PRO  87           HG2      PRO  87  15.704 -18.288   0.773
  635    HG3  PRO  87           HG3      PRO  87  16.845 -19.555   0.223
  636    HD2  PRO  87           HD2      PRO  87  17.088 -16.567  -0.060
  637    HD3  PRO  87           HD3      PRO  87  18.346 -17.788   0.270
  638    HA   PRO  88           HA       PRO  88  16.030 -17.187  -6.211
  639    HB2  PRO  88           HB2      PRO  88  14.083 -18.675  -7.549
  640    HB3  PRO  88           HB3      PRO  88  15.812 -19.109  -7.428
  641    HG2  PRO  88           HG2      PRO  88  13.528 -20.050  -5.676
  642    HG3  PRO  88           HG3      PRO  88  14.811 -21.039  -6.451
  643    HD2  PRO  88           HD2      PRO  88  14.996 -20.287  -3.857
  644    HD3  PRO  88           HD3      PRO  88  16.445 -20.274  -4.904
  645    H    GLU  89           H        GLU  89  13.372 -17.536  -3.967
  646    HA   GLU  89           HA       GLU  89  11.499 -15.891  -5.360
  647    HB2  GLU  89           HB2      GLU  89  10.533 -15.574  -3.081
  648    HB3  GLU  89           HB3      GLU  89  10.672 -17.253  -3.622
  649    HG2  GLU  89           HG2      GLU  89  12.682 -17.550  -2.212
  650    HG3  GLU  89           HG3      GLU  89  12.564 -15.875  -1.674
  651    H    TRP  90           H        TRP  90  14.429 -15.237  -3.558
  652    HA   TRP  90           HA       TRP  90  13.797 -12.489  -3.038
  653    HB2  TRP  90           HB2      TRP  90  16.400 -14.046  -3.052
  654    HB3  TRP  90           HB3      TRP  90  16.314 -12.344  -2.635
  655    HD1  TRP  90           HD1      TRP  90  15.064 -15.739  -1.301
  656    HE1  TRP  90           HE1      TRP  90  14.623 -15.563   1.218
  657    HE3  TRP  90           HE3      TRP  90  15.954 -10.774  -0.688
  658    HZ2  TRP  90           HZ2      TRP  90  14.513 -13.491   3.212
  659    HZ3  TRP  90           HZ3      TRP  90  15.604  -9.673   1.519
  660    HH2  TRP  90           HH2      TRP  90  14.884 -11.044   3.487
  661    H    VAL  91           H        VAL  91  14.553 -13.981  -6.084
  662    HA   VAL  91           HA       VAL  91  15.671 -11.413  -7.001
  663    HB   VAL  91           HB       VAL  91  16.743 -12.531  -8.764
  664   HG11  VAL  91          HG11      VAL  91  17.853 -12.415  -6.506
  665   HG12  VAL  91          HG12      VAL  91  17.334 -14.080  -6.202
  666   HG13  VAL  91          HG13      VAL  91  18.444 -13.730  -7.537
  667   HG21  VAL  91          HG21      VAL  91  15.887 -15.245  -7.740
  668   HG22  VAL  91          HG22      VAL  91  15.101 -14.438  -9.121
  669   HG23  VAL  91          HG23      VAL  91  16.821 -14.862  -9.181
  670    H    THR  92           H        THR  92  12.723 -13.112  -7.104
  671    HA   THR  92           HA       THR  92  12.044 -12.340  -9.831
  672    HB   THR  92           HB       THR  92   9.884 -13.522  -9.143
  673    HG1  THR  92           HG1      THR  92   9.855 -14.514  -7.161
  674   HG21  THR  92          HG21      THR  92  11.784 -14.678 -10.258
  675   HG22  THR  92          HG22      THR  92  12.520 -14.994  -8.677
  676   HG23  THR  92          HG23      THR  92  10.964 -15.747  -9.098
  677    H    GLN  93           H        GLN  93  11.893 -10.822  -6.816
  678    HA   GLN  93           HA       GLN  93   9.542  -9.351  -6.758
  679    HB2  GLN  93           HB2      GLN  93  12.391  -8.977  -5.744
  680    HB3  GLN  93           HB3      GLN  93  10.999  -8.079  -5.126
  681    HG2  GLN  93           HG2      GLN  93  11.864 -10.867  -4.674
  682    HG3  GLN  93           HG3      GLN  93  11.276  -9.685  -3.534
  683   HE21  GLN  93          HE22      GLN  93  10.581 -12.555  -4.809
  684   HE22  GLN  93          HE21      GLN  93   8.822 -12.552  -4.920
  685    H    GLU  94           H        GLU  94   9.669  -6.778  -6.702
  686    HA   GLU  94           HA       GLU  94  10.119  -5.967  -9.416
  687    HB2  GLU  94           HB2      GLU  94   8.147  -5.087  -8.547
  688    HB3  GLU  94           HB3      GLU  94   8.818  -4.910  -6.936
  689    HG2  GLU  94           HG2      GLU  94   8.413  -2.764  -7.822
  690    HG3  GLU  94           HG3      GLU  94  10.122  -3.033  -7.530
  691    H    ILE  95           H        ILE  95  11.477  -5.521  -6.132
  692    HA   ILE  95           HA       ILE  95  13.968  -4.546  -7.518
  693    HB   ILE  95           HB       ILE  95  12.660  -3.547  -5.035
  694   HG12  ILE  95          HG12      ILE  95  14.607  -2.238  -6.943
  695   HG13  ILE  95          HG13      ILE  95  12.822  -2.282  -7.251
  696   HG21  ILE  95          HG21      ILE  95  14.713  -2.699  -4.073
  697   HG22  ILE  95          HG22      ILE  95  14.727  -4.437  -4.052
  698   HG23  ILE  95          HG23      ILE  95  15.686  -3.572  -5.275
  699   HD11  ILE  95          HD11      ILE  95  14.253  -0.770  -5.059
  700   HD12  ILE  95          HD12      ILE  95  13.462  -0.124  -6.496
  701   HD13  ILE  95          HD13      ILE  95  12.485  -0.912  -5.262
  702    H    PHE  96           H        PHE  96  15.719  -5.632  -7.257
  703    HA   PHE  96           HA       PHE  96  16.225  -7.082  -4.844
  704    HB2  PHE  96           HB2      PHE  96  15.439  -9.030  -6.004
  705    HB3  PHE  96           HB3      PHE  96  16.364  -8.605  -7.457
  706    HD1  PHE  96           HD1      PHE  96  17.250  -8.618  -3.718
  707    HD2  PHE  96           HD2      PHE  96  18.372  -9.857  -7.711
  708    HE1  PHE  96           HE1      PHE  96  19.350  -9.323  -2.875
  709    HE2  PHE  96           HE2      PHE  96  20.532 -10.671  -6.798
  710    HZ   PHE  96           HZ       PHE  96  21.044 -10.422  -4.377
  711    H    GLU  97           H        GLU  97  18.077  -6.194  -4.303
  712    HA   GLU  97           HA       GLU  97  20.250  -5.902  -6.218
  713    HB2  GLU  97           HB2      GLU  97  19.052  -3.592  -4.638
  714    HB3  GLU  97           HB3      GLU  97  20.729  -3.584  -5.163
  715    HG2  GLU  97           HG2      GLU  97  20.104  -3.587  -7.462
  716    HG3  GLU  97           HG3      GLU  97  18.389  -3.831  -7.074
  717    H    ASP  98           H        ASP  98  22.181  -5.340  -4.908
  718    HA   ASP  98           HA       ASP  98  21.989  -6.051  -2.059
  719    HB2  ASP  98           HB2      ASP  98  22.914  -8.077  -3.070
  720    HB3  ASP  98           HB3      ASP  98  24.242  -7.125  -3.775
  721    H    TRP  99           H        TRP  99  22.819  -4.449  -0.906
  722    HA   TRP  99           HA       TRP  99  24.343  -2.290  -2.268
  723    HB2  TRP  99           HB2      TRP  99  22.434  -2.317   0.095
  724    HB3  TRP  99           HB3      TRP  99  23.493  -0.959  -0.237
  725    HD1  TRP  99           HD1      TRP  99  22.377  -2.207  -3.537
  726    HE1  TRP  99           HE1      TRP  99  20.336  -0.995  -4.409
  727    HE3  TRP  99           HE3      TRP  99  21.021   0.211   0.773
  728    HZ2  TRP  99           HZ2      TRP  99  18.048   0.374  -3.220
  729    HZ3  TRP  99           HZ3      TRP  99  18.807   1.378   0.878
  730    HH2  TRP  99           HH2      TRP  99  17.325   1.369  -1.067
  731    H    GLN 100           H        GLN 100  26.077  -3.650  -2.236
  732    HA   GLN 100           HA       GLN 100  27.479  -4.714  -0.073
  733    HB2  GLN 100           HB2      GLN 100  29.335  -4.829  -1.593
  734    HB3  GLN 100           HB3      GLN 100  27.836  -5.468  -2.258
  735    HG2  GLN 100           HG2      GLN 100  28.991  -2.727  -2.937
  736    HG3  GLN 100           HG3      GLN 100  29.313  -4.187  -3.870
  737   HE21  GLN 100          HE22      GLN 100  27.364  -5.306  -4.884
  738   HE22  GLN 100          HE21      GLN 100  25.906  -4.375  -5.165
  739    H    LEU 101           H        LEU 101  26.807  -1.987   0.770
  740    HA   LEU 101           HA       LEU 101  28.988  -0.217   0.139
  741    HB2  LEU 101           HB2      LEU 101  26.492  -0.082   1.889
  742    HB3  LEU 101           HB3      LEU 101  27.739   1.100   2.187
  743    HG   LEU 101           HG       LEU 101  25.902   1.914   0.701
  744   HD11  LEU 101          HD11      LEU 101  28.678   1.897  -0.603
  745   HD12  LEU 101          HD12      LEU 101  27.395   3.094  -0.836
  746   HD13  LEU 101          HD13      LEU 101  28.185   2.950   0.742
  747   HD21  LEU 101          HD21      LEU 101  27.143   0.095  -1.413
  748   HD22  LEU 101          HD22      LEU 101  25.544  -0.113  -0.654
  749   HD23  LEU 101          HD23      LEU 101  25.896   1.322  -1.639
  750    H    GLU 102           H        GLU 102  29.818   1.089   2.308
  751    HA   GLU 102           HA       GLU 102  31.763  -0.570   3.410
  752    HB2  GLU 102           HB2      GLU 102  30.832   2.217   3.811
  753    HB3  GLU 102           HB3      GLU 102  31.628   1.528   5.232
  754    HG2  GLU 102           HG2      GLU 102  32.814   1.300   2.462
  755    HG3  GLU 102           HG3      GLU 102  33.054   2.740   3.465
  756    H    ASP 103           H        ASP 103  32.253  -0.832   5.567
  757    HA   ASP 103           HA       ASP 103  30.175  -2.415   7.012
  758    HB2  ASP 103           HB2      ASP 103  31.813  -3.767   5.890
  759    HB3  ASP 103           HB3      ASP 103  33.147  -2.793   6.524
  760    HA   PRO 104           HA       PRO 104  31.562   0.687  10.033
  761    HB2  PRO 104           HB2      PRO 104  29.282   1.033  11.471
  762    HB3  PRO 104           HB3      PRO 104  29.455   1.641   9.799
  763    HG2  PRO 104           HG2      PRO 104  28.177  -0.966  10.710
  764    HG3  PRO 104           HG3      PRO 104  27.485   0.275   9.612
  765    HD2  PRO 104           HD2      PRO 104  28.806  -1.979   8.717
  766    HD3  PRO 104           HD3      PRO 104  28.842  -0.428   7.822
  767    H    ASP 105           H        ASP 105  31.609  -2.538  10.261
  768    HA   ASP 105           HA       ASP 105  31.003  -3.616  12.618
  769    HB2  ASP 105           HB2      ASP 105  32.207  -4.848  10.958
  770    HB3  ASP 105           HB3      ASP 105  33.660  -3.885  11.187
  771    H    GLY 106           H        GLY 106  30.951  -2.482  14.443
  772    HA2  GLY 106           HA2      GLY 106  31.537  -1.151  16.237
  773    HA3  GLY 106           HA3      GLY 106  32.948  -2.219  16.324
  774    H    GLN 107           H        GLN 107  32.317   0.084  13.667
  775    HA   GLN 107           HA       GLN 107  35.041   1.009  13.853
  776    HB2  GLN 107           HB2      GLN 107  32.718   1.601  11.961
  777    HB3  GLN 107           HB3      GLN 107  34.225   2.458  11.837
  778    HG2  GLN 107           HG2      GLN 107  35.042  -0.231  12.089
  779    HG3  GLN 107           HG3      GLN 107  33.679  -0.262  10.975
  780   HE21  GLN 107          HE22      GLN 107  34.244   0.087   8.831
  781   HE22  GLN 107          HE21      GLN 107  35.655   0.988   8.308
  782    H    SER 108           H        SER 108  35.326   3.390  13.141
  783    HA   SER 108           HA       SER 108  34.906   5.072  15.425
  784    HB2  SER 108           HB2      SER 108  35.837   6.801  13.713
  785    HB3  SER 108           HB3      SER 108  36.881   5.461  14.221
  786    HG   SER 108           HG       SER 108  36.947   5.685  11.964
  787    H    LEU 109           H        LEU 109  33.654   7.029  15.405
  788    HA   LEU 109           HA       LEU 109  30.991   6.709  14.522
  789    HB2  LEU 109           HB2      LEU 109  32.424   9.307  15.224
  790    HB3  LEU 109           HB3      LEU 109  30.683   9.080  15.132
  791    HG   LEU 109           HG       LEU 109  32.593   7.930  17.195
  792   HD11  LEU 109          HD11      LEU 109  31.822  10.264  17.511
  793   HD12  LEU 109          HD12      LEU 109  30.135   9.714  17.482
  794   HD13  LEU 109          HD13      LEU 109  31.226   9.189  18.782
  795   HD21  LEU 109          HD21      LEU 109  31.080   6.104  16.771
  796   HD22  LEU 109          HD22      LEU 109  30.562   6.886  18.266
  797   HD23  LEU 109          HD23      LEU 109  29.677   7.185  16.757
  798    H    GLU 110           H        GLU 110  33.771   8.142  12.894
  799    HA   GLU 110           HA       GLU 110  32.339   9.602  10.907
  800    HB2  GLU 110           HB2      GLU 110  35.096   8.305  10.848
  801    HB3  GLU 110           HB3      GLU 110  34.453   9.374   9.578
  802    HG2  GLU 110           HG2      GLU 110  34.025  11.110  11.311
  803    HG3  GLU 110           HG3      GLU 110  34.822  10.082  12.507
  804    H    VAL 111           H        VAL 111  33.390   6.096  10.984
  805    HA   VAL 111           HA       VAL 111  32.419   5.832   8.298
  806    HB   VAL 111           HB       VAL 111  33.040   3.675  10.371
  807   HG11  VAL 111          HG11      VAL 111  33.196   2.171   8.356
  808   HG12  VAL 111          HG12      VAL 111  31.569   2.782   8.598
  809   HG13  VAL 111          HG13      VAL 111  32.607   3.495   7.341
  810   HG21  VAL 111          HG21      VAL 111  34.707   4.858   8.081
  811   HG22  VAL 111          HG22      VAL 111  35.042   5.013   9.816
  812   HG23  VAL 111          HG23      VAL 111  35.168   3.439   9.040
  813    H    PHE 112           H        PHE 112  30.997   5.174  11.557
  814    HA   PHE 112           HA       PHE 112  28.462   4.333  10.651
  815    HB2  PHE 112           HB2      PHE 112  29.252   6.042  13.036
  816    HB3  PHE 112           HB3      PHE 112  27.594   5.753  12.585
  817    HD1  PHE 112           HD2      PHE 112  30.739   3.902  13.493
  818    HD2  PHE 112           HD1      PHE 112  26.436   3.819  13.223
  819    HE1  PHE 112           HE2      PHE 112  30.697   1.742  14.704
  820    HE2  PHE 112           HE1      PHE 112  26.403   1.670  14.454
  821    HZ   PHE 112           HZ       PHE 112  28.544   0.614  15.178
  822    H    ARG 113           H        ARG 113  29.542   7.783  11.006
  823    HA   ARG 113           HA       ARG 113  27.140   8.962  10.035
  824    HB2  ARG 113           HB2      ARG 113  30.058   9.892   9.837
  825    HB3  ARG 113           HB3      ARG 113  28.702  10.869   9.308
  826    HG2  ARG 113           HG2      ARG 113  27.777  10.901  11.607
  827    HG3  ARG 113           HG3      ARG 113  29.149   9.933  12.181
  828    HD2  ARG 113           HD2      ARG 113  30.729  11.647  11.600
  829    HD3  ARG 113           HD3      ARG 113  29.485  12.608  10.777
  830    HE   ARG 113           HE       ARG 113  28.497  12.400  13.323
  831   HH11  ARG 113          HH21      ARG 113  31.649  13.507  12.076
  832   HH12  ARG 113          HH22      ARG 113  31.860  14.703  13.305
  833   HH21  ARG 113          HH11      ARG 113  28.702  14.082  14.842
  834   HH22  ARG 113          HH12      ARG 113  30.178  14.994  14.952
  835    H    THR 114           H        THR 114  30.083   7.933   8.288
  836    HA   THR 114           HA       THR 114  29.229   9.000   5.806
  837    HB   THR 114           HB       THR 114  31.251   6.804   6.471
  838    HG1  THR 114           HG1      THR 114  31.883   8.658   7.431
  839   HG21  THR 114          HG21      THR 114  30.770   6.670   4.100
  840   HG22  THR 114          HG22      THR 114  30.908   8.435   3.916
  841   HG23  THR 114          HG23      THR 114  32.339   7.456   4.313
  842    H    VAL 115           H        VAL 115  28.925   5.723   7.279
  843    HA   VAL 115           HA       VAL 115  28.115   4.483   4.806
  844    HB   VAL 115           HB       VAL 115  27.949   3.688   7.761
  845   HG11  VAL 115          HG11      VAL 115  27.334   1.380   7.036
  846   HG12  VAL 115          HG12      VAL 115  26.023   2.536   6.801
  847   HG13  VAL 115          HG13      VAL 115  26.991   1.990   5.407
  848   HG21  VAL 115          HG21      VAL 115  30.166   3.622   6.474
  849   HG22  VAL 115          HG22      VAL 115  29.655   2.068   7.178
  850   HG23  VAL 115          HG23      VAL 115  29.407   2.391   5.450
  851    H    ARG 116           H        ARG 116  26.362   5.649   7.679
  852    HA   ARG 116           HA       ARG 116  23.697   5.385   6.936
  853    HB2  ARG 116           HB2      ARG 116  24.470   6.191   9.079
  854    HB3  ARG 116           HB3      ARG 116  25.371   7.490   8.325
  855    HG2  ARG 116           HG2      ARG 116  23.029   8.454   7.627
  856    HG3  ARG 116           HG3      ARG 116  22.429   7.346   8.884
  857    HD2  ARG 116           HD2      ARG 116  22.866   9.233  10.090
  858    HD3  ARG 116           HD3      ARG 116  24.421   8.313  10.274
  859    HE   ARG 116           HE       ARG 116  24.691   9.940   7.995
  860   HH11  ARG 116          HH21      ARG 116  24.295  10.540  11.485
  861   HH12  ARG 116          HH22      ARG 116  25.226  12.010  11.450
  862   HH21  ARG 116          HH11      ARG 116  25.877  11.886   7.966
  863   HH22  ARG 116          HH12      ARG 116  26.086  12.806   9.400
  864    H    GLY 117           H        GLY 117  25.892   8.162   5.962
  865    HA2  GLY 117           HA2      GLY 117  23.817   9.404   4.443
  866    HA3  GLY 117           HA3      GLY 117  25.559   9.711   4.265
  867    H    GLN 118           H        GLN 118  26.413   7.111   3.424
  868    HA   GLN 118           HA       GLN 118  25.754   7.225   0.665
  869    HB2  GLN 118           HB2      GLN 118  27.046   4.991   2.289
  870    HB3  GLN 118           HB3      GLN 118  27.036   5.103   0.513
  871    HG2  GLN 118           HG2      GLN 118  28.220   7.233   0.588
  872    HG3  GLN 118           HG3      GLN 118  28.212   7.235   2.337
  873   HE21  GLN 118          HE22      GLN 118  30.545   7.188   0.357
  874   HE22  GLN 118          HE21      GLN 118  31.521   5.846   0.914
  875    H    VAL 119           H        VAL 119  24.535   5.236   3.321
  876    HA   VAL 119           HA       VAL 119  22.847   3.535   1.754
  877    HB   VAL 119           HB       VAL 119  22.790   4.433   4.672
  878   HG11  VAL 119          HG11      VAL 119  21.193   2.648   5.133
  879   HG12  VAL 119          HG12      VAL 119  20.477   3.910   4.124
  880   HG13  VAL 119          HG13      VAL 119  20.975   2.373   3.383
  881   HG21  VAL 119          HG21      VAL 119  23.582   2.169   5.125
  882   HG22  VAL 119          HG22      VAL 119  23.354   1.685   3.427
  883   HG23  VAL 119          HG23      VAL 119  24.630   2.824   3.858
  884    H    LYS 120           H        LYS 120  22.368   6.812   3.278
  885    HA   LYS 120           HA       LYS 120  19.606   6.892   2.838
  886    HB2  LYS 120           HB2      LYS 120  19.625   8.981   3.658
  887    HB3  LYS 120           HB3      LYS 120  21.166   8.407   4.231
  888    HG2  LYS 120           HG2      LYS 120  22.126  10.226   3.442
  889    HG3  LYS 120           HG3      LYS 120  21.829   9.729   1.809
  890    HD2  LYS 120           HD2      LYS 120  19.947  11.390   3.547
  891    HD3  LYS 120           HD3      LYS 120  21.033  12.012   2.299
  892    HE2  LYS 120           HE2      LYS 120  19.803  10.675   0.569
  893    HE3  LYS 120           HE3      LYS 120  18.662  10.130   1.810
  894    HZ1  LYS 120           HZ1      LYS 120  18.034  12.485   2.134
  895    HZ2  LYS 120           HZ2      LYS 120  19.087  12.955   0.968
  896    HZ3  LYS 120           HZ3      LYS 120  17.799  12.020   0.575
  897    H    GLU 121           H        GLU 121  22.218   7.856   0.630
  898    HA   GLU 121           HA       GLU 121  20.467   8.846  -1.416
  899    HB2  GLU 121           HB2      GLU 121  23.292   7.676  -1.619
  900    HB3  GLU 121           HB3      GLU 121  22.457   8.555  -2.904
  901    HG2  GLU 121           HG2      GLU 121  22.320  10.551  -1.376
  902    HG3  GLU 121           HG3      GLU 121  23.314   9.673  -0.205
  903    H    ARG 122           H        ARG 122  21.886   5.542  -0.824
  904    HA   ARG 122           HA       ARG 122  20.685   4.494  -3.252
  905    HB2  ARG 122           HB2      ARG 122  21.776   3.094  -0.785
  906    HB3  ARG 122           HB3      ARG 122  21.066   2.274  -2.183
  907    HG2  ARG 122           HG2      ARG 122  22.750   3.849  -3.565
  908    HG3  ARG 122           HG3      ARG 122  23.644   3.829  -2.034
  909    HD2  ARG 122           HD2      ARG 122  23.665   1.371  -2.082
  910    HD3  ARG 122           HD3      ARG 122  22.646   1.388  -3.549
  911    HE   ARG 122           HE       ARG 122  24.974   2.932  -4.062
  912   HH11  ARG 122          HH11      ARG 122  23.931  -0.431  -3.810
  913   HH12  ARG 122          HH12      ARG 122  25.442  -1.102  -4.371
  914   HH21  ARG 122          HH21      ARG 122  26.843   2.077  -5.142
  915   HH22  ARG 122          HH22      ARG 122  27.008   0.373  -5.360
  916    H    VAL 123           H        VAL 123  19.540   4.566   0.176
  917    HA   VAL 123           HA       VAL 123  17.095   3.272  -0.242
  918    HB   VAL 123           HB       VAL 123  17.942   5.562   1.587
  919   HG11  VAL 123          HG11      VAL 123  15.948   5.002   2.922
  920   HG12  VAL 123          HG12      VAL 123  15.575   5.797   1.402
  921   HG13  VAL 123          HG13      VAL 123  15.340   4.035   1.561
  922   HG21  VAL 123          HG21      VAL 123  17.957   3.838   3.322
  923   HG22  VAL 123          HG22      VAL 123  17.340   2.619   2.192
  924   HG23  VAL 123          HG23      VAL 123  18.982   3.291   2.001
  925    H    GLU 124           H        GLU 124  17.849   6.784  -0.618
  926    HA   GLU 124           HA       GLU 124  15.261   7.412  -1.514
  927    HB2  GLU 124           HB2      GLU 124  16.836   8.887  -0.533
  928    HB3  GLU 124           HB3      GLU 124  17.896   8.821  -1.976
  929    HG2  GLU 124           HG2      GLU 124  16.067   9.745  -3.325
  930    HG3  GLU 124           HG3      GLU 124  15.011   9.769  -1.889
  931    H    ASN 125           H        ASN 125  18.088   6.312  -3.358
  932    HA   ASN 125           HA       ASN 125  16.979   6.691  -5.950
  933    HB2  ASN 125           HB2      ASN 125  19.125   4.925  -4.814
  934    HB3  ASN 125           HB3      ASN 125  18.474   4.523  -6.391
  935   HD21  ASN 125          HD22      ASN 125  20.003   7.235  -4.590
  936   HD22  ASN 125          HD21      ASN 125  20.665   8.012  -6.018
  937    H    LEU 126           H        LEU 126  16.886   3.875  -3.736
  938    HA   LEU 126           HA       LEU 126  15.317   2.161  -5.386
  939    HB2  LEU 126           HB2      LEU 126  16.064   0.950  -3.747
  940    HB3  LEU 126           HB3      LEU 126  16.205   2.303  -2.616
  941    HG   LEU 126           HG       LEU 126  13.480   1.183  -3.035
  942   HD11  LEU 126          HD11      LEU 126  14.951  -0.826  -2.890
  943   HD12  LEU 126          HD12      LEU 126  15.571  -0.200  -1.350
  944   HD13  LEU 126          HD13      LEU 126  13.869  -0.664  -1.504
  945   HD21  LEU 126          HD21      LEU 126  13.240   1.569  -0.652
  946   HD22  LEU 126          HD22      LEU 126  14.981   1.925  -0.491
  947   HD23  LEU 126          HD23      LEU 126  13.938   3.012  -1.394
  948    H    ILE 127           H        ILE 127  14.379   4.579  -3.016
  949    HA   ILE 127           HA       ILE 127  11.536   4.315  -3.247
  950    HB   ILE 127           HB       ILE 127  13.539   6.331  -2.295
  951   HG12  ILE 127          HG12      ILE 127  11.111   5.511  -0.736
  952   HG13  ILE 127          HG13      ILE 127  12.150   4.165  -1.203
  953   HG21  ILE 127          HG21      ILE 127  11.803   7.892  -1.529
  954   HG22  ILE 127          HG22      ILE 127  12.094   7.906  -3.268
  955   HG23  ILE 127          HG23      ILE 127  10.648   7.103  -2.633
  956   HD11  ILE 127          HD11      ILE 127  12.587   5.506   1.033
  957   HD12  ILE 127          HD12      ILE 127  13.893   4.835   0.047
  958   HD13  ILE 127          HD13      ILE 127  13.562   6.572  -0.045
  959    H    ALA 128           H        ALA 128  13.905   6.359  -5.091
  960    HA   ALA 128           HA       ALA 128  11.953   7.667  -6.625
  961    HB1  ALA 128           HB1      ALA 128  13.767   8.288  -8.118
  962    HB2  ALA 128           HB2      ALA 128  14.354   8.358  -6.445
  963    HB3  ALA 128           HB3      ALA 128  14.793   6.986  -7.499
  964    H    LYS 129           H        LYS 129  13.310   4.395  -7.035
  965    HA   LYS 129           HA       LYS 129  12.224   4.040  -9.663
  966    HB2  LYS 129           HB2      LYS 129  12.967   1.961  -7.574
  967    HB3  LYS 129           HB3      LYS 129  12.678   1.645  -9.282
  968    HG2  LYS 129           HG2      LYS 129  14.631   2.948  -9.932
  969    HG3  LYS 129           HG3      LYS 129  14.874   3.482  -8.260
  970    HD2  LYS 129           HD2      LYS 129  15.173   1.144  -7.539
  971    HD3  LYS 129           HD3      LYS 129  15.111   0.640  -9.253
  972    HE2  LYS 129           HE2      LYS 129  16.961   2.488  -9.571
  973    HE3  LYS 129           HE3      LYS 129  17.137   2.388  -7.807
  974    HZ1  LYS 129           HZ1      LYS 129  17.687  -0.002  -8.082
  975    HZ2  LYS 129           HZ2      LYS 129  17.528   0.135  -9.713
  976    HZ3  LYS 129           HZ3      LYS 129  18.712   0.940  -8.936
  977    H    ILE 130           H        ILE 130  11.062   3.247  -6.348
  978    HA   ILE 130           HA       ILE 130   8.731   1.949  -7.490
  979    HB   ILE 130           HB       ILE 130   8.412   1.203  -5.145
  980   HG12  ILE 130          HG12      ILE 130  10.807   2.779  -4.528
  981   HG13  ILE 130          HG13      ILE 130   9.290   2.645  -3.691
  982   HG21  ILE 130          HG21      ILE 130  11.062   0.449  -6.460
  983   HG22  ILE 130          HG22      ILE 130  10.056  -0.567  -5.402
  984   HG23  ILE 130          HG23      ILE 130   9.457  -0.108  -6.968
  985   HD11  ILE 130          HD11      ILE 130   9.891   0.285  -3.047
  986   HD12  ILE 130          HD12      ILE 130  11.479   0.541  -3.788
  987   HD13  ILE 130          HD13      ILE 130  10.996   1.519  -2.396
  988    H    SER 131           H        SER 131   9.259   4.733  -5.294
  989    HA   SER 131           HA       SER 131   6.576   4.793  -4.418
  990    HB2  SER 131           HB2      SER 131   8.716   6.949  -4.398
  991    HB3  SER 131           HB3      SER 131   7.197   6.971  -3.479
  992    HG   SER 131           HG       SER 131   8.782   6.067  -2.132
  Start of MODEL   15
    1    H    MET   1           H        MET   1   1.432  -2.850   1.918
    2    HA   MET   1           HA       MET   1   1.276  -1.655  -0.785
    3    HB2  MET   1           HB2      MET   1   3.141  -0.851   1.503
    4    HB3  MET   1           HB3      MET   1   3.069  -0.133  -0.100
    5    HG2  MET   1           HG2      MET   1   1.130   0.180   2.151
    6    HG3  MET   1           HG3      MET   1   2.091   1.395   1.318
    7    HE1  MET   1           HE1      MET   1   1.646   1.122  -1.743
    8    HE2  MET   1           HE2      MET   1   0.134   2.011  -2.016
    9    HE3  MET   1           HE3      MET   1   1.341   2.662  -0.898
   10    H    LYS   2           H        LYS   2   3.732  -1.500  -1.697
   11    HA   LYS   2           HA       LYS   2   4.740  -4.139  -2.075
   12    HB2  LYS   2           HB2      LYS   2   6.454  -1.607  -2.267
   13    HB3  LYS   2           HB3      LYS   2   6.734  -3.150  -3.028
   14    HG2  LYS   2           HG2      LYS   2   5.858  -2.141  -4.826
   15    HG3  LYS   2           HG3      LYS   2   4.359  -2.706  -4.116
   16    HD2  LYS   2           HD2      LYS   2   3.830  -0.447  -4.529
   17    HD3  LYS   2           HD3      LYS   2   4.343  -0.358  -2.862
   18    HE2  LYS   2           HE2      LYS   2   5.389   1.477  -3.804
   19    HE3  LYS   2           HE3      LYS   2   6.712   0.308  -3.738
   20    HZ1  LYS   2           HZ1      LYS   2   5.056   0.502  -6.194
   21    HZ2  LYS   2           HZ2      LYS   2   6.343   1.461  -5.975
   22    HZ3  LYS   2           HZ3      LYS   2   6.552  -0.182  -6.025
   23    H    LYS   3           H        LYS   3   6.070  -5.400  -0.828
   24    HA   LYS   3           HA       LYS   3   6.952  -4.213   1.756
   25    HB2  LYS   3           HB2      LYS   3   7.196  -7.069   0.838
   26    HB3  LYS   3           HB3      LYS   3   7.310  -6.443   2.490
   27    HG2  LYS   3           HG2      LYS   3   4.917  -5.872   2.476
   28    HG3  LYS   3           HG3      LYS   3   4.800  -6.357   0.771
   29    HD2  LYS   3           HD2      LYS   3   3.864  -8.086   2.165
   30    HD3  LYS   3           HD3      LYS   3   5.286  -8.624   1.262
   31    HE2  LYS   3           HE2      LYS   3   6.676  -8.369   3.357
   32    HE3  LYS   3           HE3      LYS   3   5.223  -7.856   4.234
   33    HZ1  LYS   3           HZ1      LYS   3   5.606 -10.493   2.924
   34    HZ2  LYS   3           HZ2      LYS   3   5.715 -10.226   4.534
   35    HZ3  LYS   3           HZ3      LYS   3   4.273 -10.054   3.779
   36    H    VAL   4           H        VAL   4   8.981  -3.706   2.172
   37    HA   VAL   4           HA       VAL   4  11.028  -4.350   0.147
   38    HB   VAL   4           HB       VAL   4  11.132  -2.063   2.081
   39   HG11  VAL   4          HG11      VAL   4  13.344  -2.572   1.280
   40   HG12  VAL   4          HG12      VAL   4  12.786  -2.730  -0.375
   41   HG13  VAL   4          HG13      VAL   4  12.790  -1.136   0.422
   42   HG21  VAL   4          HG21      VAL   4  10.053  -2.141  -0.773
   43   HG22  VAL   4          HG22      VAL   4   9.242  -1.586   0.684
   44   HG23  VAL   4          HG23      VAL   4  10.588  -0.642  -0.006
   45    H    MET   5           H        MET   5  13.184  -4.874   0.983
   46    HA   MET   5           HA       MET   5  13.341  -5.745   3.809
   47    HB2  MET   5           HB2      MET   5  12.744  -7.672   2.359
   48    HB3  MET   5           HB3      MET   5  14.139  -7.280   1.329
   49    HG2  MET   5           HG2      MET   5  14.622  -9.160   2.835
   50    HG3  MET   5           HG3      MET   5  15.701  -7.801   3.089
   51    HE1  MET   5           HE1      MET   5  12.141  -9.049   4.378
   52    HE2  MET   5           HE2      MET   5  13.347 -10.336   4.609
   53    HE3  MET   5           HE3      MET   5  12.616  -9.539   6.023
   54    H    PHE   6           H        PHE   6  15.409  -5.429   4.610
   55    HA   PHE   6           HA       PHE   6  17.518  -4.367   2.789
   56    HB2  PHE   6           HB2      PHE   6  16.741  -3.470   5.571
   57    HB3  PHE   6           HB3      PHE   6  18.264  -3.027   4.773
   58    HD1  PHE   6           HD1      PHE   6  18.251  -1.533   2.774
   59    HD2  PHE   6           HD2      PHE   6  14.607  -2.631   4.786
   60    HE1  PHE   6           HE1      PHE   6  16.982   0.086   1.399
   61    HE2  PHE   6           HE2      PHE   6  13.342  -1.138   3.330
   62    HZ   PHE   6           HZ       PHE   6  14.523   0.315   1.672
   63    H    VAL   7           H        VAL   7  19.225  -5.815   2.796
   64    HA   VAL   7           HA       VAL   7  19.211  -7.946   4.876
   65    HB   VAL   7           HB       VAL   7  20.615  -7.942   2.185
   66   HG11  VAL   7          HG11      VAL   7  20.744 -10.310   2.426
   67   HG12  VAL   7          HG12      VAL   7  21.424  -9.584   3.880
   68   HG13  VAL   7          HG13      VAL   7  19.797 -10.285   3.932
   69   HG21  VAL   7          HG21      VAL   7  18.150  -7.741   1.751
   70   HG22  VAL   7          HG22      VAL   7  18.801  -9.318   1.294
   71   HG23  VAL   7          HG23      VAL   7  17.879  -9.134   2.797
   72    H    CYS   8           H        CYS   8  20.805  -7.990   6.337
   73    HA   CYS   8           HA       CYS   8  23.018  -6.025   6.014
   74    HB2  CYS   8           HB2      CYS   8  22.102  -7.222   8.644
   75    HB3  CYS   8           HB3      CYS   8  22.932  -5.702   8.345
   76    HG   CYS   8           HG       CYS   8  19.816  -6.538   7.578
   77    H    LYS   9           H        LYS   9  25.090  -6.565   6.934
   78    HA   LYS   9           HA       LYS   9  25.677  -9.221   7.911
   79    HB2  LYS   9           HB2      LYS   9  25.927  -9.277   5.286
   80    HB3  LYS   9           HB3      LYS   9  27.296  -8.201   5.519
   81    HG2  LYS   9           HG2      LYS   9  28.158 -10.407   5.318
   82    HG3  LYS   9           HG3      LYS   9  28.329  -9.981   7.021
   83    HD2  LYS   9           HD2      LYS   9  26.229 -11.315   7.516
   84    HD3  LYS   9           HD3      LYS   9  26.099 -11.674   5.795
   85    HE2  LYS   9           HE2      LYS   9  27.046 -13.597   6.801
   86    HE3  LYS   9           HE3      LYS   9  28.350 -12.818   5.910
   87    HZ1  LYS   9           HZ1      LYS   9  27.901 -12.604   8.854
   88    HZ2  LYS   9           HZ2      LYS   9  29.038 -13.542   8.132
   89    HZ3  LYS   9           HZ3      LYS   9  29.148 -11.911   8.047
   90    H    ARG  10           H        ARG  10  27.722  -9.068   9.163
   91    HA   ARG  10           HA       ARG  10  28.995  -8.059  10.661
   92    HB2  ARG  10           HB2      ARG  10  30.253  -7.234   8.629
   93    HB3  ARG  10           HB3      ARG  10  29.351  -5.725   8.687
   94    HG2  ARG  10           HG2      ARG  10  30.382  -5.110  10.800
   95    HG3  ARG  10           HG3      ARG  10  31.115  -6.721  10.974
   96    HD2  ARG  10           HD2      ARG  10  31.775  -4.462   9.063
   97    HD3  ARG  10           HD3      ARG  10  32.742  -5.037  10.389
   98    HE   ARG  10           HE       ARG  10  32.687  -5.962   7.712
   99   HH11  ARG  10          HH11      ARG  10  33.542  -7.063  11.011
  100   HH12  ARG  10          HH12      ARG  10  34.325  -8.503  10.454
  101   HH21  ARG  10          HH21      ARG  10  33.757  -7.843   7.005
  102   HH22  ARG  10          HH22      ARG  10  34.537  -8.905   8.120
  103    H    ASN  11           H        ASN  11  29.096  -5.469  11.738
  104    HA   ASN  11           HA       ASN  11  26.777  -5.253  13.218
  105    HB2  ASN  11           HB2      ASN  11  28.948  -4.075  13.677
  106    HB3  ASN  11           HB3      ASN  11  28.542  -2.883  12.435
  107   HD21  ASN  11          HD22      ASN  11  28.970  -2.390  15.281
  108   HD22  ASN  11          HD21      ASN  11  27.454  -1.846  15.986
  109    H    SER  12           H        SER  12  24.824  -5.204  12.463
  110    HA   SER  12           HA       SER  12  24.189  -4.322   9.797
  111    HB2  SER  12           HB2      SER  12  22.548  -5.228  12.168
  112    HB3  SER  12           HB3      SER  12  21.944  -5.157  10.505
  113    HG   SER  12           HG       SER  12  24.315  -6.564  10.667
  114    H    CYS  13           H        CYS  13  24.754  -2.308  12.359
  115    HA   CYS  13           HA       CYS  13  22.598  -0.643  12.731
  116    HB2  CYS  13           HB2      CYS  13  24.339   1.186  12.963
  117    HB3  CYS  13           HB3      CYS  13  24.698  -0.300  13.875
  118    HG   CYS  13           HG       CYS  13  26.933   0.736  12.935
  119    H    ARG  14           H        ARG  14  24.967  -0.267  10.076
  120    HA   ARG  14           HA       ARG  14  23.766   1.810   8.702
  121    HB2  ARG  14           HB2      ARG  14  25.086   1.084   6.758
  122    HB3  ARG  14           HB3      ARG  14  25.994   0.937   8.260
  123    HG2  ARG  14           HG2      ARG  14  25.309  -1.577   8.256
  124    HG3  ARG  14           HG3      ARG  14  24.798  -1.309   6.583
  125    HD2  ARG  14           HD2      ARG  14  27.081  -0.655   5.970
  126    HD3  ARG  14           HD3      ARG  14  27.595  -0.782   7.642
  127    HE   ARG  14           HE       ARG  14  27.106  -3.183   7.630
  128   HH11  ARG  14          HH11      ARG  14  28.020  -1.773   4.567
  129   HH12  ARG  14          HH12      ARG  14  27.466  -3.060   3.557
  130   HH21  ARG  14          HH21      ARG  14  27.112  -5.178   6.424
  131   HH22  ARG  14          HH22      ARG  14  27.037  -5.097   4.669
  132    H    SER  15           H        SER  15  22.893  -1.675   8.237
  133    HA   SER  15           HA       SER  15  21.113  -0.909   6.046
  134    HB2  SER  15           HB2      SER  15  21.074  -3.609   6.123
  135    HB3  SER  15           HB3      SER  15  22.297  -2.630   5.324
  136    HG   SER  15           HG       SER  15  23.579  -3.848   6.558
  137    H    GLN  16           H        GLN  16  20.797  -2.174   9.400
  138    HA   GLN  16           HA       GLN  16  17.906  -2.404   9.121
  139    HB2  GLN  16           HB2      GLN  16  19.157  -3.751  10.637
  140    HB3  GLN  16           HB3      GLN  16  19.731  -2.353  11.555
  141    HG2  GLN  16           HG2      GLN  16  16.747  -2.843  11.275
  142    HG3  GLN  16           HG3      GLN  16  17.688  -3.899  12.315
  143   HE21  GLN  16          HE22      GLN  16  16.902  -3.197  14.373
  144   HE22  GLN  16          HE21      GLN  16  17.049  -1.537  14.911
  145    H    MET  17           H        MET  17  20.198   0.251   9.988
  146    HA   MET  17           HA       MET  17  18.181   2.199  10.552
  147    HB2  MET  17           HB2      MET  17  20.776   2.398  10.683
  148    HB3  MET  17           HB3      MET  17  20.689   2.774   8.938
  149    HG2  MET  17           HG2      MET  17  19.602   4.226  11.366
  150    HG3  MET  17           HG3      MET  17  20.888   4.746  10.281
  151    HE1  MET  17           HE1      MET  17  16.900   4.175  10.432
  152    HE2  MET  17           HE2      MET  17  17.393   5.570  11.472
  153    HE3  MET  17           HE3      MET  17  16.479   5.845   9.979
  154    H    ALA  18           H        ALA  18  19.569   0.994   7.466
  155    HA   ALA  18           HA       ALA  18  18.297   2.857   5.843
  156    HB1  ALA  18           HB1      ALA  18  18.810   1.378   4.031
  157    HB2  ALA  18           HB2      ALA  18  20.045   1.051   5.279
  158    HB3  ALA  18           HB3      ALA  18  18.673  -0.059   5.042
  159    H    GLU  19           H        GLU  19  16.981  -0.187   7.221
  160    HA   GLU  19           HA       GLU  19  14.377   0.060   6.070
  161    HB2  GLU  19           HB2      GLU  19  15.251  -1.953   7.259
  162    HB3  GLU  19           HB3      GLU  19  15.132  -1.064   8.768
  163    HG2  GLU  19           HG2      GLU  19  12.581  -0.738   7.810
  164    HG3  GLU  19           HG3      GLU  19  13.000  -2.278   7.114
  165    H    GLY  20           H        GLY  20  15.850   1.676   9.021
  166    HA2  GLY  20           HA2      GLY  20  13.348   2.667  10.003
  167    HA3  GLY  20           HA3      GLY  20  14.966   3.236  10.415
  168    H    PHE  21           H        PHE  21  15.935   4.125   7.897
  169    HA   PHE  21           HA       PHE  21  14.480   6.590   7.419
  170    HB2  PHE  21           HB2      PHE  21  16.660   5.097   5.939
  171    HB3  PHE  21           HB3      PHE  21  15.836   6.439   5.160
  172    HD1  PHE  21           HD1      PHE  21  15.507   8.519   7.170
  173    HD2  PHE  21           HD2      PHE  21  18.835   5.863   6.384
  174    HE1  PHE  21           HE1      PHE  21  17.058  10.138   8.203
  175    HE2  PHE  21           HE2      PHE  21  20.336   7.458   7.428
  176    HZ   PHE  21           HZ       PHE  21  19.482   9.622   8.363
  177    H    ALA  22           H        ALA  22  14.454   3.353   5.790
  178    HA   ALA  22           HA       ALA  22  12.832   4.331   3.662
  179    HB1  ALA  22           HB1      ALA  22  12.548   1.906   3.120
  180    HB2  ALA  22           HB2      ALA  22  14.246   2.372   3.385
  181    HB3  ALA  22           HB3      ALA  22  13.372   1.517   4.651
  182    H    LYS  23           H        LYS  23  11.877   2.808   6.811
  183    HA   LYS  23           HA       LYS  23   9.095   2.920   6.089
  184    HB2  LYS  23           HB2      LYS  23   8.621   2.069   8.206
  185    HB3  LYS  23           HB3      LYS  23  10.194   1.379   7.790
  186    HG2  LYS  23           HG2      LYS  23  11.286   3.108   9.223
  187    HG3  LYS  23           HG3      LYS  23   9.691   3.712   9.687
  188    HD2  LYS  23           HD2      LYS  23   9.160   1.394  10.582
  189    HD3  LYS  23           HD3      LYS  23  10.814   0.920  10.179
  190    HE2  LYS  23           HE2      LYS  23  10.814   1.388  12.497
  191    HE3  LYS  23           HE3      LYS  23  11.667   2.730  11.734
  192    HZ1  LYS  23           HZ1      LYS  23  10.097   3.485  13.435
  193    HZ2  LYS  23           HZ2      LYS  23   9.619   4.072  11.991
  194    HZ3  LYS  23           HZ3      LYS  23   8.830   2.799  12.672
  195    H    THR  24           H        THR  24  11.265   5.321   7.152
  196    HA   THR  24           HA       THR  24   9.282   7.205   8.166
  197    HB   THR  24           HB       THR  24  12.248   7.012   7.660
  198    HG1  THR  24           HG1      THR  24  11.744   6.323   9.590
  199   HG21  THR  24          HG21      THR  24  12.697   9.250   8.400
  200   HG22  THR  24          HG22      THR  24  11.899   9.210   6.820
  201   HG23  THR  24          HG23      THR  24  10.960   9.662   8.275
  202    H    LEU  25           H        LEU  25  11.376   6.873   5.305
  203    HA   LEU  25           HA       LEU  25  10.299   9.208   4.026
  204    HB2  LEU  25           HB2      LEU  25  12.367   7.135   3.345
  205    HB3  LEU  25           HB3      LEU  25  11.961   8.448   2.220
  206    HG   LEU  25           HG       LEU  25  13.064   8.784   5.011
  207   HD11  LEU  25          HD11      LEU  25  14.731   7.764   3.454
  208   HD12  LEU  25          HD12      LEU  25  14.399   9.058   2.280
  209   HD13  LEU  25          HD13      LEU  25  15.173   9.430   3.838
  210   HD21  LEU  25          HD21      LEU  25  11.757  10.762   4.351
  211   HD22  LEU  25          HD22      LEU  25  13.478  11.147   4.286
  212   HD23  LEU  25          HD23      LEU  25  12.595  10.820   2.781
  213    H    GLY  26           H        GLY  26   9.869   5.722   3.744
  214    HA2  GLY  26           HA2      GLY  26   8.414   5.832   1.178
  215    HA3  GLY  26           HA3      GLY  26   9.020   4.419   2.079
  216    H    ALA  27           H        ALA  27   7.413   6.705   4.043
  217    HA   ALA  27           HA       ALA  27   5.637   4.742   5.022
  218    HB1  ALA  27           HB1      ALA  27   5.636   7.775   5.444
  219    HB2  ALA  27           HB2      ALA  27   4.856   6.564   6.490
  220    HB3  ALA  27           HB3      ALA  27   6.627   6.624   6.351
  221    H    GLY  28           H        GLY  28   3.679   4.148   4.314
  222    HA2  GLY  28           HA2      GLY  28   1.566   4.298   3.382
  223    HA3  GLY  28           HA3      GLY  28   1.840   6.019   3.049
  224    H    LYS  29           H        LYS  29   4.421   4.161   1.744
  225    HA   LYS  29           HA       LYS  29   3.157   4.029  -0.904
  226    HB2  LYS  29           HB2      LYS  29   5.926   4.920  -0.075
  227    HB3  LYS  29           HB3      LYS  29   5.390   4.728  -1.747
  228    HG2  LYS  29           HG2      LYS  29   4.093   6.605   0.261
  229    HG3  LYS  29           HG3      LYS  29   5.390   7.098  -0.817
  230    HD2  LYS  29           HD2      LYS  29   3.940   6.491  -2.784
  231    HD3  LYS  29           HD3      LYS  29   2.623   6.105  -1.656
  232    HE2  LYS  29           HE2      LYS  29   2.692   8.430  -0.779
  233    HE3  LYS  29           HE3      LYS  29   4.003   8.819  -1.897
  234    HZ1  LYS  29           HZ1      LYS  29   1.254   8.023  -2.701
  235    HZ2  LYS  29           HZ2      LYS  29   1.867   9.532  -2.768
  236    HZ3  LYS  29           HZ3      LYS  29   2.472   8.369  -3.744
  237    H    ILE  30           H        ILE  30   5.399   2.756   1.530
  238    HA   ILE  30           HA       ILE  30   5.313   0.066   0.296
  239    HB   ILE  30           HB       ILE  30   7.703  -0.154   0.828
  240   HG12  ILE  30          HG12      ILE  30   7.988   2.849   0.934
  241   HG13  ILE  30          HG13      ILE  30   7.729   1.937   2.421
  242   HG21  ILE  30          HG21      ILE  30   7.275   2.100  -1.189
  243   HG22  ILE  30          HG22      ILE  30   8.522   0.834  -1.159
  244   HG23  ILE  30          HG23      ILE  30   6.836   0.395  -1.461
  245   HD11  ILE  30          HD11      ILE  30  10.065   2.281   2.201
  246   HD12  ILE  30          HD12      ILE  30   9.741   0.566   1.918
  247   HD13  ILE  30          HD13      ILE  30  10.087   1.668   0.540
  248    H    ALA  31           H        ALA  31   6.095  -1.522   1.783
  249    HA   ALA  31           HA       ALA  31   5.782  -0.947   4.716
  250    HB1  ALA  31           HB1      ALA  31   4.040  -2.562   3.882
  251    HB2  ALA  31           HB2      ALA  31   5.325  -3.550   3.137
  252    HB3  ALA  31           HB3      ALA  31   5.240  -3.387   4.901
  253    H    VAL  32           H        VAL  32   7.624  -1.683   5.906
  254    HA   VAL  32           HA       VAL  32   9.930  -2.474   4.250
  255    HB   VAL  32           HB       VAL  32  10.054  -0.542   6.538
  256   HG11  VAL  32          HG11      VAL  32  11.493  -0.303   3.928
  257   HG12  VAL  32          HG12      VAL  32  11.913   0.307   5.558
  258   HG13  VAL  32          HG13      VAL  32  12.077  -1.413   5.207
  259   HG21  VAL  32          HG21      VAL  32   8.353   0.661   5.440
  260   HG22  VAL  32          HG22      VAL  32   9.818   1.361   4.739
  261   HG23  VAL  32          HG23      VAL  32   8.909   0.182   3.832
  262    H    THR  33           H        THR  33  11.573  -3.743   5.211
  263    HA   THR  33           HA       THR  33  11.319  -4.737   7.974
  264    HB   THR  33           HB       THR  33  11.692  -6.877   6.019
  265    HG1  THR  33           HG1      THR  33  10.156  -5.786   4.790
  266   HG21  THR  33          HG21      THR  33  10.046  -8.050   7.399
  267   HG22  THR  33          HG22      THR  33  11.293  -7.299   8.402
  268   HG23  THR  33          HG23      THR  33   9.685  -6.540   8.272
  269    H    SER  34           H        SER  34  13.370  -6.103   8.549
  270    HA   SER  34           HA       SER  34  15.575  -5.821   6.598
  271    HB2  SER  34           HB2      SER  34  17.117  -5.194   8.440
  272    HB3  SER  34           HB3      SER  34  15.971  -3.935   7.975
  273    HG   SER  34           HG       SER  34  14.838  -4.196   9.790
  274    H    CYS  35           H        CYS  35  17.427  -7.301   7.172
  275    HA   CYS  35           HA       CYS  35  16.850  -9.413   9.133
  276    HB2  CYS  35           HB2      CYS  35  17.158 -11.223   7.422
  277    HB3  CYS  35           HB3      CYS  35  15.707 -10.246   7.121
  278    HG   CYS  35           HG       CYS  35  16.703  -8.730   5.309
  279    H    GLY  36           H        GLY  36  18.690 -10.605   9.698
  280    HA2  GLY  36           HA2      GLY  36  21.144 -10.944   9.451
  281    HA3  GLY  36           HA3      GLY  36  21.279  -9.230   9.037
  282    H    LEU  37           H        LEU  37  21.268  -7.686  10.725
  283    HA   LEU  37           HA       LEU  37  21.607  -6.920  12.802
  284    HB2  LEU  37           HB2      LEU  37  19.131  -8.540  13.205
  285    HB3  LEU  37           HB3      LEU  37  19.999  -7.991  14.631
  286    HG   LEU  37           HG       LEU  37  18.713  -6.272  12.517
  287   HD11  LEU  37          HD11      LEU  37  17.388  -7.306  14.455
  288   HD12  LEU  37          HD12      LEU  37  18.317  -6.266  15.545
  289   HD13  LEU  37          HD13      LEU  37  17.268  -5.545  14.294
  290   HD21  LEU  37          HD21      LEU  37  20.563  -4.915  12.942
  291   HD22  LEU  37          HD22      LEU  37  19.403  -4.328  14.114
  292   HD23  LEU  37          HD23      LEU  37  20.699  -5.426  14.644
  293    H    GLU  38           H        GLU  38  23.497  -8.393  11.890
  294    HA   GLU  38           HA       GLU  38  24.131 -10.728  13.425
  295    HB2  GLU  38           HB2      GLU  38  24.909 -10.004  11.061
  296    HB3  GLU  38           HB3      GLU  38  26.070  -8.966  11.909
  297    HG2  GLU  38           HG2      GLU  38  27.241 -10.839  12.799
  298    HG3  GLU  38           HG3      GLU  38  25.879 -11.930  12.519
  299    H    SER  39           H        SER  39  24.337  -7.351  14.043
  300    HA   SER  39           HA       SER  39  26.412  -7.317  16.017
  301    HB2  SER  39           HB2      SER  39  24.913  -5.038  16.387
  302    HB3  SER  39           HB3      SER  39  26.195  -5.260  15.205
  303    HG   SER  39           HG       SER  39  23.897  -4.490  14.562
  304    H    SER  40           H        SER  40  24.532  -9.422  16.470
  305    HA   SER  40           HA       SER  40  23.260 -10.441  18.018
  306    HB2  SER  40           HB2      SER  40  24.675  -8.583  19.962
  307    HB3  SER  40           HB3      SER  40  23.916 -10.143  20.330
  308    HG   SER  40           HG       SER  40  26.206 -10.317  20.017
  309    H    ARG  41           H        ARG  41  21.559  -9.230  16.760
  310    HA   ARG  41           HA       ARG  41  19.523  -8.240  16.675
  311    HB2  ARG  41           HB2      ARG  41  19.404  -8.244  19.704
  312    HB3  ARG  41           HB3      ARG  41  18.061  -8.112  18.575
  313    HG2  ARG  41           HG2      ARG  41  19.805 -10.573  18.967
  314    HG3  ARG  41           HG3      ARG  41  18.189 -10.326  19.606
  315    HD2  ARG  41           HD2      ARG  41  17.256 -10.240  17.323
  316    HD3  ARG  41           HD3      ARG  41  18.879 -10.479  16.635
  317    HE   ARG  41           HE       ARG  41  18.524 -12.561  18.435
  318   HH11  ARG  41          HH11      ARG  41  16.800 -11.523  15.441
  319   HH12  ARG  41          HH12      ARG  41  16.346 -13.160  15.054
  320   HH21  ARG  41          HH21      ARG  41  17.850 -14.678  17.830
  321   HH22  ARG  41          HH22      ARG  41  16.921 -14.912  16.387
  322    H    VAL  42           H        VAL  42  18.596  -6.140  18.681
  323    HA   VAL  42           HA       VAL  42  19.462  -3.916  17.187
  324    HB   VAL  42           HB       VAL  42  18.021  -4.312  19.783
  325   HG11  VAL  42          HG11      VAL  42  19.086  -2.107  20.036
  326   HG12  VAL  42          HG12      VAL  42  18.427  -1.619  18.449
  327   HG13  VAL  42          HG13      VAL  42  17.344  -1.962  19.822
  328   HG21  VAL  42          HG21      VAL  42  16.819  -4.925  17.657
  329   HG22  VAL  42          HG22      VAL  42  16.042  -3.588  18.494
  330   HG23  VAL  42          HG23      VAL  42  17.042  -3.270  17.076
  331    H    HIS  43           H        HIS  43  20.746  -2.201  17.638
  332    HA   HIS  43           HA       HIS  43  23.037  -2.761  19.454
  333    HB2  HIS  43           HB2      HIS  43  23.377  -3.426  17.116
  334    HB3  HIS  43           HB3      HIS  43  23.043  -1.789  16.575
  335    HD1  HIS  43           HD1      HIS  43  25.637  -3.598  18.884
  336    HD2  HIS  43           HD2      HIS  43  25.104  -0.144  16.534
  337    HE1  HIS  43           HE1      HIS  43  27.855  -2.347  18.917
  338    HA   PRO  44           HA       PRO  44  21.362   1.182  20.779
  339    HB2  PRO  44           HB2      PRO  44  23.045   1.748  22.895
  340    HB3  PRO  44           HB3      PRO  44  21.765   0.497  22.934
  341    HG2  PRO  44           HG2      PRO  44  24.707   0.125  22.291
  342    HG3  PRO  44           HG3      PRO  44  23.713  -0.790  23.477
  343    HD2  PRO  44           HD2      PRO  44  24.164  -1.764  21.002
  344    HD3  PRO  44           HD3      PRO  44  22.519  -1.906  21.727
  345    H    THR  45           H        THR  45  24.914   1.022  20.028
  346    HA   THR  45           HA       THR  45  25.330   3.804  19.884
  347    HB   THR  45           HB       THR  45  26.548   1.726  18.021
  348    HG1  THR  45           HG1      THR  45  27.821   1.096  19.654
  349   HG21  THR  45          HG21      THR  45  28.581   3.155  18.231
  350   HG22  THR  45          HG22      THR  45  27.229   4.031  17.507
  351   HG23  THR  45          HG23      THR  45  27.651   4.322  19.206
  352    H    ALA  46           H        ALA  46  23.706   1.603  17.563
  353    HA   ALA  46           HA       ALA  46  23.684   3.521  15.407
  354    HB1  ALA  46           HB1      ALA  46  23.307   0.988  15.215
  355    HB2  ALA  46           HB2      ALA  46  21.674   1.254  15.850
  356    HB3  ALA  46           HB3      ALA  46  22.171   1.998  14.308
  357    H    ILE  47           H        ILE  47  21.461   2.688  18.057
  358    HA   ILE  47           HA       ILE  47  19.319   4.413  17.296
  359    HB   ILE  47           HB       ILE  47  20.147   3.192  19.884
  360   HG12  ILE  47          HG12      ILE  47  17.993   2.101  19.719
  361   HG13  ILE  47          HG13      ILE  47  17.694   2.864  18.148
  362   HG21  ILE  47          HG21      ILE  47  18.035   4.010  20.930
  363   HG22  ILE  47          HG22      ILE  47  19.148   5.331  20.595
  364   HG23  ILE  47          HG23      ILE  47  17.764   5.052  19.518
  365   HD11  ILE  47          HD11      ILE  47  19.781   0.769  18.879
  366   HD12  ILE  47          HD12      ILE  47  18.321   0.545  17.895
  367   HD13  ILE  47          HD13      ILE  47  19.653   1.516  17.266
  368    H    ALA  48           H        ALA  48  22.185   5.021  19.421
  369    HA   ALA  48           HA       ALA  48  21.504   7.716  19.928
  370    HB1  ALA  48           HB1      ALA  48  24.307   6.552  19.700
  371    HB2  ALA  48           HB2      ALA  48  23.832   8.082  20.493
  372    HB3  ALA  48           HB3      ALA  48  23.270   6.532  21.155
  373    H    MET  49           H        MET  49  23.358   6.339  17.189
  374    HA   MET  49           HA       MET  49  24.013   8.856  16.016
  375    HB2  MET  49           HB2      MET  49  23.593   6.157  14.705
  376    HB3  MET  49           HB3      MET  49  24.256   7.576  13.874
  377    HG2  MET  49           HG2      MET  49  25.442   6.187  16.289
  378    HG3  MET  49           HG3      MET  49  25.974   6.069  14.627
  379    HE1  MET  49           HE1      MET  49  25.555   8.472  17.789
  380    HE2  MET  49           HE2      MET  49  26.752   7.164  17.879
  381    HE3  MET  49           HE3      MET  49  27.283   8.869  17.864
  382    H    MET  50           H        MET  50  21.067   6.887  15.893
  383    HA   MET  50           HA       MET  50  19.952   8.497  13.712
  384    HB2  MET  50           HB2      MET  50  18.580   6.432  15.467
  385    HB3  MET  50           HB3      MET  50  18.008   7.095  13.937
  386    HG2  MET  50           HG2      MET  50  19.868   4.921  14.424
  387    HG3  MET  50           HG3      MET  50  18.841   5.264  13.053
  388    HE1  MET  50           HE1      MET  50  22.703   4.547  11.920
  389    HE2  MET  50           HE2      MET  50  22.587   4.527  13.676
  390    HE3  MET  50           HE3      MET  50  21.336   3.721  12.719
  391    H    GLU  51           H        GLU  51  19.700   8.319  17.275
  392    HA   GLU  51           HA       GLU  51  17.642  10.208  17.570
  393    HB2  GLU  51           HB2      GLU  51  18.594   8.642  19.339
  394    HB3  GLU  51           HB3      GLU  51  20.049   9.628  19.395
  395    HG2  GLU  51           HG2      GLU  51  18.690  10.235  21.251
  396    HG3  GLU  51           HG3      GLU  51  18.637  11.587  20.132
  397    H    GLU  52           H        GLU  52  21.109  10.572  17.032
  398    HA   GLU  52           HA       GLU  52  21.313  13.377  17.342
  399    HB2  GLU  52           HB2      GLU  52  22.855  11.286  15.800
  400    HB3  GLU  52           HB3      GLU  52  23.311  12.977  15.686
  401    HG2  GLU  52           HG2      GLU  52  23.064  11.634  18.399
  402    HG3  GLU  52           HG3      GLU  52  24.492  11.400  17.404
  403    H    VAL  53           H        VAL  53  19.558  11.600  14.896
  404    HA   VAL  53           HA       VAL  53  19.095  14.135  13.456
  405    HB   VAL  53           HB       VAL  53  18.727  12.683  11.439
  406   HG11  VAL  53          HG11      VAL  53  21.560  12.899  12.495
  407   HG12  VAL  53          HG12      VAL  53  21.097  12.678  10.790
  408   HG13  VAL  53          HG13      VAL  53  20.651  14.158  11.646
  409   HG21  VAL  53          HG21      VAL  53  19.873  10.567  11.194
  410   HG22  VAL  53          HG22      VAL  53  20.398  10.610  12.889
  411   HG23  VAL  53          HG23      VAL  53  18.668  10.450  12.469
  412    H    GLY  54           H        GLY  54  17.742  12.380  15.716
  413    HA2  GLY  54           HA2      GLY  54  15.612  12.365  16.481
  414    HA3  GLY  54           HA3      GLY  54  15.122  13.330  15.083
  415    H    ILE  55           H        ILE  55  16.533  10.001  14.994
  416    HA   ILE  55           HA       ILE  55  13.891   8.889  14.297
  417    HB   ILE  55           HB       ILE  55  16.464   8.131  12.884
  418   HG12  ILE  55          HG12      ILE  55  13.985   9.715  12.088
  419   HG13  ILE  55          HG13      ILE  55  15.681  10.236  12.050
  420   HG21  ILE  55          HG21      ILE  55  13.636   7.008  12.626
  421   HG22  ILE  55          HG22      ILE  55  15.000   6.597  11.578
  422   HG23  ILE  55          HG23      ILE  55  15.070   6.138  13.244
  423   HD11  ILE  55          HD11      ILE  55  14.293   8.247  10.272
  424   HD12  ILE  55          HD12      ILE  55  15.049   9.790   9.821
  425   HD13  ILE  55          HD13      ILE  55  16.078   8.420  10.331
  426    H    ASP  56           H        ASP  56  13.718   6.611  15.012
  427    HA   ASP  56           HA       ASP  56  15.788   5.644  16.912
  428    HB2  ASP  56           HB2      ASP  56  14.189   6.436  18.468
  429    HB3  ASP  56           HB3      ASP  56  12.825   5.924  17.457
  430    H    ILE  57           H        ILE  57  16.086   3.485  16.788
  431    HA   ILE  57           HA       ILE  57  14.500   1.858  14.884
  432    HB   ILE  57           HB       ILE  57  16.495   1.122  13.761
  433   HG12  ILE  57          HG12      ILE  57  18.047   3.183  15.393
  434   HG13  ILE  57          HG13      ILE  57  18.204   1.426  15.495
  435   HG21  ILE  57          HG21      ILE  57  15.170   3.246  13.069
  436   HG22  ILE  57          HG22      ILE  57  16.586   4.156  13.625
  437   HG23  ILE  57          HG23      ILE  57  16.723   2.944  12.317
  438   HD11  ILE  57          HD11      ILE  57  20.010   2.545  14.233
  439   HD12  ILE  57          HD12      ILE  57  19.176   1.335  13.264
  440   HD13  ILE  57          HD13      ILE  57  18.848   3.050  13.004
  441    H    SER  58           H        SER  58  15.016   2.063  17.937
  442    HA   SER  58           HA       SER  58  16.003  -0.599  18.564
  443    HB2  SER  58           HB2      SER  58  15.192  -0.091  20.864
  444    HB3  SER  58           HB3      SER  58  16.379   1.045  20.263
  445    HG   SER  58           HG       SER  58  14.676   2.530  19.822
  446    H    GLY  59           H        GLY  59  12.848   0.939  17.992
  447    HA2  GLY  59           HA2      GLY  59  11.230  -1.250  18.903
  448    HA3  GLY  59           HA3      GLY  59  10.747   0.045  17.794
  449    H    GLN  60           H        GLN  60  13.435  -1.190  16.341
  450    HA   GLN  60           HA       GLN  60  11.909  -2.878  14.491
  451    HB2  GLN  60           HB2      GLN  60  14.752  -1.768  14.446
  452    HB3  GLN  60           HB3      GLN  60  14.056  -2.799  13.186
  453    HG2  GLN  60           HG2      GLN  60  12.276  -1.059  12.869
  454    HG3  GLN  60           HG3      GLN  60  13.097  -0.052  14.103
  455   HE21  GLN  60          HE22      GLN  60  14.435  -1.877  11.174
  456   HE22  GLN  60          HE21      GLN  60  15.424  -0.497  10.722
  457    H    THR  61           H        THR  61  12.520  -5.038  14.201
  458    HA   THR  61           HA       THR  61  14.830  -6.084  15.556
  459    HB   THR  61           HB       THR  61  13.339  -8.161  16.254
  460    HG1  THR  61           HG1      THR  61  11.340  -7.483  15.441
  461   HG21  THR  61          HG21      THR  61  14.525  -6.657  17.862
  462   HG22  THR  61          HG22      THR  61  13.085  -5.612  17.906
  463   HG23  THR  61          HG23      THR  61  12.991  -7.285  18.485
  464    H    SER  62           H        SER  62  15.437  -8.206  14.600
  465    HA   SER  62           HA       SER  62  14.338  -8.762  11.932
  466    HB2  SER  62           HB2      SER  62  17.246  -8.049  12.050
  467    HB3  SER  62           HB3      SER  62  16.135  -7.950  10.705
  468    HG   SER  62           HG       SER  62  15.846  -5.906  11.175
  469    H    ASP  63           H        ASP  63  15.709 -10.561  10.924
  470    HA   ASP  63           HA       ASP  63  16.946 -12.442  12.836
  471    HB2  ASP  63           HB2      ASP  63  14.277 -12.458  12.657
  472    HB3  ASP  63           HB3      ASP  63  14.569 -13.233  11.117
  473    HA   PRO  64           HA       PRO  64  19.345 -12.997   9.263
  474    HB2  PRO  64           HB2      PRO  64  20.062 -15.641   8.993
  475    HB3  PRO  64           HB3      PRO  64  20.629 -14.574  10.311
  476    HG2  PRO  64           HG2      PRO  64  18.331 -16.539  10.365
  477    HG3  PRO  64           HG3      PRO  64  19.642 -16.336  11.570
  478    HD2  PRO  64           HD2      PRO  64  17.204 -15.237  11.882
  479    HD3  PRO  64           HD3      PRO  64  18.660 -14.347  12.423
  480    H    ILE  65           H        ILE  65  19.640 -13.704   7.050
  481    HA   ILE  65           HA       ILE  65  17.260 -13.492   5.574
  482    HB   ILE  65           HB       ILE  65  19.551 -12.802   4.865
  483   HG12  ILE  65          HG12      ILE  65  18.030 -14.578   2.899
  484   HG13  ILE  65          HG13      ILE  65  17.789 -12.865   3.242
  485   HG21  ILE  65          HG21      ILE  65  20.762 -14.920   5.599
  486   HG22  ILE  65          HG22      ILE  65  20.086 -15.721   4.170
  487   HG23  ILE  65          HG23      ILE  65  21.188 -14.337   3.995
  488   HD11  ILE  65          HD11      ILE  65  20.129 -12.453   2.356
  489   HD12  ILE  65          HD12      ILE  65  20.168 -14.154   1.848
  490   HD13  ILE  65          HD13      ILE  65  18.957 -13.059   1.166
  491    H    GLU  66           H        GLU  66  19.000 -16.378   6.585
  492    HA   GLU  66           HA       GLU  66  17.826 -18.163   4.745
  493    HB2  GLU  66           HB2      GLU  66  19.255 -18.363   7.407
  494    HB3  GLU  66           HB3      GLU  66  18.623 -19.841   6.654
  495    HG2  GLU  66           HG2      GLU  66  20.560 -17.907   5.304
  496    HG3  GLU  66           HG3      GLU  66  21.045 -19.342   6.200
  497    H    ASN  67           H        ASN  67  16.495 -16.817   7.692
  498    HA   ASN  67           HA       ASN  67  14.430 -18.833   7.854
  499    HB2  ASN  67           HB2      ASN  67  13.931 -18.019   9.849
  500    HB3  ASN  67           HB3      ASN  67  15.418 -17.078   9.729
  501   HD21  ASN  67          HD22      ASN  67  15.195 -14.838   8.779
  502   HD22  ASN  67          HD21      ASN  67  13.665 -14.004   8.935
  503    H    PHE  68           H        PHE  68  14.992 -16.204   5.732
  504    HA   PHE  68           HA       PHE  68  12.116 -15.597   5.463
  505    HB2  PHE  68           HB2      PHE  68  14.567 -13.877   4.948
  506    HB3  PHE  68           HB3      PHE  68  12.961 -13.413   4.465
  507    HD1  PHE  68           HD1      PHE  68  11.220 -14.117   6.758
  508    HD2  PHE  68           HD2      PHE  68  15.208 -12.489   6.723
  509    HE1  PHE  68           HE1      PHE  68  10.759 -12.957   8.883
  510    HE2  PHE  68           HE2      PHE  68  14.727 -11.299   8.860
  511    HZ   PHE  68           HZ       PHE  68  12.504 -11.524   9.934
  512    H    ASN  69           H        ASN  69  11.656 -14.591   3.273
  513    HA   ASN  69           HA       ASN  69  12.679 -16.061   0.938
  514    HB2  ASN  69           HB2      ASN  69  10.204 -16.768   0.506
  515    HB3  ASN  69           HB3      ASN  69  11.258 -17.768   1.479
  516   HD21  ASN  69          HD22      ASN  69   9.161 -14.875   2.247
  517   HD22  ASN  69          HD21      ASN  69   8.347 -15.675   3.587
  518    H    ALA  70           H        ALA  70  13.130 -14.202  -0.165
  519    HA   ALA  70           HA       ALA  70  11.721 -11.789  -0.110
  520    HB1  ALA  70           HB1      ALA  70  12.746 -11.471  -2.389
  521    HB2  ALA  70           HB2      ALA  70  13.872 -11.986  -1.126
  522    HB3  ALA  70           HB3      ALA  70  13.286 -13.171  -2.327
  523    H    ASP  71           H        ASP  71  10.854 -14.741  -1.751
  524    HA   ASP  71           HA       ASP  71   8.970 -13.899  -3.650
  525    HB2  ASP  71           HB2      ASP  71   9.547 -16.268  -3.326
  526    HB3  ASP  71           HB3      ASP  71   8.814 -16.247  -1.720
  527    H    ASP  72           H        ASP  72   8.729 -13.891  -0.114
  528    HA   ASP  72           HA       ASP  72   5.865 -13.182  -0.179
  529    HB2  ASP  72           HB2      ASP  72   6.809 -14.743   1.515
  530    HB3  ASP  72           HB3      ASP  72   7.724 -13.381   2.199
  531    H    TYR  73           H        TYR  73   8.323 -11.360  -1.098
  532    HA   TYR  73           HA       TYR  73   7.236  -8.904   0.002
  533    HB2  TYR  73           HB2      TYR  73  10.229  -9.395  -0.280
  534    HB3  TYR  73           HB3      TYR  73   9.473  -7.917   0.313
  535    HD1  TYR  73           HD1      TYR  73   9.887 -11.562   1.073
  536    HD2  TYR  73           HD2      TYR  73   9.233  -7.624   2.686
  537    HE1  TYR  73           HE1      TYR  73  10.011 -12.503   3.327
  538    HE2  TYR  73           HE2      TYR  73   9.281  -8.562   4.977
  539    HH   TYR  73           HH       TYR  73   9.823 -12.043   5.663
  540    H    ASP  74           H        ASP  74   8.224  -6.968  -1.461
  541    HA   ASP  74           HA       ASP  74   8.178  -7.950  -4.294
  542    HB2  ASP  74           HB2      ASP  74   7.392  -5.257  -3.140
  543    HB3  ASP  74           HB3      ASP  74   7.180  -5.784  -4.805
  544    H    VAL  75           H        VAL  75  10.169  -6.110  -2.022
  545    HA   VAL  75           HA       VAL  75  11.959  -5.247  -4.261
  546    HB   VAL  75           HB       VAL  75  10.563  -3.640  -2.233
  547   HG11  VAL  75          HG11      VAL  75  12.284  -1.926  -3.847
  548   HG12  VAL  75          HG12      VAL  75  11.829  -1.852  -2.190
  549   HG13  VAL  75          HG13      VAL  75  13.153  -2.941  -2.669
  550   HG21  VAL  75          HG21      VAL  75  10.626  -3.298  -5.203
  551   HG22  VAL  75          HG22      VAL  75   9.245  -3.800  -4.215
  552   HG23  VAL  75          HG23      VAL  75   9.856  -2.159  -4.072
  553    H    VAL  76           H        VAL  76  14.118  -5.870  -3.682
  554    HA   VAL  76           HA       VAL  76  14.634  -6.095  -0.762
  555    HB   VAL  76           HB       VAL  76  15.922  -8.079  -1.151
  556   HG11  VAL  76          HG11      VAL  76  14.105  -9.658  -1.308
  557   HG12  VAL  76          HG12      VAL  76  13.474  -8.219  -0.516
  558   HG13  VAL  76          HG13      VAL  76  13.104  -8.513  -2.215
  559   HG21  VAL  76          HG21      VAL  76  16.654  -8.056  -3.361
  560   HG22  VAL  76          HG22      VAL  76  15.563  -9.436  -3.260
  561   HG23  VAL  76          HG23      VAL  76  15.020  -7.934  -4.031
  562    H    ILE  77           H        ILE  77  16.347  -5.134  -0.103
  563    HA   ILE  77           HA       ILE  77  18.375  -4.193  -2.065
  564    HB   ILE  77           HB       ILE  77  17.443  -2.913   0.533
  565   HG12  ILE  77          HG12      ILE  77  15.725  -2.426  -1.047
  566   HG13  ILE  77          HG13      ILE  77  16.739  -1.006  -0.873
  567   HG21  ILE  77          HG21      ILE  77  19.859  -2.582   0.125
  568   HG22  ILE  77          HG22      ILE  77  19.517  -1.978  -1.504
  569   HG23  ILE  77          HG23      ILE  77  18.958  -1.097  -0.059
  570   HD11  ILE  77          HD11      ILE  77  16.824  -2.951  -3.211
  571   HD12  ILE  77          HD12      ILE  77  16.076  -1.372  -3.231
  572   HD13  ILE  77          HD13      ILE  77  17.843  -1.514  -3.048
  573    H    SER  78           H        SER  78  20.353  -4.965  -1.579
  574    HA   SER  78           HA       SER  78  20.763  -6.182   1.114
  575    HB2  SER  78           HB2      SER  78  20.681  -7.916  -0.447
  576    HB3  SER  78           HB3      SER  78  21.597  -7.012  -1.667
  577    HG   SER  78           HG       SER  78  23.423  -7.394  -0.712
  578    H    LEU  79           H        LEU  79  22.861  -5.925   2.031
  579    HA   LEU  79           HA       LEU  79  24.556  -3.795   0.873
  580    HB2  LEU  79           HB2      LEU  79  23.358  -3.803   3.680
  581    HB3  LEU  79           HB3      LEU  79  24.869  -2.962   3.277
  582    HG   LEU  79           HG       LEU  79  23.380  -1.904   1.331
  583   HD11  LEU  79          HD11      LEU  79  21.257  -3.130   2.050
  584   HD12  LEU  79          HD12      LEU  79  21.255  -2.146   3.510
  585   HD13  LEU  79          HD13      LEU  79  21.135  -1.374   1.920
  586   HD21  LEU  79          HD21      LEU  79  23.272  -0.900   4.212
  587   HD22  LEU  79          HD22      LEU  79  24.612  -0.662   3.083
  588   HD23  LEU  79          HD23      LEU  79  23.038   0.067   2.737
  589    H    CYS  80           H        CYS  80  24.693  -6.501   0.578
  590    HA   CYS  80           HA       CYS  80  26.614  -7.560   2.585
  591    HB2  CYS  80           HB2      CYS  80  25.068  -9.038   0.372
  592    HB3  CYS  80           HB3      CYS  80  26.072  -9.744   1.635
  593    HG   CYS  80           HG       CYS  80  23.126  -8.453   1.629
  594    H    GLY  81           H        GLY  81  26.965  -5.560   0.129
  595    HA2  GLY  81           HA2      GLY  81  28.839  -5.083  -1.100
  596    HA3  GLY  81           HA3      GLY  81  29.598  -6.590  -0.583
  597    H    CYS  82           H        CYS  82  26.426  -6.785  -1.916
  598    HA   CYS  82           HA       CYS  82  25.508  -7.859  -3.623
  599    HB2  CYS  82           HB2      CYS  82  26.541  -5.717  -4.616
  600    HB3  CYS  82           HB3      CYS  82  27.701  -6.792  -5.408
  601    HG   CYS  82           HG       CYS  82  25.877  -6.104  -7.129
  602    H    GLY  83           H        GLY  83  28.852  -8.808  -3.118
  603    HA2  GLY  83           HA2      GLY  83  29.055 -10.923  -4.967
  604    HA3  GLY  83           HA3      GLY  83  29.950 -10.763  -3.444
  605    H    VAL  84           H        VAL  84  27.414 -10.785  -1.852
  606    HA   VAL  84           HA       VAL  84  27.148 -13.598  -1.391
  607    HB   VAL  84           HB       VAL  84  25.439 -11.287  -0.420
  608   HG11  VAL  84          HG11      VAL  84  25.592 -14.204   0.476
  609   HG12  VAL  84          HG12      VAL  84  24.731 -12.905   1.347
  610   HG13  VAL  84          HG13      VAL  84  24.198 -13.396  -0.259
  611   HG21  VAL  84          HG21      VAL  84  27.712 -11.034   0.364
  612   HG22  VAL  84          HG22      VAL  84  26.804 -11.758   1.703
  613   HG23  VAL  84          HG23      VAL  84  27.860 -12.769   0.711
  614    H    ASN  85           H        ASN  85  26.159 -14.976  -2.589
  615    HA   ASN  85           HA       ASN  85  24.338 -14.351  -4.752
  616    HB2  ASN  85           HB2      ASN  85  25.588 -16.311  -5.116
  617    HB3  ASN  85           HB3      ASN  85  25.483 -16.838  -3.443
  618   HD21  ASN  85          HD22      ASN  85  23.650 -17.964  -2.688
  619   HD22  ASN  85          HD21      ASN  85  22.480 -18.663  -3.790
  620    H    LEU  86           H        LEU  86  22.115 -14.472  -4.674
  621    HA   LEU  86           HA       LEU  86  20.812 -15.003  -2.044
  622    HB2  LEU  86           HB2      LEU  86  19.837 -13.002  -4.099
  623    HB3  LEU  86           HB3      LEU  86  19.185 -13.308  -2.495
  624    HG   LEU  86           HG       LEU  86  21.871 -12.010  -3.124
  625   HD11  LEU  86          HD11      LEU  86  19.912 -10.608  -3.659
  626   HD12  LEU  86          HD12      LEU  86  19.303 -10.811  -2.001
  627   HD13  LEU  86          HD13      LEU  86  20.829  -9.952  -2.297
  628   HD21  LEU  86          HD21      LEU  86  20.523 -12.276  -0.405
  629   HD22  LEU  86          HD22      LEU  86  21.928 -13.218  -0.918
  630   HD23  LEU  86          HD23      LEU  86  22.068 -11.465  -0.753
  631    HA   PRO  87           HA       PRO  87  18.657 -18.169  -4.399
  632    HB2  PRO  87           HB2      PRO  87  16.248 -17.327  -2.820
  633    HB3  PRO  87           HB3      PRO  87  16.886 -18.973  -3.088
  634    HG2  PRO  87           HG2      PRO  87  17.274 -17.633  -0.735
  635    HG3  PRO  87           HG3      PRO  87  18.548 -18.690  -1.432
  636    HD2  PRO  87           HD2      PRO  87  18.406 -15.694  -1.401
  637    HD3  PRO  87           HD3      PRO  87  19.819 -16.779  -1.351
  638    HA   PRO  88           HA       PRO  88  16.852 -16.091  -7.635
  639    HB2  PRO  88           HB2      PRO  88  14.890 -17.737  -8.762
  640    HB3  PRO  88           HB3      PRO  88  16.662 -17.958  -8.918
  641    HG2  PRO  88           HG2      PRO  88  14.782 -19.261  -6.934
  642    HG3  PRO  88           HG3      PRO  88  16.070 -20.033  -7.908
  643    HD2  PRO  88           HD2      PRO  88  16.482 -19.356  -5.321
  644    HD3  PRO  88           HD3      PRO  88  17.777 -19.110  -6.530
  645    H    GLU  89           H        GLU  89  14.392 -16.851  -5.173
  646    HA   GLU  89           HA       GLU  89  12.342 -15.251  -6.347
  647    HB2  GLU  89           HB2      GLU  89  11.467 -15.118  -4.044
  648    HB3  GLU  89           HB3      GLU  89  11.636 -16.746  -4.680
  649    HG2  GLU  89           HG2      GLU  89  13.872 -15.666  -2.971
  650    HG3  GLU  89           HG3      GLU  89  12.344 -16.030  -2.188
  651    H    TRP  90           H        TRP  90  15.274 -14.471  -4.652
  652    HA   TRP  90           HA       TRP  90  14.561 -11.803  -3.884
  653    HB2  TRP  90           HB2      TRP  90  17.237 -13.173  -4.237
  654    HB3  TRP  90           HB3      TRP  90  17.055 -11.542  -3.632
  655    HD1  TRP  90           HD1      TRP  90  16.147 -15.147  -2.620
  656    HE1  TRP  90           HE1      TRP  90  15.885 -15.290  -0.070
  657    HE3  TRP  90           HE3      TRP  90  16.792 -10.233  -1.471
  658    HZ2  TRP  90           HZ2      TRP  90  15.597 -13.451   2.121
  659    HZ3  TRP  90           HZ3      TRP  90  16.420  -9.408   0.836
  660    HH2  TRP  90           HH2      TRP  90  15.820 -11.043   2.662
  661    H    VAL  91           H        VAL  91  15.046 -13.074  -7.079
  662    HA   VAL  91           HA       VAL  91  15.819 -10.369  -7.964
  663    HB   VAL  91           HB       VAL  91  16.785 -11.329  -9.921
  664   HG11  VAL  91          HG11      VAL  91  17.942 -12.667  -7.433
  665   HG12  VAL  91          HG12      VAL  91  18.818 -12.184  -8.901
  666   HG13  VAL  91          HG13      VAL  91  18.134 -10.958  -7.822
  667   HG21  VAL  91          HG21      VAL  91  16.568 -14.107  -8.767
  668   HG22  VAL  91          HG22      VAL  91  15.463 -13.491 -10.026
  669   HG23  VAL  91          HG23      VAL  91  17.204 -13.617 -10.333
  670    H    THR  92           H        THR  92  13.147 -12.544  -7.981
  671    HA   THR  92           HA       THR  92  12.044 -11.590 -10.493
  672    HB   THR  92           HB       THR  92  10.069 -12.950  -9.645
  673    HG1  THR  92           HG1      THR  92  10.292 -14.017  -7.736
  674   HG21  THR  92          HG21      THR  92  11.286 -15.100  -9.886
  675   HG22  THR  92          HG22      THR  92  11.880 -13.908 -11.059
  676   HG23  THR  92          HG23      THR  92  12.837 -14.267  -9.610
  677    H    GLN  93           H        GLN  93  12.205 -10.417  -7.349
  678    HA   GLN  93           HA       GLN  93  10.146  -8.831  -6.663
  679    HB2  GLN  93           HB2      GLN  93  13.148  -8.298  -6.726
  680    HB3  GLN  93           HB3      GLN  93  11.993  -7.548  -5.608
  681    HG2  GLN  93           HG2      GLN  93  12.808 -10.474  -5.660
  682    HG3  GLN  93           HG3      GLN  93  13.314  -9.270  -4.510
  683   HE21  GLN  93          HE22      GLN  93  11.101 -11.699  -5.046
  684   HE22  GLN  93          HE21      GLN  93   9.984 -11.235  -3.754
  685    H    GLU  94           H        GLU  94   9.782  -6.529  -6.881
  686    HA   GLU  94           HA       GLU  94   9.844  -5.377  -9.487
  687    HB2  GLU  94           HB2      GLU  94   7.989  -4.779  -8.200
  688    HB3  GLU  94           HB3      GLU  94   8.914  -4.655  -6.700
  689    HG2  GLU  94           HG2      GLU  94   9.881  -2.662  -7.227
  690    HG3  GLU  94           HG3      GLU  94   9.327  -2.682  -8.912
  691    H    ILE  95           H        ILE  95  11.713  -5.170  -6.450
  692    HA   ILE  95           HA       ILE  95  13.904  -3.874  -8.024
  693    HB   ILE  95           HB       ILE  95  13.101  -3.267  -5.189
  694   HG12  ILE  95          HG12      ILE  95  11.923  -1.905  -6.788
  695   HG13  ILE  95          HG13      ILE  95  13.065  -0.961  -5.803
  696   HG21  ILE  95          HG21      ILE  95  15.494  -3.397  -5.071
  697   HG22  ILE  95          HG22      ILE  95  15.703  -2.554  -6.626
  698   HG23  ILE  95          HG23      ILE  95  15.120  -1.676  -5.211
  699   HD11  ILE  95          HD11      ILE  95  13.505  -1.789  -8.708
  700   HD12  ILE  95          HD12      ILE  95  12.950  -0.204  -8.153
  701   HD13  ILE  95          HD13      ILE  95  14.580  -0.763  -7.724
  702    H    PHE  96           H        PHE  96  15.823  -4.839  -7.817
  703    HA   PHE  96           HA       PHE  96  16.460  -6.394  -5.408
  704    HB2  PHE  96           HB2      PHE  96  16.197  -8.266  -6.856
  705    HB3  PHE  96           HB3      PHE  96  16.892  -7.413  -8.231
  706    HD1  PHE  96           HD2      PHE  96  18.250  -7.531  -4.686
  707    HD2  PHE  96           HD1      PHE  96  18.845  -8.637  -8.822
  708    HE1  PHE  96           HE2      PHE  96  20.611  -8.034  -4.201
  709    HE2  PHE  96           HE1      PHE  96  21.190  -9.244  -8.293
  710    HZ   PHE  96           HZ       PHE  96  22.085  -8.939  -5.999
  711    H    GLU  97           H        GLU  97  18.104  -5.175  -4.636
  712    HA   GLU  97           HA       GLU  97  20.122  -4.166  -6.491
  713    HB2  GLU  97           HB2      GLU  97  18.073  -2.445  -5.362
  714    HB3  GLU  97           HB3      GLU  97  19.604  -2.063  -4.573
  715    HG2  GLU  97           HG2      GLU  97  19.212  -2.199  -7.590
  716    HG3  GLU  97           HG3      GLU  97  19.060  -0.733  -6.630
  717    H    ASP  98           H        ASP  98  21.970  -3.340  -5.217
  718    HA   ASP  98           HA       ASP  98  22.050  -4.134  -2.449
  719    HB2  ASP  98           HB2      ASP  98  22.939  -6.182  -3.458
  720    HB3  ASP  98           HB3      ASP  98  24.104  -5.222  -4.387
  721    H    TRP  99           H        TRP  99  23.160  -2.544  -1.359
  722    HA   TRP  99           HA       TRP  99  24.224  -0.348  -3.049
  723    HB2  TRP  99           HB2      TRP  99  23.061  -0.338  -0.227
  724    HB3  TRP  99           HB3      TRP  99  23.668   1.082  -1.063
  725    HD1  TRP  99           HD1      TRP  99  22.261  -0.194  -3.888
  726    HE1  TRP  99           HE1      TRP  99  19.837   0.439  -4.305
  727    HE3  TRP  99           HE3      TRP  99  20.951   1.205   0.886
  728    HZ2  TRP  99           HZ2      TRP  99  17.544   1.126  -2.740
  729    HZ3  TRP  99           HZ3      TRP  99  18.577   1.898   1.349
  730    HH2  TRP  99           HH2      TRP  99  16.884   1.771  -0.432
  731    H    GLN 100           H        GLN 100  25.506  -2.723  -1.729
  732    HA   GLN 100           HA       GLN 100  27.279  -3.472  -0.570
  733    HB2  GLN 100           HB2      GLN 100  28.663  -1.081  -1.870
  734    HB3  GLN 100           HB3      GLN 100  29.455  -2.446  -1.095
  735    HG2  GLN 100           HG2      GLN 100  29.611  -2.869  -3.391
  736    HG3  GLN 100           HG3      GLN 100  28.346  -3.954  -2.831
  737   HE21  GLN 100          HE21      GLN 100  26.271  -3.733  -3.640
  738   HE22  GLN 100          HE22      GLN 100  25.805  -2.576  -4.853
  739    H    LEU 101           H        LEU 101  27.693  -0.003  -0.374
  740    HA   LEU 101           HA       LEU 101  28.610   1.435   0.990
  741    HB2  LEU 101           HB2      LEU 101  25.992   0.660   1.886
  742    HB3  LEU 101           HB3      LEU 101  26.911   1.161   3.288
  743    HG   LEU 101           HG       LEU 101  25.606   3.001   2.325
  744   HD11  LEU 101          HD11      LEU 101  27.683   3.596   3.491
  745   HD12  LEU 101          HD12      LEU 101  28.607   3.467   1.962
  746   HD13  LEU 101          HD13      LEU 101  27.366   4.703   2.162
  747   HD21  LEU 101          HD21      LEU 101  26.132   4.028   0.185
  748   HD22  LEU 101          HD22      LEU 101  27.285   2.738  -0.198
  749   HD23  LEU 101          HD23      LEU 101  25.555   2.365  -0.019
  750    H    GLU 102           H        GLU 102  28.848   1.858   3.647
  751    HA   GLU 102           HA       GLU 102  31.473   0.906   3.900
  752    HB2  GLU 102           HB2      GLU 102  29.618   2.786   5.269
  753    HB3  GLU 102           HB3      GLU 102  30.815   2.083   6.373
  754    HG2  GLU 102           HG2      GLU 102  31.422   3.386   3.712
  755    HG3  GLU 102           HG3      GLU 102  31.600   4.160   5.297
  756    H    ASP 103           H        ASP 103  32.262   0.340   6.159
  757    HA   ASP 103           HA       ASP 103  31.078  -2.305   6.989
  758    HB2  ASP 103           HB2      ASP 103  32.769  -2.415   5.111
  759    HB3  ASP 103           HB3      ASP 103  33.963  -1.713   6.188
  760    HA   PRO 104           HA       PRO 104  32.403   0.507  10.369
  761    HB2  PRO 104           HB2      PRO 104  30.081   0.992  11.740
  762    HB3  PRO 104           HB3      PRO 104  30.419   1.742  10.162
  763    HG2  PRO 104           HG2      PRO 104  28.845  -0.814  10.683
  764    HG3  PRO 104           HG3      PRO 104  28.342   0.621   9.735
  765    HD2  PRO 104           HD2      PRO 104  29.466  -1.586   8.557
  766    HD3  PRO 104           HD3      PRO 104  29.775   0.079   7.967
  767    H    ASP 105           H        ASP 105  33.369  -1.920  10.645
  768    HA   ASP 105           HA       ASP 105  32.186  -3.874  12.271
  769    HB2  ASP 105           HB2      ASP 105  34.417  -4.033  10.963
  770    HB3  ASP 105           HB3      ASP 105  35.163  -3.159  12.275
  771    H    GLY 106           H        GLY 106  34.214  -1.219  13.199
  772    HA2  GLY 106           HA2      GLY 106  33.127  -0.969  15.919
  773    HA3  GLY 106           HA3      GLY 106  34.813  -1.532  15.838
  774    H    GLN 107           H        GLN 107  32.962   0.772  13.816
  775    HA   GLN 107           HA       GLN 107  35.256   2.421  13.399
  776    HB2  GLN 107           HB2      GLN 107  32.363   2.352  12.551
  777    HB3  GLN 107           HB3      GLN 107  33.158   3.896  12.397
  778    HG2  GLN 107           HG2      GLN 107  34.324   1.332  11.292
  779    HG3  GLN 107           HG3      GLN 107  33.253   2.435  10.392
  780   HE21  GLN 107          HE21      GLN 107  34.992   2.495   8.811
  781   HE22  GLN 107          HE22      GLN 107  36.313   3.625   9.056
  782    H    SER 108           H        SER 108  34.993   4.789  13.352
  783    HA   SER 108           HA       SER 108  34.745   5.898  16.013
  784    HB2  SER 108           HB2      SER 108  35.147   8.060  14.763
  785    HB3  SER 108           HB3      SER 108  36.380   6.816  14.481
  786    HG   SER 108           HG       SER 108  35.818   7.674  12.502
  787    H    LEU 109           H        LEU 109  33.138   7.605  16.563
  788    HA   LEU 109           HA       LEU 109  30.465   7.038  15.752
  789    HB2  LEU 109           HB2      LEU 109  31.583   9.586  16.972
  790    HB3  LEU 109           HB3      LEU 109  29.876   9.220  16.755
  791    HG   LEU 109           HG       LEU 109  31.820   7.870  18.647
  792   HD11  LEU 109          HD11      LEU 109  30.204   8.651  20.341
  793   HD12  LEU 109          HD12      LEU 109  30.807  10.001  19.371
  794   HD13  LEU 109          HD13      LEU 109  29.180   9.353  19.070
  795   HD21  LEU 109          HD21      LEU 109  29.873   6.444  19.375
  796   HD22  LEU 109          HD22      LEU 109  29.009   6.955  17.905
  797   HD23  LEU 109          HD23      LEU 109  30.512   6.023  17.788
  798    H    GLU 110           H        GLU 110  32.935   9.195  14.411
  799    HA   GLU 110           HA       GLU 110  31.153  10.765  12.811
  800    HB2  GLU 110           HB2      GLU 110  34.105  10.078  12.453
  801    HB3  GLU 110           HB3      GLU 110  33.209  11.260  11.469
  802    HG2  GLU 110           HG2      GLU 110  32.540  12.436  13.547
  803    HG3  GLU 110           HG3      GLU 110  33.585  11.348  14.474
  804    H    VAL 111           H        VAL 111  32.954   7.688  12.038
  805    HA   VAL 111           HA       VAL 111  31.821   7.757   9.405
  806    HB   VAL 111           HB       VAL 111  33.121   5.517  10.976
  807   HG11  VAL 111          HG11      VAL 111  33.262   4.250   8.802
  808   HG12  VAL 111          HG12      VAL 111  31.633   4.361   9.436
  809   HG13  VAL 111          HG13      VAL 111  32.153   5.422   8.094
  810   HG21  VAL 111          HG21      VAL 111  34.614   7.374  10.232
  811   HG22  VAL 111          HG22      VAL 111  34.990   5.875   9.373
  812   HG23  VAL 111          HG23      VAL 111  34.058   7.146   8.565
  813    H    PHE 112           H        PHE 112  30.836   6.133  12.486
  814    HA   PHE 112           HA       PHE 112  28.529   4.844  11.628
  815    HB2  PHE 112           HB2      PHE 112  29.590   5.985  14.107
  816    HB3  PHE 112           HB3      PHE 112  27.883   6.135  14.057
  817    HD1  PHE 112           HD1      PHE 112  26.419   4.064  13.972
  818    HD2  PHE 112           HD2      PHE 112  30.717   3.869  14.220
  819    HE1  PHE 112           HE1      PHE 112  26.262   1.743  14.853
  820    HE2  PHE 112           HE2      PHE 112  30.559   1.518  15.045
  821    HZ   PHE 112           HZ       PHE 112  28.334   0.471  15.382
  822    H    ARG 113           H        ARG 113  28.783   8.343  12.518
  823    HA   ARG 113           HA       ARG 113  26.082   9.059  11.838
  824    HB2  ARG 113           HB2      ARG 113  28.664  10.721  11.779
  825    HB3  ARG 113           HB3      ARG 113  27.070  11.391  11.505
  826    HG2  ARG 113           HG2      ARG 113  26.395  10.659  13.820
  827    HG3  ARG 113           HG3      ARG 113  28.066  10.161  14.106
  828    HD2  ARG 113           HD2      ARG 113  28.869  12.459  13.678
  829    HD3  ARG 113           HD3      ARG 113  27.223  12.981  13.346
  830    HE   ARG 113           HE       ARG 113  26.628  12.833  15.592
  831   HH11  ARG 113          HH11      ARG 113  30.078  11.999  15.232
  832   HH12  ARG 113          HH12      ARG 113  30.445  12.312  16.889
  833   HH21  ARG 113          HH21      ARG 113  27.105  13.242  17.722
  834   HH22  ARG 113          HH22      ARG 113  28.703  12.996  18.366
  835    H    THR 114           H        THR 114  29.095   9.181   9.883
  836    HA   THR 114           HA       THR 114  27.893  10.518   7.700
  837    HB   THR 114           HB       THR 114  30.353   8.713   7.823
  838    HG1  THR 114           HG1      THR 114  30.634  10.415   9.174
  839   HG21  THR 114          HG21      THR 114  29.764   8.989   5.492
  840   HG22  THR 114          HG22      THR 114  29.533  10.739   5.696
  841   HG23  THR 114          HG23      THR 114  31.156  10.024   5.848
  842    H    VAL 115           H        VAL 115  28.495   7.046   8.302
  843    HA   VAL 115           HA       VAL 115  27.630   6.025   5.801
  844    HB   VAL 115           HB       VAL 115  27.747   4.838   8.594
  845   HG11  VAL 115          HG11      VAL 115  27.724   2.615   7.419
  846   HG12  VAL 115          HG12      VAL 115  26.164   3.449   7.345
  847   HG13  VAL 115          HG13      VAL 115  27.225   3.439   5.921
  848   HG21  VAL 115          HG21      VAL 115  29.815   3.817   7.618
  849   HG22  VAL 115          HG22      VAL 115  29.500   4.733   6.100
  850   HG23  VAL 115          HG23      VAL 115  29.906   5.570   7.559
  851    H    ARG 116           H        ARG 116  25.785   6.703   8.848
  852    HA   ARG 116           HA       ARG 116  23.237   5.880   7.935
  853    HB2  ARG 116           HB2      ARG 116  23.238   6.293  10.156
  854    HB3  ARG 116           HB3      ARG 116  24.336   7.642  10.087
  855    HG2  ARG 116           HG2      ARG 116  21.584   8.116   8.996
  856    HG3  ARG 116           HG3      ARG 116  21.702   7.874  10.715
  857    HD2  ARG 116           HD2      ARG 116  23.561   9.824   9.353
  858    HD3  ARG 116           HD3      ARG 116  21.877  10.285   9.728
  859    HE   ARG 116           HE       ARG 116  22.694   9.331  12.113
  860   HH11  ARG 116          HH21      ARG 116  24.237  11.705   9.933
  861   HH12  ARG 116          HH22      ARG 116  24.653  12.794  11.200
  862   HH21  ARG 116          HH11      ARG 116  23.278  10.734  13.766
  863   HH22  ARG 116          HH12      ARG 116  24.188  12.195  13.448
  864    H    GLY 117           H        GLY 117  24.767   9.148   7.479
  865    HA2  GLY 117           HA2      GLY 117  22.502  10.145   6.045
  866    HA3  GLY 117           HA3      GLY 117  24.157  10.806   5.963
  867    H    GLN 118           H        GLN 118  25.462   8.475   4.877
  868    HA   GLN 118           HA       GLN 118  24.891   8.800   2.122
  869    HB2  GLN 118           HB2      GLN 118  26.441   6.640   3.604
  870    HB3  GLN 118           HB3      GLN 118  26.463   6.844   1.840
  871    HG2  GLN 118           HG2      GLN 118  27.326   9.111   2.051
  872    HG3  GLN 118           HG3      GLN 118  27.238   9.053   3.797
  873   HE21  GLN 118          HE22      GLN 118  29.634   9.401   1.907
  874   HE22  GLN 118          HE21      GLN 118  30.770   8.189   2.451
  875    H    VAL 119           H        VAL 119  23.930   6.309   4.441
  876    HA   VAL 119           HA       VAL 119  22.468   4.647   2.602
  877    HB   VAL 119           HB       VAL 119  22.217   5.120   5.601
  878   HG11  VAL 119          HG11      VAL 119  20.042   4.327   4.849
  879   HG12  VAL 119          HG12      VAL 119  20.816   2.993   3.965
  880   HG13  VAL 119          HG13      VAL 119  20.908   3.088   5.751
  881   HG21  VAL 119          HG21      VAL 119  24.323   3.956   4.706
  882   HG22  VAL 119          HG22      VAL 119  23.339   2.955   5.789
  883   HG23  VAL 119          HG23      VAL 119  23.274   2.707   4.031
  884    H    LYS 120           H        LYS 120  21.561   7.609   4.476
  885    HA   LYS 120           HA       LYS 120  18.819   7.447   3.986
  886    HB2  LYS 120           HB2      LYS 120  18.628   9.387   5.017
  887    HB3  LYS 120           HB3      LYS 120  20.281   9.088   5.456
  888    HG2  LYS 120           HG2      LYS 120  20.979  11.009   4.637
  889    HG3  LYS 120           HG3      LYS 120  20.337  10.722   3.051
  890    HD2  LYS 120           HD2      LYS 120  18.710  11.716   5.439
  891    HD3  LYS 120           HD3      LYS 120  19.406  12.776   4.223
  892    HE2  LYS 120           HE2      LYS 120  17.609  10.532   3.240
  893    HE3  LYS 120           HE3      LYS 120  16.848  11.854   4.127
  894    HZ1  LYS 120           HZ1      LYS 120  16.891  12.275   1.751
  895    HZ2  LYS 120           HZ2      LYS 120  17.746  13.423   2.546
  896    HZ3  LYS 120           HZ3      LYS 120  18.538  12.248   1.713
  897    H    GLU 121           H        GLU 121  21.346   8.852   1.892
  898    HA   GLU 121           HA       GLU 121  19.468   9.711  -0.104
  899    HB2  GLU 121           HB2      GLU 121  22.437   9.001  -0.333
  900    HB3  GLU 121           HB3      GLU 121  21.492   9.728  -1.633
  901    HG2  GLU 121           HG2      GLU 121  22.086  10.986   1.073
  902    HG3  GLU 121           HG3      GLU 121  22.812  11.404  -0.479
  903    H    ARG 122           H        ARG 122  21.286   6.599   0.318
  904    HA   ARG 122           HA       ARG 122  20.379   5.610  -2.261
  905    HB2  ARG 122           HB2      ARG 122  21.435   4.152   0.205
  906    HB3  ARG 122           HB3      ARG 122  20.817   3.349  -1.237
  907    HG2  ARG 122           HG2      ARG 122  23.114   3.364  -1.544
  908    HG3  ARG 122           HG3      ARG 122  22.435   4.562  -2.654
  909    HD2  ARG 122           HD2      ARG 122  23.092   6.343  -1.023
  910    HD3  ARG 122           HD3      ARG 122  23.864   5.086  -0.014
  911    HE   ARG 122           HE       ARG 122  25.001   4.727  -2.488
  912   HH11  ARG 122          HH11      ARG 122  24.668   7.568  -0.371
  913   HH12  ARG 122          HH12      ARG 122  26.077   8.369  -0.998
  914   HH21  ARG 122          HH21      ARG 122  26.897   5.780  -3.288
  915   HH22  ARG 122          HH22      ARG 122  27.388   7.308  -2.652
  916    H    VAL 123           H        VAL 123  19.038   5.217   1.068
  917    HA   VAL 123           HA       VAL 123  16.761   3.748   0.418
  918    HB   VAL 123           HB       VAL 123  17.190   5.941   2.427
  919   HG11  VAL 123          HG11      VAL 123  15.314   4.779   3.654
  920   HG12  VAL 123          HG12      VAL 123  14.860   5.790   2.287
  921   HG13  VAL 123          HG13      VAL 123  14.903   4.014   2.103
  922   HG21  VAL 123          HG21      VAL 123  17.577   4.161   4.036
  923   HG22  VAL 123          HG22      VAL 123  17.105   2.917   2.869
  924   HG23  VAL 123          HG23      VAL 123  18.629   3.809   2.671
  925    H    GLU 124           H        GLU 124  17.111   7.339   0.419
  926    HA   GLU 124           HA       GLU 124  14.483   7.779  -0.461
  927    HB2  GLU 124           HB2      GLU 124  15.880   9.318   0.693
  928    HB3  GLU 124           HB3      GLU 124  16.958   9.485  -0.731
  929    HG2  GLU 124           HG2      GLU 124  15.050  10.364  -2.024
  930    HG3  GLU 124           HG3      GLU 124  13.989  10.158  -0.601
  931    H    ASN 125           H        ASN 125  17.423   7.163  -2.361
  932    HA   ASN 125           HA       ASN 125  16.304   7.683  -4.920
  933    HB2  ASN 125           HB2      ASN 125  18.599   5.987  -3.948
  934    HB3  ASN 125           HB3      ASN 125  18.018   5.784  -5.588
  935   HD21  ASN 125          HD22      ASN 125  19.367   8.254  -3.356
  936   HD22  ASN 125          HD21      ASN 125  19.975   9.297  -4.629
  937    H    LEU 126           H        LEU 126  16.389   4.646  -2.989
  938    HA   LEU 126           HA       LEU 126  14.951   3.032  -4.877
  939    HB2  LEU 126           HB2      LEU 126  15.645   1.612  -3.399
  940    HB3  LEU 126           HB3      LEU 126  15.746   2.813  -2.084
  941    HG   LEU 126           HG       LEU 126  13.026   1.797  -2.753
  942   HD11  LEU 126          HD11      LEU 126  14.214  -0.272  -3.031
  943   HD12  LEU 126          HD12      LEU 126  14.985  -0.024  -1.425
  944   HD13  LEU 126          HD13      LEU 126  13.242  -0.273  -1.563
  945   HD21  LEU 126          HD21      LEU 126  12.755   1.770  -0.337
  946   HD22  LEU 126          HD22      LEU 126  14.511   1.969  -0.102
  947   HD23  LEU 126          HD23      LEU 126  13.556   3.287  -0.784
  948    H    ILE 127           H        ILE 127  13.864   5.105  -2.251
  949    HA   ILE 127           HA       ILE 127  11.052   4.645  -2.598
  950    HB   ILE 127           HB       ILE 127  12.875   6.671  -1.361
  951   HG12  ILE 127          HG12      ILE 127  10.509   5.548   0.070
  952   HG13  ILE 127          HG13      ILE 127  11.615   4.326  -0.552
  953   HG21  ILE 127          HG21      ILE 127  11.342   8.264  -2.164
  954   HG22  ILE 127          HG22      ILE 127   9.947   7.283  -1.671
  955   HG23  ILE 127          HG23      ILE 127  11.012   8.008  -0.445
  956   HD11  ILE 127          HD11      ILE 127  13.351   4.973   0.732
  957   HD12  ILE 127          HD12      ILE 127  12.859   6.659   0.911
  958   HD13  ILE 127          HD13      ILE 127  11.998   5.348   1.813
  959    H    ALA 128           H        ALA 128  13.275   7.052  -4.126
  960    HA   ALA 128           HA       ALA 128  11.237   8.427  -5.462
  961    HB1  ALA 128           HB1      ALA 128  13.551   9.307  -5.189
  962    HB2  ALA 128           HB2      ALA 128  14.143   8.096  -6.353
  963    HB3  ALA 128           HB3      ALA 128  13.025   9.361  -6.883
  964    H    LYS 129           H        LYS 129  12.977   5.485  -6.478
  965    HA   LYS 129           HA       LYS 129  11.571   5.504  -8.994
  966    HB2  LYS 129           HB2      LYS 129  12.491   3.239  -9.367
  967    HB3  LYS 129           HB3      LYS 129  13.662   4.553  -9.142
  968    HG2  LYS 129           HG2      LYS 129  13.805   3.726  -6.710
  969    HG3  LYS 129           HG3      LYS 129  12.992   2.264  -7.275
  970    HD2  LYS 129           HD2      LYS 129  15.682   3.452  -8.019
  971    HD3  LYS 129           HD3      LYS 129  15.369   1.910  -7.207
  972    HE2  LYS 129           HE2      LYS 129  14.390   0.993  -9.301
  973    HE3  LYS 129           HE3      LYS 129  14.585   2.553 -10.102
  974    HZ1  LYS 129           HZ1      LYS 129  16.371   1.058 -10.709
  975    HZ2  LYS 129           HZ2      LYS 129  16.996   2.324  -9.898
  976    HZ3  LYS 129           HZ3      LYS 129  16.852   0.869  -9.157
  977    H    ILE 130           H        ILE 130  10.967   3.861  -5.825
  978    HA   ILE 130           HA       ILE 130   8.856   2.387  -7.140
  979    HB   ILE 130           HB       ILE 130   8.595   1.281  -5.050
  980   HG12  ILE 130          HG12      ILE 130  10.560   3.057  -3.820
  981   HG13  ILE 130          HG13      ILE 130   8.972   2.607  -3.289
  982   HG21  ILE 130          HG21      ILE 130  10.393  -0.142  -5.381
  983   HG22  ILE 130          HG22      ILE 130  10.204   0.653  -6.929
  984   HG23  ILE 130          HG23      ILE 130  11.497   1.209  -5.848
  985   HD11  ILE 130          HD11      ILE 130  10.686   1.451  -1.966
  986   HD12  ILE 130          HD12      ILE 130   9.745   0.263  -2.915
  987   HD13  ILE 130          HD13      ILE 130  11.365   0.722  -3.430
  988    H    SER 131           H        SER 131   8.861   5.014  -4.710
  989    HA   SER 131           HA       SER 131   6.212   4.500  -3.878
  990    HB2  SER 131           HB2      SER 131   7.906   7.020  -3.720
  991    HB3  SER 131           HB3      SER 131   6.384   6.746  -2.860
  992    HG   SER 131           HG       SER 131   8.094   6.112  -1.494
  Start of MODEL   16
    1    H    MET   1           H        MET   1   1.455  -1.809   2.998
    2    HA   MET   1           HA       MET   1   0.972  -0.836   0.257
    3    HB2  MET   1           HB2      MET   1   1.022   0.845   2.279
    4    HB3  MET   1           HB3      MET   1   2.753   0.529   2.337
    5    HG2  MET   1           HG2      MET   1   2.219   2.554   1.084
    6    HG3  MET   1           HG3      MET   1   2.973   1.367   0.030
    7    HE1  MET   1           HE1      MET   1   2.119   3.050  -2.012
    8    HE2  MET   1           HE2      MET   1   0.418   3.516  -2.201
    9    HE3  MET   1           HE3      MET   1   1.334   4.071  -0.782
   10    H    LYS   2           H        LYS   2   3.114  -0.668  -1.061
   11    HA   LYS   2           HA       LYS   2   4.264  -3.119  -1.301
   12    HB2  LYS   2           HB2      LYS   2   5.942  -0.659  -1.963
   13    HB3  LYS   2           HB3      LYS   2   6.000  -2.232  -2.676
   14    HG2  LYS   2           HG2      LYS   2   4.879  -1.166  -4.324
   15    HG3  LYS   2           HG3      LYS   2   3.538  -1.792  -3.391
   16    HD2  LYS   2           HD2      LYS   2   2.842   0.428  -3.768
   17    HD3  LYS   2           HD3      LYS   2   3.579   0.584  -2.194
   18    HE2  LYS   2           HE2      LYS   2   4.621   2.383  -3.090
   19    HE3  LYS   2           HE3      LYS   2   5.777   1.173  -3.676
   20    HZ1  LYS   2           HZ1      LYS   2   5.042   2.623  -5.469
   21    HZ2  LYS   2           HZ2      LYS   2   4.522   1.099  -5.791
   22    HZ3  LYS   2           HZ3      LYS   2   3.470   2.237  -5.239
   23    H    LYS   3           H        LYS   3   5.635  -4.372  -0.086
   24    HA   LYS   3           HA       LYS   3   6.810  -3.010   2.276
   25    HB2  LYS   3           HB2      LYS   3   6.599  -5.972   1.863
   26    HB3  LYS   3           HB3      LYS   3   6.847  -5.078   3.362
   27    HG2  LYS   3           HG2      LYS   3   4.549  -4.218   3.236
   28    HG3  LYS   3           HG3      LYS   3   4.311  -5.029   1.676
   29    HD2  LYS   3           HD2      LYS   3   3.235  -6.154   3.623
   30    HD3  LYS   3           HD3      LYS   3   4.267  -7.162   2.617
   31    HE2  LYS   3           HE2      LYS   3   6.082  -7.037   4.273
   32    HE3  LYS   3           HE3      LYS   3   5.127  -5.916   5.269
   33    HZ1  LYS   3           HZ1      LYS   3   4.963  -8.131   6.149
   34    HZ2  LYS   3           HZ2      LYS   3   3.495  -7.757   5.533
   35    HZ3  LYS   3           HZ3      LYS   3   4.507  -8.781   4.731
   36    H    VAL   4           H        VAL   4   8.885  -2.776   2.638
   37    HA   VAL   4           HA       VAL   4  10.754  -3.924   0.672
   38    HB   VAL   4           HB       VAL   4  11.254  -1.499   2.376
   39   HG11  VAL   4          HG11      VAL   4  13.314  -2.398   1.551
   40   HG12  VAL   4          HG12      VAL   4  12.633  -2.742  -0.028
   41   HG13  VAL   4          HG13      VAL   4  12.932  -1.053   0.468
   42   HG21  VAL   4          HG21      VAL   4  10.142  -1.619  -0.478
   43   HG22  VAL   4          HG22      VAL   4   9.366  -0.885   0.928
   44   HG23  VAL   4          HG23      VAL   4  10.820  -0.148   0.254
   45    H    MET   5           H        MET   5  12.844  -4.629   1.516
   46    HA   MET   5           HA       MET   5  12.915  -5.237   4.417
   47    HB2  MET   5           HB2      MET   5  12.016  -7.197   3.138
   48    HB3  MET   5           HB3      MET   5  13.489  -7.146   2.144
   49    HG2  MET   5           HG2      MET   5  13.653  -8.888   3.855
   50    HG3  MET   5           HG3      MET   5  14.894  -7.657   4.036
   51    HE1  MET   5           HE1      MET   5  11.100  -8.082   5.163
   52    HE2  MET   5           HE2      MET   5  12.001  -9.569   5.526
   53    HE3  MET   5           HE3      MET   5  11.378  -8.555   6.852
   54    H    PHE   6           H        PHE   6  14.998  -5.122   5.209
   55    HA   PHE   6           HA       PHE   6  17.222  -4.625   3.291
   56    HB2  PHE   6           HB2      PHE   6  16.686  -3.260   5.920
   57    HB3  PHE   6           HB3      PHE   6  18.168  -3.106   4.960
   58    HD1  PHE   6           HD1      PHE   6  14.600  -2.238   5.197
   59    HD2  PHE   6           HD2      PHE   6  18.116  -1.979   2.719
   60    HE1  PHE   6           HE1      PHE   6  13.405  -0.761   3.648
   61    HE2  PHE   6           HE2      PHE   6  16.938  -0.381   1.243
   62    HZ   PHE   6           HZ       PHE   6  14.597   0.289   1.730
   63    H    VAL   7           H        VAL   7  18.462  -6.505   3.458
   64    HA   VAL   7           HA       VAL   7  18.344  -8.148   5.933
   65    HB   VAL   7           HB       VAL   7  19.760  -8.899   3.371
   66   HG11  VAL   7          HG11      VAL   7  18.377 -10.649   5.408
   67   HG12  VAL   7          HG12      VAL   7  19.285 -11.162   3.973
   68   HG13  VAL   7          HG13      VAL   7  20.126 -10.358   5.291
   69   HG21  VAL   7          HG21      VAL   7  16.777  -9.279   3.834
   70   HG22  VAL   7          HG22      VAL   7  17.505  -8.274   2.570
   71   HG23  VAL   7          HG23      VAL   7  17.733 -10.020   2.531
   72    H    CYS   8           H        CYS   8  20.229  -8.406   7.260
   73    HA   CYS   8           HA       CYS   8  22.805  -7.419   6.070
   74    HB2  CYS   8           HB2      CYS   8  21.427  -6.152   8.001
   75    HB3  CYS   8           HB3      CYS   8  22.285  -7.264   9.040
   76    HG   CYS   8           HG       CYS   8  23.419  -4.762   8.703
   77    H    LYS   9           H        LYS   9  24.740  -8.215   6.972
   78    HA   LYS   9           HA       LYS   9  24.691 -10.540   8.788
   79    HB2  LYS   9           HB2      LYS   9  24.722 -11.251   6.290
   80    HB3  LYS   9           HB3      LYS   9  26.364 -10.601   6.233
   81    HG2  LYS   9           HG2      LYS   9  27.006 -12.202   8.062
   82    HG3  LYS   9           HG3      LYS   9  25.341 -12.800   8.102
   83    HD2  LYS   9           HD2      LYS   9  25.536 -13.485   5.718
   84    HD3  LYS   9           HD3      LYS   9  27.222 -12.956   5.692
   85    HE2  LYS   9           HE2      LYS   9  26.076 -15.116   7.534
   86    HE3  LYS   9           HE3      LYS   9  26.873 -15.438   5.995
   87    HZ1  LYS   9           HZ1      LYS   9  28.411 -15.709   7.810
   88    HZ2  LYS   9           HZ2      LYS   9  28.903 -14.450   6.899
   89    HZ3  LYS   9           HZ3      LYS   9  28.176 -14.187   8.351
   90    H    ARG  10           H        ARG  10  25.221  -7.751   9.227
   91    HA   ARG  10           HA       ARG  10  27.977  -7.608  10.105
   92    HB2  ARG  10           HB2      ARG  10  28.125  -7.133   7.622
   93    HB3  ARG  10           HB3      ARG  10  26.971  -5.822   7.813
   94    HG2  ARG  10           HG2      ARG  10  29.247  -5.001   7.533
   95    HG3  ARG  10           HG3      ARG  10  28.625  -4.508   9.069
   96    HD2  ARG  10           HD2      ARG  10  30.784  -5.164   9.611
   97    HD3  ARG  10           HD3      ARG  10  29.902  -6.629  10.023
   98    HE   ARG  10           HE       ARG  10  31.052  -6.311   7.286
   99   HH11  ARG  10          HH11      ARG  10  31.134  -8.250  10.301
  100   HH12  ARG  10          HH12      ARG  10  32.435  -9.234   9.750
  101   HH21  ARG  10          HH21      ARG  10  32.900  -7.391   6.743
  102   HH22  ARG  10          HH22      ARG  10  33.401  -8.820   7.607
  103    H    ASN  11           H        ASN  11  28.140  -5.006  10.778
  104    HA   ASN  11           HA       ASN  11  26.364  -4.475  12.830
  105    HB2  ASN  11           HB2      ASN  11  28.646  -3.397  12.296
  106    HB3  ASN  11           HB3      ASN  11  27.757  -2.289  11.248
  107   HD21  ASN  11          HD22      ASN  11  28.296  -3.398  14.543
  108   HD22  ASN  11          HD21      ASN  11  27.622  -1.959  15.333
  109    H    SER  12           H        SER  12  24.502  -3.193  13.093
  110    HA   SER  12           HA       SER  12  22.642  -3.237  10.936
  111    HB2  SER  12           HB2      SER  12  21.267  -2.062  12.774
  112    HB3  SER  12           HB3      SER  12  21.959  -3.654  13.172
  113    HG   SER  12           HG       SER  12  22.289  -2.044  14.829
  114    H    CYS  13           H        CYS  13  24.979  -0.797  11.913
  115    HA   CYS  13           HA       CYS  13  23.553   1.501  11.190
  116    HB2  CYS  13           HB2      CYS  13  25.741   2.614  11.064
  117    HB3  CYS  13           HB3      CYS  13  25.663   1.519  12.465
  118    HG   CYS  13           HG       CYS  13  28.037   1.289  11.570
  119    H    ARG  14           H        ARG  14  24.615  -0.942   8.960
  120    HA   ARG  14           HA       ARG  14  24.123   1.053   6.785
  121    HB2  ARG  14           HB2      ARG  14  25.069  -0.371   5.177
  122    HB3  ARG  14           HB3      ARG  14  26.196  -0.133   6.503
  123    HG2  ARG  14           HG2      ARG  14  25.773  -2.431   7.316
  124    HG3  ARG  14           HG3      ARG  14  24.595  -2.656   6.018
  125    HD2  ARG  14           HD2      ARG  14  26.535  -2.128   4.365
  126    HD3  ARG  14           HD3      ARG  14  27.639  -2.278   5.723
  127    HE   ARG  14           HE       ARG  14  25.715  -4.515   5.300
  128   HH11  ARG  14          HH11      ARG  14  28.953  -3.398   4.324
  129   HH12  ARG  14          HH12      ARG  14  29.696  -4.953   4.674
  130   HH21  ARG  14          HH21      ARG  14  26.564  -6.604   4.801
  131   HH22  ARG  14          HH22      ARG  14  28.279  -6.817   4.665
  132    H    SER  15           H        SER  15  22.703  -1.997   8.147
  133    HA   SER  15           HA       SER  15  20.756  -1.987   5.953
  134    HB2  SER  15           HB2      SER  15  20.209  -4.191   7.099
  135    HB3  SER  15           HB3      SER  15  21.879  -4.000   6.507
  136    HG   SER  15           HG       SER  15  21.128  -4.433   9.083
  137    H    GLN  16           H        GLN  16  20.483  -2.122   9.586
  138    HA   GLN  16           HA       GLN  16  17.613  -1.454   9.526
  139    HB2  GLN  16           HB2      GLN  16  18.770  -2.716  11.306
  140    HB3  GLN  16           HB3      GLN  16  19.547  -1.190  11.830
  141    HG2  GLN  16           HG2      GLN  16  17.267  -0.209  12.169
  142    HG3  GLN  16           HG3      GLN  16  16.561  -1.745  11.641
  143   HE21  GLN  16          HE22      GLN  16  16.350  -3.472  13.208
  144   HE22  GLN  16          HE21      GLN  16  16.899  -3.255  14.848
  145    H    MET  17           H        MET  17  20.672   0.405   9.390
  146    HA   MET  17           HA       MET  17  19.375   2.944   9.710
  147    HB2  MET  17           HB2      MET  17  21.821   2.735   9.699
  148    HB3  MET  17           HB3      MET  17  21.730   2.184   7.980
  149    HG2  MET  17           HG2      MET  17  22.374   4.516   8.089
  150    HG3  MET  17           HG3      MET  17  20.868   4.335   7.254
  151    HE1  MET  17           HE1      MET  17  18.429   5.886   8.377
  152    HE2  MET  17           HE2      MET  17  18.421   4.680   9.708
  153    HE3  MET  17           HE3      MET  17  18.541   6.421  10.055
  154    H    ALA  18           H        ALA  18  20.005   0.877   6.781
  155    HA   ALA  18           HA       ALA  18  18.873   2.705   4.980
  156    HB1  ALA  18           HB1      ALA  18  18.847  -0.351   4.815
  157    HB2  ALA  18           HB2      ALA  18  18.757   0.786   3.456
  158    HB3  ALA  18           HB3      ALA  18  20.239   0.667   4.439
  159    H    GLU  19           H        GLU  19  17.371   0.124   6.913
  160    HA   GLU  19           HA       GLU  19  14.687   0.535   6.173
  161    HB2  GLU  19           HB2      GLU  19  15.730  -1.324   7.491
  162    HB3  GLU  19           HB3      GLU  19  15.780  -0.268   8.899
  163    HG2  GLU  19           HG2      GLU  19  13.296  -1.139   7.402
  164    HG3  GLU  19           HG3      GLU  19  13.902  -1.871   8.871
  165    H    GLY  20           H        GLY  20  16.673   2.322   8.718
  166    HA2  GLY  20           HA2      GLY  20  14.431   3.736   9.682
  167    HA3  GLY  20           HA3      GLY  20  16.136   4.126   9.961
  168    H    PHE  21           H        PHE  21  16.917   4.573   7.223
  169    HA   PHE  21           HA       PHE  21  15.813   7.225   6.672
  170    HB2  PHE  21           HB2      PHE  21  17.649   5.310   5.211
  171    HB3  PHE  21           HB3      PHE  21  17.008   6.736   4.398
  172    HD1  PHE  21           HD1      PHE  21  17.186   8.993   6.035
  173    HD2  PHE  21           HD2      PHE  21  19.915   5.648   5.850
  174    HE1  PHE  21           HE1      PHE  21  19.020  10.422   6.859
  175    HE2  PHE  21           HE2      PHE  21  21.709   7.059   6.627
  176    HZ   PHE  21           HZ       PHE  21  21.294   9.484   7.170
  177    H    ALA  22           H        ALA  22  15.148   3.870   5.490
  178    HA   ALA  22           HA       ALA  22  13.520   4.864   3.358
  179    HB1  ALA  22           HB1      ALA  22  13.714   2.120   4.628
  180    HB2  ALA  22           HB2      ALA  22  12.802   2.481   3.141
  181    HB3  ALA  22           HB3      ALA  22  14.570   2.689   3.186
  182    H    LYS  23           H        LYS  23  12.619   3.715   6.700
  183    HA   LYS  23           HA       LYS  23   9.830   4.123   6.221
  184    HB2  LYS  23           HB2      LYS  23   9.512   3.836   8.552
  185    HB3  LYS  23           HB3      LYS  23  10.862   2.779   8.089
  186    HG2  LYS  23           HG2      LYS  23  12.447   4.484   8.930
  187    HG3  LYS  23           HG3      LYS  23  11.093   5.505   9.449
  188    HD2  LYS  23           HD2      LYS  23  10.376   3.650  10.989
  189    HD3  LYS  23           HD3      LYS  23  11.839   2.756  10.515
  190    HE2  LYS  23           HE2      LYS  23  13.198   4.812  11.211
  191    HE3  LYS  23           HE3      LYS  23  11.708   5.509  11.854
  192    HZ1  LYS  23           HZ1      LYS  23  11.582   3.619  13.400
  193    HZ2  LYS  23           HZ2      LYS  23  12.976   2.980  12.773
  194    HZ3  LYS  23           HZ3      LYS  23  13.022   4.403  13.565
  195    H    THR  24           H        THR  24  12.407   6.342   6.957
  196    HA   THR  24           HA       THR  24  10.810   8.615   7.708
  197    HB   THR  24           HB       THR  24  13.652   7.901   7.001
  198    HG1  THR  24           HG1      THR  24  13.379   7.526   9.022
  199   HG21  THR  24          HG21      THR  24  14.516  10.071   7.439
  200   HG22  THR  24          HG22      THR  24  13.536  10.040   5.966
  201   HG23  THR  24          HG23      THR  24  12.863  10.760   7.462
  202    H    LEU  25           H        LEU  25  12.560   7.649   4.748
  203    HA   LEU  25           HA       LEU  25  11.692   9.985   3.306
  204    HB2  LEU  25           HB2      LEU  25  13.432   7.612   2.706
  205    HB3  LEU  25           HB3      LEU  25  13.089   8.850   1.484
  206    HG   LEU  25           HG       LEU  25  14.453   9.319   4.137
  207   HD11  LEU  25          HD11      LEU  25  15.841   7.965   2.579
  208   HD12  LEU  25          HD12      LEU  25  15.575   9.179   1.300
  209   HD13  LEU  25          HD13      LEU  25  16.505   9.585   2.762
  210   HD21  LEU  25          HD21      LEU  25  15.060  11.534   3.157
  211   HD22  LEU  25          HD22      LEU  25  14.027  11.180   1.751
  212   HD23  LEU  25          HD23      LEU  25  13.319  11.363   3.375
  213    H    GLY  26           H        GLY  26  10.799   6.585   3.394
  214    HA2  GLY  26           HA2      GLY  26   9.193   6.621   0.918
  215    HA3  GLY  26           HA3      GLY  26   9.638   5.239   1.951
  216    H    ALA  27           H        ALA  27   8.527   7.933   3.723
  217    HA   ALA  27           HA       ALA  27   6.614   6.373   5.060
  218    HB1  ALA  27           HB1      ALA  27   6.114   8.457   6.281
  219    HB2  ALA  27           HB2      ALA  27   7.869   8.311   6.049
  220    HB3  ALA  27           HB3      ALA  27   6.929   9.416   5.029
  221    H    GLY  28           H        GLY  28   4.586   5.862   4.564
  222    HA2  GLY  28           HA2      GLY  28   2.422   6.067   3.805
  223    HA3  GLY  28           HA3      GLY  28   2.771   7.733   3.296
  224    H    LYS  29           H        LYS  29   5.079   5.607   1.948
  225    HA   LYS  29           HA       LYS  29   3.601   5.443  -0.601
  226    HB2  LYS  29           HB2      LYS  29   6.501   6.062  -0.009
  227    HB3  LYS  29           HB3      LYS  29   5.845   5.769  -1.622
  228    HG2  LYS  29           HG2      LYS  29   4.881   7.965   0.244
  229    HG3  LYS  29           HG3      LYS  29   6.140   8.202  -0.963
  230    HD2  LYS  29           HD2      LYS  29   4.382   7.328  -2.701
  231    HD3  LYS  29           HD3      LYS  29   3.199   7.528  -1.412
  232    HE2  LYS  29           HE2      LYS  29   3.067   9.466  -2.757
  233    HE3  LYS  29           HE3      LYS  29   3.838   9.960  -1.247
  234    HZ1  LYS  29           HZ1      LYS  29   4.882  10.820  -3.343
  235    HZ2  LYS  29           HZ2      LYS  29   5.944  10.038  -2.387
  236    HZ3  LYS  29           HZ3      LYS  29   5.354   9.291  -3.732
  237    H    ILE  30           H        ILE  30   6.110   4.049   1.555
  238    HA   ILE  30           HA       ILE  30   5.379   1.368   0.613
  239    HB   ILE  30           HB       ILE  30   7.805   0.750   0.438
  240   HG12  ILE  30          HG12      ILE  30   9.347   2.582  -0.430
  241   HG13  ILE  30          HG13      ILE  30   8.298   3.770   0.330
  242   HG21  ILE  30          HG21      ILE  30   7.073   2.831  -1.646
  243   HG22  ILE  30          HG22      ILE  30   7.836   1.237  -1.843
  244   HG23  ILE  30          HG23      ILE  30   6.130   1.347  -1.419
  245   HD11  ILE  30          HD11      ILE  30  10.350   3.155   1.629
  246   HD12  ILE  30          HD12      ILE  30   8.847   2.877   2.536
  247   HD13  ILE  30          HD13      ILE  30   9.720   1.504   1.789
  248    H    ALA  31           H        ALA  31   6.164  -0.283   2.025
  249    HA   ALA  31           HA       ALA  31   6.120   0.557   4.902
  250    HB1  ALA  31           HB1      ALA  31   5.322  -2.070   3.570
  251    HB2  ALA  31           HB2      ALA  31   5.393  -1.795   5.323
  252    HB3  ALA  31           HB3      ALA  31   4.231  -0.895   4.330
  253    H    VAL  32           H        VAL  32   7.797  -0.572   6.244
  254    HA   VAL  32           HA       VAL  32  10.084  -1.495   4.629
  255    HB   VAL  32           HB       VAL  32  10.306   0.577   6.815
  256   HG11  VAL  32          HG11      VAL  32  12.328   1.095   5.942
  257   HG12  VAL  32          HG12      VAL  32  12.284  -0.639   5.599
  258   HG13  VAL  32          HG13      VAL  32  11.904   0.525   4.304
  259   HG21  VAL  32          HG21      VAL  32   8.771   1.797   5.418
  260   HG22  VAL  32          HG22      VAL  32  10.374   2.366   4.952
  261   HG23  VAL  32          HG23      VAL  32   9.566   1.194   3.952
  262    H    THR  33           H        THR  33  11.569  -2.893   5.682
  263    HA   THR  33           HA       THR  33  11.248  -3.569   8.534
  264    HB   THR  33           HB       THR  33  11.289  -5.987   6.937
  265    HG1  THR  33           HG1      THR  33  10.011  -4.825   5.443
  266   HG21  THR  33          HG21      THR  33   9.246  -4.952   8.930
  267   HG22  THR  33          HG22      THR  33   9.383  -6.623   8.337
  268   HG23  THR  33          HG23      THR  33  10.688  -5.927   9.314
  269    H    SER  34           H        SER  34  13.120  -4.976   9.319
  270    HA   SER  34           HA       SER  34  15.358  -5.227   7.380
  271    HB2  SER  34           HB2      SER  34  16.893  -4.572   9.297
  272    HB3  SER  34           HB3      SER  34  15.990  -3.300   8.489
  273    HG   SER  34           HG       SER  34  15.433  -4.448  11.037
  274    H    CYS  35           H        CYS  35  16.957  -6.976   7.962
  275    HA   CYS  35           HA       CYS  35  16.196  -8.752  10.164
  276    HB2  CYS  35           HB2      CYS  35  16.157 -10.766   8.639
  277    HB3  CYS  35           HB3      CYS  35  14.780  -9.665   8.484
  278    HG   CYS  35           HG       CYS  35  15.455  -8.469   6.389
  279    H    GLY  36           H        GLY  36  17.893 -10.077  10.850
  280    HA2  GLY  36           HA2      GLY  36  20.133 -10.549  11.249
  281    HA3  GLY  36           HA3      GLY  36  20.571  -9.881   9.668
  282    H    LEU  37           H        LEU  37  21.328  -9.330  12.818
  283    HA   LEU  37           HA       LEU  37  21.475  -6.417  12.527
  284    HB2  LEU  37           HB2      LEU  37  19.169  -7.307  13.437
  285    HB3  LEU  37           HB3      LEU  37  20.054  -7.669  14.914
  286    HG   LEU  37           HG       LEU  37  20.803  -5.221  14.868
  287   HD11  LEU  37          HD11      LEU  37  18.467  -4.936  12.906
  288   HD12  LEU  37          HD12      LEU  37  19.462  -3.630  13.577
  289   HD13  LEU  37          HD13      LEU  37  20.153  -4.784  12.425
  290   HD21  LEU  37          HD21      LEU  37  18.946  -6.013  16.360
  291   HD22  LEU  37          HD22      LEU  37  18.700  -4.342  15.839
  292   HD23  LEU  37          HD23      LEU  37  17.768  -5.645  15.096
  293    H    GLU  38           H        GLU  38  23.554  -7.796  12.263
  294    HA   GLU  38           HA       GLU  38  25.565  -8.478  12.863
  295    HB2  GLU  38           HB2      GLU  38  25.586  -6.153  13.823
  296    HB3  GLU  38           HB3      GLU  38  25.301  -6.851  15.411
  297    HG2  GLU  38           HG2      GLU  38  27.395  -8.191  15.181
  298    HG3  GLU  38           HG3      GLU  38  27.651  -7.508  13.574
  299    H    SER  39           H        SER  39  24.273  -8.413  16.150
  300    HA   SER  39           HA       SER  39  23.572 -11.127  16.383
  301    HB2  SER  39           HB2      SER  39  25.495 -11.801  17.981
  302    HB3  SER  39           HB3      SER  39  25.855 -11.784  16.261
  303    HG   SER  39           HG       SER  39  27.508 -10.771  17.490
  304    H    SER  40           H        SER  40  22.644  -8.449  17.028
  305    HA   SER  40           HA       SER  40  22.272  -8.631  19.980
  306    HB2  SER  40           HB2      SER  40  23.130  -6.114  18.473
  307    HB3  SER  40           HB3      SER  40  22.841  -6.263  20.218
  308    HG   SER  40           HG       SER  40  25.082  -6.388  19.722
  309    H    ARG  41           H        ARG  41  20.483  -7.145  20.725
  310    HA   ARG  41           HA       ARG  41  18.208  -7.297  18.871
  311    HB2  ARG  41           HB2      ARG  41  18.606  -6.373  21.748
  312    HB3  ARG  41           HB3      ARG  41  17.161  -5.902  20.878
  313    HG2  ARG  41           HG2      ARG  41  16.656  -7.855  22.143
  314    HG3  ARG  41           HG3      ARG  41  16.577  -8.239  20.425
  315    HD2  ARG  41           HD2      ARG  41  18.768  -9.366  20.556
  316    HD3  ARG  41           HD3      ARG  41  18.911  -8.900  22.271
  317    HE   ARG  41           HE       ARG  41  16.470 -10.315  21.840
  318   HH11  ARG  41          HH11      ARG  41  19.968 -10.958  22.017
  319   HH12  ARG  41          HH12      ARG  41  19.781 -12.595  22.532
  320   HH21  ARG  41          HH21      ARG  41  16.224 -12.497  22.529
  321   HH22  ARG  41          HH22      ARG  41  17.606 -13.490  22.813
  322    H    VAL  42           H        VAL  42  20.561  -4.837  19.694
  323    HA   VAL  42           HA       VAL  42  19.943  -3.164  17.546
  324    HB   VAL  42           HB       VAL  42  18.128  -2.739  19.673
  325   HG11  VAL  42          HG11      VAL  42  20.034  -0.399  19.845
  326   HG12  VAL  42          HG12      VAL  42  18.485  -0.633  20.667
  327   HG13  VAL  42          HG13      VAL  42  19.855  -1.673  21.072
  328   HG21  VAL  42          HG21      VAL  42  18.905  -0.818  17.462
  329   HG22  VAL  42          HG22      VAL  42  17.751  -2.161  17.352
  330   HG23  VAL  42          HG23      VAL  42  17.397  -0.806  18.407
  331    H    HIS  43           H        HIS  43  21.342  -1.027  17.850
  332    HA   HIS  43           HA       HIS  43  23.811  -1.764  19.335
  333    HB2  HIS  43           HB2      HIS  43  23.806  -2.720  17.041
  334    HB3  HIS  43           HB3      HIS  43  23.583  -1.101  16.385
  335    HD1  HIS  43           HD1      HIS  43  26.233  -2.796  18.721
  336    HD2  HIS  43           HD2      HIS  43  25.781   0.093  15.692
  337    HE1  HIS  43           HE1      HIS  43  28.552  -1.849  18.277
  338    HA   PRO  44           HA       PRO  44  22.704   2.463  20.309
  339    HB2  PRO  44           HB2      PRO  44  24.695   3.169  22.034
  340    HB3  PRO  44           HB3      PRO  44  23.444   1.958  22.457
  341    HG2  PRO  44           HG2      PRO  44  26.191   1.433  21.263
  342    HG3  PRO  44           HG3      PRO  44  25.518   0.738  22.789
  343    HD2  PRO  44           HD2      PRO  44  25.323  -0.666  20.525
  344    HD3  PRO  44           HD3      PRO  44  23.870  -0.531  21.570
  345    H    THR  45           H        THR  45  26.041   1.710  19.092
  346    HA   THR  45           HA       THR  45  26.677   4.381  18.558
  347    HB   THR  45           HB       THR  45  27.620   1.989  16.933
  348    HG1  THR  45           HG1      THR  45  29.040   1.579  18.556
  349   HG21  THR  45          HG21      THR  45  29.748   3.344  16.829
  350   HG22  THR  45          HG22      THR  45  28.388   4.122  16.015
  351   HG23  THR  45          HG23      THR  45  28.878   4.683  17.625
  352    H    ALA  46           H        ALA  46  24.729   2.006  16.692
  353    HA   ALA  46           HA       ALA  46  24.620   3.654  14.318
  354    HB1  ALA  46           HB1      ALA  46  22.849   2.192  13.540
  355    HB2  ALA  46           HB2      ALA  46  24.085   1.175  14.300
  356    HB3  ALA  46           HB3      ALA  46  22.586   1.546  15.181
  357    H    ILE  47           H        ILE  47  22.619   3.269  17.260
  358    HA   ILE  47           HA       ILE  47  20.527   5.017  16.500
  359    HB   ILE  47           HB       ILE  47  21.608   4.183  19.138
  360   HG12  ILE  47          HG12      ILE  47  19.311   3.398  19.440
  361   HG13  ILE  47          HG13      ILE  47  18.931   3.841  17.759
  362   HG21  ILE  47          HG21      ILE  47  20.939   6.499  19.622
  363   HG22  ILE  47          HG22      ILE  47  19.382   6.228  18.801
  364   HG23  ILE  47          HG23      ILE  47  19.776   5.387  20.313
  365   HD11  ILE  47          HD11      ILE  47  20.866   1.747  18.800
  366   HD12  ILE  47          HD12      ILE  47  19.272   1.477  18.114
  367   HD13  ILE  47          HD13      ILE  47  20.573   2.099  17.058
  368    H    ALA  48           H        ALA  48  23.596   5.789  18.280
  369    HA   ALA  48           HA       ALA  48  23.060   8.535  18.530
  370    HB1  ALA  48           HB1      ALA  48  25.757   7.138  18.261
  371    HB2  ALA  48           HB2      ALA  48  25.472   8.793  18.868
  372    HB3  ALA  48           HB3      ALA  48  24.840   7.396  19.774
  373    H    MET  49           H        MET  49  24.692   6.773  15.892
  374    HA   MET  49           HA       MET  49  25.392   9.071  14.350
  375    HB2  MET  49           HB2      MET  49  24.825   6.184  13.577
  376    HB3  MET  49           HB3      MET  49  25.510   7.376  12.469
  377    HG2  MET  49           HG2      MET  49  26.810   6.765  15.154
  378    HG3  MET  49           HG3      MET  49  27.083   5.786  13.747
  379    HE1  MET  49           HE1      MET  49  29.097   9.635  14.933
  380    HE2  MET  49           HE2      MET  49  27.364   9.454  15.292
  381    HE3  MET  49           HE3      MET  49  28.512   8.239  15.880
  382    H    MET  50           H        MET  50  22.310   7.409  14.757
  383    HA   MET  50           HA       MET  50  21.251   8.717  12.339
  384    HB2  MET  50           HB2      MET  50  19.862   6.896  14.330
  385    HB3  MET  50           HB3      MET  50  19.266   7.402  12.752
  386    HG2  MET  50           HG2      MET  50  20.945   5.189  13.436
  387    HG3  MET  50           HG3      MET  50  20.090   5.513  11.966
  388    HE1  MET  50           HE1      MET  50  23.734   4.302  12.448
  389    HE2  MET  50           HE2      MET  50  22.138   3.793  11.810
  390    HE3  MET  50           HE3      MET  50  23.439   4.310  10.695
  391    H    GLU  51           H        GLU  51  21.102   8.917  15.873
  392    HA   GLU  51           HA       GLU  51  19.161  10.966  16.095
  393    HB2  GLU  51           HB2      GLU  51  20.062   9.549  17.963
  394    HB3  GLU  51           HB3      GLU  51  21.633  10.329  17.816
  395    HG2  GLU  51           HG2      GLU  51  20.639  12.504  18.438
  396    HG3  GLU  51           HG3      GLU  51  19.029  11.773  18.480
  397    H    GLU  52           H        GLU  52  22.609  11.005  15.308
  398    HA   GLU  52           HA       GLU  52  23.003  13.808  15.280
  399    HB2  GLU  52           HB2      GLU  52  24.375  11.417  14.025
  400    HB3  GLU  52           HB3      GLU  52  24.890  13.039  13.574
  401    HG2  GLU  52           HG2      GLU  52  24.798  12.074  16.462
  402    HG3  GLU  52           HG3      GLU  52  26.212  11.923  15.426
  403    H    VAL  53           H        VAL  53  20.972  11.948  13.188
  404    HA   VAL  53           HA       VAL  53  20.705  14.291  11.417
  405    HB   VAL  53           HB       VAL  53  20.064  12.601   9.645
  406   HG11  VAL  53          HG11      VAL  53  22.385  12.348   8.863
  407   HG12  VAL  53          HG12      VAL  53  22.062  13.969   9.490
  408   HG13  VAL  53          HG13      VAL  53  22.967  12.814  10.482
  409   HG21  VAL  53          HG21      VAL  53  21.124  10.413   9.622
  410   HG22  VAL  53          HG22      VAL  53  21.706  10.656  11.282
  411   HG23  VAL  53          HG23      VAL  53  19.959  10.532  10.941
  412    H    GLY  54           H        GLY  54  19.329  13.063  13.961
  413    HA2  GLY  54           HA2      GLY  54  17.228  13.242  14.802
  414    HA3  GLY  54           HA3      GLY  54  16.771  14.123  13.334
  415    H    ILE  55           H        ILE  55  17.929  10.724  13.571
  416    HA   ILE  55           HA       ILE  55  15.254   9.731  12.837
  417    HB   ILE  55           HB       ILE  55  17.882   8.729  11.714
  418   HG12  ILE  55          HG12      ILE  55  15.510  10.280  10.600
  419   HG13  ILE  55          HG13      ILE  55  17.217  10.752  10.632
  420   HG21  ILE  55          HG21      ILE  55  15.034   7.659  11.359
  421   HG22  ILE  55          HG22      ILE  55  16.455   7.092  10.468
  422   HG23  ILE  55          HG23      ILE  55  16.380   6.816  12.179
  423   HD11  ILE  55          HD11      ILE  55  17.685   8.794   9.105
  424   HD12  ILE  55          HD12      ILE  55  15.913   8.631   8.948
  425   HD13  ILE  55          HD13      ILE  55  16.711  10.123   8.412
  426    H    ASP  56           H        ASP  56  14.815   7.610  13.775
  427    HA   ASP  56           HA       ASP  56  16.412   6.977  16.231
  428    HB2  ASP  56           HB2      ASP  56  14.410   8.286  16.811
  429    HB3  ASP  56           HB3      ASP  56  13.387   7.156  15.927
  430    H    ILE  57           H        ILE  57  17.080   4.886  16.119
  431    HA   ILE  57           HA       ILE  57  15.289   2.868  14.916
  432    HB   ILE  57           HB       ILE  57  17.130   1.741  13.868
  433   HG12  ILE  57          HG12      ILE  57  18.909   4.131  14.539
  434   HG13  ILE  57          HG13      ILE  57  19.054   2.503  15.214
  435   HG21  ILE  57          HG21      ILE  57  17.205   4.591  12.810
  436   HG22  ILE  57          HG22      ILE  57  17.239   3.056  11.902
  437   HG23  ILE  57          HG23      ILE  57  15.754   3.569  12.677
  438   HD11  ILE  57          HD11      ILE  57  20.687   2.822  13.469
  439   HD12  ILE  57          HD12      ILE  57  19.507   1.615  12.922
  440   HD13  ILE  57          HD13      ILE  57  19.455   3.279  12.282
  441    H    SER  58           H        SER  58  16.184   3.885  17.744
  442    HA   SER  58           HA       SER  58  17.357   1.594  18.964
  443    HB2  SER  58           HB2      SER  58  15.952   3.379  20.776
  444    HB3  SER  58           HB3      SER  58  17.684   3.018  20.598
  445    HG   SER  58           HG       SER  58  16.971   5.293  20.231
  446    H    GLY  59           H        GLY  59  13.995   2.694  18.506
  447    HA2  GLY  59           HA2      GLY  59  12.848   0.852  20.407
  448    HA3  GLY  59           HA3      GLY  59  12.009   1.706  19.102
  449    H    GLN  60           H        GLN  60  14.428   0.253  17.449
  450    HA   GLN  60           HA       GLN  60  12.598  -1.732  16.417
  451    HB2  GLN  60           HB2      GLN  60  15.361  -0.786  15.494
  452    HB3  GLN  60           HB3      GLN  60  14.391  -1.994  14.657
  453    HG2  GLN  60           HG2      GLN  60  12.511  -0.360  14.518
  454    HG3  GLN  60           HG3      GLN  60  13.544   0.862  15.301
  455   HE21  GLN  60          HE22      GLN  60  14.205  -1.427  12.468
  456   HE22  GLN  60          HE21      GLN  60  14.471  -0.062  11.391
  457    H    THR  61           H        THR  61  13.202  -3.817  15.929
  458    HA   THR  61           HA       THR  61  15.553  -5.073  16.974
  459    HB   THR  61           HB       THR  61  13.934  -7.064  17.679
  460    HG1  THR  61           HG1      THR  61  11.983  -6.404  18.535
  461   HG21  THR  61          HG21      THR  61  14.282  -4.662  19.504
  462   HG22  THR  61          HG22      THR  61  14.056  -6.359  19.997
  463   HG23  THR  61          HG23      THR  61  15.531  -5.873  19.137
  464    H    SER  62           H        SER  62  15.763  -7.243  15.835
  465    HA   SER  62           HA       SER  62  14.131  -7.583  13.434
  466    HB2  SER  62           HB2      SER  62  17.106  -6.981  13.277
  467    HB3  SER  62           HB3      SER  62  16.051  -7.390  11.918
  468    HG   SER  62           HG       SER  62  14.796  -5.430  12.776
  469    H    ASP  63           H        ASP  63  15.019  -9.608  12.244
  470    HA   ASP  63           HA       ASP  63  16.012 -11.664  14.147
  471    HB2  ASP  63           HB2      ASP  63  13.399 -11.124  14.050
  472    HB3  ASP  63           HB3      ASP  63  13.461 -12.000  12.543
  473    HA   PRO  64           HA       PRO  64  18.119 -12.807  10.540
  474    HB2  PRO  64           HB2      PRO  64  18.308 -15.548  10.391
  475    HB3  PRO  64           HB3      PRO  64  19.100 -14.546  11.646
  476    HG2  PRO  64           HG2      PRO  64  16.464 -16.033  11.829
  477    HG3  PRO  64           HG3      PRO  64  17.823 -16.028  13.006
  478    HD2  PRO  64           HD2      PRO  64  15.648 -14.469  13.295
  479    HD3  PRO  64           HD3      PRO  64  17.261 -13.866  13.775
  480    H    ILE  65           H        ILE  65  18.245 -13.866   8.393
  481    HA   ILE  65           HA       ILE  65  16.015 -13.091   6.861
  482    HB   ILE  65           HB       ILE  65  18.362 -13.067   6.095
  483   HG12  ILE  65          HG12      ILE  65  16.487 -14.727   4.362
  484   HG13  ILE  65          HG13      ILE  65  16.686 -12.971   4.406
  485   HG21  ILE  65          HG21      ILE  65  19.651 -15.011   5.525
  486   HG22  ILE  65          HG22      ILE  65  19.082 -15.276   7.162
  487   HG23  ILE  65          HG23      ILE  65  18.281 -16.103   5.812
  488   HD11  ILE  65          HD11      ILE  65  18.634 -15.046   3.335
  489   HD12  ILE  65          HD12      ILE  65  17.747 -13.804   2.443
  490   HD13  ILE  65          HD13      ILE  65  19.058 -13.336   3.544
  491    H    GLU  66           H        GLU  66  16.985 -16.243   8.084
  492    HA   GLU  66           HA       GLU  66  15.385 -17.722   6.303
  493    HB2  GLU  66           HB2      GLU  66  16.117 -19.627   7.635
  494    HB3  GLU  66           HB3      GLU  66  17.449 -18.469   7.426
  495    HG2  GLU  66           HG2      GLU  66  17.108 -17.598   9.689
  496    HG3  GLU  66           HG3      GLU  66  15.743 -18.702   9.942
  497    H    ASN  67           H        ASN  67  14.457 -16.035   9.183
  498    HA   ASN  67           HA       ASN  67  12.020 -17.573   9.480
  499    HB2  ASN  67           HB2      ASN  67  11.831 -16.668  11.493
  500    HB3  ASN  67           HB3      ASN  67  13.463 -16.038  11.276
  501   HD21  ASN  67          HD22      ASN  67  13.662 -13.824  10.291
  502   HD22  ASN  67          HD21      ASN  67  12.356 -12.683  10.528
  503    H    PHE  68           H        PHE  68  13.141 -15.099   7.348
  504    HA   PHE  68           HA       PHE  68  10.475 -13.901   7.056
  505    HB2  PHE  68           HB2      PHE  68  13.249 -12.972   6.278
  506    HB3  PHE  68           HB3      PHE  68  11.820 -12.275   5.549
  507    HD1  PHE  68           HD2      PHE  68   9.947 -11.378   7.093
  508    HD2  PHE  68           HD1      PHE  68  13.980 -12.118   8.413
  509    HE1  PHE  68           HE2      PHE  68   9.593  -9.847   9.011
  510    HE2  PHE  68           HE1      PHE  68  13.622 -10.572  10.330
  511    HZ   PHE  68           HZ       PHE  68  11.432  -9.434  10.632
  512    H    ASN  69           H        ASN  69   9.910 -13.337   4.700
  513    HA   ASN  69           HA       ASN  69  10.434 -15.543   2.802
  514    HB2  ASN  69           HB2      ASN  69   8.560 -16.214   4.285
  515    HB3  ASN  69           HB3      ASN  69   7.841 -14.599   4.117
  516   HD21  ASN  69          HD22      ASN  69   7.191 -13.910   2.118
  517   HD22  ASN  69          HD21      ASN  69   6.316 -15.026   1.039
  518    H    ALA  70           H        ALA  70  11.495 -14.007   1.413
  519    HA   ALA  70           HA       ALA  70  10.738 -11.364   0.971
  520    HB1  ALA  70           HB1      ALA  70  11.903 -13.435  -0.923
  521    HB2  ALA  70           HB2      ALA  70  11.771 -11.708  -1.300
  522    HB3  ALA  70           HB3      ALA  70  12.765 -12.215   0.070
  523    H    ASP  71           H        ASP  71   9.166 -14.296  -0.115
  524    HA   ASP  71           HA       ASP  71   7.758 -13.270  -2.353
  525    HB2  ASP  71           HB2      ASP  71   7.470 -15.491  -2.346
  526    HB3  ASP  71           HB3      ASP  71   7.528 -15.631  -0.601
  527    H    ASP  72           H        ASP  72   7.471 -12.584   1.013
  528    HA   ASP  72           HA       ASP  72   4.821 -11.304   0.713
  529    HB2  ASP  72           HB2      ASP  72   5.259 -12.911   2.590
  530    HB3  ASP  72           HB3      ASP  72   6.435 -11.768   3.235
  531    H    TYR  73           H        TYR  73   7.881 -10.201  -0.030
  532    HA   TYR  73           HA       TYR  73   7.152  -7.519   0.821
  533    HB2  TYR  73           HB2      TYR  73   9.981  -8.555   1.061
  534    HB3  TYR  73           HB3      TYR  73   9.398  -6.909   1.435
  535    HD1  TYR  73           HD2      TYR  73   9.153 -10.471   2.415
  536    HD2  TYR  73           HD1      TYR  73   8.654  -6.400   3.640
  537    HE1  TYR  73           HE2      TYR  73   8.485 -11.284   4.633
  538    HE2  TYR  73           HE1      TYR  73   8.052  -7.165   5.946
  539    HH   TYR  73           HH       TYR  73   7.661 -10.630   6.790
  540    H    ASP  74           H        ASP  74   6.983  -6.301  -0.924
  541    HA   ASP  74           HA       ASP  74   7.454  -7.479  -3.473
  542    HB2  ASP  74           HB2      ASP  74   7.034  -4.520  -2.867
  543    HB3  ASP  74           HB3      ASP  74   6.642  -5.362  -4.359
  544    H    VAL  75           H        VAL  75   9.676  -5.688  -1.492
  545    HA   VAL  75           HA       VAL  75  11.549  -5.335  -3.780
  546    HB   VAL  75           HB       VAL  75  10.347  -3.389  -1.933
  547   HG11  VAL  75          HG11      VAL  75  12.405  -2.083  -3.584
  548   HG12  VAL  75          HG12      VAL  75  11.878  -1.764  -1.969
  549   HG13  VAL  75          HG13      VAL  75  13.031  -3.089  -2.262
  550   HG21  VAL  75          HG21      VAL  75  10.534  -3.305  -4.901
  551   HG22  VAL  75          HG22      VAL  75   9.090  -3.474  -3.897
  552   HG23  VAL  75          HG23      VAL  75   9.963  -1.958  -3.888
  553    H    VAL  76           H        VAL  76  13.522  -6.360  -3.086
  554    HA   VAL  76           HA       VAL  76  13.956  -6.384  -0.148
  555    HB   VAL  76           HB       VAL  76  14.871  -8.655  -0.495
  556   HG11  VAL  76          HG11      VAL  76  12.736  -9.775  -0.217
  557   HG12  VAL  76          HG12      VAL  76  12.584  -8.181   0.513
  558   HG13  VAL  76          HG13      VAL  76  11.881  -8.471  -1.073
  559   HG21  VAL  76          HG21      VAL  76  13.330  -8.663  -3.119
  560   HG22  VAL  76          HG22      VAL  76  15.084  -8.786  -2.926
  561   HG23  VAL  76          HG23      VAL  76  14.044 -10.070  -2.310
  562    H    ILE  77           H        ILE  77  15.816  -5.805   0.507
  563    HA   ILE  77           HA       ILE  77  17.959  -5.234  -1.466
  564    HB   ILE  77           HB       ILE  77  17.062  -3.635   0.963
  565   HG12  ILE  77          HG12      ILE  77  15.305  -3.423  -0.712
  566   HG13  ILE  77          HG13      ILE  77  16.197  -1.940  -0.563
  567   HG21  ILE  77          HG21      ILE  77  19.100  -3.037  -1.222
  568   HG22  ILE  77          HG22      ILE  77  18.577  -1.923   0.067
  569   HG23  ILE  77          HG23      ILE  77  19.441  -3.403   0.485
  570   HD11  ILE  77          HD11      ILE  77  16.795  -3.958  -2.781
  571   HD12  ILE  77          HD12      ILE  77  15.587  -2.686  -2.938
  572   HD13  ILE  77          HD13      ILE  77  17.307  -2.274  -2.684
  573    H    SER  78           H        SER  78  19.237  -6.946  -1.062
  574    HA   SER  78           HA       SER  78  19.707  -7.810   1.701
  575    HB2  SER  78           HB2      SER  78  19.611  -9.489   0.056
  576    HB3  SER  78           HB3      SER  78  20.781  -8.658  -0.996
  577    HG   SER  78           HG       SER  78  22.377  -9.300   0.169
  578    H    LEU  79           H        LEU  79  22.117  -7.696   2.464
  579    HA   LEU  79           HA       LEU  79  23.720  -5.557   1.343
  580    HB2  LEU  79           HB2      LEU  79  22.880  -5.293   4.284
  581    HB3  LEU  79           HB3      LEU  79  24.145  -4.422   3.449
  582    HG   LEU  79           HG       LEU  79  22.200  -3.625   1.867
  583   HD11  LEU  79          HD11      LEU  79  20.365  -4.905   2.941
  584   HD12  LEU  79          HD12      LEU  79  20.690  -4.103   4.471
  585   HD13  LEU  79          HD13      LEU  79  20.106  -3.166   3.072
  586   HD21  LEU  79          HD21      LEU  79  21.938  -1.614   3.301
  587   HD22  LEU  79          HD22      LEU  79  22.680  -2.507   4.649
  588   HD23  LEU  79          HD23      LEU  79  23.622  -2.136   3.190
  589    H    CYS  80           H        CYS  80  24.102  -8.109   1.057
  590    HA   CYS  80           HA       CYS  80  25.808  -9.100   3.305
  591    HB2  CYS  80           HB2      CYS  80  24.202 -10.813   1.337
  592    HB3  CYS  80           HB3      CYS  80  25.113 -11.314   2.757
  593    HG   CYS  80           HG       CYS  80  22.178 -10.128   2.388
  594    H    GLY  81           H        GLY  81  26.250  -7.560   0.475
  595    HA2  GLY  81           HA2      GLY  81  28.461  -7.353  -0.346
  596    HA3  GLY  81           HA3      GLY  81  28.843  -9.006   0.107
  597    H    CYS  82           H        CYS  82  25.855  -8.274  -1.541
  598    HA   CYS  82           HA       CYS  82  24.941  -9.170  -3.405
  599    HB2  CYS  82           HB2      CYS  82  26.199  -7.019  -3.988
  600    HB3  CYS  82           HB3      CYS  82  27.365  -8.061  -4.839
  601    HG   CYS  82           HG       CYS  82  25.745  -7.013  -6.599
  602    H    GLY  83           H        GLY  83  26.216 -11.192  -2.017
  603    HA2  GLY  83           HA2      GLY  83  26.936 -13.134  -4.101
  604    HA3  GLY  83           HA3      GLY  83  28.254 -12.627  -3.033
  605    H    VAL  84           H        VAL  84  24.787 -13.044  -2.144
  606    HA   VAL  84           HA       VAL  84  25.485 -15.446  -0.604
  607    HB   VAL  84           HB       VAL  84  23.613 -13.230   0.277
  608   HG11  VAL  84          HG11      VAL  84  24.307 -15.854   1.692
  609   HG12  VAL  84          HG12      VAL  84  23.309 -14.530   2.342
  610   HG13  VAL  84          HG13      VAL  84  22.730 -15.468   0.970
  611   HG21  VAL  84          HG21      VAL  84  25.345 -13.287   2.221
  612   HG22  VAL  84          HG22      VAL  84  26.365 -14.221   1.141
  613   HG23  VAL  84          HG23      VAL  84  25.877 -12.585   0.666
  614    H    ASN  85           H        ASN  85  24.102 -17.152  -0.860
  615    HA   ASN  85           HA       ASN  85  22.605 -17.066  -3.350
  616    HB2  ASN  85           HB2      ASN  85  24.271 -18.871  -2.669
  617    HB3  ASN  85           HB3      ASN  85  23.068 -19.463  -1.523
  618   HD21  ASN  85          HD22      ASN  85  23.597 -18.629  -4.977
  619   HD22  ASN  85          HD21      ASN  85  22.463 -19.797  -5.627
  620    H    LEU  86           H        LEU  86  21.029 -15.526  -2.371
  621    HA   LEU  86           HA       LEU  86  19.212 -16.270  -0.329
  622    HB2  LEU  86           HB2      LEU  86  18.465 -14.545  -2.704
  623    HB3  LEU  86           HB3      LEU  86  17.786 -14.525  -1.079
  624    HG   LEU  86           HG       LEU  86  20.505 -13.501  -1.964
  625   HD11  LEU  86          HD11      LEU  86  19.635 -11.329  -1.328
  626   HD12  LEU  86          HD12      LEU  86  18.513 -12.094  -2.467
  627   HD13  LEU  86          HD13      LEU  86  18.119 -12.048  -0.735
  628   HD21  LEU  86          HD21      LEU  86  20.890 -12.720   0.331
  629   HD22  LEU  86          HD22      LEU  86  19.378 -13.482   0.865
  630   HD23  LEU  86          HD23      LEU  86  20.735 -14.483   0.313
  631    HA   PRO  87           HA       PRO  87  16.597 -19.316  -2.424
  632    HB2  PRO  87           HB2      PRO  87  14.340 -17.874  -1.066
  633    HB3  PRO  87           HB3      PRO  87  14.672 -19.625  -1.123
  634    HG2  PRO  87           HG2      PRO  87  15.240 -18.126   1.114
  635    HG3  PRO  87           HG3      PRO  87  16.303 -19.471   0.581
  636    HD2  PRO  87           HD2      PRO  87  16.727 -16.512   0.280
  637    HD3  PRO  87           HD3      PRO  87  17.911 -17.823   0.539
  638    HA   PRO  88           HA       PRO  88  15.419 -17.113  -5.881
  639    HB2  PRO  88           HB2      PRO  88  13.369 -18.528  -7.133
  640    HB3  PRO  88           HB3      PRO  88  15.082 -19.039  -7.068
  641    HG2  PRO  88           HG2      PRO  88  12.818 -19.862  -5.229
  642    HG3  PRO  88           HG3      PRO  88  14.024 -20.917  -6.040
  643    HD2  PRO  88           HD2      PRO  88  14.345 -20.155  -3.457
  644    HD3  PRO  88           HD3      PRO  88  15.751 -20.206  -4.562
  645    H    GLU  89           H        GLU  89  12.815 -17.385  -3.552
  646    HA   GLU  89           HA       GLU  89  10.941 -15.676  -4.854
  647    HB2  GLU  89           HB2      GLU  89  10.064 -15.343  -2.539
  648    HB3  GLU  89           HB3      GLU  89  10.150 -17.021  -3.084
  649    HG2  GLU  89           HG2      GLU  89  12.181 -17.376  -1.739
  650    HG3  GLU  89           HG3      GLU  89  12.160 -15.692  -1.228
  651    H    TRP  90           H        TRP  90  13.934 -15.096  -3.125
  652    HA   TRP  90           HA       TRP  90  13.447 -12.315  -2.657
  653    HB2  TRP  90           HB2      TRP  90  15.995 -13.968  -2.803
  654    HB3  TRP  90           HB3      TRP  90  15.973 -12.273  -2.358
  655    HD1  TRP  90           HD1      TRP  90  14.718 -15.660  -1.012
  656    HE1  TRP  90           HE1      TRP  90  14.338 -15.510   1.509
  657    HE3  TRP  90           HE3      TRP  90  15.648 -10.711  -0.390
  658    HZ2  TRP  90           HZ2      TRP  90  14.232 -13.427   3.518
  659    HZ3  TRP  90           HZ3      TRP  90  15.292  -9.608   1.815
  660    HH2  TRP  90           HH2      TRP  90  14.596 -10.982   3.789
  661    H    VAL  91           H        VAL  91  13.767 -13.905  -5.618
  662    HA   VAL  91           HA       VAL  91  15.167 -11.673  -6.900
  663    HB   VAL  91           HB       VAL  91  14.563 -14.374  -7.916
  664   HG11  VAL  91          HG11      VAL  91  16.464 -12.262  -8.981
  665   HG12  VAL  91          HG12      VAL  91  16.358 -13.932  -9.580
  666   HG13  VAL  91          HG13      VAL  91  14.978 -12.850  -9.759
  667   HG21  VAL  91          HG21      VAL  91  17.128 -13.342  -6.642
  668   HG22  VAL  91          HG22      VAL  91  16.087 -14.642  -6.016
  669   HG23  VAL  91          HG23      VAL  91  16.985 -14.888  -7.509
  670    H    THR  92           H        THR  92  12.023 -13.299  -6.727
  671    HA   THR  92           HA       THR  92  11.106 -12.438  -9.291
  672    HB   THR  92           HB       THR  92   8.924 -13.407  -8.344
  673    HG1  THR  92           HG1      THR  92   9.039 -14.342  -6.340
  674   HG21  THR  92          HG21      THR  92  11.479 -15.073  -8.104
  675   HG22  THR  92          HG22      THR  92   9.833 -15.706  -8.344
  676   HG23  THR  92          HG23      THR  92  10.607 -14.736  -9.611
  677    H    GLN  93           H        GLN  93  11.083 -10.926  -6.192
  678    HA   GLN  93           HA       GLN  93   9.089  -9.108  -6.123
  679    HB2  GLN  93           HB2      GLN  93  12.050  -9.034  -5.399
  680    HB3  GLN  93           HB3      GLN  93  10.883  -7.892  -4.752
  681    HG2  GLN  93           HG2      GLN  93  11.464 -10.673  -4.027
  682    HG3  GLN  93           HG3      GLN  93  10.921  -9.352  -3.027
  683   HE21  GLN  93          HE22      GLN  93  10.114 -12.327  -4.171
  684   HE22  GLN  93          HE21      GLN  93   8.360 -12.238  -4.265
  685    H    GLU  94           H        GLU  94   9.214  -6.738  -6.300
  686    HA   GLU  94           HA       GLU  94   9.491  -5.974  -9.040
  687    HB2  GLU  94           HB2      GLU  94   7.681  -4.957  -8.065
  688    HB3  GLU  94           HB3      GLU  94   8.426  -4.883  -6.469
  689    HG2  GLU  94           HG2      GLU  94   9.717  -3.020  -6.960
  690    HG3  GLU  94           HG3      GLU  94   9.338  -3.089  -8.691
  691    H    ILE  95           H        ILE  95  11.239  -5.498  -5.973
  692    HA   ILE  95           HA       ILE  95  13.590  -4.649  -7.622
  693    HB   ILE  95           HB       ILE  95  12.873  -3.649  -4.877
  694   HG12  ILE  95          HG12      ILE  95  11.828  -2.349  -6.623
  695   HG13  ILE  95          HG13      ILE  95  13.068  -1.443  -5.728
  696   HG21  ILE  95          HG21      ILE  95  15.494  -3.412  -6.428
  697   HG22  ILE  95          HG22      ILE  95  15.084  -2.334  -5.099
  698   HG23  ILE  95          HG23      ILE  95  15.247  -4.072  -4.800
  699   HD11  ILE  95          HD11      ILE  95  14.583  -1.576  -7.647
  700   HD12  ILE  95          HD12      ILE  95  13.431  -2.605  -8.530
  701   HD13  ILE  95          HD13      ILE  95  13.009  -0.932  -8.164
  702    H    PHE  96           H        PHE  96  15.405  -5.766  -7.234
  703    HA   PHE  96           HA       PHE  96  15.759  -7.181  -4.739
  704    HB2  PHE  96           HB2      PHE  96  15.081  -9.097  -6.013
  705    HB3  PHE  96           HB3      PHE  96  16.078  -8.613  -7.390
  706    HD1  PHE  96           HD1      PHE  96  17.148  -8.425  -3.767
  707    HD2  PHE  96           HD2      PHE  96  17.612 -10.482  -7.540
  708    HE1  PHE  96           HE1      PHE  96  19.206  -9.394  -2.953
  709    HE2  PHE  96           HE2      PHE  96  19.669 -11.556  -6.659
  710    HZ   PHE  96           HZ       PHE  96  20.493 -11.016  -4.379
  711    H    GLU  97           H        GLU  97  17.526  -6.135  -4.068
  712    HA   GLU  97           HA       GLU  97  19.788  -5.651  -5.891
  713    HB2  GLU  97           HB2      GLU  97  18.336  -3.521  -4.283
  714    HB3  GLU  97           HB3      GLU  97  20.071  -3.400  -4.569
  715    HG2  GLU  97           HG2      GLU  97  19.700  -3.396  -6.987
  716    HG3  GLU  97           HG3      GLU  97  17.952  -3.569  -6.730
  717    H    ASP  98           H        ASP  98  21.658  -5.018  -4.416
  718    HA   ASP  98           HA       ASP  98  21.467  -5.993  -1.705
  719    HB2  ASP  98           HB2      ASP  98  22.237  -8.026  -2.843
  720    HB3  ASP  98           HB3      ASP  98  23.582  -7.116  -3.536
  721    H    TRP  99           H        TRP  99  22.227  -4.280  -0.599
  722    HA   TRP  99           HA       TRP  99  24.118  -2.404  -1.914
  723    HB2  TRP  99           HB2      TRP  99  22.384  -2.025   0.556
  724    HB3  TRP  99           HB3      TRP  99  23.462  -0.838  -0.135
  725    HD1  TRP  99           HD1      TRP  99  22.247  -2.086  -3.206
  726    HE1  TRP  99           HE1      TRP  99  20.064  -1.105  -4.027
  727    HE3  TRP  99           HE3      TRP  99  20.732   0.234   1.125
  728    HZ2  TRP  99           HZ2      TRP  99  17.871   0.365  -2.952
  729    HZ3  TRP  99           HZ3      TRP  99  18.544   1.461   1.138
  730    HH2  TRP  99           HH2      TRP  99  17.116   1.457  -0.844
  731    H    GLN 100           H        GLN 100  25.478  -4.369  -1.717
  732    HA   GLN 100           HA       GLN 100  26.871  -5.356   0.350
  733    HB2  GLN 100           HB2      GLN 100  28.890  -5.253  -0.931
  734    HB3  GLN 100           HB3      GLN 100  27.505  -5.824  -1.881
  735    HG2  GLN 100           HG2      GLN 100  28.968  -3.187  -2.066
  736    HG3  GLN 100           HG3      GLN 100  29.014  -4.512  -3.213
  737   HE21  GLN 100          HE22      GLN 100  26.998  -4.984  -4.498
  738   HE22  GLN 100          HE21      GLN 100  25.721  -3.798  -4.596
  739    H    LEU 101           H        LEU 101  27.288  -2.199  -1.005
  740    HA   LEU 101           HA       LEU 101  28.511  -0.380  -0.520
  741    HB2  LEU 101           HB2      LEU 101  26.123  -0.674   1.065
  742    HB3  LEU 101           HB3      LEU 101  27.241   0.203   2.044
  743    HG   LEU 101           HG       LEU 101  25.723   1.660   0.698
  744   HD11  LEU 101          HD11      LEU 101  28.664   1.913  -0.127
  745   HD12  LEU 101          HD12      LEU 101  27.431   3.168  -0.255
  746   HD13  LEU 101          HD13      LEU 101  27.909   2.589   1.343
  747   HD21  LEU 101          HD21      LEU 101  25.506   0.187  -1.291
  748   HD22  LEU 101          HD22      LEU 101  25.898   1.872  -1.686
  749   HD23  LEU 101          HD23      LEU 101  27.149   0.637  -1.796
  750    H    GLU 102           H        GLU 102  29.172   0.802   2.015
  751    HA   GLU 102           HA       GLU 102  31.770  -0.285   2.454
  752    HB2  GLU 102           HB2      GLU 102  30.049   1.697   3.963
  753    HB3  GLU 102           HB3      GLU 102  31.674   1.241   4.539
  754    HG2  GLU 102           HG2      GLU 102  32.722   2.057   2.593
  755    HG3  GLU 102           HG3      GLU 102  31.207   2.238   1.709
  756    H    ASP 103           H        ASP 103  32.387  -0.936   4.730
  757    HA   ASP 103           HA       ASP 103  30.640  -3.105   5.760
  758    HB2  ASP 103           HB2      ASP 103  32.154  -3.847   3.876
  759    HB3  ASP 103           HB3      ASP 103  33.534  -3.491   4.911
  760    HA   PRO 104           HA       PRO 104  32.680  -0.495   8.873
  761    HB2  PRO 104           HB2      PRO 104  30.543   0.521  10.264
  762    HB3  PRO 104           HB3      PRO 104  30.960   1.062   8.620
  763    HG2  PRO 104           HG2      PRO 104  28.974  -1.117   9.392
  764    HG3  PRO 104           HG3      PRO 104  28.677   0.323   8.357
  765    HD2  PRO 104           HD2      PRO 104  29.314  -2.103   7.316
  766    HD3  PRO 104           HD3      PRO 104  29.913  -0.576   6.592
  767    H    ASP 105           H        ASP 105  33.030  -3.142   9.234
  768    HA   ASP 105           HA       ASP 105  31.995  -4.171  11.763
  769    HB2  ASP 105           HB2      ASP 105  32.949  -5.717  10.173
  770    HB3  ASP 105           HB3      ASP 105  34.459  -4.814  10.095
  771    H    GLY 106           H        GLY 106  32.232  -2.763  13.467
  772    HA2  GLY 106           HA2      GLY 106  33.239  -1.666  15.195
  773    HA3  GLY 106           HA3      GLY 106  34.714  -2.551  14.787
  774    H    GLN 107           H        GLN 107  33.237  -0.321  12.458
  775    HA   GLN 107           HA       GLN 107  35.653   1.076  12.061
  776    HB2  GLN 107           HB2      GLN 107  32.808   1.271  11.120
  777    HB3  GLN 107           HB3      GLN 107  33.724   2.740  10.957
  778    HG2  GLN 107           HG2      GLN 107  34.711   0.065   9.939
  779    HG3  GLN 107           HG3      GLN 107  33.780   1.244   8.983
  780   HE21  GLN 107          HE22      GLN 107  35.582   1.112   7.464
  781   HE22  GLN 107          HE21      GLN 107  36.971   2.145   7.749
  782    H    SER 108           H        SER 108  35.853   3.359  11.930
  783    HA   SER 108           HA       SER 108  35.571   4.763  14.444
  784    HB2  SER 108           HB2      SER 108  36.297   5.779  11.654
  785    HB3  SER 108           HB3      SER 108  36.548   6.656  13.170
  786    HG   SER 108           HG       SER 108  38.465   5.559  12.480
  787    H    LEU 109           H        LEU 109  34.248   6.705  14.765
  788    HA   LEU 109           HA       LEU 109  31.572   6.425  13.916
  789    HB2  LEU 109           HB2      LEU 109  32.966   8.921  14.977
  790    HB3  LEU 109           HB3      LEU 109  31.226   8.735  14.758
  791    HG   LEU 109           HG       LEU 109  32.998   7.319  16.771
  792   HD11  LEU 109          HD11      LEU 109  32.229   9.610  17.313
  793   HD12  LEU 109          HD12      LEU 109  30.542   9.128  17.049
  794   HD13  LEU 109          HD13      LEU 109  31.481   8.418  18.382
  795   HD21  LEU 109          HD21      LEU 109  31.481   5.583  16.036
  796   HD22  LEU 109          HD22      LEU 109  30.905   6.196  17.584
  797   HD23  LEU 109          HD23      LEU 109  30.094   6.692  16.084
  798    H    GLU 110           H        GLU 110  34.188   8.354  12.477
  799    HA   GLU 110           HA       GLU 110  32.563   9.935  10.766
  800    HB2  GLU 110           HB2      GLU 110  35.356   8.822  10.253
  801    HB3  GLU 110           HB3      GLU 110  34.581  10.137   9.344
  802    HG2  GLU 110           HG2      GLU 110  34.310  11.370  11.512
  803    HG3  GLU 110           HG3      GLU 110  35.290  10.109  12.286
  804    H    VAL 111           H        VAL 111  33.851   6.609  10.328
  805    HA   VAL 111           HA       VAL 111  32.758   6.508   7.663
  806    HB   VAL 111           HB       VAL 111  33.819   4.301   9.453
  807   HG11  VAL 111          HG11      VAL 111  32.424   3.250   7.817
  808   HG12  VAL 111          HG12      VAL 111  33.015   4.316   6.518
  809   HG13  VAL 111          HG13      VAL 111  34.069   3.078   7.205
  810   HG21  VAL 111          HG21      VAL 111  35.116   5.875   7.173
  811   HG22  VAL 111          HG22      VAL 111  35.589   5.921   8.892
  812   HG23  VAL 111          HG23      VAL 111  35.840   4.456   7.953
  813    H    PHE 112           H        PHE 112  31.615   5.420  10.925
  814    HA   PHE 112           HA       PHE 112  29.183   4.271  10.004
  815    HB2  PHE 112           HB2      PHE 112  29.846   5.802  12.524
  816    HB3  PHE 112           HB3      PHE 112  28.198   5.414  12.089
  817    HD1  PHE 112           HD2      PHE 112  31.475   3.535  12.267
  818    HD2  PHE 112           HD1      PHE 112  27.245   3.605  13.122
  819    HE1  PHE 112           HE2      PHE 112  31.644   1.318  13.365
  820    HE2  PHE 112           HE1      PHE 112  27.439   1.382  14.217
  821    HZ   PHE 112           HZ       PHE 112  29.632   0.239  14.334
  822    H    ARG 113           H        ARG 113  29.901   7.777  10.602
  823    HA   ARG 113           HA       ARG 113  27.348   8.783   9.795
  824    HB2  ARG 113           HB2      ARG 113  30.091  10.082   9.374
  825    HB3  ARG 113           HB3      ARG 113  28.558  10.895   9.194
  826    HG2  ARG 113           HG2      ARG 113  28.072  10.597  11.612
  827    HG3  ARG 113           HG3      ARG 113  29.597   9.731  11.810
  828    HD2  ARG 113           HD2      ARG 113  30.823  11.752  10.971
  829    HD3  ARG 113           HD3      ARG 113  29.307  12.645  10.999
  830    HE   ARG 113           HE       ARG 113  30.909  11.628  13.276
  831   HH11  ARG 113          HH21      ARG 113  28.041  13.530  12.309
  832   HH12  ARG 113          HH22      ARG 113  27.659  13.982  13.954
  833   HH21  ARG 113          HH11      ARG 113  30.446  12.420  15.405
  834   HH22  ARG 113          HH12      ARG 113  29.073  13.443  15.655
  835    H    THR 114           H        THR 114  30.279   8.062   7.885
  836    HA   THR 114           HA       THR 114  29.246   9.162   5.483
  837    HB   THR 114           HB       THR 114  31.433   7.080   5.948
  838    HG1  THR 114           HG1      THR 114  31.930   8.985   7.012
  839   HG21  THR 114          HG21      THR 114  30.874   8.854   3.531
  840   HG22  THR 114          HG22      THR 114  32.365   7.911   3.783
  841   HG23  THR 114          HG23      THR 114  30.813   7.080   3.604
  842    H    VAL 115           H        VAL 115  29.231   5.855   6.864
  843    HA   VAL 115           HA       VAL 115  28.380   4.552   4.453
  844    HB   VAL 115           HB       VAL 115  27.954   3.674   7.351
  845   HG11  VAL 115          HG11      VAL 115  27.888   1.371   6.388
  846   HG12  VAL 115          HG12      VAL 115  26.527   2.383   5.895
  847   HG13  VAL 115          HG13      VAL 115  27.859   2.084   4.757
  848   HG21  VAL 115          HG21      VAL 115  30.460   3.850   5.955
  849   HG22  VAL 115          HG22      VAL 115  30.093   3.183   7.559
  850   HG23  VAL 115          HG23      VAL 115  30.059   2.133   6.160
  851    H    ARG 116           H        ARG 116  26.691   5.663   7.372
  852    HA   ARG 116           HA       ARG 116  24.006   5.333   6.686
  853    HB2  ARG 116           HB2      ARG 116  24.751   6.035   8.847
  854    HB3  ARG 116           HB3      ARG 116  25.682   7.352   8.181
  855    HG2  ARG 116           HG2      ARG 116  23.372   8.417   7.539
  856    HG3  ARG 116           HG3      ARG 116  22.753   7.259   8.734
  857    HD2  ARG 116           HD2      ARG 116  23.240   9.030  10.070
  858    HD3  ARG 116           HD3      ARG 116  24.791   8.115  10.159
  859    HE   ARG 116           HE       ARG 116  25.121   9.823   7.998
  860   HH11  ARG 116          HH21      ARG 116  24.459  10.360  11.471
  861   HH12  ARG 116          HH22      ARG 116  25.247  11.907  11.484
  862   HH21  ARG 116          HH11      ARG 116  26.042  11.906   8.021
  863   HH22  ARG 116          HH12      ARG 116  26.089  12.829   9.468
  864    H    GLY 117           H        GLY 117  26.141   8.171   5.744
  865    HA2  GLY 117           HA2      GLY 117  24.015   9.458   4.358
  866    HA3  GLY 117           HA3      GLY 117  25.749   9.754   4.101
  867    H    GLN 118           H        GLN 118  26.570   7.206   3.074
  868    HA   GLN 118           HA       GLN 118  25.592   7.426   0.408
  869    HB2  GLN 118           HB2      GLN 118  27.184   5.151   1.663
  870    HB3  GLN 118           HB3      GLN 118  26.919   5.435  -0.068
  871    HG2  GLN 118           HG2      GLN 118  27.873   7.859   0.494
  872    HG3  GLN 118           HG3      GLN 118  28.595   7.033   1.871
  873   HE21  GLN 118          HE22      GLN 118  30.160   5.202   1.418
  874   HE22  GLN 118          HE21      GLN 118  30.951   5.165  -0.148
  875    H    VAL 119           H        VAL 119  24.695   5.336   3.106
  876    HA   VAL 119           HA       VAL 119  22.906   3.636   1.631
  877    HB   VAL 119           HB       VAL 119  23.013   4.479   4.560
  878   HG11  VAL 119          HG11      VAL 119  21.142   2.476   3.280
  879   HG12  VAL 119          HG12      VAL 119  21.460   2.635   5.034
  880   HG13  VAL 119          HG13      VAL 119  20.692   3.961   4.151
  881   HG21  VAL 119          HG21      VAL 119  23.506   1.762   3.219
  882   HG22  VAL 119          HG22      VAL 119  24.814   2.895   3.566
  883   HG23  VAL 119          HG23      VAL 119  23.869   2.222   4.899
  884    H    LYS 120           H        LYS 120  22.490   6.889   3.212
  885    HA   LYS 120           HA       LYS 120  19.707   6.938   2.842
  886    HB2  LYS 120           HB2      LYS 120  19.720   8.986   3.687
  887    HB3  LYS 120           HB3      LYS 120  21.320   8.497   4.182
  888    HG2  LYS 120           HG2      LYS 120  22.314  10.196   3.149
  889    HG3  LYS 120           HG3      LYS 120  21.495   9.960   1.635
  890    HD2  LYS 120           HD2      LYS 120  20.225  11.275   4.070
  891    HD3  LYS 120           HD3      LYS 120  21.036  12.177   2.796
  892    HE2  LYS 120           HE2      LYS 120  18.815  10.258   2.020
  893    HE3  LYS 120           HE3      LYS 120  18.382  11.788   2.793
  894    HZ1  LYS 120           HZ1      LYS 120  18.407  11.923   0.362
  895    HZ2  LYS 120           HZ2      LYS 120  19.463  12.981   1.033
  896    HZ3  LYS 120           HZ3      LYS 120  20.018  11.614   0.313
  897    H    GLU 121           H        GLU 121  22.271   7.901   0.568
  898    HA   GLU 121           HA       GLU 121  20.430   8.758  -1.457
  899    HB2  GLU 121           HB2      GLU 121  23.285   7.688  -1.721
  900    HB3  GLU 121           HB3      GLU 121  22.375   8.460  -3.017
  901    HG2  GLU 121           HG2      GLU 121  23.245   9.779  -0.414
  902    HG3  GLU 121           HG3      GLU 121  23.967  10.009  -2.001
  903    H    ARG 122           H        ARG 122  21.904   5.539  -0.735
  904    HA   ARG 122           HA       ARG 122  20.844   4.165  -3.035
  905    HB2  ARG 122           HB2      ARG 122  21.572   3.226  -0.252
  906    HB3  ARG 122           HB3      ARG 122  21.005   2.168  -1.527
  907    HG2  ARG 122           HG2      ARG 122  23.142   3.981  -2.498
  908    HG3  ARG 122           HG3      ARG 122  23.656   3.029  -1.119
  909    HD2  ARG 122           HD2      ARG 122  24.131   2.008  -3.348
  910    HD3  ARG 122           HD3      ARG 122  23.275   0.995  -2.192
  911    HE   ARG 122           HE       ARG 122  21.438   0.886  -3.546
  912   HH11  ARG 122          HH11      ARG 122  23.567   3.373  -4.947
  913   HH12  ARG 122          HH12      ARG 122  22.887   3.250  -6.526
  914   HH21  ARG 122          HH22      ARG 122  20.617   0.623  -5.706
  915   HH22  ARG 122          HH21      ARG 122  21.134   1.723  -6.926
  916    H    VAL 123           H        VAL 123  19.493   4.633   0.303
  917    HA   VAL 123           HA       VAL 123  17.038   3.401  -0.094
  918    HB   VAL 123           HB       VAL 123  17.910   5.716   1.608
  919   HG11  VAL 123          HG11      VAL 123  15.572   5.932   1.604
  920   HG12  VAL 123          HG12      VAL 123  15.330   4.163   1.687
  921   HG13  VAL 123          HG13      VAL 123  15.978   5.071   3.077
  922   HG21  VAL 123          HG21      VAL 123  18.998   3.430   2.033
  923   HG22  VAL 123          HG22      VAL 123  18.141   4.134   3.394
  924   HG23  VAL 123          HG23      VAL 123  17.373   2.841   2.459
  925    H    GLU 124           H        GLU 124  17.901   6.852  -0.581
  926    HA   GLU 124           HA       GLU 124  15.298   7.539  -1.424
  927    HB2  GLU 124           HB2      GLU 124  16.949   8.970  -0.451
  928    HB3  GLU 124           HB3      GLU 124  17.936   8.909  -1.944
  929    HG2  GLU 124           HG2      GLU 124  16.003   9.857  -3.185
  930    HG3  GLU 124           HG3      GLU 124  15.084   9.925  -1.661
  931    H    ASN 125           H        ASN 125  18.096   6.371  -3.277
  932    HA   ASN 125           HA       ASN 125  17.004   6.757  -5.873
  933    HB2  ASN 125           HB2      ASN 125  19.102   4.942  -4.698
  934    HB3  ASN 125           HB3      ASN 125  18.438   4.521  -6.261
  935   HD21  ASN 125          HD22      ASN 125  20.130   7.150  -4.525
  936   HD22  ASN 125          HD21      ASN 125  20.799   7.902  -5.966
  937    H    LEU 126           H        LEU 126  16.821   3.965  -3.624
  938    HA   LEU 126           HA       LEU 126  15.175   2.335  -5.303
  939    HB2  LEU 126           HB2      LEU 126  16.038   1.100  -3.732
  940    HB3  LEU 126           HB3      LEU 126  16.104   2.393  -2.523
  941    HG   LEU 126           HG       LEU 126  13.383   1.304  -2.966
  942   HD11  LEU 126          HD11      LEU 126  13.937  -0.748  -1.609
  943   HD12  LEU 126          HD12      LEU 126  14.531  -0.737  -3.290
  944   HD13  LEU 126          HD13      LEU 126  15.636  -0.392  -1.932
  945   HD21  LEU 126          HD21      LEU 126  14.242   2.842  -1.035
  946   HD22  LEU 126          HD22      LEU 126  13.200   1.469  -0.611
  947   HD23  LEU 126          HD23      LEU 126  14.952   1.374  -0.364
  948    H    ILE 127           H        ILE 127  14.370   4.736  -2.855
  949    HA   ILE 127           HA       ILE 127  11.513   4.495  -2.905
  950    HB   ILE 127           HB       ILE 127  13.557   6.508  -2.092
  951   HG12  ILE 127          HG12      ILE 127  11.278   5.182  -0.511
  952   HG13  ILE 127          HG13      ILE 127  12.697   4.258  -0.942
  953   HG21  ILE 127          HG21      ILE 127  11.887   7.974  -1.106
  954   HG22  ILE 127          HG22      ILE 127  11.856   7.997  -2.868
  955   HG23  ILE 127          HG23      ILE 127  10.603   7.105  -1.975
  956   HD11  ILE 127          HD11      ILE 127  14.065   6.253   0.045
  957   HD12  ILE 127          HD12      ILE 127  12.514   6.639   0.820
  958   HD13  ILE 127          HD13      ILE 127  13.281   5.049   1.103
  959    H    ALA 128           H        ALA 128  13.814   6.498  -4.896
  960    HA   ALA 128           HA       ALA 128  11.827   7.924  -6.271
  961    HB1  ALA 128           HB1      ALA 128  14.265   8.480  -6.273
  962    HB2  ALA 128           HB2      ALA 128  14.549   7.084  -7.348
  963    HB3  ALA 128           HB3      ALA 128  13.556   8.444  -7.901
  964    H    LYS 129           H        LYS 129  12.908   4.576  -6.777
  965    HA   LYS 129           HA       LYS 129  11.642   4.312  -9.339
  966    HB2  LYS 129           HB2      LYS 129  12.418   2.162  -7.337
  967    HB3  LYS 129           HB3      LYS 129  12.037   1.907  -9.038
  968    HG2  LYS 129           HG2      LYS 129  14.015   3.128  -9.748
  969    HG3  LYS 129           HG3      LYS 129  14.366   3.626  -8.083
  970    HD2  LYS 129           HD2      LYS 129  14.588   1.269  -7.402
  971    HD3  LYS 129           HD3      LYS 129  14.378   0.783  -9.118
  972    HE2  LYS 129           HE2      LYS 129  16.304   2.395  -9.640
  973    HE3  LYS 129           HE3      LYS 129  16.597   2.484  -7.894
  974    HZ1  LYS 129           HZ1      LYS 129  16.709  -0.023  -9.509
  975    HZ2  LYS 129           HZ2      LYS 129  18.008   0.838  -9.041
  976    HZ3  LYS 129           HZ3      LYS 129  17.099   0.087  -7.912
  977    H    ILE 130           H        ILE 130  10.664   3.614  -5.956
  978    HA   ILE 130           HA       ILE 130   8.180   2.442  -6.915
  979    HB   ILE 130           HB       ILE 130   8.042   1.675  -4.535
  980   HG12  ILE 130          HG12      ILE 130  10.685   2.958  -4.209
  981   HG13  ILE 130          HG13      ILE 130   9.268   3.013  -3.193
  982   HG21  ILE 130          HG21      ILE 130   9.378  -0.214  -5.019
  983   HG22  ILE 130          HG22      ILE 130   8.864   0.398  -6.571
  984   HG23  ILE 130          HG23      ILE 130  10.525   0.732  -6.007
  985   HD11  ILE 130          HD11      ILE 130   9.656   0.516  -2.700
  986   HD12  ILE 130          HD12      ILE 130  11.201   0.682  -3.552
  987   HD13  ILE 130          HD13      ILE 130  10.907   1.630  -2.089
  988    H    SER 131           H        SER 131   9.073   5.257  -4.967
  989    HA   SER 131           HA       SER 131   6.373   5.525  -3.997
  990    HB2  SER 131           HB2      SER 131   8.891   7.145  -3.514
  991    HB3  SER 131           HB3      SER 131   7.385   7.254  -2.591
  992    HG   SER 131           HG       SER 131   8.811   5.820  -1.506
  Start of MODEL   17
    1    H    MET   1           H        MET   1   1.580  -1.623   3.552
    2    HA   MET   1           HA       MET   1   0.987  -0.492   0.897
    3    HB2  MET   1           HB2      MET   1   1.186   1.062   3.043
    4    HB3  MET   1           HB3      MET   1   2.911   0.762   2.905
    5    HG2  MET   1           HG2      MET   1   2.275   2.849   1.817
    6    HG3  MET   1           HG3      MET   1   2.865   1.721   0.612
    7    HE1  MET   1           HE1      MET   1   1.786   3.472  -1.237
    8    HE2  MET   1           HE2      MET   1   0.085   3.988  -1.170
    9    HE3  MET   1           HE3      MET   1   1.208   4.471   0.120
   10    H    LYS   2           H        LYS   2   3.038  -0.281  -0.512
   11    HA   LYS   2           HA       LYS   2   4.240  -2.723  -0.867
   12    HB2  LYS   2           HB2      LYS   2   5.733  -0.161  -1.626
   13    HB3  LYS   2           HB3      LYS   2   5.852  -1.728  -2.347
   14    HG2  LYS   2           HG2      LYS   2   4.565  -0.749  -3.915
   15    HG3  LYS   2           HG3      LYS   2   3.323  -1.447  -2.898
   16    HD2  LYS   2           HD2      LYS   2   2.512   0.746  -3.322
   17    HD3  LYS   2           HD3      LYS   2   3.217   0.908  -1.732
   18    HE2  LYS   2           HE2      LYS   2   4.288   2.732  -2.513
   19    HE3  LYS   2           HE3      LYS   2   5.398   1.598  -3.304
   20    HZ1  LYS   2           HZ1      LYS   2   3.909   1.695  -5.293
   21    HZ2  LYS   2           HZ2      LYS   2   2.983   2.827  -4.550
   22    HZ3  LYS   2           HZ3      LYS   2   4.548   3.152  -4.911
   23    H    LYS   3           H        LYS   3   5.686  -3.920   0.352
   24    HA   LYS   3           HA       LYS   3   7.040  -2.436   2.514
   25    HB2  LYS   3           HB2      LYS   3   7.112  -5.412   2.205
   26    HB3  LYS   3           HB3      LYS   3   7.296  -4.443   3.655
   27    HG2  LYS   3           HG2      LYS   3   4.857  -3.879   3.540
   28    HG3  LYS   3           HG3      LYS   3   4.721  -4.860   2.071
   29    HD2  LYS   3           HD2      LYS   3   3.886  -6.018   4.071
   30    HD3  LYS   3           HD3      LYS   3   5.205  -6.882   3.279
   31    HE2  LYS   3           HE2      LYS   3   6.783  -6.296   4.945
   32    HE3  LYS   3           HE3      LYS   3   5.713  -5.077   5.673
   33    HZ1  LYS   3           HZ1      LYS   3   5.058  -7.975   5.631
   34    HZ2  LYS   3           HZ2      LYS   3   5.823  -7.244   6.897
   35    HZ3  LYS   3           HZ3      LYS   3   4.298  -6.808   6.485
   36    H    VAL   4           H        VAL   4   9.148  -2.291   2.804
   37    HA   VAL   4           HA       VAL   4  10.923  -3.502   0.758
   38    HB   VAL   4           HB       VAL   4  11.585  -1.194   2.580
   39   HG11  VAL   4          HG11      VAL   4  13.010  -2.693   0.382
   40   HG12  VAL   4          HG12      VAL   4  13.368  -0.954   0.606
   41   HG13  VAL   4          HG13      VAL   4  13.609  -2.126   1.905
   42   HG21  VAL   4          HG21      VAL   4   9.788  -0.448   1.013
   43   HG22  VAL   4          HG22      VAL   4  11.332   0.301   0.611
   44   HG23  VAL   4          HG23      VAL   4  10.733  -1.062  -0.363
   45    H    MET   5           H        MET   5  12.939  -4.419   1.600
   46    HA   MET   5           HA       MET   5  13.023  -4.933   4.512
   47    HB2  MET   5           HB2      MET   5  11.858  -6.803   3.362
   48    HB3  MET   5           HB3      MET   5  13.286  -7.002   2.314
   49    HG2  MET   5           HG2      MET   5  13.199  -8.655   4.151
   50    HG3  MET   5           HG3      MET   5  14.653  -7.669   4.189
   51    HE1  MET   5           HE1      MET   5  11.625  -8.988   6.059
   52    HE2  MET   5           HE2      MET   5  13.211  -9.578   6.584
   53    HE3  MET   5           HE3      MET   5  12.201  -8.644   7.706
   54    H    PHE   6           H        PHE   6  15.108  -4.615   5.186
   55    HA   PHE   6           HA       PHE   6  17.200  -4.420   3.108
   56    HB2  PHE   6           HB2      PHE   6  17.073  -3.057   5.790
   57    HB3  PHE   6           HB3      PHE   6  18.403  -2.941   4.633
   58    HD1  PHE   6           HD1      PHE   6  14.955  -1.991   5.381
   59    HD2  PHE   6           HD2      PHE   6  18.098  -1.725   2.455
   60    HE1  PHE   6           HE1      PHE   6  13.582  -0.497   4.043
   61    HE2  PHE   6           HE2      PHE   6  16.791  -0.015   1.225
   62    HZ   PHE   6           HZ       PHE   6  14.550   0.686   2.049
   63    H    VAL   7           H        VAL   7  18.978  -6.004   3.422
   64    HA   VAL   7           HA       VAL   7  18.726  -7.699   5.887
   65    HB   VAL   7           HB       VAL   7  19.699  -8.657   3.197
   66   HG11  VAL   7          HG11      VAL   7  20.240 -10.064   5.110
   67   HG12  VAL   7          HG12      VAL   7  18.533 -10.110   5.593
   68   HG13  VAL   7          HG13      VAL   7  19.055 -10.843   4.064
   69   HG21  VAL   7          HG21      VAL   7  17.423  -7.814   2.728
   70   HG22  VAL   7          HG22      VAL   7  17.470  -9.575   2.751
   71   HG23  VAL   7          HG23      VAL   7  16.804  -8.688   4.139
   72    H    CYS   8           H        CYS   8  20.498  -7.457   7.246
   73    HA   CYS   8           HA       CYS   8  23.025  -6.483   6.070
   74    HB2  CYS   8           HB2      CYS   8  21.814  -6.351   8.738
   75    HB3  CYS   8           HB3      CYS   8  23.391  -7.100   8.851
   76    HG   CYS   8           HG       CYS   8  24.149  -4.847   9.267
   77    H    LYS   9           H        LYS   9  24.984  -7.332   6.963
   78    HA   LYS   9           HA       LYS   9  25.357 -10.036   7.868
   79    HB2  LYS   9           HB2      LYS   9  26.537  -9.051   5.200
   80    HB3  LYS   9           HB3      LYS   9  27.285 -10.329   6.151
   81    HG2  LYS   9           HG2      LYS   9  24.517 -10.437   4.911
   82    HG3  LYS   9           HG3      LYS   9  25.976 -11.244   4.330
   83    HD2  LYS   9           HD2      LYS   9  26.030 -12.493   6.595
   84    HD3  LYS   9           HD3      LYS   9  24.423 -11.815   6.883
   85    HE2  LYS   9           HE2      LYS   9  23.940 -13.922   6.037
   86    HE3  LYS   9           HE3      LYS   9  23.702 -12.862   4.648
   87    HZ1  LYS   9           HZ1      LYS   9  24.968 -14.863   4.073
   88    HZ2  LYS   9           HZ2      LYS   9  25.948 -13.573   3.864
   89    HZ3  LYS   9           HZ3      LYS   9  26.117 -14.537   5.180
   90    H    ARG  10           H        ARG  10  27.426  -9.944   9.075
   91    HA   ARG  10           HA       ARG  10  28.696  -8.851  10.588
   92    HB2  ARG  10           HB2      ARG  10  30.063  -8.341   8.621
   93    HB3  ARG  10           HB3      ARG  10  29.237  -6.804   8.392
   94    HG2  ARG  10           HG2      ARG  10  30.294  -5.769  10.125
   95    HG3  ARG  10           HG3      ARG  10  30.478  -7.254  11.090
   96    HD2  ARG  10           HD2      ARG  10  32.085  -6.534   8.625
   97    HD3  ARG  10           HD3      ARG  10  32.622  -6.281  10.284
   98    HE   ARG  10           HE       ARG  10  32.534  -8.775   8.762
   99   HH11  ARG  10          HH11      ARG  10  32.858  -7.414  12.056
  100   HH12  ARG  10          HH12      ARG  10  33.459  -8.894  12.726
  101   HH21  ARG  10          HH21      ARG  10  33.352 -10.706   9.671
  102   HH22  ARG  10          HH22      ARG  10  33.790 -10.780  11.338
  103    H    ASN  11           H        ASN  11  28.831  -5.966  11.164
  104    HA   ASN  11           HA       ASN  11  26.800  -6.005  12.980
  105    HB2  ASN  11           HB2      ASN  11  28.930  -4.578  12.912
  106    HB3  ASN  11           HB3      ASN  11  27.969  -3.370  12.050
  107   HD21  ASN  11          HD22      ASN  11  29.140  -2.798  14.536
  108   HD22  ASN  11          HD21      ASN  11  27.888  -2.645  15.752
  109    H    SER  12           H        SER  12  24.816  -5.404  13.204
  110    HA   SER  12           HA       SER  12  22.877  -5.363  11.335
  111    HB2  SER  12           HB2      SER  12  22.889  -3.948  14.037
  112    HB3  SER  12           HB3      SER  12  21.518  -4.768  13.279
  113    HG   SER  12           HG       SER  12  22.674  -6.035  14.921
  114    H    CYS  13           H        CYS  13  24.758  -2.581  12.317
  115    HA   CYS  13           HA       CYS  13  23.106  -0.477  12.167
  116    HB2  CYS  13           HB2      CYS  13  25.895  -0.377  10.928
  117    HB3  CYS  13           HB3      CYS  13  25.074   0.886  11.851
  118    HG   CYS  13           HG       CYS  13  27.174  -0.261  13.106
  119    H    ARG  14           H        ARG  14  24.675  -1.867   9.198
  120    HA   ARG  14           HA       ARG  14  23.808   0.477   7.706
  121    HB2  ARG  14           HB2      ARG  14  24.734  -0.608   5.681
  122    HB3  ARG  14           HB3      ARG  14  25.848  -0.377   7.015
  123    HG2  ARG  14           HG2      ARG  14  25.642  -2.774   7.624
  124    HG3  ARG  14           HG3      ARG  14  24.579  -3.022   6.227
  125    HD2  ARG  14           HD2      ARG  14  26.388  -2.555   4.685
  126    HD3  ARG  14           HD3      ARG  14  27.455  -2.046   6.008
  127    HE   ARG  14           HE       ARG  14  26.625  -4.632   6.666
  128   HH11  ARG  14          HH21      ARG  14  28.522  -3.204   3.974
  129   HH12  ARG  14          HH22      ARG  14  29.521  -4.598   3.810
  130   HH21  ARG  14          HH11      ARG  14  27.923  -6.465   6.371
  131   HH22  ARG  14          HH12      ARG  14  29.173  -6.488   5.170
  132    H    SER  15           H        SER  15  22.337  -2.863   7.878
  133    HA   SER  15           HA       SER  15  20.444  -2.055   5.807
  134    HB2  SER  15           HB2      SER  15  19.415  -4.207   6.343
  135    HB3  SER  15           HB3      SER  15  21.175  -4.374   6.125
  136    HG   SER  15           HG       SER  15  19.926  -5.215   8.226
  137    H    GLN  16           H        GLN  16  20.430  -2.387   9.404
  138    HA   GLN  16           HA       GLN  16  17.696  -1.608   9.570
  139    HB2  GLN  16           HB2      GLN  16  17.878  -1.970  11.781
  140    HB3  GLN  16           HB3      GLN  16  19.329  -2.816  11.255
  141    HG2  GLN  16           HG2      GLN  16  20.701  -0.815  11.821
  142    HG3  GLN  16           HG3      GLN  16  19.221   0.006  12.350
  143   HE21  GLN  16          HE22      GLN  16  18.157  -0.644  14.375
  144   HE22  GLN  16          HE21      GLN  16  19.036  -1.622  15.497
  145    H    MET  17           H        MET  17  20.657   0.356   9.369
  146    HA   MET  17           HA       MET  17  19.405   2.897   9.835
  147    HB2  MET  17           HB2      MET  17  21.843   2.689   9.748
  148    HB3  MET  17           HB3      MET  17  21.721   2.094   8.058
  149    HG2  MET  17           HG2      MET  17  22.419   4.366   8.048
  150    HG3  MET  17           HG3      MET  17  20.854   4.250   7.296
  151    HE1  MET  17           HE1      MET  17  18.775   6.498  10.135
  152    HE2  MET  17           HE2      MET  17  18.589   5.967   8.472
  153    HE3  MET  17           HE3      MET  17  18.583   4.759   9.792
  154    H    ALA  18           H        ALA  18  19.848   0.837   6.907
  155    HA   ALA  18           HA       ALA  18  18.715   2.737   5.149
  156    HB1  ALA  18           HB1      ALA  18  18.637  -0.296   4.889
  157    HB2  ALA  18           HB2      ALA  18  18.636   0.904   3.568
  158    HB3  ALA  18           HB3      ALA  18  20.083   0.680   4.593
  159    H    GLU  19           H        GLU  19  17.154   0.173   7.149
  160    HA   GLU  19           HA       GLU  19  14.499   0.865   6.446
  161    HB2  GLU  19           HB2      GLU  19  14.871  -1.123   7.720
  162    HB3  GLU  19           HB3      GLU  19  15.670  -0.229   9.020
  163    HG2  GLU  19           HG2      GLU  19  13.536   0.903   9.569
  164    HG3  GLU  19           HG3      GLU  19  12.733   0.020   8.270
  165    H    GLY  20           H        GLY  20  16.715   2.441   8.906
  166    HA2  GLY  20           HA2      GLY  20  14.653   4.001  10.083
  167    HA3  GLY  20           HA3      GLY  20  16.394   4.329  10.131
  168    H    PHE  21           H        PHE  21  17.017   4.750   7.440
  169    HA   PHE  21           HA       PHE  21  15.948   7.423   6.959
  170    HB2  PHE  21           HB2      PHE  21  17.694   5.503   5.391
  171    HB3  PHE  21           HB3      PHE  21  17.017   6.922   4.609
  172    HD1  PHE  21           HD2      PHE  21  17.279   9.209   6.106
  173    HD2  PHE  21           HD1      PHE  21  19.940   5.806   6.130
  174    HE1  PHE  21           HE2      PHE  21  19.128  10.643   6.893
  175    HE2  PHE  21           HE1      PHE  21  21.751   7.216   6.852
  176    HZ   PHE  21           HZ       PHE  21  21.379   9.664   7.299
  177    H    ALA  22           H        ALA  22  15.195   4.117   5.655
  178    HA   ALA  22           HA       ALA  22  13.495   5.231   3.653
  179    HB1  ALA  22           HB1      ALA  22  13.715   2.427   4.779
  180    HB2  ALA  22           HB2      ALA  22  12.753   2.861   3.339
  181    HB3  ALA  22           HB3      ALA  22  14.526   3.051   3.352
  182    H    LYS  23           H        LYS  23  12.710   4.057   6.994
  183    HA   LYS  23           HA       LYS  23   9.894   4.395   6.572
  184    HB2  LYS  23           HB2      LYS  23   9.609   3.883   8.828
  185    HB3  LYS  23           HB3      LYS  23  11.048   2.986   8.346
  186    HG2  LYS  23           HG2      LYS  23  12.422   4.879   9.358
  187    HG3  LYS  23           HG3      LYS  23  10.919   5.569   9.976
  188    HD2  LYS  23           HD2      LYS  23  10.530   3.352  11.178
  189    HD3  LYS  23           HD3      LYS  23  12.169   2.886  10.670
  190    HE2  LYS  23           HE2      LYS  23  13.016   5.020  11.799
  191    HE3  LYS  23           HE3      LYS  23  11.375   5.275  12.413
  192    HZ1  LYS  23           HZ1      LYS  23  13.184   3.015  13.009
  193    HZ2  LYS  23           HZ2      LYS  23  12.702   4.167  14.072
  194    HZ3  LYS  23           HZ3      LYS  23  11.604   3.074  13.536
  195    H    THR  24           H        THR  24  12.424   6.626   7.358
  196    HA   THR  24           HA       THR  24  10.801   8.890   8.112
  197    HB   THR  24           HB       THR  24  13.638   8.101   7.559
  198    HG1  THR  24           HG1      THR  24  12.410   9.495   9.720
  199   HG21  THR  24          HG21      THR  24  12.995  11.024   7.779
  200   HG22  THR  24          HG22      THR  24  14.604  10.227   7.890
  201   HG23  THR  24          HG23      THR  24  13.695  10.164   6.377
  202    H    LEU  25           H        LEU  25  12.577   7.924   5.160
  203    HA   LEU  25           HA       LEU  25  11.749  10.275   3.735
  204    HB2  LEU  25           HB2      LEU  25  13.423   7.862   3.101
  205    HB3  LEU  25           HB3      LEU  25  13.079   9.090   1.873
  206    HG   LEU  25           HG       LEU  25  14.509   9.560   4.498
  207   HD11  LEU  25          HD11      LEU  25  16.527   9.799   3.053
  208   HD12  LEU  25          HD12      LEU  25  15.850   8.176   2.925
  209   HD13  LEU  25          HD13      LEU  25  15.543   9.358   1.633
  210   HD21  LEU  25          HD21      LEU  25  14.041  11.396   2.100
  211   HD22  LEU  25          HD22      LEU  25  13.408  11.621   3.755
  212   HD23  LEU  25          HD23      LEU  25  15.136  11.753   3.457
  213    H    GLY  26           H        GLY  26  10.755   6.905   3.796
  214    HA2  GLY  26           HA2      GLY  26   9.089   7.050   1.351
  215    HA3  GLY  26           HA3      GLY  26   9.567   5.620   2.311
  216    H    ALA  27           H        ALA  27   8.536   8.223   4.232
  217    HA   ALA  27           HA       ALA  27   6.658   6.612   5.562
  218    HB1  ALA  27           HB1      ALA  27   6.999   9.657   5.657
  219    HB2  ALA  27           HB2      ALA  27   6.251   8.635   6.908
  220    HB3  ALA  27           HB3      ALA  27   7.990   8.504   6.561
  221    H    GLY  28           H        GLY  28   4.605   6.142   5.094
  222    HA2  GLY  28           HA2      GLY  28   2.424   6.419   4.414
  223    HA3  GLY  28           HA3      GLY  28   2.787   8.096   3.948
  224    H    LYS  29           H        LYS  29   5.004   5.960   2.472
  225    HA   LYS  29           HA       LYS  29   3.446   5.903  -0.041
  226    HB2  LYS  29           HB2      LYS  29   6.377   6.436   0.452
  227    HB3  LYS  29           HB3      LYS  29   5.639   6.225  -1.138
  228    HG2  LYS  29           HG2      LYS  29   4.847   8.361   0.866
  229    HG3  LYS  29           HG3      LYS  29   6.028   8.614  -0.421
  230    HD2  LYS  29           HD2      LYS  29   4.229   8.078  -2.109
  231    HD3  LYS  29           HD3      LYS  29   3.057   7.977  -0.774
  232    HE2  LYS  29           HE2      LYS  29   3.577  10.321  -0.135
  233    HE3  LYS  29           HE3      LYS  29   4.738  10.430  -1.467
  234    HZ1  LYS  29           HZ1      LYS  29   1.812  10.010  -1.767
  235    HZ2  LYS  29           HZ2      LYS  29   2.617  11.390  -2.091
  236    HZ3  LYS  29           HZ3      LYS  29   2.875  10.067  -3.014
  237    H    ILE  30           H        ILE  30   6.016   4.443   1.989
  238    HA   ILE  30           HA       ILE  30   5.270   1.773   1.013
  239    HB   ILE  30           HB       ILE  30   7.690   1.197   0.697
  240   HG12  ILE  30          HG12      ILE  30   9.189   3.086  -0.103
  241   HG13  ILE  30          HG13      ILE  30   8.156   4.218   0.753
  242   HG21  ILE  30          HG21      ILE  30   5.932   1.866  -1.063
  243   HG22  ILE  30          HG22      ILE  30   6.859   3.369  -1.250
  244   HG23  ILE  30          HG23      ILE  30   7.608   1.785  -1.558
  245   HD11  ILE  30          HD11      ILE  30   9.607   1.853   2.020
  246   HD12  ILE  30          HD12      ILE  30  10.235   3.507   1.988
  247   HD13  ILE  30          HD13      ILE  30   8.745   3.158   2.888
  248    H    ALA  31           H        ALA  31   6.338   0.118   2.327
  249    HA   ALA  31           HA       ALA  31   6.244   0.858   5.234
  250    HB1  ALA  31           HB1      ALA  31   5.588  -1.528   5.583
  251    HB2  ALA  31           HB2      ALA  31   4.390  -0.633   4.620
  252    HB3  ALA  31           HB3      ALA  31   5.525  -1.746   3.825
  253    H    VAL  32           H        VAL  32   7.926  -0.319   6.539
  254    HA   VAL  32           HA       VAL  32  10.217  -1.169   4.894
  255    HB   VAL  32           HB       VAL  32  10.409   0.908   7.082
  256   HG11  VAL  32          HG11      VAL  32  12.409   1.480   6.159
  257   HG12  VAL  32          HG12      VAL  32  12.427  -0.287   6.018
  258   HG13  VAL  32          HG13      VAL  32  12.030   0.724   4.584
  259   HG21  VAL  32          HG21      VAL  32   8.884   2.084   5.607
  260   HG22  VAL  32          HG22      VAL  32  10.485   2.690   5.227
  261   HG23  VAL  32          HG23      VAL  32   9.774   1.494   4.181
  262    H    THR  33           H        THR  33  11.508  -2.716   5.846
  263    HA   THR  33           HA       THR  33  11.512  -3.136   8.766
  264    HB   THR  33           HB       THR  33  11.084  -5.402   6.877
  265    HG1  THR  33           HG1      THR  33   9.014  -3.957   8.192
  266   HG21  THR  33          HG21      THR  33  11.814  -6.171   9.040
  267   HG22  THR  33          HG22      THR  33  10.618  -5.144   9.869
  268   HG23  THR  33          HG23      THR  33  10.106  -6.542   8.897
  269    H    SER  34           H        SER  34  13.430  -4.713   9.297
  270    HA   SER  34           HA       SER  34  15.293  -5.147   7.077
  271    HB2  SER  34           HB2      SER  34  17.230  -4.356   8.389
  272    HB3  SER  34           HB3      SER  34  16.121  -3.064   7.926
  273    HG   SER  34           HG       SER  34  15.292  -2.997   9.987
  274    H    CYS  35           H        CYS  35  17.138  -6.674   7.840
  275    HA   CYS  35           HA       CYS  35  16.652  -8.278  10.203
  276    HB2  CYS  35           HB2      CYS  35  16.200 -10.414   8.966
  277    HB3  CYS  35           HB3      CYS  35  14.906  -9.223   8.782
  278    HG   CYS  35           HG       CYS  35  15.620  -8.301   6.480
  279    H    GLY  36           H        GLY  36  18.192 -10.351   9.914
  280    HA2  GLY  36           HA2      GLY  36  20.355 -11.161   9.518
  281    HA3  GLY  36           HA3      GLY  36  20.580  -9.921   8.276
  282    H    LEU  37           H        LEU  37  19.611  -9.370  11.683
  283    HA   LEU  37           HA       LEU  37  21.587  -7.247  11.924
  284    HB2  LEU  37           HB2      LEU  37  19.608  -8.366  13.934
  285    HB3  LEU  37           HB3      LEU  37  20.637  -6.979  14.187
  286    HG   LEU  37           HG       LEU  37  18.116  -7.237  12.679
  287   HD11  LEU  37          HD11      LEU  37  17.622  -5.157  13.809
  288   HD12  LEU  37          HD12      LEU  37  18.498  -6.158  14.956
  289   HD13  LEU  37          HD13      LEU  37  19.337  -4.835  14.120
  290   HD21  LEU  37          HD21      LEU  37  18.375  -5.214  11.359
  291   HD22  LEU  37          HD22      LEU  37  20.106  -5.137  11.736
  292   HD23  LEU  37          HD23      LEU  37  19.463  -6.482  10.780
  293    H    GLU  38           H        GLU  38  23.236  -9.161  11.465
  294    HA   GLU  38           HA       GLU  38  24.976 -10.436  12.050
  295    HB2  GLU  38           HB2      GLU  38  25.224  -8.033  13.175
  296    HB3  GLU  38           HB3      GLU  38  25.116  -8.991  14.667
  297    HG2  GLU  38           HG2      GLU  38  27.100 -10.287  14.005
  298    HG3  GLU  38           HG3      GLU  38  27.085  -9.550  12.408
  299    H    SER  39           H        SER  39  22.237 -11.141  13.577
  300    HA   SER  39           HA       SER  39  21.460 -12.603  15.093
  301    HB2  SER  39           HB2      SER  39  24.182 -13.935  14.887
  302    HB3  SER  39           HB3      SER  39  22.725 -14.663  15.593
  303    HG   SER  39           HG       SER  39  23.069 -15.311  13.393
  304    H    SER  40           H        SER  40  22.863 -10.154  15.791
  305    HA   SER  40           HA       SER  40  23.304 -10.613  18.707
  306    HB2  SER  40           HB2      SER  40  24.911  -8.755  16.913
  307    HB3  SER  40           HB3      SER  40  25.110  -8.973  18.658
  308    HG   SER  40           HG       SER  40  26.641 -10.216  17.466
  309    H    ARG  41           H        ARG  41  21.201  -9.290  16.600
  310    HA   ARG  41           HA       ARG  41  19.585  -7.718  16.743
  311    HB2  ARG  41           HB2      ARG  41  20.281  -7.541  19.707
  312    HB3  ARG  41           HB3      ARG  41  18.827  -6.935  18.931
  313    HG2  ARG  41           HG2      ARG  41  17.974  -8.852  19.733
  314    HG3  ARG  41           HG3      ARG  41  18.493  -9.438  18.151
  315    HD2  ARG  41           HD2      ARG  41  20.556 -10.371  19.213
  316    HD3  ARG  41           HD3      ARG  41  20.014  -9.734  20.781
  317    HE   ARG  41           HE       ARG  41  17.983 -11.380  19.610
  318   HH11  ARG  41          HH11      ARG  41  21.140 -11.682  21.233
  319   HH12  ARG  41          HH12      ARG  41  20.830 -13.270  21.836
  320   HH21  ARG  41          HH21      ARG  41  17.571 -13.494  20.430
  321   HH22  ARG  41          HH22      ARG  41  18.762 -14.317  21.370
  322    H    VAL  42           H        VAL  42  19.592  -5.249  18.404
  323    HA   VAL  42           HA       VAL  42  20.872  -3.654  16.402
  324    HB   VAL  42           HB       VAL  42  19.868  -1.826  17.569
  325   HG11  VAL  42          HG11      VAL  42  18.308  -3.533  16.438
  326   HG12  VAL  42          HG12      VAL  42  17.864  -4.057  18.071
  327   HG13  VAL  42          HG13      VAL  42  17.571  -2.386  17.573
  328   HG21  VAL  42          HG21      VAL  42  19.470  -3.609  20.006
  329   HG22  VAL  42          HG22      VAL  42  20.580  -2.225  19.886
  330   HG23  VAL  42          HG23      VAL  42  18.833  -1.966  19.814
  331    H    HIS  43           H        HIS  43  22.098  -1.658  17.091
  332    HA   HIS  43           HA       HIS  43  24.285  -2.308  18.986
  333    HB2  HIS  43           HB2      HIS  43  24.793  -3.151  16.716
  334    HB3  HIS  43           HB3      HIS  43  24.544  -1.547  16.049
  335    HD1  HIS  43           HD1      HIS  43  26.965  -3.271  18.595
  336    HD2  HIS  43           HD2      HIS  43  26.616   0.053  16.036
  337    HE1  HIS  43           HE1      HIS  43  29.212  -2.076  18.654
  338    HA   PRO  44           HA       PRO  44  22.761   1.765  19.969
  339    HB2  PRO  44           HB2      PRO  44  24.468   2.561  21.940
  340    HB3  PRO  44           HB3      PRO  44  23.304   1.216  22.167
  341    HG2  PRO  44           HG2      PRO  44  26.198   1.033  21.245
  342    HG3  PRO  44           HG3      PRO  44  25.462   0.198  22.674
  343    HD2  PRO  44           HD2      PRO  44  25.609  -1.137  20.358
  344    HD3  PRO  44           HD3      PRO  44  24.032  -1.153  21.224
  345    H    THR  45           H        THR  45  26.240   1.403  19.025
  346    HA   THR  45           HA       THR  45  26.722   4.120  18.776
  347    HB   THR  45           HB       THR  45  27.835   1.976  16.919
  348    HG1  THR  45           HG1      THR  45  28.905   1.223  18.538
  349   HG21  THR  45          HG21      THR  45  28.966   4.645  17.860
  350   HG22  THR  45          HG22      THR  45  29.898   3.399  16.989
  351   HG23  THR  45          HG23      THR  45  28.529   4.186  16.201
  352    H    ALA  46           H        ALA  46  24.934   1.898  16.617
  353    HA   ALA  46           HA       ALA  46  24.853   3.701  14.367
  354    HB1  ALA  46           HB1      ALA  46  23.225   2.194  13.424
  355    HB2  ALA  46           HB2      ALA  46  24.387   1.184  14.297
  356    HB3  ALA  46           HB3      ALA  46  22.811   1.527  15.027
  357    H    ILE  47           H        ILE  47  22.773   3.076  17.196
  358    HA   ILE  47           HA       ILE  47  20.642   4.816  16.452
  359    HB   ILE  47           HB       ILE  47  21.620   3.789  19.071
  360   HG12  ILE  47          HG12      ILE  47  19.372   2.760  19.113
  361   HG13  ILE  47          HG13      ILE  47  19.063   3.345  17.461
  362   HG21  ILE  47          HG21      ILE  47  19.253   5.669  18.679
  363   HG22  ILE  47          HG22      ILE  47  19.570   4.736  20.155
  364   HG23  ILE  47          HG23      ILE  47  20.697   5.985  19.668
  365   HD11  ILE  47          HD11      ILE  47  20.865   1.837  16.671
  366   HD12  ILE  47          HD12      ILE  47  21.182   1.356  18.372
  367   HD13  ILE  47          HD13      ILE  47  19.634   0.969  17.625
  368    H    ALA  48           H        ALA  48  23.612   5.468  18.431
  369    HA   ALA  48           HA       ALA  48  23.021   8.204  18.813
  370    HB1  ALA  48           HB1      ALA  48  25.756   6.880  18.611
  371    HB2  ALA  48           HB2      ALA  48  25.401   8.505  19.258
  372    HB3  ALA  48           HB3      ALA  48  24.768   7.065  20.088
  373    H    MET  49           H        MET  49  24.826   6.593  16.197
  374    HA   MET  49           HA       MET  49  25.539   8.919  14.735
  375    HB2  MET  49           HB2      MET  49  25.033   6.047  13.899
  376    HB3  MET  49           HB3      MET  49  25.624   7.271  12.781
  377    HG2  MET  49           HG2      MET  49  27.053   6.769  15.410
  378    HG3  MET  49           HG3      MET  49  27.299   5.732  14.032
  379    HE1  MET  49           HE1      MET  49  28.653   8.400  15.943
  380    HE2  MET  49           HE2      MET  49  29.188   9.723  14.872
  381    HE3  MET  49           HE3      MET  49  27.466   9.532  15.263
  382    H    MET  50           H        MET  50  22.435   7.223  14.957
  383    HA   MET  50           HA       MET  50  21.475   8.779  12.623
  384    HB2  MET  50           HB2      MET  50  19.997   6.787  14.370
  385    HB3  MET  50           HB3      MET  50  19.460   7.479  12.833
  386    HG2  MET  50           HG2      MET  50  21.215   5.260  13.355
  387    HG3  MET  50           HG3      MET  50  20.297   5.640  11.927
  388    HE1  MET  50           HE1      MET  50  23.763   4.529  12.628
  389    HE2  MET  50           HE2      MET  50  22.516   4.029  11.462
  390    HE3  MET  50           HE3      MET  50  24.068   4.726  10.893
  391    H    GLU  51           H        GLU  51  21.307   8.766  16.147
  392    HA   GLU  51           HA       GLU  51  19.328  10.765  16.379
  393    HB2  GLU  51           HB2      GLU  51  20.199   9.249  18.210
  394    HB3  GLU  51           HB3      GLU  51  21.733  10.127  18.208
  395    HG2  GLU  51           HG2      GLU  51  20.557  12.201  18.880
  396    HG3  GLU  51           HG3      GLU  51  19.006  11.360  18.804
  397    H    GLU  52           H        GLU  52  22.795  10.915  15.626
  398    HA   GLU  52           HA       GLU  52  23.195  13.706  15.694
  399    HB2  GLU  52           HB2      GLU  52  24.178  11.695  13.623
  400    HB3  GLU  52           HB3      GLU  52  24.734  13.357  13.746
  401    HG2  GLU  52           HG2      GLU  52  25.430  12.733  16.171
  402    HG3  GLU  52           HG3      GLU  52  25.317  11.063  15.608
  403    H    VAL  53           H        VAL  53  21.164  11.819  13.563
  404    HA   VAL  53           HA       VAL  53  20.771  14.010  11.608
  405    HB   VAL  53           HB       VAL  53  19.682  11.178  11.460
  406   HG11  VAL  53          HG11      VAL  53  20.422  13.179   9.297
  407   HG12  VAL  53          HG12      VAL  53  19.805  11.533   9.033
  408   HG13  VAL  53          HG13      VAL  53  18.778  12.733   9.812
  409   HG21  VAL  53          HG21      VAL  53  21.628  10.505  10.095
  410   HG22  VAL  53          HG22      VAL  53  22.444  12.031  10.516
  411   HG23  VAL  53          HG23      VAL  53  22.062  10.822  11.769
  412    H    GLY  54           H        GLY  54  19.392  12.569  14.412
  413    HA2  GLY  54           HA2      GLY  54  17.394  12.943  15.507
  414    HA3  GLY  54           HA3      GLY  54  16.810  13.940  14.160
  415    H    ILE  55           H        ILE  55  18.162  10.655  13.753
  416    HA   ILE  55           HA       ILE  55  15.495   9.650  12.963
  417    HB   ILE  55           HB       ILE  55  18.161   8.860  11.776
  418   HG12  ILE  55          HG12      ILE  55  15.705  10.393  10.777
  419   HG13  ILE  55          HG13      ILE  55  17.326  11.049  11.048
  420   HG21  ILE  55          HG21      ILE  55  15.348   7.779  11.242
  421   HG22  ILE  55          HG22      ILE  55  16.774   7.424  10.272
  422   HG23  ILE  55          HG23      ILE  55  16.724   6.855  11.915
  423   HD11  ILE  55          HD11      ILE  55  17.135  10.731   8.727
  424   HD12  ILE  55          HD12      ILE  55  18.167   9.394   9.324
  425   HD13  ILE  55          HD13      ILE  55  16.447   9.109   8.933
  426    H    ASP  56           H        ASP  56  15.153   7.346  13.475
  427    HA   ASP  56           HA       ASP  56  16.422   6.469  16.040
  428    HB2  ASP  56           HB2      ASP  56  14.349   7.299  16.750
  429    HB3  ASP  56           HB3      ASP  56  13.557   6.945  15.216
  430    H    ILE  57           H        ILE  57  17.032   4.297  15.983
  431    HA   ILE  57           HA       ILE  57  15.693   2.461  14.189
  432    HB   ILE  57           HB       ILE  57  17.804   1.535  13.343
  433   HG12  ILE  57          HG12      ILE  57  19.151   4.096  14.316
  434   HG13  ILE  57          HG13      ILE  57  19.426   2.481  14.976
  435   HG21  ILE  57          HG21      ILE  57  17.968   2.979  11.486
  436   HG22  ILE  57          HG22      ILE  57  16.346   3.183  12.083
  437   HG23  ILE  57          HG23      ILE  57  17.554   4.424  12.450
  438   HD11  ILE  57          HD11      ILE  57  21.202   3.136  13.463
  439   HD12  ILE  57          HD12      ILE  57  20.365   1.749  12.803
  440   HD13  ILE  57          HD13      ILE  57  20.069   3.364  12.121
  441    H    SER  58           H        SER  58  16.430   3.132  17.286
  442    HA   SER  58           HA       SER  58  17.529   0.672  18.190
  443    HB2  SER  58           HB2      SER  58  15.930   2.025  20.170
  444    HB3  SER  58           HB3      SER  58  17.694   1.862  20.029
  445    HG   SER  58           HG       SER  58  16.815   4.083  20.067
  446    H    GLY  59           H        GLY  59  16.460  -1.040  19.194
  447    HA2  GLY  59           HA2      GLY  59  14.880  -2.646  19.424
  448    HA3  GLY  59           HA3      GLY  59  13.706  -1.333  19.570
  449    H    GLN  60           H        GLN  60  15.080  -1.005  16.469
  450    HA   GLN  60           HA       GLN  60  12.697  -1.488  15.194
  451    HB2  GLN  60           HB2      GLN  60  15.549  -1.197  14.295
  452    HB3  GLN  60           HB3      GLN  60  14.482  -1.994  13.147
  453    HG2  GLN  60           HG2      GLN  60  12.865  -0.174  13.270
  454    HG3  GLN  60           HG3      GLN  60  13.889   0.674  14.451
  455   HE21  GLN  60          HE22      GLN  60  15.668  -0.915  11.836
  456   HE22  GLN  60          HE21      GLN  60  16.077   0.594  11.037
  457    H    THR  61           H        THR  61  15.479  -3.674  15.023
  458    HA   THR  61           HA       THR  61  13.718  -5.959  14.421
  459    HB   THR  61           HB       THR  61  15.481  -6.279  12.463
  460    HG1  THR  61           HG1      THR  61  16.015  -4.170  11.610
  461   HG21  THR  61          HG21      THR  61  13.060  -5.965  12.083
  462   HG22  THR  61          HG22      THR  61  13.219  -4.211  12.366
  463   HG23  THR  61          HG23      THR  61  13.987  -4.915  10.992
  464    H    SER  62           H        SER  62  14.919  -8.093  14.448
  465    HA   SER  62           HA       SER  62  17.361  -8.195  16.078
  466    HB2  SER  62           HB2      SER  62  14.573  -8.790  17.169
  467    HB3  SER  62           HB3      SER  62  16.018  -9.483  17.909
  468    HG   SER  62           HG       SER  62  15.964  -6.718  17.471
  469    H    ASP  63           H        ASP  63  16.240  -9.470  13.382
  470    HA   ASP  63           HA       ASP  63  16.684 -12.304  14.196
  471    HB2  ASP  63           HB2      ASP  63  14.200 -11.143  12.935
  472    HB3  ASP  63           HB3      ASP  63  14.678 -12.804  12.627
  473    HA   PRO  64           HA       PRO  64  18.725 -12.559  10.210
  474    HB2  PRO  64           HB2      PRO  64  18.786 -15.277   9.842
  475    HB3  PRO  64           HB3      PRO  64  19.767 -14.415  11.070
  476    HG2  PRO  64           HG2      PRO  64  17.152 -15.874  11.428
  477    HG3  PRO  64           HG3      PRO  64  18.625 -15.976  12.437
  478    HD2  PRO  64           HD2      PRO  64  16.506 -14.379  13.111
  479    HD3  PRO  64           HD3      PRO  64  18.196 -13.930  13.475
  480    H    ILE  65           H        ILE  65  18.413 -13.978   8.045
  481    HA   ILE  65           HA       ILE  65  15.992 -12.985   6.892
  482    HB   ILE  65           HB       ILE  65  18.278 -12.906   5.865
  483   HG12  ILE  65          HG12      ILE  65  16.175 -14.328   4.177
  484   HG13  ILE  65          HG13      ILE  65  16.455 -12.598   4.371
  485   HG21  ILE  65          HG21      ILE  65  19.420 -14.825   4.980
  486   HG22  ILE  65          HG22      ILE  65  19.006 -15.245   6.638
  487   HG23  ILE  65          HG23      ILE  65  18.037 -15.891   5.299
  488   HD11  ILE  65          HD11      ILE  65  17.291 -13.281   2.236
  489   HD12  ILE  65          HD12      ILE  65  18.715 -12.914   3.229
  490   HD13  ILE  65          HD13      ILE  65  18.252 -14.593   2.921
  491    H    GLU  66           H        GLU  66  17.037 -16.217   7.837
  492    HA   GLU  66           HA       GLU  66  15.367 -17.571   6.012
  493    HB2  GLU  66           HB2      GLU  66  16.821 -18.350   8.550
  494    HB3  GLU  66           HB3      GLU  66  15.844 -19.541   7.659
  495    HG2  GLU  66           HG2      GLU  66  17.193 -19.080   5.617
  496    HG3  GLU  66           HG3      GLU  66  18.212 -17.981   6.549
  497    H    ASN  67           H        ASN  67  14.594 -16.358   9.210
  498    HA   ASN  67           HA       ASN  67  12.047 -17.717   9.303
  499    HB2  ASN  67           HB2      ASN  67  11.594 -16.065  11.216
  500    HB3  ASN  67           HB3      ASN  67  12.871 -17.268  11.426
  501   HD21  ASN  67          HD22      ASN  67  12.491 -13.806  10.236
  502   HD22  ASN  67          HD21      ASN  67  14.162 -13.438  10.594
  503    H    PHE  68           H        PHE  68  13.115 -15.096   7.328
  504    HA   PHE  68           HA       PHE  68  10.409 -13.912   7.415
  505    HB2  PHE  68           HB2      PHE  68  13.023 -12.724   6.484
  506    HB3  PHE  68           HB3      PHE  68  11.459 -11.970   6.222
  507    HD1  PHE  68           HD1      PHE  68   9.912 -12.144   8.612
  508    HD2  PHE  68           HD2      PHE  68  14.185 -11.681   8.248
  509    HE1  PHE  68           HE1      PHE  68   9.989 -11.097  10.842
  510    HE2  PHE  68           HE2      PHE  68  14.250 -10.630  10.509
  511    HZ   PHE  68           HZ       PHE  68  12.145 -10.337  11.802
  512    H    ASN  69           H        ASN  69   9.653 -13.030   5.311
  513    HA   ASN  69           HA       ASN  69   9.970 -14.975   3.096
  514    HB2  ASN  69           HB2      ASN  69   7.402 -15.080   3.070
  515    HB3  ASN  69           HB3      ASN  69   8.297 -16.094   4.183
  516   HD21  ASN  69          HD22      ASN  69   6.939 -12.718   4.267
  517   HD22  ASN  69          HD21      ASN  69   6.175 -12.919   5.845
  518    H    ALA  70           H        ALA  70  10.911 -13.381   1.854
  519    HA   ALA  70           HA       ALA  70  10.108 -10.729   1.565
  520    HB1  ALA  70           HB1      ALA  70  11.321 -12.685  -0.423
  521    HB2  ALA  70           HB2      ALA  70  11.153 -10.936  -0.703
  522    HB3  ALA  70           HB3      ALA  70  12.154 -11.503   0.637
  523    H    ASP  71           H        ASP  71   8.622 -13.626   0.221
  524    HA   ASP  71           HA       ASP  71   7.069 -12.627  -1.893
  525    HB2  ASP  71           HB2      ASP  71   7.095 -15.014  -1.294
  526    HB3  ASP  71           HB3      ASP  71   6.293 -14.655   0.237
  527    H    ASP  72           H        ASP  72   6.638 -12.159   1.587
  528    HA   ASP  72           HA       ASP  72   3.914 -11.104   1.391
  529    HB2  ASP  72           HB2      ASP  72   4.766 -12.140   3.441
  530    HB3  ASP  72           HB3      ASP  72   5.993 -10.874   3.586
  531    H    TYR  73           H        TYR  73   7.009  -9.802   0.700
  532    HA   TYR  73           HA       TYR  73   6.280  -7.015   1.182
  533    HB2  TYR  73           HB2      TYR  73   9.028  -8.247   0.660
  534    HB3  TYR  73           HB3      TYR  73   8.713  -6.569   1.033
  535    HD1  TYR  73           HD1      TYR  73   8.140  -9.986   2.530
  536    HD2  TYR  73           HD2      TYR  73   9.258  -5.886   3.217
  537    HE1  TYR  73           HE1      TYR  73   8.435 -10.500   4.899
  538    HE2  TYR  73           HE2      TYR  73   9.526  -6.373   5.619
  539    HH   TYR  73           HH       TYR  73   8.870  -9.599   7.062
  540    H    ASP  74           H        ASP  74   7.421  -5.511  -0.607
  541    HA   ASP  74           HA       ASP  74   7.171  -6.846  -3.292
  542    HB2  ASP  74           HB2      ASP  74   6.612  -3.976  -2.440
  543    HB3  ASP  74           HB3      ASP  74   6.700  -4.514  -4.116
  544    H    VAL  75           H        VAL  75   9.477  -5.130  -1.196
  545    HA   VAL  75           HA       VAL  75  11.338  -5.148  -3.521
  546    HB   VAL  75           HB       VAL  75  10.637  -2.870  -1.811
  547   HG11  VAL  75          HG11      VAL  75  12.828  -2.476  -1.623
  548   HG12  VAL  75          HG12      VAL  75  13.279  -3.399  -3.026
  549   HG13  VAL  75          HG13      VAL  75  12.595  -1.759  -3.207
  550   HG21  VAL  75          HG21      VAL  75  10.510  -3.276  -4.757
  551   HG22  VAL  75          HG22      VAL  75   9.233  -2.818  -3.632
  552   HG23  VAL  75          HG23      VAL  75  10.513  -1.668  -4.013
  553    H    VAL  76           H        VAL  76  13.300  -6.000  -3.027
  554    HA   VAL  76           HA       VAL  76  13.992  -6.315  -0.151
  555    HB   VAL  76           HB       VAL  76  14.257  -8.159  -2.561
  556   HG11  VAL  76          HG11      VAL  76  15.966  -8.432  -0.050
  557   HG12  VAL  76          HG12      VAL  76  15.922  -9.512  -1.484
  558   HG13  VAL  76          HG13      VAL  76  16.583  -7.916  -1.624
  559   HG21  VAL  76          HG21      VAL  76  13.398  -9.830  -0.991
  560   HG22  VAL  76          HG22      VAL  76  13.502  -8.681   0.356
  561   HG23  VAL  76          HG23      VAL  76  12.340  -8.414  -0.946
  562    H    ILE  77           H        ILE  77  15.862  -5.514   0.375
  563    HA   ILE  77           HA       ILE  77  17.866  -4.820  -1.685
  564    HB   ILE  77           HB       ILE  77  16.956  -3.182   0.713
  565   HG12  ILE  77          HG12      ILE  77  15.360  -2.894  -1.100
  566   HG13  ILE  77          HG13      ILE  77  16.307  -1.459  -0.838
  567   HG21  ILE  77          HG21      ILE  77  18.597  -1.541  -0.030
  568   HG22  ILE  77          HG22      ILE  77  19.392  -3.057   0.393
  569   HG23  ILE  77          HG23      ILE  77  19.158  -2.645  -1.319
  570   HD11  ILE  77          HD11      ILE  77  15.810  -2.099  -3.278
  571   HD12  ILE  77          HD12      ILE  77  17.521  -1.765  -2.917
  572   HD13  ILE  77          HD13      ILE  77  16.986  -3.418  -3.098
  573    H    SER  78           H        SER  78  19.007  -6.680  -1.257
  574    HA   SER  78           HA       SER  78  19.555  -7.450   1.533
  575    HB2  SER  78           HB2      SER  78  19.254  -9.217   0.051
  576    HB3  SER  78           HB3      SER  78  20.349  -8.516  -1.176
  577    HG   SER  78           HG       SER  78  22.037  -9.127  -0.128
  578    H    LEU  79           H        LEU  79  21.921  -7.392   2.266
  579    HA   LEU  79           HA       LEU  79  23.627  -5.392   0.923
  580    HB2  LEU  79           HB2      LEU  79  23.084  -5.286   3.930
  581    HB3  LEU  79           HB3      LEU  79  24.317  -4.420   3.038
  582    HG   LEU  79           HG       LEU  79  22.466  -3.232   1.780
  583   HD11  LEU  79          HD11      LEU  79  20.803  -4.394   4.034
  584   HD12  LEU  79          HD12      LEU  79  20.359  -2.892   3.167
  585   HD13  LEU  79          HD13      LEU  79  20.457  -4.409   2.309
  586   HD21  LEU  79          HD21      LEU  79  23.884  -2.178   3.486
  587   HD22  LEU  79          HD22      LEU  79  22.232  -1.567   3.595
  588   HD23  LEU  79          HD23      LEU  79  22.801  -2.785   4.771
  589    H    CYS  80           H        CYS  80  23.577  -8.211   0.839
  590    HA   CYS  80           HA       CYS  80  25.372  -9.324   2.862
  591    HB2  CYS  80           HB2      CYS  80  24.036 -10.473   0.370
  592    HB3  CYS  80           HB3      CYS  80  25.127 -11.397   1.423
  593    HG   CYS  80           HG       CYS  80  22.133 -10.132   1.904
  594    H    GLY  81           H        GLY  81  25.891  -7.383   0.091
  595    HA2  GLY  81           HA2      GLY  81  28.103  -6.656  -0.396
  596    HA3  GLY  81           HA3      GLY  81  28.767  -8.195   0.154
  597    H    CYS  82           H        CYS  82  25.983  -7.701  -1.976
  598    HA   CYS  82           HA       CYS  82  25.362  -8.870  -3.810
  599    HB2  CYS  82           HB2      CYS  82  26.249  -7.766  -5.794
  600    HB3  CYS  82           HB3      CYS  82  25.921  -6.644  -4.456
  601    HG   CYS  82           HG       CYS  82  28.838  -7.947  -5.320
  602    H    GLY  83           H        GLY  83  26.658 -10.728  -2.397
  603    HA2  GLY  83           HA2      GLY  83  27.824 -12.482  -4.495
  604    HA3  GLY  83           HA3      GLY  83  28.670 -12.246  -2.958
  605    H    VAL  84           H        VAL  84  25.141 -12.390  -3.435
  606    HA   VAL  84           HA       VAL  84  24.919 -14.948  -2.025
  607    HB   VAL  84           HB       VAL  84  24.603 -13.022  -0.557
  608   HG11  VAL  84          HG11      VAL  84  22.510 -11.529  -0.937
  609   HG12  VAL  84          HG12      VAL  84  24.015 -11.181  -1.795
  610   HG13  VAL  84          HG13      VAL  84  22.711 -11.990  -2.639
  611   HG21  VAL  84          HG21      VAL  84  21.867 -14.335  -1.032
  612   HG22  VAL  84          HG22      VAL  84  23.188 -14.989  -0.042
  613   HG23  VAL  84          HG23      VAL  84  22.379 -13.491   0.429
  614    H    ASN  85           H        ASN  85  22.832 -16.028  -2.419
  615    HA   ASN  85           HA       ASN  85  21.433 -15.151  -4.875
  616    HB2  ASN  85           HB2      ASN  85  23.248 -17.008  -5.299
  617    HB3  ASN  85           HB3      ASN  85  22.148 -18.092  -4.444
  618   HD21  ASN  85          HD22      ASN  85  22.424 -15.773  -7.135
  619   HD22  ASN  85          HD21      ASN  85  21.165 -16.466  -8.140
  620    H    LEU  86           H        LEU  86  19.879 -14.349  -3.613
  621    HA   LEU  86           HA       LEU  86  18.915 -15.417  -1.228
  622    HB2  LEU  86           HB2      LEU  86  17.518 -13.572  -3.162
  623    HB3  LEU  86           HB3      LEU  86  17.096 -13.870  -1.480
  624    HG   LEU  86           HG       LEU  86  18.141 -11.803  -1.763
  625   HD11  LEU  86          HD11      LEU  86  19.942 -11.900  -0.024
  626   HD12  LEU  86          HD12      LEU  86  18.446 -12.751   0.394
  627   HD13  LEU  86          HD13      LEU  86  19.872 -13.670  -0.127
  628   HD21  LEU  86          HD21      LEU  86  19.620 -12.199  -3.673
  629   HD22  LEU  86          HD22      LEU  86  20.367 -11.299  -2.340
  630   HD23  LEU  86          HD23      LEU  86  20.767 -13.004  -2.563
  631    HA   PRO  87           HA       PRO  87  15.995 -18.545  -2.764
  632    HB2  PRO  87           HB2      PRO  87  13.893 -17.390  -0.977
  633    HB3  PRO  87           HB3      PRO  87  14.431 -19.080  -1.133
  634    HG2  PRO  87           HG2      PRO  87  15.227 -17.524   0.995
  635    HG3  PRO  87           HG3      PRO  87  16.332 -18.710   0.230
  636    HD2  PRO  87           HD2      PRO  87  16.263 -15.718  -0.123
  637    HD3  PRO  87           HD3      PRO  87  17.659 -16.826  -0.026
  638    HA   PRO  88           HA       PRO  88  13.922 -16.762  -5.997
  639    HB2  PRO  88           HB2      PRO  88  11.403 -18.365  -5.455
  640    HB3  PRO  88           HB3      PRO  88  12.254 -18.117  -7.017
  641    HG2  PRO  88           HG2      PRO  88  12.650 -20.390  -5.607
  642    HG3  PRO  88           HG3      PRO  88  14.045 -19.545  -6.356
  643    HD2  PRO  88           HD2      PRO  88  13.166 -19.515  -3.471
  644    HD3  PRO  88           HD3      PRO  88  14.811 -19.594  -4.166
  645    H    GLU  89           H        GLU  89  11.717 -16.682  -3.157
  646    HA   GLU  89           HA       GLU  89   9.899 -14.818  -4.278
  647    HB2  GLU  89           HB2      GLU  89   9.180 -14.545  -1.933
  648    HB3  GLU  89           HB3      GLU  89   9.194 -16.219  -2.509
  649    HG2  GLU  89           HG2      GLU  89  11.353 -16.584  -1.290
  650    HG3  GLU  89           HG3      GLU  89  11.249 -14.931  -0.680
  651    H    TRP  90           H        TRP  90  13.009 -14.457  -2.835
  652    HA   TRP  90           HA       TRP  90  12.758 -11.669  -2.140
  653    HB2  TRP  90           HB2      TRP  90  15.124 -13.525  -2.419
  654    HB3  TRP  90           HB3      TRP  90  15.256 -11.866  -1.881
  655    HD1  TRP  90           HD1      TRP  90  13.657 -15.207  -0.682
  656    HE1  TRP  90           HE1      TRP  90  13.412 -15.163   1.876
  657    HE3  TRP  90           HE3      TRP  90  15.419 -10.570   0.233
  658    HZ2  TRP  90           HZ2      TRP  90  13.549 -13.171   3.989
  659    HZ3  TRP  90           HZ3      TRP  90  15.214  -9.488   2.420
  660    HH2  TRP  90           HH2      TRP  90  14.269 -10.806   4.361
  661    H    VAL  91           H        VAL  91  13.155 -13.269  -5.185
  662    HA   VAL  91           HA       VAL  91  14.384 -10.825  -6.297
  663    HB   VAL  91           HB       VAL  91  15.212 -12.203  -8.130
  664   HG11  VAL  91          HG11      VAL  91  17.097 -13.153  -6.900
  665   HG12  VAL  91          HG12      VAL  91  16.633 -11.624  -6.149
  666   HG13  VAL  91          HG13      VAL  91  16.175 -13.157  -5.386
  667   HG21  VAL  91          HG21      VAL  91  13.649 -14.168  -7.908
  668   HG22  VAL  91          HG22      VAL  91  15.361 -14.596  -8.024
  669   HG23  VAL  91          HG23      VAL  91  14.559 -14.643  -6.449
  670    H    THR  92           H        THR  92  11.452 -12.754  -6.324
  671    HA   THR  92           HA       THR  92  10.539 -11.824  -8.902
  672    HB   THR  92           HB       THR  92   8.349 -12.767  -7.982
  673    HG1  THR  92           HG1      THR  92   8.383 -13.699  -6.005
  674   HG21  THR  92          HG21      THR  92   9.232 -15.113  -8.029
  675   HG22  THR  92          HG22      THR  92   9.914 -14.101  -9.327
  676   HG23  THR  92          HG23      THR  92  10.892 -14.468  -7.901
  677    H    GLN  93           H        GLN  93  10.781 -10.380  -5.850
  678    HA   GLN  93           HA       GLN  93   8.970  -8.458  -5.418
  679    HB2  GLN  93           HB2      GLN  93  12.013  -8.356  -5.532
  680    HB3  GLN  93           HB3      GLN  93  11.008  -7.255  -4.576
  681    HG2  GLN  93           HG2      GLN  93  11.312 -10.244  -4.094
  682    HG3  GLN  93           HG3      GLN  93  12.097  -8.956  -3.213
  683   HE21  GLN  93          HE22      GLN  93   9.382 -10.953  -3.344
  684   HE22  GLN  93          HE21      GLN  93   8.463 -10.117  -2.096
  685    H    GLU  94           H        GLU  94   8.905  -6.173  -5.974
  686    HA   GLU  94           HA       GLU  94   8.979  -5.506  -8.744
  687    HB2  GLU  94           HB2      GLU  94   7.290  -4.453  -7.511
  688    HB3  GLU  94           HB3      GLU  94   8.295  -4.270  -6.092
  689    HG2  GLU  94           HG2      GLU  94   7.814  -2.137  -6.939
  690    HG3  GLU  94           HG3      GLU  94   9.531  -2.492  -6.998
  691    H    ILE  95           H        ILE  95  11.061  -5.037  -5.885
  692    HA   ILE  95           HA       ILE  95  13.277  -4.276  -7.743
  693    HB   ILE  95           HB       ILE  95  12.714  -3.159  -5.019
  694   HG12  ILE  95          HG12      ILE  95  11.679  -1.868  -6.734
  695   HG13  ILE  95          HG13      ILE  95  12.967  -1.005  -5.848
  696   HG21  ILE  95          HG21      ILE  95  15.082  -3.640  -4.944
  697   HG22  ILE  95          HG22      ILE  95  15.325  -3.064  -6.607
  698   HG23  ILE  95          HG23      ILE  95  14.962  -1.920  -5.312
  699   HD11  ILE  95          HD11      ILE  95  12.894  -0.475  -8.291
  700   HD12  ILE  95          HD12      ILE  95  14.446  -1.166  -7.794
  701   HD13  ILE  95          HD13      ILE  95  13.253  -2.167  -8.664
  702    H    PHE  96           H        PHE  96  15.024  -5.521  -7.443
  703    HA   PHE  96           HA       PHE  96  15.502  -6.737  -4.831
  704    HB2  PHE  96           HB2      PHE  96  14.814  -8.758  -5.833
  705    HB3  PHE  96           HB3      PHE  96  15.616  -8.378  -7.381
  706    HD1  PHE  96           HD1      PHE  96  16.359  -8.602  -3.725
  707    HD2  PHE  96           HD2      PHE  96  17.883  -9.190  -7.695
  708    HE1  PHE  96           HE1      PHE  96  18.531  -9.186  -2.770
  709    HE2  PHE  96           HE2      PHE  96  20.083  -9.838  -6.742
  710    HZ   PHE  96           HZ       PHE  96  20.436  -9.801  -4.285
  711    H    GLU  97           H        GLU  97  17.399  -5.987  -4.237
  712    HA   GLU  97           HA       GLU  97  19.547  -5.627  -6.161
  713    HB2  GLU  97           HB2      GLU  97  18.007  -3.363  -5.326
  714    HB3  GLU  97           HB3      GLU  97  19.474  -3.308  -4.361
  715    HG2  GLU  97           HG2      GLU  97  19.393  -3.547  -7.406
  716    HG3  GLU  97           HG3      GLU  97  19.515  -2.031  -6.527
  717    H    ASP  98           H        ASP  98  21.522  -5.152  -4.857
  718    HA   ASP  98           HA       ASP  98  21.362  -6.033  -2.076
  719    HB2  ASP  98           HB2      ASP  98  22.123  -8.042  -3.231
  720    HB3  ASP  98           HB3      ASP  98  23.523  -7.157  -3.859
  721    H    TRP  99           H        TRP  99  21.889  -4.132  -1.162
  722    HA   TRP  99           HA       TRP  99  23.701  -2.173  -2.368
  723    HB2  TRP  99           HB2      TRP  99  21.874  -2.207   0.061
  724    HB3  TRP  99           HB3      TRP  99  23.003  -0.910  -0.223
  725    HD1  TRP  99           HD1      TRP  99  21.692  -2.053  -3.508
  726    HE1  TRP  99           HE1      TRP  99  19.708  -0.679  -4.313
  727    HE3  TRP  99           HE3      TRP  99  20.658   0.504   0.829
  728    HZ2  TRP  99           HZ2      TRP  99  17.687   0.946  -3.142
  729    HZ3  TRP  99           HZ3      TRP  99  18.505   1.788   0.978
  730    HH2  TRP  99           HH2      TRP  99  17.030   1.935  -0.964
  731    H    GLN 100           H        GLN 100  25.441  -3.575  -2.397
  732    HA   GLN 100           HA       GLN 100  26.849  -4.695  -0.296
  733    HB2  GLN 100           HB2      GLN 100  28.744  -4.688  -1.793
  734    HB3  GLN 100           HB3      GLN 100  27.267  -5.212  -2.597
  735    HG2  GLN 100           HG2      GLN 100  28.424  -2.395  -2.839
  736    HG3  GLN 100           HG3      GLN 100  28.856  -3.714  -3.915
  737   HE21  GLN 100          HE22      GLN 100  27.032  -4.808  -5.099
  738   HE22  GLN 100          HE21      GLN 100  25.623  -3.859  -5.539
  739    H    LEU 101           H        LEU 101  26.074  -1.860   0.514
  740    HA   LEU 101           HA       LEU 101  28.362  -0.197   0.072
  741    HB2  LEU 101           HB2      LEU 101  25.832   0.094   1.739
  742    HB3  LEU 101           HB3      LEU 101  27.167   1.205   2.006
  743    HG   LEU 101           HG       LEU 101  25.405   2.090   0.487
  744   HD11  LEU 101          HD11      LEU 101  26.967   3.111  -1.082
  745   HD12  LEU 101          HD12      LEU 101  27.766   2.939   0.492
  746   HD13  LEU 101          HD13      LEU 101  28.155   1.827  -0.835
  747   HD21  LEU 101          HD21      LEU 101  25.363   1.398  -1.855
  748   HD22  LEU 101          HD22      LEU 101  26.513   0.097  -1.556
  749   HD23  LEU 101          HD23      LEU 101  24.898   0.033  -0.814
  750    H    GLU 102           H        GLU 102  29.448   0.967   1.921
  751    HA   GLU 102           HA       GLU 102  31.229  -0.841   2.840
  752    HB2  GLU 102           HB2      GLU 102  30.740   2.056   3.248
  753    HB3  GLU 102           HB3      GLU 102  31.713   1.315   4.535
  754    HG2  GLU 102           HG2      GLU 102  32.256   0.766   1.619
  755    HG3  GLU 102           HG3      GLU 102  32.872   2.227   2.404
  756    H    ASP 103           H        ASP 103  32.041  -1.459   4.633
  757    HA   ASP 103           HA       ASP 103  30.199  -2.687   6.570
  758    HB2  ASP 103           HB2      ASP 103  31.862  -4.070   5.569
  759    HB3  ASP 103           HB3      ASP 103  33.147  -2.910   5.942
  760    HA   PRO 104           HA       PRO 104  31.532   0.685   9.352
  761    HB2  PRO 104           HB2      PRO 104  29.383   0.791  10.998
  762    HB3  PRO 104           HB3      PRO 104  29.268   1.358   9.305
  763    HG2  PRO 104           HG2      PRO 104  28.412  -1.329  10.444
  764    HG3  PRO 104           HG3      PRO 104  27.510  -0.253   9.323
  765    HD2  PRO 104           HD2      PRO 104  29.081  -2.424   8.510
  766    HD3  PRO 104           HD3      PRO 104  28.712  -0.992   7.491
  767    H    ASP 105           H        ASP 105  31.190  -2.687   9.815
  768    HA   ASP 105           HA       ASP 105  31.127  -4.062  11.704
  769    HB2  ASP 105           HB2      ASP 105  33.172  -4.247  10.395
  770    HB3  ASP 105           HB3      ASP 105  33.954  -3.010  11.356
  771    H    GLY 106           H        GLY 106  33.776  -2.553  13.148
  772    HA2  GLY 106           HA2      GLY 106  32.220  -1.133  15.269
  773    HA3  GLY 106           HA3      GLY 106  33.591  -2.200  15.684
  774    H    GLN 107           H        GLN 107  33.124  -0.023  12.905
  775    HA   GLN 107           HA       GLN 107  35.854   0.907  12.953
  776    HB2  GLN 107           HB2      GLN 107  33.409   1.660  11.252
  777    HB3  GLN 107           HB3      GLN 107  34.998   2.327  10.995
  778    HG2  GLN 107           HG2      GLN 107  35.544  -0.395  11.172
  779    HG3  GLN 107           HG3      GLN 107  34.036  -0.326  10.249
  780   HE21  GLN 107          HE22      GLN 107  34.315   0.009   8.022
  781   HE22  GLN 107          HE21      GLN 107  35.749   0.724   7.313
  782    H    SER 108           H        SER 108  35.947   3.322  12.235
  783    HA   SER 108           HA       SER 108  35.642   4.956  14.595
  784    HB2  SER 108           HB2      SER 108  36.385   6.752  12.896
  785    HB3  SER 108           HB3      SER 108  37.510   5.430  13.220
  786    HG   SER 108           HG       SER 108  37.353   5.759  10.991
  787    H    LEU 109           H        LEU 109  34.250   6.827  14.718
  788    HA   LEU 109           HA       LEU 109  31.560   6.443  13.908
  789    HB2  LEU 109           HB2      LEU 109  32.992   9.021  14.656
  790    HB3  LEU 109           HB3      LEU 109  31.253   8.837  14.489
  791    HG   LEU 109           HG       LEU 109  33.043   7.637  16.619
  792   HD11  LEU 109          HD11      LEU 109  31.591   8.884  18.150
  793   HD12  LEU 109          HD12      LEU 109  32.262   9.966  16.930
  794   HD13  LEU 109          HD13      LEU 109  30.576   9.437  16.799
  795   HD21  LEU 109          HD21      LEU 109  30.156   6.873  16.025
  796   HD22  LEU 109          HD22      LEU 109  31.566   5.813  16.127
  797   HD23  LEU 109          HD23      LEU 109  30.953   6.595  17.588
  798    H    GLU 110           H        GLU 110  34.276   7.946  12.230
  799    HA   GLU 110           HA       GLU 110  32.788   9.433  10.318
  800    HB2  GLU 110           HB2      GLU 110  35.538   8.130  10.205
  801    HB3  GLU 110           HB3      GLU 110  34.867   9.126   8.891
  802    HG2  GLU 110           HG2      GLU 110  34.491  10.971  10.468
  803    HG3  GLU 110           HG3      GLU 110  35.233  10.019  11.767
  804    H    VAL 111           H        VAL 111  33.820   5.919  10.298
  805    HA   VAL 111           HA       VAL 111  32.716   5.703   7.647
  806    HB   VAL 111           HB       VAL 111  33.447   3.507   9.638
  807   HG11  VAL 111          HG11      VAL 111  32.783   3.425   6.641
  808   HG12  VAL 111          HG12      VAL 111  33.474   2.071   7.538
  809   HG13  VAL 111          HG13      VAL 111  31.871   2.642   7.953
  810   HG21  VAL 111          HG21      VAL 111  35.489   3.280   8.207
  811   HG22  VAL 111          HG22      VAL 111  34.974   4.696   7.265
  812   HG23  VAL 111          HG23      VAL 111  35.412   4.860   8.976
  813    H    PHE 112           H        PHE 112  31.451   4.981  10.952
  814    HA   PHE 112           HA       PHE 112  28.883   4.107  10.151
  815    HB2  PHE 112           HB2      PHE 112  29.771   5.785  12.507
  816    HB3  PHE 112           HB3      PHE 112  28.090   5.491  12.149
  817    HD1  PHE 112           HD1      PHE 112  31.293   3.578  12.739
  818    HD2  PHE 112           HD2      PHE 112  26.984   3.632  12.970
  819    HE1  PHE 112           HE1      PHE 112  31.329   1.451  13.998
  820    HE2  PHE 112           HE2      PHE 112  27.037   1.557  14.300
  821    HZ   PHE 112           HZ       PHE 112  29.213   0.428  14.791
  822    H    ARG 113           H        ARG 113  29.939   7.559  10.536
  823    HA   ARG 113           HA       ARG 113  27.517   8.747   9.628
  824    HB2  ARG 113           HB2      ARG 113  30.404   9.739   9.334
  825    HB3  ARG 113           HB3      ARG 113  28.983  10.691   8.946
  826    HG2  ARG 113           HG2      ARG 113  28.212  10.480  11.334
  827    HG3  ARG 113           HG3      ARG 113  29.713   9.651  11.724
  828    HD2  ARG 113           HD2      ARG 113  31.030  11.573  11.037
  829    HD3  ARG 113           HD3      ARG 113  29.564  12.444  10.538
  830    HE   ARG 113           HE       ARG 113  28.845  12.056  13.019
  831   HH11  ARG 113          HH21      ARG 113  32.091  13.049  11.881
  832   HH12  ARG 113          HH22      ARG 113  32.526  13.792  13.381
  833   HH21  ARG 113          HH11      ARG 113  29.418  13.030  14.946
  834   HH22  ARG 113          HH12      ARG 113  30.966  13.808  15.172
  835    H    THR 114           H        THR 114  30.425   7.753   7.780
  836    HA   THR 114           HA       THR 114  29.491   8.847   5.349
  837    HB   THR 114           HB       THR 114  31.459   6.561   5.869
  838    HG1  THR 114           HG1      THR 114  32.178   8.416   6.828
  839   HG21  THR 114          HG21      THR 114  30.829   6.498   3.529
  840   HG22  THR 114          HG22      THR 114  31.039   8.253   3.367
  841   HG23  THR 114          HG23      THR 114  32.445   7.194   3.657
  842    H    VAL 115           H        VAL 115  29.166   5.564   6.803
  843    HA   VAL 115           HA       VAL 115  28.137   4.384   4.387
  844    HB   VAL 115           HB       VAL 115  28.108   3.577   7.349
  845   HG11  VAL 115          HG11      VAL 115  27.412   1.295   6.636
  846   HG12  VAL 115          HG12      VAL 115  26.115   2.478   6.421
  847   HG13  VAL 115          HG13      VAL 115  27.055   1.921   5.012
  848   HG21  VAL 115          HG21      VAL 115  29.457   2.304   4.961
  849   HG22  VAL 115          HG22      VAL 115  30.275   3.487   5.994
  850   HG23  VAL 115          HG23      VAL 115  29.756   1.924   6.665
  851    H    ARG 116           H        ARG 116  26.623   5.535   7.400
  852    HA   ARG 116           HA       ARG 116  23.920   5.490   6.838
  853    HB2  ARG 116           HB2      ARG 116  24.896   6.183   8.918
  854    HB3  ARG 116           HB3      ARG 116  25.780   7.488   8.146
  855    HG2  ARG 116           HG2      ARG 116  23.515   8.619   7.711
  856    HG3  ARG 116           HG3      ARG 116  22.859   7.398   8.830
  857    HD2  ARG 116           HD2      ARG 116  23.410   8.930  10.369
  858    HD3  ARG 116           HD3      ARG 116  25.005   8.104  10.245
  859    HE   ARG 116           HE       ARG 116  24.889  10.229   8.334
  860   HH11  ARG 116          HH21      ARG 116  24.924   9.969  11.882
  861   HH12  ARG 116          HH22      ARG 116  26.091  11.225  12.112
  862   HH21  ARG 116          HH11      ARG 116  26.171  12.133   8.662
  863   HH22  ARG 116          HH12      ARG 116  26.593  12.615  10.267
  864    H    GLY 117           H        GLY 117  26.166   8.194   5.742
  865    HA2  GLY 117           HA2      GLY 117  24.038   9.504   4.391
  866    HA3  GLY 117           HA3      GLY 117  25.776   9.762   4.085
  867    H    GLN 118           H        GLN 118  26.438   7.122   3.120
  868    HA   GLN 118           HA       GLN 118  25.541   7.309   0.414
  869    HB2  GLN 118           HB2      GLN 118  26.858   4.999   1.918
  870    HB3  GLN 118           HB3      GLN 118  26.744   5.153   0.150
  871    HG2  GLN 118           HG2      GLN 118  28.047   7.222   0.191
  872    HG3  GLN 118           HG3      GLN 118  28.136   7.183   1.938
  873   HE21  GLN 118          HE22      GLN 118  30.347   7.054  -0.174
  874   HE22  GLN 118          HE21      GLN 118  31.281   5.657   0.302
  875    H    VAL 119           H        VAL 119  24.471   5.376   3.176
  876    HA   VAL 119           HA       VAL 119  22.538   3.794   1.746
  877    HB   VAL 119           HB       VAL 119  22.828   4.585   4.677
  878   HG11  VAL 119          HG11      VAL 119  20.456   4.208   4.340
  879   HG12  VAL 119          HG12      VAL 119  20.793   2.719   3.419
  880   HG13  VAL 119          HG13      VAL 119  21.171   2.813   5.164
  881   HG21  VAL 119          HG21      VAL 119  23.120   1.869   3.282
  882   HG22  VAL 119          HG22      VAL 119  24.494   2.915   3.651
  883   HG23  VAL 119          HG23      VAL 119  23.510   2.255   4.972
  884    H    LYS 120           H        LYS 120  22.363   7.036   3.428
  885    HA   LYS 120           HA       LYS 120  19.604   7.271   3.162
  886    HB2  LYS 120           HB2      LYS 120  19.791   9.367   3.971
  887    HB3  LYS 120           HB3      LYS 120  21.346   8.709   4.420
  888    HG2  LYS 120           HG2      LYS 120  22.334  10.471   3.559
  889    HG3  LYS 120           HG3      LYS 120  21.888   9.997   1.961
  890    HD2  LYS 120           HD2      LYS 120  20.215  11.734   3.826
  891    HD3  LYS 120           HD3      LYS 120  21.245  12.320   2.510
  892    HE2  LYS 120           HE2      LYS 120  19.849  11.068   0.857
  893    HE3  LYS 120           HE3      LYS 120  18.775  10.536   2.165
  894    HZ1  LYS 120           HZ1      LYS 120  17.887  12.468   1.028
  895    HZ2  LYS 120           HZ2      LYS 120  18.250  12.901   2.570
  896    HZ3  LYS 120           HZ3      LYS 120  19.225  13.363   1.336
  897    H    GLU 121           H        GLU 121  22.117   8.062   0.791
  898    HA   GLU 121           HA       GLU 121  20.386   9.253  -1.140
  899    HB2  GLU 121           HB2      GLU 121  22.688   9.873  -1.098
  900    HB3  GLU 121           HB3      GLU 121  23.227   8.254  -0.740
  901    HG2  GLU 121           HG2      GLU 121  24.032   8.759  -2.811
  902    HG3  GLU 121           HG3      GLU 121  22.815   7.505  -2.972
  903    H    ARG 122           H        ARG 122  21.754   5.875  -0.691
  904    HA   ARG 122           HA       ARG 122  20.418   4.942  -3.083
  905    HB2  ARG 122           HB2      ARG 122  21.549   3.469  -0.661
  906    HB3  ARG 122           HB3      ARG 122  20.653   2.670  -1.949
  907    HG2  ARG 122           HG2      ARG 122  22.393   4.053  -3.512
  908    HG3  ARG 122           HG3      ARG 122  23.400   3.881  -2.065
  909    HD2  ARG 122           HD2      ARG 122  23.093   1.433  -2.143
  910    HD3  ARG 122           HD3      ARG 122  21.892   1.624  -3.432
  911    HE   ARG 122           HE       ARG 122  24.580   2.665  -4.042
  912   HH11  ARG 122          HH11      ARG 122  22.262   0.035  -4.396
  913   HH12  ARG 122          HH12      ARG 122  23.016  -0.751  -5.719
  914   HH21  ARG 122          HH21      ARG 122  25.690   1.671  -5.840
  915   HH22  ARG 122          HH22      ARG 122  25.056   0.230  -6.558
  916    H    VAL 123           H        VAL 123  19.373   4.924   0.374
  917    HA   VAL 123           HA       VAL 123  16.890   3.714  -0.002
  918    HB   VAL 123           HB       VAL 123  17.905   5.916   1.850
  919   HG11  VAL 123          HG11      VAL 123  15.959   5.279   3.290
  920   HG12  VAL 123          HG12      VAL 123  15.580   6.236   1.871
  921   HG13  VAL 123          HG13      VAL 123  15.260   4.478   1.858
  922   HG21  VAL 123          HG21      VAL 123  18.887   3.582   2.132
  923   HG22  VAL 123          HG22      VAL 123  18.019   4.190   3.533
  924   HG23  VAL 123          HG23      VAL 123  17.237   3.004   2.479
  925    H    GLU 124           H        GLU 124  17.766   7.181  -0.337
  926    HA   GLU 124           HA       GLU 124  15.146   7.894  -1.060
  927    HB2  GLU 124           HB2      GLU 124  16.836   9.307  -0.112
  928    HB3  GLU 124           HB3      GLU 124  17.798   9.256  -1.612
  929    HG2  GLU 124           HG2      GLU 124  15.911  10.266  -2.823
  930    HG3  GLU 124           HG3      GLU 124  14.966  10.297  -1.308
  931    H    ASN 125           H        ASN 125  17.862   6.816  -3.087
  932    HA   ASN 125           HA       ASN 125  16.670   7.357  -5.609
  933    HB2  ASN 125           HB2      ASN 125  18.732   5.355  -4.671
  934    HB3  ASN 125           HB3      ASN 125  18.032   5.180  -6.263
  935   HD21  ASN 125          HD22      ASN 125  19.736   7.616  -4.237
  936   HD22  ASN 125          HD21      ASN 125  20.632   8.314  -5.562
  937    H    LEU 126           H        LEU 126  16.526   4.458  -3.494
  938    HA   LEU 126           HA       LEU 126  14.828   2.916  -5.218
  939    HB2  LEU 126           HB2      LEU 126  15.777   1.591  -3.759
  940    HB3  LEU 126           HB3      LEU 126  15.900   2.822  -2.493
  941    HG   LEU 126           HG       LEU 126  13.167   1.783  -2.835
  942   HD11  LEU 126          HD11      LEU 126  13.739  -0.396  -1.670
  943   HD12  LEU 126          HD12      LEU 126  14.267  -0.277  -3.379
  944   HD13  LEU 126          HD13      LEU 126  15.427  -0.034  -2.059
  945   HD21  LEU 126          HD21      LEU 126  13.143   1.748  -0.459
  946   HD22  LEU 126          HD22      LEU 126  14.900   1.579  -0.339
  947   HD23  LEU 126          HD23      LEU 126  14.201   3.132  -0.824
  948    H    ILE 127           H        ILE 127  14.156   5.169  -2.588
  949    HA   ILE 127           HA       ILE 127  11.327   4.898  -2.480
  950    HB   ILE 127           HB       ILE 127  13.381   6.915  -1.696
  951   HG12  ILE 127          HG12      ILE 127  11.213   5.441  -0.108
  952   HG13  ILE 127          HG13      ILE 127  12.677   4.613  -0.609
  953   HG21  ILE 127          HG21      ILE 127  10.431   7.425  -1.339
  954   HG22  ILE 127          HG22      ILE 127  11.758   8.298  -0.540
  955   HG23  ILE 127          HG23      ILE 127  11.577   8.400  -2.292
  956   HD11  ILE 127          HD11      ILE 127  13.969   6.600   0.439
  957   HD12  ILE 127          HD12      ILE 127  12.418   6.905   1.260
  958   HD13  ILE 127          HD13      ILE 127  13.236   5.331   1.464
  959    H    ALA 128           H        ALA 128  13.426   7.056  -4.501
  960    HA   ALA 128           HA       ALA 128  11.311   8.464  -5.690
  961    HB1  ALA 128           HB1      ALA 128  13.712   9.133  -5.778
  962    HB2  ALA 128           HB2      ALA 128  14.020   7.788  -6.912
  963    HB3  ALA 128           HB3      ALA 128  12.950   9.118  -7.387
  964    H    LYS 129           H        LYS 129  12.511   5.197  -6.433
  965    HA   LYS 129           HA       LYS 129  11.027   5.000  -8.882
  966    HB2  LYS 129           HB2      LYS 129  12.143   2.801  -7.100
  967    HB3  LYS 129           HB3      LYS 129  11.560   2.597  -8.748
  968    HG2  LYS 129           HG2      LYS 129  13.365   3.955  -9.629
  969    HG3  LYS 129           HG3      LYS 129  13.903   4.379  -7.983
  970    HD2  LYS 129           HD2      LYS 129  14.227   2.005  -7.456
  971    HD3  LYS 129           HD3      LYS 129  13.895   1.571  -9.152
  972    HE2  LYS 129           HE2      LYS 129  16.049   3.495  -8.197
  973    HE3  LYS 129           HE3      LYS 129  16.340   1.770  -8.479
  974    HZ1  LYS 129           HZ1      LYS 129  15.529   3.717 -10.585
  975    HZ2  LYS 129           HZ2      LYS 129  17.011   3.054 -10.406
  976    HZ3  LYS 129           HZ3      LYS 129  15.751   2.106 -10.823
  977    H    ILE 130           H        ILE 130  10.415   4.008  -5.464
  978    HA   ILE 130           HA       ILE 130   7.960   2.738  -6.314
  979    HB   ILE 130           HB       ILE 130   7.866   2.042  -3.905
  980   HG12  ILE 130          HG12      ILE 130  10.558   3.259  -3.707
  981   HG13  ILE 130          HG13      ILE 130   9.179   3.433  -2.652
  982   HG21  ILE 130          HG21      ILE 130   8.553   0.688  -5.893
  983   HG22  ILE 130          HG22      ILE 130  10.253   1.050  -5.487
  984   HG23  ILE 130          HG23      ILE 130   9.193   0.134  -4.370
  985   HD11  ILE 130          HD11      ILE 130  10.809   2.035  -1.546
  986   HD12  ILE 130          HD12      ILE 130   9.497   0.939  -2.044
  987   HD13  ILE 130          HD13      ILE 130  11.004   1.005  -2.968
  988    H    SER 131           H        SER 131   8.648   5.658  -4.350
  989    HA   SER 131           HA       SER 131   5.979   5.821  -3.385
  990    HB2  SER 131           HB2      SER 131   7.986   8.055  -3.812
  991    HB3  SER 131           HB3      SER 131   6.514   8.116  -2.818
  992    HG   SER 131           HG       SER 131   8.333   7.635  -1.512
  Start of MODEL   18
    1    H    MET   1           H        MET   1   1.297  -1.762   2.315
    2    HA   MET   1           HA       MET   1   0.969  -0.685  -0.408
    3    HB2  MET   1           HB2      MET   1   1.218   0.864   1.758
    4    HB3  MET   1           HB3      MET   1   2.918   0.451   1.625
    5    HG2  MET   1           HG2      MET   1   2.368   2.573   0.538
    6    HG3  MET   1           HG3      MET   1   2.961   1.420  -0.649
    7    HE1  MET   1           HE1      MET   1   2.082   3.063  -2.586
    8    HE2  MET   1           HE2      MET   1   0.409   3.660  -2.665
    9    HE3  MET   1           HE3      MET   1   1.468   4.184  -1.339
   10    H    LYS   2           H        LYS   2   3.478  -0.407  -1.415
   11    HA   LYS   2           HA       LYS   2   4.309  -3.114  -1.786
   12    HB2  LYS   2           HB2      LYS   2   6.102  -0.695  -2.369
   13    HB3  LYS   2           HB3      LYS   2   6.195  -2.302  -3.048
   14    HG2  LYS   2           HG2      LYS   2   5.170  -1.282  -4.786
   15    HG3  LYS   2           HG3      LYS   2   3.764  -1.835  -3.888
   16    HD2  LYS   2           HD2      LYS   2   3.116   0.383  -4.259
   17    HD3  LYS   2           HD3      LYS   2   3.966   0.599  -2.738
   18    HE2  LYS   2           HE2      LYS   2   4.940   2.312  -3.839
   19    HE3  LYS   2           HE3      LYS   2   6.087   1.047  -4.307
   20    HZ1  LYS   2           HZ1      LYS   2   5.340   2.330  -6.242
   21    HZ2  LYS   2           HZ2      LYS   2   4.806   0.785  -6.409
   22    HZ3  LYS   2           HZ3      LYS   2   3.771   1.973  -5.953
   23    H    LYS   3           H        LYS   3   5.595  -4.414  -0.471
   24    HA   LYS   3           HA       LYS   3   6.596  -3.047   1.967
   25    HB2  LYS   3           HB2      LYS   3   6.415  -6.015   1.546
   26    HB3  LYS   3           HB3      LYS   3   6.569  -5.109   3.051
   27    HG2  LYS   3           HG2      LYS   3   4.258  -4.193   2.646
   28    HG3  LYS   3           HG3      LYS   3   4.167  -5.205   1.188
   29    HD2  LYS   3           HD2      LYS   3   2.949  -6.180   3.099
   30    HD3  LYS   3           HD3      LYS   3   4.216  -7.222   2.448
   31    HE2  LYS   3           HE2      LYS   3   5.716  -6.671   4.288
   32    HE3  LYS   3           HE3      LYS   3   4.544  -5.500   4.943
   33    HZ1  LYS   3           HZ1      LYS   3   4.474  -7.655   6.094
   34    HZ2  LYS   3           HZ2      LYS   3   3.038  -7.359   5.366
   35    HZ3  LYS   3           HZ3      LYS   3   4.093  -8.433   4.701
   36    H    VAL   4           H        VAL   4   8.652  -2.919   2.506
   37    HA   VAL   4           HA       VAL   4  10.599  -4.084   0.625
   38    HB   VAL   4           HB       VAL   4  10.956  -1.505   2.136
   39   HG11  VAL   4          HG11      VAL   4  13.082  -2.422   1.506
   40   HG12  VAL   4          HG12      VAL   4  12.509  -2.828  -0.102
   41   HG13  VAL   4          HG13      VAL   4  12.726  -1.122   0.375
   42   HG21  VAL   4          HG21      VAL   4   9.937  -1.951  -0.712
   43   HG22  VAL   4          HG22      VAL   4   9.133  -1.070   0.593
   44   HG23  VAL   4          HG23      VAL   4  10.593  -0.401  -0.158
   45    H    MET   5           H        MET   5  12.691  -4.664   1.571
   46    HA   MET   5           HA       MET   5  12.683  -5.051   4.518
   47    HB2  MET   5           HB2      MET   5  11.797  -7.096   3.410
   48    HB3  MET   5           HB3      MET   5  13.249  -7.127   2.388
   49    HG2  MET   5           HG2      MET   5  13.454  -8.734   4.220
   50    HG3  MET   5           HG3      MET   5  14.684  -7.490   4.298
   51    HE1  MET   5           HE1      MET   5  11.217  -8.259   7.183
   52    HE2  MET   5           HE2      MET   5  10.905  -7.861   5.476
   53    HE3  MET   5           HE3      MET   5  11.846  -9.311   5.895
   54    H    PHE   6           H        PHE   6  14.752  -4.953   5.356
   55    HA   PHE   6           HA       PHE   6  17.039  -4.580   3.490
   56    HB2  PHE   6           HB2      PHE   6  16.386  -3.005   5.992
   57    HB3  PHE   6           HB3      PHE   6  17.907  -2.910   5.095
   58    HD1  PHE   6           HD2      PHE   6  17.962  -1.947   2.776
   59    HD2  PHE   6           HD1      PHE   6  14.345  -2.032   5.109
   60    HE1  PHE   6           HE2      PHE   6  16.840  -0.484   1.132
   61    HE2  PHE   6           HE1      PHE   6  13.218  -0.674   3.407
   62    HZ   PHE   6           HZ       PHE   6  14.485   0.212   1.452
   63    H    VAL   7           H        VAL   7  18.568  -6.237   3.979
   64    HA   VAL   7           HA       VAL   7  18.280  -7.633   6.619
   65    HB   VAL   7           HB       VAL   7  19.357  -8.844   4.056
   66   HG11  VAL   7          HG11      VAL   7  18.730 -10.940   5.133
   67   HG12  VAL   7          HG12      VAL   7  19.882 -10.047   6.116
   68   HG13  VAL   7          HG13      VAL   7  18.161 -10.068   6.566
   69   HG21  VAL   7          HG21      VAL   7  17.118  -8.137   3.428
   70   HG22  VAL   7          HG22      VAL   7  17.172  -9.883   3.683
   71   HG23  VAL   7          HG23      VAL   7  16.449  -8.835   4.917
   72    H    CYS   8           H        CYS   8  20.023  -7.204   7.985
   73    HA   CYS   8           HA       CYS   8  22.558  -6.361   6.748
   74    HB2  CYS   8           HB2      CYS   8  21.409  -5.961   9.389
   75    HB3  CYS   8           HB3      CYS   8  22.938  -6.792   9.563
   76    HG   CYS   8           HG       CYS   8  23.910  -4.576   9.734
   77    H    LYS   9           H        LYS   9  24.512  -7.090   7.579
   78    HA   LYS   9           HA       LYS   9  25.063  -9.655   8.711
   79    HB2  LYS   9           HB2      LYS   9  24.962 -10.244   6.246
   80    HB3  LYS   9           HB3      LYS   9  26.165  -8.978   5.924
   81    HG2  LYS   9           HG2      LYS   9  27.809 -10.161   7.356
   82    HG3  LYS   9           HG3      LYS   9  26.588 -11.377   7.767
   83    HD2  LYS   9           HD2      LYS   9  26.490 -12.092   5.396
   84    HD3  LYS   9           HD3      LYS   9  27.707 -10.859   4.972
   85    HE2  LYS   9           HE2      LYS   9  29.326 -11.932   6.533
   86    HE3  LYS   9           HE3      LYS   9  28.122 -13.152   6.960
   87    HZ1  LYS   9           HZ1      LYS   9  29.679 -13.968   5.304
   88    HZ2  LYS   9           HZ2      LYS   9  28.184 -13.943   4.662
   89    HZ3  LYS   9           HZ3      LYS   9  29.282 -12.793   4.245
   90    H    ARG  10           H        ARG  10  27.003  -9.142   9.933
   91    HA   ARG  10           HA       ARG  10  28.422  -7.733  11.053
   92    HB2  ARG  10           HB2      ARG  10  28.720  -6.331   8.336
   93    HB3  ARG  10           HB3      ARG  10  29.517  -5.753   9.755
   94    HG2  ARG  10           HG2      ARG  10  29.877  -8.661   9.018
   95    HG3  ARG  10           HG3      ARG  10  30.715  -7.417   8.084
   96    HD2  ARG  10           HD2      ARG  10  31.815  -6.531  10.033
   97    HD3  ARG  10           HD3      ARG  10  30.855  -7.530  11.119
   98    HE   ARG  10           HE       ARG  10  32.051  -9.451  10.551
   99   HH11  ARG  10          HH21      ARG  10  33.343  -6.635   8.746
  100   HH12  ARG  10          HH22      ARG  10  34.854  -7.398   8.421
  101   HH21  ARG  10          HH12      ARG  10  34.044 -10.460  10.042
  102   HH22  ARG  10          HH11      ARG  10  35.248  -9.624   9.134
  103    H    ASN  11           H        ASN  11  28.632  -5.207  11.510
  104    HA   ASN  11           HA       ASN  11  26.721  -4.813  13.320
  105    HB2  ASN  11           HB2      ASN  11  28.805  -3.549  13.100
  106    HB3  ASN  11           HB3      ASN  11  28.100  -2.554  11.821
  107   HD21  ASN  11          HD22      ASN  11  28.887  -2.493  15.024
  108   HD22  ASN  11          HD21      ASN  11  27.714  -1.341  15.590
  109    H    SER  12           H        SER  12  24.647  -4.539  13.411
  110    HA   SER  12           HA       SER  12  22.781  -4.511  11.530
  111    HB2  SER  12           HB2      SER  12  22.717  -3.093  14.217
  112    HB3  SER  12           HB3      SER  12  21.329  -3.756  13.347
  113    HG   SER  12           HG       SER  12  22.504  -5.140  15.055
  114    H    CYS  13           H        CYS  13  24.493  -1.585  12.528
  115    HA   CYS  13           HA       CYS  13  22.912   0.515  12.022
  116    HB2  CYS  13           HB2      CYS  13  25.319   0.645  12.624
  117    HB3  CYS  13           HB3      CYS  13  25.778   0.121  11.001
  118    HG   CYS  13           HG       CYS  13  26.312   2.569  10.960
  119    H    ARG  14           H        ARG  14  24.574  -1.260   9.315
  120    HA   ARG  14           HA       ARG  14  23.628   0.755   7.488
  121    HB2  ARG  14           HB2      ARG  14  24.552  -0.619   5.656
  122    HB3  ARG  14           HB3      ARG  14  25.669  -0.194   6.938
  123    HG2  ARG  14           HG2      ARG  14  25.492  -2.492   7.886
  124    HG3  ARG  14           HG3      ARG  14  24.406  -2.931   6.557
  125    HD2  ARG  14           HD2      ARG  14  26.210  -2.426   4.931
  126    HD3  ARG  14           HD3      ARG  14  27.324  -2.029   6.261
  127    HE   ARG  14           HE       ARG  14  26.388  -4.557   6.903
  128   HH11  ARG  14          HH11      ARG  14  28.154  -3.175   4.130
  129   HH12  ARG  14          HH12      ARG  14  28.964  -4.638   3.755
  130   HH21  ARG  14          HH21      ARG  14  27.355  -6.522   6.298
  131   HH22  ARG  14          HH22      ARG  14  28.458  -6.613   4.957
  132    H    SER  15           H        SER  15  22.159  -2.531   8.143
  133    HA   SER  15           HA       SER  15  20.257  -2.018   5.979
  134    HB2  SER  15           HB2      SER  15  19.208  -4.069   6.763
  135    HB3  SER  15           HB3      SER  15  20.972  -4.289   6.692
  136    HG   SER  15           HG       SER  15  19.561  -4.804   8.795
  137    H    GLN  16           H        GLN  16  20.272  -1.880   9.550
  138    HA   GLN  16           HA       GLN  16  17.510  -1.307   9.746
  139    HB2  GLN  16           HB2      GLN  16  17.852  -1.417  11.978
  140    HB3  GLN  16           HB3      GLN  16  19.291  -2.234  11.439
  141    HG2  GLN  16           HG2      GLN  16  20.641  -0.182  11.736
  142    HG3  GLN  16           HG3      GLN  16  19.197   0.715  12.185
  143   HE21  GLN  16          HE22      GLN  16  17.973  -0.032  14.096
  144   HE22  GLN  16          HE21      GLN  16  18.911  -0.535  15.476
  145    H    MET  17           H        MET  17  20.335   0.878   9.473
  146    HA   MET  17           HA       MET  17  18.909   3.331   9.682
  147    HB2  MET  17           HB2      MET  17  21.392   3.203   9.715
  148    HB3  MET  17           HB3      MET  17  21.347   2.596   8.020
  149    HG2  MET  17           HG2      MET  17  21.932   4.912   8.009
  150    HG3  MET  17           HG3      MET  17  20.371   4.732   7.248
  151    HE1  MET  17           HE1      MET  17  18.026   5.114   9.642
  152    HE2  MET  17           HE2      MET  17  18.148   6.873   9.938
  153    HE3  MET  17           HE3      MET  17  18.100   6.256   8.266
  154    H    ALA  18           H        ALA  18  19.595   1.121   6.937
  155    HA   ALA  18           HA       ALA  18  18.613   2.849   4.960
  156    HB1  ALA  18           HB1      ALA  18  18.506  -0.205   4.947
  157    HB2  ALA  18           HB2      ALA  18  18.584   0.872   3.541
  158    HB3  ALA  18           HB3      ALA  18  19.976   0.751   4.656
  159    H    GLU  19           H        GLU  19  16.873   0.455   7.017
  160    HA   GLU  19           HA       GLU  19  14.299   0.987   5.930
  161    HB2  GLU  19           HB2      GLU  19  14.851  -0.858   7.500
  162    HB3  GLU  19           HB3      GLU  19  15.003   0.325   8.800
  163    HG2  GLU  19           HG2      GLU  19  12.493   0.953   7.930
  164    HG3  GLU  19           HG3      GLU  19  12.558  -0.727   7.437
  165    H    GLY  20           H        GLY  20  16.206   2.855   8.481
  166    HA2  GLY  20           HA2      GLY  20  13.939   4.375   9.327
  167    HA3  GLY  20           HA3      GLY  20  15.645   4.781   9.558
  168    H    PHE  21           H        PHE  21  16.557   5.010   6.928
  169    HA   PHE  21           HA       PHE  21  15.413   7.550   6.034
  170    HB2  PHE  21           HB2      PHE  21  17.382   5.616   4.772
  171    HB3  PHE  21           HB3      PHE  21  16.913   7.151   4.051
  172    HD1  PHE  21           HD2      PHE  21  16.922   9.033   6.397
  173    HD2  PHE  21           HD1      PHE  21  19.688   5.901   5.269
  174    HE1  PHE  21           HE2      PHE  21  18.735  10.196   7.569
  175    HE2  PHE  21           HE1      PHE  21  21.482   7.091   6.388
  176    HZ   PHE  21           HZ       PHE  21  21.009   9.252   7.611
  177    H    ALA  22           H        ALA  22  15.034   4.104   4.917
  178    HA   ALA  22           HA       ALA  22  13.523   4.915   2.645
  179    HB1  ALA  22           HB1      ALA  22  13.589   2.271   4.131
  180    HB2  ALA  22           HB2      ALA  22  12.851   2.514   2.532
  181    HB3  ALA  22           HB3      ALA  22  14.598   2.721   2.752
  182    H    LYS  23           H        LYS  23  12.392   4.179   6.004
  183    HA   LYS  23           HA       LYS  23   9.662   4.583   5.136
  184    HB2  LYS  23           HB2      LYS  23   8.977   4.040   7.301
  185    HB3  LYS  23           HB3      LYS  23  10.346   3.006   6.912
  186    HG2  LYS  23           HG2      LYS  23  11.813   4.537   8.296
  187    HG3  LYS  23           HG3      LYS  23  10.336   5.377   8.815
  188    HD2  LYS  23           HD2      LYS  23   9.412   3.184   9.609
  189    HD3  LYS  23           HD3      LYS  23  10.909   2.388   9.100
  190    HE2  LYS  23           HE2      LYS  23  12.177   3.851  10.723
  191    HE3  LYS  23           HE3      LYS  23  10.629   4.496  11.291
  192    HZ1  LYS  23           HZ1      LYS  23  11.392   2.647  12.677
  193    HZ2  LYS  23           HZ2      LYS  23  10.007   2.217  11.927
  194    HZ3  LYS  23           HZ3      LYS  23  11.447   1.625  11.379
  195    H    THR  24           H        THR  24  12.149   6.734   6.000
  196    HA   THR  24           HA       THR  24  10.412   8.987   6.667
  197    HB   THR  24           HB       THR  24  13.333   8.377   6.192
  198    HG1  THR  24           HG1      THR  24  12.719   8.163   8.244
  199   HG21  THR  24          HG21      THR  24  13.229  10.367   4.922
  200   HG22  THR  24          HG22      THR  24  12.303  11.209   6.203
  201   HG23  THR  24          HG23      THR  24  13.995  10.710   6.479
  202    H    LEU  25           H        LEU  25  12.409   7.901   3.912
  203    HA   LEU  25           HA       LEU  25  11.573  10.066   2.226
  204    HB2  LEU  25           HB2      LEU  25  13.324   7.647   1.908
  205    HB3  LEU  25           HB3      LEU  25  13.006   8.744   0.548
  206    HG   LEU  25           HG       LEU  25  14.317   9.466   3.182
  207   HD11  LEU  25          HD11      LEU  25  15.427   9.021   0.368
  208   HD12  LEU  25          HD12      LEU  25  16.380   9.675   1.709
  209   HD13  LEU  25          HD13      LEU  25  15.774   8.021   1.803
  210   HD21  LEU  25          HD21      LEU  25  14.953  11.590   1.990
  211   HD22  LEU  25          HD22      LEU  25  13.886  11.126   0.652
  212   HD23  LEU  25          HD23      LEU  25  13.218  11.458   2.269
  213    H    GLY  26           H        GLY  26  10.684   6.684   2.585
  214    HA2  GLY  26           HA2      GLY  26   9.055   6.568   0.128
  215    HA3  GLY  26           HA3      GLY  26   9.566   5.252   1.211
  216    H    ALA  27           H        ALA  27   8.419   7.992   2.912
  217    HA   ALA  27           HA       ALA  27   6.433   6.521   4.263
  218    HB1  ALA  27           HB1      ALA  27   5.913   8.675   5.341
  219    HB2  ALA  27           HB2      ALA  27   7.672   8.508   5.181
  220    HB3  ALA  27           HB3      ALA  27   6.788   9.554   4.062
  221    H    GLY  28           H        GLY  28   4.431   5.969   3.652
  222    HA2  GLY  28           HA2      GLY  28   2.305   6.182   2.779
  223    HA3  GLY  28           HA3      GLY  28   2.696   7.830   2.246
  224    H    LYS  29           H        LYS  29   5.030   5.630   1.099
  225    HA   LYS  29           HA       LYS  29   3.713   5.363  -1.531
  226    HB2  LYS  29           HB2      LYS  29   6.581   5.936  -0.774
  227    HB3  LYS  29           HB3      LYS  29   6.034   5.579  -2.410
  228    HG2  LYS  29           HG2      LYS  29   4.998   7.896  -0.726
  229    HG3  LYS  29           HG3      LYS  29   6.347   8.034  -1.854
  230    HD2  LYS  29           HD2      LYS  29   4.799   7.277  -3.704
  231    HD3  LYS  29           HD3      LYS  29   3.452   7.344  -2.549
  232    HE2  LYS  29           HE2      LYS  29   3.879   9.751  -2.166
  233    HE3  LYS  29           HE3      LYS  29   5.277   9.696  -3.250
  234    HZ1  LYS  29           HZ1      LYS  29   3.329  10.553  -4.396
  235    HZ2  LYS  29           HZ2      LYS  29   3.752   9.131  -5.075
  236    HZ3  LYS  29           HZ3      LYS  29   2.457   9.212  -4.069
  237    H    ILE  30           H        ILE  30   5.784   3.985   1.004
  238    HA   ILE  30           HA       ILE  30   5.275   1.258  -0.022
  239    HB   ILE  30           HB       ILE  30   7.658   0.712   0.406
  240   HG12  ILE  30          HG12      ILE  30   8.350   3.651   0.321
  241   HG13  ILE  30          HG13      ILE  30   8.012   2.889   1.872
  242   HG21  ILE  30          HG21      ILE  30   7.468   2.901  -1.707
  243   HG22  ILE  30          HG22      ILE  30   8.465   1.436  -1.686
  244   HG23  ILE  30          HG23      ILE  30   6.707   1.305  -1.867
  245   HD11  ILE  30          HD11      ILE  30   9.780   1.215   1.467
  246   HD12  ILE  30          HD12      ILE  30  10.213   2.075  -0.052
  247   HD13  ILE  30          HD13      ILE  30  10.382   2.879   1.523
  248    H    ALA  31           H        ALA  31   6.210  -0.291   1.642
  249    HA   ALA  31           HA       ALA  31   5.834   0.644   4.469
  250    HB1  ALA  31           HB1      ALA  31   5.042  -1.670   4.976
  251    HB2  ALA  31           HB2      ALA  31   3.937  -0.829   3.872
  252    HB3  ALA  31           HB3      ALA  31   5.063  -2.058   3.249
  253    H    VAL  32           H        VAL  32   7.571  -0.088   5.795
  254    HA   VAL  32           HA       VAL  32   9.834  -1.302   4.342
  255    HB   VAL  32           HB       VAL  32  10.046   0.900   6.364
  256   HG11  VAL  32          HG11      VAL  32  11.631   0.643   3.839
  257   HG12  VAL  32          HG12      VAL  32  12.035   1.465   5.373
  258   HG13  VAL  32          HG13      VAL  32  12.058  -0.304   5.302
  259   HG21  VAL  32          HG21      VAL  32  10.088   2.563   4.329
  260   HG22  VAL  32          HG22      VAL  32   9.153   1.342   3.508
  261   HG23  VAL  32          HG23      VAL  32   8.520   2.086   4.990
  262    H    THR  33           H        THR  33  11.247  -2.662   5.523
  263    HA   THR  33           HA       THR  33  10.768  -3.184   8.406
  264    HB   THR  33           HB       THR  33  10.993  -5.535   6.652
  265    HG1  THR  33           HG1      THR  33   9.527  -4.514   5.381
  266   HG21  THR  33          HG21      THR  33   9.109  -4.887   8.948
  267   HG22  THR  33          HG22      THR  33   9.300  -6.473   8.171
  268   HG23  THR  33          HG23      THR  33  10.652  -5.769   9.074
  269    H    SER  34           H        SER  34  12.652  -4.419   9.395
  270    HA   SER  34           HA       SER  34  14.986  -4.809   7.621
  271    HB2  SER  34           HB2      SER  34  16.458  -3.778   9.345
  272    HB3  SER  34           HB3      SER  34  15.464  -2.659   8.424
  273    HG   SER  34           HG       SER  34  14.048  -2.489  10.177
  274    H    CYS  35           H        CYS  35  16.610  -6.292   8.484
  275    HA   CYS  35           HA       CYS  35  16.090  -7.745  10.945
  276    HB2  CYS  35           HB2      CYS  35  15.638  -9.941   9.814
  277    HB3  CYS  35           HB3      CYS  35  14.387  -8.743   9.445
  278    HG   CYS  35           HG       CYS  35  15.201  -8.058   7.137
  279    H    GLY  36           H        GLY  36  17.596  -9.881  10.793
  280    HA2  GLY  36           HA2      GLY  36  19.757 -10.657  10.626
  281    HA3  GLY  36           HA3      GLY  36  20.004  -9.596   9.226
  282    H    LEU  37           H        LEU  37  19.096  -8.681  12.580
  283    HA   LEU  37           HA       LEU  37  21.212  -6.646  12.813
  284    HB2  LEU  37           HB2      LEU  37  19.052  -7.812  14.631
  285    HB3  LEU  37           HB3      LEU  37  20.444  -6.981  15.314
  286    HG   LEU  37           HG       LEU  37  19.838  -4.949  13.993
  287   HD11  LEU  37          HD11      LEU  37  17.218  -6.381  13.474
  288   HD12  LEU  37          HD12      LEU  37  17.560  -4.668  13.158
  289   HD13  LEU  37          HD13      LEU  37  18.427  -5.910  12.251
  290   HD21  LEU  37          HD21      LEU  37  17.898  -5.930  16.120
  291   HD22  LEU  37          HD22      LEU  37  19.363  -4.979  16.333
  292   HD23  LEU  37          HD23      LEU  37  17.964  -4.267  15.522
  293    H    GLU  38           H        GLU  38  23.320  -7.337  13.463
  294    HA   GLU  38           HA       GLU  38  23.793 -10.101  13.233
  295    HB2  GLU  38           HB2      GLU  38  25.228  -8.271  12.505
  296    HB3  GLU  38           HB3      GLU  38  25.717  -8.051  14.201
  297    HG2  GLU  38           HG2      GLU  38  27.413  -9.369  13.069
  298    HG3  GLU  38           HG3      GLU  38  26.553 -10.421  14.192
  299    H    SER  39           H        SER  39  22.506 -10.837  14.752
  300    HA   SER  39           HA       SER  39  21.992 -12.090  16.611
  301    HB2  SER  39           HB2      SER  39  25.030 -12.238  16.757
  302    HB3  SER  39           HB3      SER  39  23.911 -13.362  17.570
  303    HG   SER  39           HG       SER  39  24.668 -14.177  15.540
  304    H    SER  40           H        SER  40  22.023  -9.274  17.039
  305    HA   SER  40           HA       SER  40  22.463  -9.024  19.947
  306    HB2  SER  40           HB2      SER  40  23.712  -7.112  17.908
  307    HB3  SER  40           HB3      SER  40  23.855  -7.029  19.667
  308    HG   SER  40           HG       SER  40  24.971  -8.902  17.860
  309    H    ARG  41           H        ARG  41  21.624  -6.832  20.645
  310    HA   ARG  41           HA       ARG  41  19.150  -6.059  19.187
  311    HB2  ARG  41           HB2      ARG  41  20.382  -5.468  21.906
  312    HB3  ARG  41           HB3      ARG  41  19.197  -4.356  21.247
  313    HG2  ARG  41           HG2      ARG  41  18.127  -5.957  22.711
  314    HG3  ARG  41           HG3      ARG  41  17.512  -6.071  21.063
  315    HD2  ARG  41           HD2      ARG  41  18.838  -8.128  20.682
  316    HD3  ARG  41           HD3      ARG  41  19.575  -7.956  22.277
  317    HE   ARG  41           HE       ARG  41  17.657  -8.678  23.315
  318   HH11  ARG  41          HH11      ARG  41  16.981  -8.438  19.794
  319   HH12  ARG  41          HH12      ARG  41  15.480  -9.287  19.929
  320   HH21  ARG  41          HH21      ARG  41  15.679  -9.792  23.435
  321   HH22  ARG  41          HH22      ARG  41  14.736 -10.081  22.020
  322    H    VAL  42           H        VAL  42  19.077  -3.362  19.429
  323    HA   VAL  42           HA       VAL  42  20.586  -2.431  17.243
  324    HB   VAL  42           HB       VAL  42  19.678  -0.259  17.853
  325   HG11  VAL  42          HG11      VAL  42  17.542  -2.329  18.441
  326   HG12  VAL  42          HG12      VAL  42  17.346  -0.738  17.698
  327   HG13  VAL  42          HG13      VAL  42  18.196  -2.023  16.823
  328   HG21  VAL  42          HG21      VAL  42  20.012  -0.226  20.299
  329   HG22  VAL  42          HG22      VAL  42  18.327   0.107  19.905
  330   HG23  VAL  42          HG23      VAL  42  18.781  -1.488  20.507
  331    H    HIS  43           H        HIS  43  21.957  -0.548  17.216
  332    HA   HIS  43           HA       HIS  43  24.194  -0.970  19.131
  333    HB2  HIS  43           HB2      HIS  43  24.416  -1.961  16.893
  334    HB3  HIS  43           HB3      HIS  43  24.198  -0.375  16.155
  335    HD1  HIS  43           HD1      HIS  43  26.708  -2.132  18.589
  336    HD2  HIS  43           HD2      HIS  43  26.349   1.126  15.945
  337    HE1  HIS  43           HE1      HIS  43  29.013  -1.055  18.455
  338    HA   PRO  44           HA       PRO  44  22.877   3.226  19.958
  339    HB2  PRO  44           HB2      PRO  44  24.822   3.973  21.819
  340    HB3  PRO  44           HB3      PRO  44  23.337   3.033  22.158
  341    HG2  PRO  44           HG2      PRO  44  26.125   1.993  21.618
  342    HG3  PRO  44           HG3      PRO  44  24.977   1.487  22.903
  343    HD2  PRO  44           HD2      PRO  44  25.252   0.040  20.659
  344    HD3  PRO  44           HD3      PRO  44  23.609   0.325  21.328
  345    H    THR  45           H        THR  45  26.310   2.624  18.978
  346    HA   THR  45           HA       THR  45  26.913   5.271  18.295
  347    HB   THR  45           HB       THR  45  27.852   2.987  16.554
  348    HG1  THR  45           HG1      THR  45  28.606   1.949  18.164
  349   HG21  THR  45          HG21      THR  45  30.003   4.171  16.747
  350   HG22  THR  45          HG22      THR  45  28.737   5.269  16.176
  351   HG23  THR  45          HG23      THR  45  29.268   5.346  17.870
  352    H    ALA  46           H        ALA  46  24.905   2.872  16.498
  353    HA   ALA  46           HA       ALA  46  24.814   4.523  14.098
  354    HB1  ALA  46           HB1      ALA  46  22.831   2.358  14.955
  355    HB2  ALA  46           HB2      ALA  46  23.101   2.992  13.311
  356    HB3  ALA  46           HB3      ALA  46  24.356   2.021  14.109
  357    H    ILE  47           H        ILE  47  22.757   3.987  16.979
  358    HA   ILE  47           HA       ILE  47  20.633   5.680  16.218
  359    HB   ILE  47           HB       ILE  47  21.675   4.903  18.902
  360   HG12  ILE  47          HG12      ILE  47  19.474   3.891  19.150
  361   HG13  ILE  47          HG13      ILE  47  19.073   4.353  17.485
  362   HG21  ILE  47          HG21      ILE  47  19.690   5.971  19.961
  363   HG22  ILE  47          HG22      ILE  47  20.812   7.154  19.319
  364   HG23  ILE  47          HG23      ILE  47  19.318   6.765  18.423
  365   HD11  ILE  47          HD11      ILE  47  19.604   2.001  17.751
  366   HD12  ILE  47          HD12      ILE  47  20.843   2.764  16.720
  367   HD13  ILE  47          HD13      ILE  47  21.182   2.383  18.440
  368    H    ALA  48           H        ALA  48  23.674   6.494  17.975
  369    HA   ALA  48           HA       ALA  48  23.134   9.232  18.263
  370    HB1  ALA  48           HB1      ALA  48  25.845   7.912  17.828
  371    HB2  ALA  48           HB2      ALA  48  25.540   9.535  18.498
  372    HB3  ALA  48           HB3      ALA  48  24.999   8.103  19.391
  373    H    MET  49           H        MET  49  24.653   7.534  15.485
  374    HA   MET  49           HA       MET  49  25.263   9.961  14.103
  375    HB2  MET  49           HB2      MET  49  24.929   7.148  13.040
  376    HB3  MET  49           HB3      MET  49  25.408   8.534  12.046
  377    HG2  MET  49           HG2      MET  49  26.894   7.250  14.296
  378    HG3  MET  49           HG3      MET  49  27.377   7.531  12.616
  379    HE1  MET  49           HE1      MET  49  28.486   9.869  16.226
  380    HE2  MET  49           HE2      MET  49  26.766   9.491  16.114
  381    HE3  MET  49           HE3      MET  49  27.963   8.173  15.999
  382    H    MET  50           H        MET  50  22.258   8.245  14.514
  383    HA   MET  50           HA       MET  50  21.082   9.642  12.177
  384    HB2  MET  50           HB2      MET  50  19.648   7.707  13.994
  385    HB3  MET  50           HB3      MET  50  19.254   8.212  12.347
  386    HG2  MET  50           HG2      MET  50  21.105   6.182  13.304
  387    HG3  MET  50           HG3      MET  50  20.079   6.205  11.898
  388    HE1  MET  50           HE1      MET  50  23.508   5.250  12.401
  389    HE2  MET  50           HE2      MET  50  22.330   4.686  11.193
  390    HE3  MET  50           HE3      MET  50  23.881   5.421  10.691
  391    H    GLU  51           H        GLU  51  21.095   9.649  15.724
  392    HA   GLU  51           HA       GLU  51  19.051  11.575  16.110
  393    HB2  GLU  51           HB2      GLU  51  20.090  10.115  17.876
  394    HB3  GLU  51           HB3      GLU  51  21.622  10.976  17.704
  395    HG2  GLU  51           HG2      GLU  51  20.559  13.065  18.475
  396    HG3  GLU  51           HG3      GLU  51  18.988  12.258  18.558
  397    H    GLU  52           H        GLU  52  22.456  11.781  15.208
  398    HA   GLU  52           HA       GLU  52  22.862  14.565  15.295
  399    HB2  GLU  52           HB2      GLU  52  24.028  12.252  13.743
  400    HB3  GLU  52           HB3      GLU  52  24.513  13.878  13.310
  401    HG2  GLU  52           HG2      GLU  52  24.755  12.847  16.165
  402    HG3  GLU  52           HG3      GLU  52  26.007  12.592  14.959
  403    H    VAL  53           H        VAL  53  20.704  12.780  13.209
  404    HA   VAL  53           HA       VAL  53  20.184  15.216  11.621
  405    HB   VAL  53           HB       VAL  53  19.708  13.651   9.724
  406   HG11  VAL  53          HG11      VAL  53  22.009  13.545   8.930
  407   HG12  VAL  53          HG12      VAL  53  21.717  15.077   9.772
  408   HG13  VAL  53          HG13      VAL  53  22.618  13.779  10.581
  409   HG21  VAL  53          HG21      VAL  53  21.400  11.629  11.211
  410   HG22  VAL  53          HG22      VAL  53  19.649  11.484  10.885
  411   HG23  VAL  53          HG23      VAL  53  20.805  11.493   9.552
  412    H    GLY  54           H        GLY  54  18.962  13.653  14.077
  413    HA2  GLY  54           HA2      GLY  54  16.875  13.601  14.963
  414    HA3  GLY  54           HA3      GLY  54  16.320  14.545  13.578
  415    H    ILE  55           H        ILE  55  17.627  11.152  13.691
  416    HA   ILE  55           HA       ILE  55  14.952  10.123  12.994
  417    HB   ILE  55           HB       ILE  55  17.509   9.185  11.674
  418   HG12  ILE  55          HG12      ILE  55  15.058  10.729  10.735
  419   HG13  ILE  55          HG13      ILE  55  16.755  11.235  10.698
  420   HG21  ILE  55          HG21      ILE  55  14.672   8.079  11.473
  421   HG22  ILE  55          HG22      ILE  55  16.042   7.575  10.467
  422   HG23  ILE  55          HG23      ILE  55  16.093   7.243  12.168
  423   HD11  ILE  55          HD11      ILE  55  15.387   9.156   9.012
  424   HD12  ILE  55          HD12      ILE  55  16.239  10.629   8.492
  425   HD13  ILE  55          HD13      ILE  55  17.164   9.245   9.162
  426    H    ASP  56           H        ASP  56  14.556   8.012  13.861
  427    HA   ASP  56           HA       ASP  56  16.293   7.200  16.165
  428    HB2  ASP  56           HB2      ASP  56  14.225   7.952  17.073
  429    HB3  ASP  56           HB3      ASP  56  13.282   7.165  15.800
  430    H    ILE  57           H        ILE  57  17.168   5.237  15.949
  431    HA   ILE  57           HA       ILE  57  15.741   3.075  14.493
  432    HB   ILE  57           HB       ILE  57  17.941   2.261  13.674
  433   HG12  ILE  57          HG12      ILE  57  19.033   5.048  14.113
  434   HG13  ILE  57          HG13      ILE  57  19.514   3.597  15.004
  435   HG21  ILE  57          HG21      ILE  57  17.267   4.931  12.398
  436   HG22  ILE  57          HG22      ILE  57  17.711   3.395  11.614
  437   HG23  ILE  57          HG23      ILE  57  16.131   3.559  12.343
  438   HD11  ILE  57          HD11      ILE  57  20.260   2.532  12.895
  439   HD12  ILE  57          HD12      ILE  57  19.819   4.008  11.986
  440   HD13  ILE  57          HD13      ILE  57  21.098   4.042  13.216
  441    H    SER  58           H        SER  58  16.296   4.049  17.438
  442    HA   SER  58           HA       SER  58  17.484   1.678  18.564
  443    HB2  SER  58           HB2      SER  58  16.062   3.274  20.482
  444    HB3  SER  58           HB3      SER  58  17.808   3.007  20.268
  445    HG   SER  58           HG       SER  58  16.229   5.016  18.969
  446    H    GLY  59           H        GLY  59  14.187   2.855  17.871
  447    HA2  GLY  59           HA2      GLY  59  12.842   0.946  19.570
  448    HA3  GLY  59           HA3      GLY  59  12.134   1.934  18.282
  449    H    GLN  60           H        GLN  60  14.557   0.476  16.696
  450    HA   GLN  60           HA       GLN  60  12.938  -1.510  15.360
  451    HB2  GLN  60           HB2      GLN  60  15.854  -0.593  15.206
  452    HB3  GLN  60           HB3      GLN  60  15.159  -1.839  14.137
  453    HG2  GLN  60           HG2      GLN  60  13.469  -0.184  13.406
  454    HG3  GLN  60           HG3      GLN  60  14.281   1.062  14.401
  455   HE21  GLN  60          HE22      GLN  60  13.994   0.496  11.258
  456   HE22  GLN  60          HE21      GLN  60  15.664   0.819  10.754
  457    H    THR  61           H        THR  61  13.586  -3.790  15.281
  458    HA   THR  61           HA       THR  61  15.506  -4.640  17.283
  459    HB   THR  61           HB       THR  61  13.505  -6.443  17.923
  460    HG1  THR  61           HG1      THR  61  11.829  -5.413  16.832
  461   HG21  THR  61          HG21      THR  61  13.808  -3.716  19.186
  462   HG22  THR  61          HG22      THR  61  13.397  -5.249  19.994
  463   HG23  THR  61          HG23      THR  61  15.033  -4.997  19.326
  464    H    SER  62           H        SER  62  15.830  -6.973  17.540
  465    HA   SER  62           HA       SER  62  16.880  -7.914  15.123
  466    HB2  SER  62           HB2      SER  62  16.584  -9.633  17.584
  467    HB3  SER  62           HB3      SER  62  17.986  -9.436  16.531
  468    HG   SER  62           HG       SER  62  18.647  -7.850  17.774
  469    H    ASP  63           H        ASP  63  16.414  -9.682  13.838
  470    HA   ASP  63           HA       ASP  63  14.746 -11.824  14.605
  471    HB2  ASP  63           HB2      ASP  63  13.396  -9.613  13.189
  472    HB3  ASP  63           HB3      ASP  63  13.407 -11.072  12.223
  473    HA   PRO  64           HA       PRO  64  17.666 -12.961  11.381
  474    HB2  PRO  64           HB2      PRO  64  17.247 -15.647  11.148
  475    HB3  PRO  64           HB3      PRO  64  17.973 -14.904  12.607
  476    HG2  PRO  64           HG2      PRO  64  15.112 -15.770  12.172
  477    HG3  PRO  64           HG3      PRO  64  16.154 -16.057  13.600
  478    HD2  PRO  64           HD2      PRO  64  14.318 -14.003  13.461
  479    HD3  PRO  64           HD3      PRO  64  15.830 -13.897  14.413
  480    H    ILE  65           H        ILE  65  17.759 -13.649   9.164
  481    HA   ILE  65           HA       ILE  65  15.644 -12.756   7.527
  482    HB   ILE  65           HB       ILE  65  18.006 -12.753   6.882
  483   HG12  ILE  65          HG12      ILE  65  16.193 -14.341   5.017
  484   HG13  ILE  65          HG13      ILE  65  16.435 -12.596   5.095
  485   HG21  ILE  65          HG21      ILE  65  19.287 -14.713   6.301
  486   HG22  ILE  65          HG22      ILE  65  18.659 -14.987   7.913
  487   HG23  ILE  65          HG23      ILE  65  17.885 -15.773   6.520
  488   HD11  ILE  65          HD11      ILE  65  17.573 -13.431   3.163
  489   HD12  ILE  65          HD12      ILE  65  18.844 -13.012   4.331
  490   HD13  ILE  65          HD13      ILE  65  18.389 -14.704   4.078
  491    H    GLU  66           H        GLU  66  16.490 -15.994   8.653
  492    HA   GLU  66           HA       GLU  66  14.777 -17.384   6.887
  493    HB2  GLU  66           HB2      GLU  66  16.132 -18.035   9.524
  494    HB3  GLU  66           HB3      GLU  66  15.113 -19.236   8.698
  495    HG2  GLU  66           HG2      GLU  66  16.539 -19.006   6.657
  496    HG3  GLU  66           HG3      GLU  66  17.603 -17.914   7.548
  497    H    ASN  67           H        ASN  67  13.999 -15.645   9.824
  498    HA   ASN  67           HA       ASN  67  11.487 -17.004  10.208
  499    HB2  ASN  67           HB2      ASN  67  11.419 -15.935  12.139
  500    HB3  ASN  67           HB3      ASN  67  12.981 -15.220  11.774
  501   HD21  ASN  67          HD22      ASN  67  13.023 -13.122  10.651
  502   HD22  ASN  67          HD21      ASN  67  11.658 -12.034  10.806
  503    H    PHE  68           H        PHE  68  12.689 -14.656   7.944
  504    HA   PHE  68           HA       PHE  68  10.023 -13.520   7.485
  505    HB2  PHE  68           HB2      PHE  68  12.818 -12.606   6.779
  506    HB3  PHE  68           HB3      PHE  68  11.443 -11.999   5.890
  507    HD1  PHE  68           HD1      PHE  68   9.390 -11.145   7.327
  508    HD2  PHE  68           HD2      PHE  68  13.446 -11.414   8.764
  509    HE1  PHE  68           HE1      PHE  68   8.875  -9.461   9.068
  510    HE2  PHE  68           HE2      PHE  68  12.904  -9.728  10.523
  511    HZ   PHE  68           HZ       PHE  68  10.651  -8.745  10.670
  512    H    ASN  69           H        ASN  69   9.577 -13.083   5.118
  513    HA   ASN  69           HA       ASN  69  10.298 -15.266   3.283
  514    HB2  ASN  69           HB2      ASN  69   7.779 -15.561   2.833
  515    HB3  ASN  69           HB3      ASN  69   8.534 -16.425   4.154
  516   HD21  ASN  69          HD22      ASN  69   6.930 -13.199   3.705
  517   HD22  ASN  69          HD21      ASN  69   5.927 -13.341   5.148
  518    H    ALA  70           H        ALA  70  11.299 -13.832   1.968
  519    HA   ALA  70           HA       ALA  70  10.516 -11.280   1.191
  520    HB1  ALA  70           HB1      ALA  70  12.621 -12.190   0.566
  521    HB2  ALA  70           HB2      ALA  70  11.856 -13.507  -0.386
  522    HB3  ALA  70           HB3      ALA  70  11.739 -11.819  -0.923
  523    H    ASP  71           H        ASP  71   9.091 -14.368   0.304
  524    HA   ASP  71           HA       ASP  71   7.811 -13.757  -2.130
  525    HB2  ASP  71           HB2      ASP  71   7.752 -15.986  -1.130
  526    HB3  ASP  71           HB3      ASP  71   6.814 -15.370   0.242
  527    H    ASP  72           H        ASP  72   7.184 -12.598   1.124
  528    HA   ASP  72           HA       ASP  72   4.590 -11.403   0.375
  529    HB2  ASP  72           HB2      ASP  72   4.897 -12.608   2.531
  530    HB3  ASP  72           HB3      ASP  72   6.049 -11.357   3.022
  531    H    TYR  73           H        TYR  73   7.857 -10.336   0.084
  532    HA   TYR  73           HA       TYR  73   7.047  -7.561   0.571
  533    HB2  TYR  73           HB2      TYR  73   9.853  -8.560   1.055
  534    HB3  TYR  73           HB3      TYR  73   9.232  -6.920   1.276
  535    HD1  TYR  73           HD1      TYR  73   8.746 -10.426   2.454
  536    HD2  TYR  73           HD2      TYR  73   8.504  -6.252   3.410
  537    HE1  TYR  73           HE1      TYR  73   8.011 -11.040   4.716
  538    HE2  TYR  73           HE2      TYR  73   7.789  -6.827   5.729
  539    HH   TYR  73           HH       TYR  73   7.192 -10.203   6.802
  540    H    ASP  74           H        ASP  74   6.987  -6.415  -1.237
  541    HA   ASP  74           HA       ASP  74   7.709  -7.791  -3.657
  542    HB2  ASP  74           HB2      ASP  74   5.913  -5.868  -3.190
  543    HB3  ASP  74           HB3      ASP  74   7.284  -4.819  -3.609
  544    H    VAL  75           H        VAL  75   9.717  -5.852  -1.627
  545    HA   VAL  75           HA       VAL  75  11.747  -5.555  -3.784
  546    HB   VAL  75           HB       VAL  75  10.401  -3.555  -2.105
  547   HG11  VAL  75          HG11      VAL  75  13.077  -3.233  -2.233
  548   HG12  VAL  75          HG12      VAL  75  12.593  -2.358  -3.701
  549   HG13  VAL  75          HG13      VAL  75  11.903  -1.890  -2.174
  550   HG21  VAL  75          HG21      VAL  75   9.257  -3.713  -4.137
  551   HG22  VAL  75          HG22      VAL  75  10.132  -2.197  -4.127
  552   HG23  VAL  75          HG23      VAL  75  10.753  -3.572  -5.066
  553    H    VAL  76           H        VAL  76  13.598  -6.623  -2.916
  554    HA   VAL  76           HA       VAL  76  13.882  -6.454   0.044
  555    HB   VAL  76           HB       VAL  76  14.763  -8.754  -0.073
  556   HG11  VAL  76          HG11      VAL  76  12.606  -9.810   0.116
  557   HG12  VAL  76          HG12      VAL  76  12.411  -8.154   0.689
  558   HG13  VAL  76          HG13      VAL  76  11.843  -8.588  -0.923
  559   HG21  VAL  76          HG21      VAL  76  13.442  -8.933  -2.808
  560   HG22  VAL  76          HG22      VAL  76  15.182  -9.038  -2.478
  561   HG23  VAL  76          HG23      VAL  76  14.097 -10.281  -1.859
  562    H    ILE  77           H        ILE  77  15.757  -5.951   0.791
  563    HA   ILE  77           HA       ILE  77  17.975  -5.491  -1.123
  564    HB   ILE  77           HB       ILE  77  16.998  -3.744   1.166
  565   HG12  ILE  77          HG12      ILE  77  15.351  -3.588  -0.644
  566   HG13  ILE  77          HG13      ILE  77  16.256  -2.114  -0.486
  567   HG21  ILE  77          HG21      ILE  77  19.407  -3.584   0.833
  568   HG22  ILE  77          HG22      ILE  77  19.187  -3.311  -0.905
  569   HG23  ILE  77          HG23      ILE  77  18.603  -2.113   0.274
  570   HD11  ILE  77          HD11      ILE  77  16.918  -4.210  -2.596
  571   HD12  ILE  77          HD12      ILE  77  15.827  -2.848  -2.846
  572   HD13  ILE  77          HD13      ILE  77  17.546  -2.563  -2.485
  573    H    SER  78           H        SER  78  19.241  -7.164  -0.610
  574    HA   SER  78           HA       SER  78  19.697  -7.953   2.196
  575    HB2  SER  78           HB2      SER  78  19.589  -9.681   0.591
  576    HB3  SER  78           HB3      SER  78  20.747  -8.875  -0.492
  577    HG   SER  78           HG       SER  78  22.346  -9.524   0.637
  578    H    LEU  79           H        LEU  79  22.067  -7.798   2.941
  579    HA   LEU  79           HA       LEU  79  23.691  -5.721   1.675
  580    HB2  LEU  79           HB2      LEU  79  22.913  -5.441   4.628
  581    HB3  LEU  79           HB3      LEU  79  24.207  -4.601   3.790
  582    HG   LEU  79           HG       LEU  79  22.366  -3.731   2.204
  583   HD11  LEU  79          HD11      LEU  79  20.212  -3.202   3.391
  584   HD12  LEU  79          HD12      LEU  79  20.383  -4.907   3.004
  585   HD13  LEU  79          HD13      LEU  79  20.681  -4.380   4.641
  586   HD21  LEU  79          HD21      LEU  79  23.724  -2.331   3.704
  587   HD22  LEU  79          HD22      LEU  79  22.058  -1.760   3.687
  588   HD23  LEU  79          HD23      LEU  79  22.637  -2.727   5.064
  589    H    CYS  80           H        CYS  80  23.915  -8.427   1.573
  590    HA   CYS  80           HA       CYS  80  25.679  -9.294   3.796
  591    HB2  CYS  80           HB2      CYS  80  24.179 -11.023   1.755
  592    HB3  CYS  80           HB3      CYS  80  25.146 -11.543   3.145
  593    HG   CYS  80           HG       CYS  80  22.184 -10.248   2.901
  594    H    GLY  81           H        GLY  81  26.188  -7.721   1.034
  595    HA2  GLY  81           HA2      GLY  81  28.363  -7.356   0.210
  596    HA3  GLY  81           HA3      GLY  81  28.885  -8.951   0.766
  597    H    CYS  82           H        CYS  82  25.880  -8.508  -0.973
  598    HA   CYS  82           HA       CYS  82  25.059  -9.631  -2.776
  599    HB2  CYS  82           HB2      CYS  82  26.204  -7.430  -3.513
  600    HB3  CYS  82           HB3      CYS  82  27.417  -8.474  -4.284
  601    HG   CYS  82           HG       CYS  82  25.761  -7.709  -6.140
  602    H    GLY  83           H        GLY  83  26.329 -11.493  -1.271
  603    HA2  GLY  83           HA2      GLY  83  27.415 -13.419  -3.238
  604    HA3  GLY  83           HA3      GLY  83  28.470 -12.903  -1.913
  605    H    VAL  84           H        VAL  84  24.912 -13.396  -1.770
  606    HA   VAL  84           HA       VAL  84  25.302 -15.746  -0.051
  607    HB   VAL  84           HB       VAL  84  23.358 -13.462   0.399
  608   HG11  VAL  84          HG11      VAL  84  23.692 -16.054   1.993
  609   HG12  VAL  84          HG12      VAL  84  22.627 -14.689   2.399
  610   HG13  VAL  84          HG13      VAL  84  22.296 -15.662   0.968
  611   HG21  VAL  84          HG21      VAL  84  24.657 -13.475   2.611
  612   HG22  VAL  84          HG22      VAL  84  25.849 -14.500   1.815
  613   HG23  VAL  84          HG23      VAL  84  25.534 -12.869   1.164
  614    H    ASN  85           H        ASN  85  24.083 -17.486  -0.688
  615    HA   ASN  85           HA       ASN  85  22.376 -17.303  -3.080
  616    HB2  ASN  85           HB2      ASN  85  23.213 -19.626  -1.296
  617    HB3  ASN  85           HB3      ASN  85  22.064 -19.782  -2.619
  618   HD21  ASN  85          HD22      ASN  85  25.070 -20.698  -2.093
  619   HD22  ASN  85          HD21      ASN  85  25.806 -20.347  -3.638
  620    H    LEU  86           H        LEU  86  20.991 -15.694  -1.967
  621    HA   LEU  86           HA       LEU  86  19.310 -16.324   0.254
  622    HB2  LEU  86           HB2      LEU  86  18.596 -14.642  -2.177
  623    HB3  LEU  86           HB3      LEU  86  17.823 -14.583  -0.596
  624    HG   LEU  86           HG       LEU  86  20.696 -13.738  -1.149
  625   HD11  LEU  86          HD11      LEU  86  18.227 -12.023  -0.655
  626   HD12  LEU  86          HD12      LEU  86  19.891 -11.459  -0.956
  627   HD13  LEU  86          HD13      LEU  86  18.990 -12.288  -2.237
  628   HD21  LEU  86          HD21      LEU  86  18.992 -13.258   1.333
  629   HD22  LEU  86          HD22      LEU  86  20.285 -14.467   1.232
  630   HD23  LEU  86          HD23      LEU  86  20.675 -12.745   1.078
  631    HA   PRO  87           HA       PRO  87  16.674 -19.458  -1.493
  632    HB2  PRO  87           HB2      PRO  87  14.335 -18.034  -0.286
  633    HB3  PRO  87           HB3      PRO  87  14.799 -19.747  -0.146
  634    HG2  PRO  87           HG2      PRO  87  15.248 -17.925   1.886
  635    HG3  PRO  87           HG3      PRO  87  16.361 -19.289   1.556
  636    HD2  PRO  87           HD2      PRO  87  16.715 -16.383   0.903
  637    HD3  PRO  87           HD3      PRO  87  17.925 -17.634   1.288
  638    HA   PRO  88           HA       PRO  88  15.244 -17.879  -5.224
  639    HB2  PRO  88           HB2      PRO  88  12.745 -19.588  -5.042
  640    HB3  PRO  88           HB3      PRO  88  13.864 -19.392  -6.430
  641    HG2  PRO  88           HG2      PRO  88  14.058 -21.556  -4.816
  642    HG3  PRO  88           HG3      PRO  88  15.543 -20.704  -5.360
  643    HD2  PRO  88           HD2      PRO  88  14.141 -20.525  -2.693
  644    HD3  PRO  88           HD3      PRO  88  15.889 -20.598  -3.064
  645    H    GLU  89           H        GLU  89  12.743 -17.668  -2.692
  646    HA   GLU  89           HA       GLU  89  10.964 -16.008  -4.171
  647    HB2  GLU  89           HB2      GLU  89  10.053 -15.466  -1.919
  648    HB3  GLU  89           HB3      GLU  89  10.096 -17.187  -2.329
  649    HG2  GLU  89           HG2      GLU  89  12.129 -17.464  -0.928
  650    HG3  GLU  89           HG3      GLU  89  12.051 -15.759  -0.490
  651    H    TRP  90           H        TRP  90  13.938 -15.392  -2.423
  652    HA   TRP  90           HA       TRP  90  13.475 -12.576  -2.150
  653    HB2  TRP  90           HB2      TRP  90  15.972 -14.300  -1.993
  654    HB3  TRP  90           HB3      TRP  90  15.993 -12.570  -1.687
  655    HD1  TRP  90           HD1      TRP  90  14.527 -15.788  -0.181
  656    HE1  TRP  90           HE1      TRP  90  14.011 -15.436   2.305
  657    HE3  TRP  90           HE3      TRP  90  15.625 -10.834   0.144
  658    HZ2  TRP  90           HZ2      TRP  90  13.919 -13.222   4.159
  659    HZ3  TRP  90           HZ3      TRP  90  15.215  -9.574   2.255
  660    HH2  TRP  90           HH2      TRP  90  14.381 -10.780   4.277
  661    H    VAL  91           H        VAL  91  13.991 -14.316  -5.026
  662    HA   VAL  91           HA       VAL  91  15.193 -11.910  -6.244
  663    HB   VAL  91           HB       VAL  91  16.203 -13.329  -7.918
  664   HG11  VAL  91          HG11      VAL  91  18.045 -14.137  -6.562
  665   HG12  VAL  91          HG12      VAL  91  17.444 -12.636  -5.841
  666   HG13  VAL  91          HG13      VAL  91  17.032 -14.190  -5.106
  667   HG21  VAL  91          HG21      VAL  91  14.686 -15.346  -7.715
  668   HG22  VAL  91          HG22      VAL  91  16.421 -15.696  -7.766
  669   HG23  VAL  91          HG23      VAL  91  15.568 -15.758  -6.221
  670    H    THR  92           H        THR  92  12.255 -13.645  -6.139
  671    HA   THR  92           HA       THR  92  11.537 -13.123  -8.921
  672    HB   THR  92           HB       THR  92   9.333 -14.081  -8.050
  673    HG1  THR  92           HG1      THR  92   9.322 -14.886  -5.995
  674   HG21  THR  92          HG21      THR  92  10.299 -16.365  -7.829
  675   HG22  THR  92          HG22      THR  92  11.080 -15.457  -9.140
  676   HG23  THR  92          HG23      THR  92  11.913 -15.652  -7.591
  677    H    GLN  93           H        GLN  93  11.401 -11.389  -5.963
  678    HA   GLN  93           HA       GLN  93   9.294  -9.668  -6.093
  679    HB2  GLN  93           HB2      GLN  93  12.202  -9.452  -5.198
  680    HB3  GLN  93           HB3      GLN  93  10.951  -8.329  -4.679
  681    HG2  GLN  93           HG2      GLN  93  11.562 -11.067  -3.806
  682    HG3  GLN  93           HG3      GLN  93  11.001  -9.708  -2.880
  683   HE21  GLN  93          HE22      GLN  93  10.204 -12.698  -3.829
  684   HE22  GLN  93          HE21      GLN  93   8.446 -12.627  -3.971
  685    H    GLU  94           H        GLU  94   9.496  -7.211  -6.359
  686    HA   GLU  94           HA       GLU  94   9.968  -6.640  -9.130
  687    HB2  GLU  94           HB2      GLU  94   8.095  -5.533  -8.347
  688    HB3  GLU  94           HB3      GLU  94   8.751  -5.321  -6.738
  689    HG2  GLU  94           HG2      GLU  94   8.531  -3.197  -7.711
  690    HG3  GLU  94           HG3      GLU  94  10.212  -3.589  -7.398
  691    H    ILE  95           H        ILE  95  11.408  -5.927  -5.919
  692    HA   ILE  95           HA       ILE  95  13.930  -5.270  -7.433
  693    HB   ILE  95           HB       ILE  95  13.011  -4.068  -4.848
  694   HG12  ILE  95          HG12      ILE  95  12.197  -2.856  -6.768
  695   HG13  ILE  95          HG13      ILE  95  13.406  -1.933  -5.847
  696   HG21  ILE  95          HG21      ILE  95  15.256  -2.818  -4.929
  697   HG22  ILE  95          HG22      ILE  95  15.338  -4.527  -4.469
  698   HG23  ILE  95          HG23      ILE  95  15.786  -4.006  -6.110
  699   HD11  ILE  95          HD11      ILE  95  13.589  -1.629  -8.299
  700   HD12  ILE  95          HD12      ILE  95  15.067  -2.327  -7.619
  701   HD13  ILE  95          HD13      ILE  95  13.913  -3.350  -8.512
  702    H    PHE  96           H        PHE  96  15.705  -6.282  -6.876
  703    HA   PHE  96           HA       PHE  96  16.011  -7.627  -4.336
  704    HB2  PHE  96           HB2      PHE  96  15.533  -9.636  -5.505
  705    HB3  PHE  96           HB3      PHE  96  16.364  -9.087  -6.964
  706    HD1  PHE  96           HD1      PHE  96  17.443  -9.029  -3.322
  707    HD2  PHE  96           HD2      PHE  96  18.301 -10.383  -7.331
  708    HE1  PHE  96           HE1      PHE  96  19.741  -9.615  -2.631
  709    HE2  PHE  96           HE2      PHE  96  20.573 -11.080  -6.588
  710    HZ   PHE  96           HZ       PHE  96  21.296 -10.695  -4.250
  711    H    GLU  97           H        GLU  97  17.739  -6.472  -3.672
  712    HA   GLU  97           HA       GLU  97  20.012  -6.092  -5.492
  713    HB2  GLU  97           HB2      GLU  97  18.606  -3.847  -4.016
  714    HB3  GLU  97           HB3      GLU  97  20.329  -3.768  -4.366
  715    HG2  GLU  97           HG2      GLU  97  19.884  -3.943  -6.760
  716    HG3  GLU  97           HG3      GLU  97  18.145  -4.075  -6.448
  717    H    ASP  98           H        ASP  98  21.878  -5.378  -4.052
  718    HA   ASP  98           HA       ASP  98  21.644  -6.299  -1.309
  719    HB2  ASP  98           HB2      ASP  98  22.416  -8.321  -2.435
  720    HB3  ASP  98           HB3      ASP  98  23.816  -7.434  -3.037
  721    H    TRP  99           H        TRP  99  22.171  -4.469  -0.317
  722    HA   TRP  99           HA       TRP  99  24.100  -2.609  -1.557
  723    HB2  TRP  99           HB2      TRP  99  22.237  -2.233   0.802
  724    HB3  TRP  99           HB3      TRP  99  23.335  -1.030   0.175
  725    HD1  TRP  99           HD1      TRP  99  22.270  -2.458  -2.939
  726    HE1  TRP  99           HE1      TRP  99  20.125  -1.488  -3.880
  727    HE3  TRP  99           HE3      TRP  99  20.692   0.088   1.211
  728    HZ2  TRP  99           HZ2      TRP  99  17.903   0.058  -2.921
  729    HZ3  TRP  99           HZ3      TRP  99  18.513   1.287   1.149
  730    HH2  TRP  99           HH2      TRP  99  17.110   1.225  -0.877
  731    H    GLN 100           H        GLN 100  25.474  -4.429  -1.312
  732    HA   GLN 100           HA       GLN 100  27.020  -5.372   0.651
  733    HB2  GLN 100           HB2      GLN 100  28.768  -5.381  -1.105
  734    HB3  GLN 100           HB3      GLN 100  27.174  -5.889  -1.658
  735    HG2  GLN 100           HG2      GLN 100  27.036  -3.272  -2.417
  736    HG3  GLN 100           HG3      GLN 100  28.783  -3.443  -2.378
  737   HE21  GLN 100          HE22      GLN 100  25.735  -4.805  -3.801
  738   HE22  GLN 100          HE21      GLN 100  26.513  -5.367  -5.264
  739    H    LEU 101           H        LEU 101  26.447  -2.192   0.932
  740    HA   LEU 101           HA       LEU 101  28.838  -0.765   0.412
  741    HB2  LEU 101           HB2      LEU 101  26.240  -0.212   1.919
  742    HB3  LEU 101           HB3      LEU 101  27.567   0.898   2.124
  743    HG   LEU 101           HG       LEU 101  25.837   1.615   0.440
  744   HD11  LEU 101          HD11      LEU 101  27.480   2.530  -1.119
  745   HD12  LEU 101          HD12      LEU 101  28.166   2.538   0.513
  746   HD13  LEU 101          HD13      LEU 101  28.678   1.306  -0.661
  747   HD21  LEU 101          HD21      LEU 101  25.943   0.707  -1.830
  748   HD22  LEU 101          HD22      LEU 101  27.096  -0.536  -1.338
  749   HD23  LEU 101          HD23      LEU 101  25.441  -0.551  -0.687
  750    H    GLU 102           H        GLU 102  30.637  -0.611   1.549
  751    HA   GLU 102           HA       GLU 102  32.177  -0.669   3.135
  752    HB2  GLU 102           HB2      GLU 102  30.188   1.244   3.662
  753    HB3  GLU 102           HB3      GLU 102  30.528   0.558   5.229
  754    HG2  GLU 102           HG2      GLU 102  32.550   1.697   3.247
  755    HG3  GLU 102           HG3      GLU 102  31.947   2.530   4.675
  756    H    ASP 103           H        ASP 103  31.949  -0.757   5.953
  757    HA   ASP 103           HA       ASP 103  31.090  -3.358   6.885
  758    HB2  ASP 103           HB2      ASP 103  32.961  -4.104   5.497
  759    HB3  ASP 103           HB3      ASP 103  34.009  -2.861   6.183
  760    HA   PRO 104           HA       PRO 104  31.975   0.251   9.584
  761    HB2  PRO 104           HB2      PRO 104  29.582   0.612  10.873
  762    HB3  PRO 104           HB3      PRO 104  29.964   1.226   9.241
  763    HG2  PRO 104           HG2      PRO 104  28.419  -1.255  10.004
  764    HG3  PRO 104           HG3      PRO 104  28.071  -0.072   8.711
  765    HD2  PRO 104           HD2      PRO 104  29.380  -2.539   8.327
  766    HD3  PRO 104           HD3      PRO 104  29.566  -1.103   7.250
  767    H    ASP 105           H        ASP 105  31.481  -3.004  10.341
  768    HA   ASP 105           HA       ASP 105  30.893  -3.099  13.072
  769    HB2  ASP 105           HB2      ASP 105  30.905  -5.000  11.551
  770    HB3  ASP 105           HB3      ASP 105  32.675  -4.933  11.467
  771    H    GLY 106           H        GLY 106  34.000  -2.557  11.486
  772    HA2  GLY 106           HA2      GLY 106  35.385  -2.302  14.134
  773    HA3  GLY 106           HA3      GLY 106  36.112  -2.969  12.671
  774    H    GLN 107           H        GLN 107  34.084  -0.003  13.008
  775    HA   GLN 107           HA       GLN 107  36.373   1.609  11.943
  776    HB2  GLN 107           HB2      GLN 107  33.385   2.017  11.503
  777    HB3  GLN 107           HB3      GLN 107  34.677   2.986  10.815
  778    HG2  GLN 107           HG2      GLN 107  34.336   0.081  10.148
  779    HG3  GLN 107           HG3      GLN 107  33.624   1.463   9.296
  780   HE21  GLN 107          HE22      GLN 107  34.595   1.171   7.333
  781   HE22  GLN 107          HE21      GLN 107  36.301   1.521   7.091
  782    H    SER 108           H        SER 108  34.863   3.974  12.130
  783    HA   SER 108           HA       SER 108  34.772   4.673  14.976
  784    HB2  SER 108           HB2      SER 108  36.192   6.363  12.865
  785    HB3  SER 108           HB3      SER 108  36.151   6.644  14.604
  786    HG   SER 108           HG       SER 108  38.144   5.688  13.919
  787    H    LEU 109           H        LEU 109  33.856   7.066  15.008
  788    HA   LEU 109           HA       LEU 109  31.203   6.870  14.179
  789    HB2  LEU 109           HB2      LEU 109  32.733   9.475  14.649
  790    HB3  LEU 109           HB3      LEU 109  30.989   9.284  14.650
  791    HG   LEU 109           HG       LEU 109  32.965   8.308  16.732
  792   HD11  LEU 109          HD11      LEU 109  31.616   9.774  18.213
  793   HD12  LEU 109          HD12      LEU 109  32.297  10.675  16.849
  794   HD13  LEU 109          HD13      LEU 109  30.584  10.226  16.839
  795   HD21  LEU 109          HD21      LEU 109  30.986   7.420  17.978
  796   HD22  LEU 109          HD22      LEU 109  29.995   7.664  16.520
  797   HD23  LEU 109          HD23      LEU 109  31.347   6.509  16.509
  798    H    GLU 110           H        GLU 110  33.933   8.328  12.475
  799    HA   GLU 110           HA       GLU 110  32.460   9.869  10.606
  800    HB2  GLU 110           HB2      GLU 110  35.178   8.490  10.326
  801    HB3  GLU 110           HB3      GLU 110  34.544   9.737   9.226
  802    HG2  GLU 110           HG2      GLU 110  34.288  11.248  11.213
  803    HG3  GLU 110           HG3      GLU 110  35.123  10.025  12.188
  804    H    VAL 111           H        VAL 111  33.429   6.371  10.516
  805    HA   VAL 111           HA       VAL 111  32.389   6.255   7.842
  806    HB   VAL 111           HB       VAL 111  33.025   3.870   9.595
  807   HG11  VAL 111          HG11      VAL 111  32.834   4.392   6.596
  808   HG12  VAL 111          HG12      VAL 111  33.676   2.997   7.253
  809   HG13  VAL 111          HG13      VAL 111  31.960   3.193   7.590
  810   HG21  VAL 111          HG21      VAL 111  34.915   5.602   7.904
  811   HG22  VAL 111          HG22      VAL 111  35.043   5.311   9.652
  812   HG23  VAL 111          HG23      VAL 111  35.338   3.999   8.518
  813    H    PHE 112           H        PHE 112  31.157   5.382  11.125
  814    HA   PHE 112           HA       PHE 112  28.647   4.423  10.249
  815    HB2  PHE 112           HB2      PHE 112  29.360   6.040  12.747
  816    HB3  PHE 112           HB3      PHE 112  27.735   5.511  12.394
  817    HD1  PHE 112           HD1      PHE 112  31.158   4.178  13.052
  818    HD2  PHE 112           HD2      PHE 112  26.931   3.375  12.822
  819    HE1  PHE 112           HE1      PHE 112  31.538   1.938  14.036
  820    HE2  PHE 112           HE2      PHE 112  27.329   1.104  13.776
  821    HZ   PHE 112           HZ       PHE 112  29.626   0.405  14.405
  822    H    ARG 113           H        ARG 113  29.661   7.897  10.580
  823    HA   ARG 113           HA       ARG 113  27.158   9.015   9.666
  824    HB2  ARG 113           HB2      ARG 113  29.983  10.123   9.226
  825    HB3  ARG 113           HB3      ARG 113  28.494  11.020   9.008
  826    HG2  ARG 113           HG2      ARG 113  27.995  10.859  11.428
  827    HG3  ARG 113           HG3      ARG 113  29.460   9.904  11.659
  828    HD2  ARG 113           HD2      ARG 113  30.188  11.984  12.302
  829    HD3  ARG 113           HD3      ARG 113  30.757  11.881  10.646
  830    HE   ARG 113           HE       ARG 113  29.261  13.524   9.982
  831   HH11  ARG 113          HH11      ARG 113  28.609  12.696  13.390
  832   HH12  ARG 113          HH12      ARG 113  27.720  14.155  13.712
  833   HH21  ARG 113          HH21      ARG 113  28.065  15.459  10.441
  834   HH22  ARG 113          HH22      ARG 113  27.395  15.710  12.014
  835    H    THR 114           H        THR 114  30.086   7.975   7.900
  836    HA   THR 114           HA       THR 114  29.194   9.050   5.421
  837    HB   THR 114           HB       THR 114  31.286   6.923   6.056
  838    HG1  THR 114           HG1      THR 114  31.804   8.846   7.036
  839   HG21  THR 114          HG21      THR 114  30.810   6.782   3.698
  840   HG22  THR 114          HG22      THR 114  30.851   8.551   3.516
  841   HG23  THR 114          HG23      THR 114  32.339   7.648   3.893
  842    H    VAL 115           H        VAL 115  28.944   5.780   6.859
  843    HA   VAL 115           HA       VAL 115  28.189   4.444   4.412
  844    HB   VAL 115           HB       VAL 115  27.908   3.718   7.366
  845   HG11  VAL 115          HG11      VAL 115  27.504   1.378   6.589
  846   HG12  VAL 115          HG12      VAL 115  26.150   2.442   6.185
  847   HG13  VAL 115          HG13      VAL 115  27.312   1.963   4.923
  848   HG21  VAL 115          HG21      VAL 115  29.780   2.193   6.770
  849   HG22  VAL 115          HG22      VAL 115  29.678   2.799   5.084
  850   HG23  VAL 115          HG23      VAL 115  30.206   3.866   6.353
  851    H    ARG 116           H        ARG 116  26.374   5.655   7.235
  852    HA   ARG 116           HA       ARG 116  23.734   5.480   6.445
  853    HB2  ARG 116           HB2      ARG 116  24.462   6.266   8.582
  854    HB3  ARG 116           HB3      ARG 116  25.475   7.498   7.877
  855    HG2  ARG 116           HG2      ARG 116  23.199   8.610   7.118
  856    HG3  ARG 116           HG3      ARG 116  22.544   7.543   8.392
  857    HD2  ARG 116           HD2      ARG 116  23.033   9.455   9.552
  858    HD3  ARG 116           HD3      ARG 116  24.519   8.457   9.809
  859    HE   ARG 116           HE       ARG 116  25.193   9.878   7.600
  860   HH11  ARG 116          HH11      ARG 116  24.103  10.964  10.847
  861   HH12  ARG 116          HH12      ARG 116  24.853  12.515  10.676
  862   HH21  ARG 116          HH21      ARG 116  26.089  11.957   7.402
  863   HH22  ARG 116          HH22      ARG 116  25.960  13.098   8.683
  864    H    GLY 117           H        GLY 117  26.023   8.136   5.409
  865    HA2  GLY 117           HA2      GLY 117  24.230   9.553   3.755
  866    HA3  GLY 117           HA3      GLY 117  25.979   9.484   3.578
  867    H    GLN 118           H        GLN 118  26.419   6.825   2.949
  868    HA   GLN 118           HA       GLN 118  25.775   6.914   0.161
  869    HB2  GLN 118           HB2      GLN 118  27.161   4.787   1.838
  870    HB3  GLN 118           HB3      GLN 118  27.184   4.886   0.059
  871    HG2  GLN 118           HG2      GLN 118  28.148   7.156   0.190
  872    HG3  GLN 118           HG3      GLN 118  28.129   7.115   1.927
  873   HE21  GLN 118          HE22      GLN 118  30.477   7.321  -0.041
  874   HE22  GLN 118          HE21      GLN 118  31.568   6.060   0.478
  875    H    VAL 119           H        VAL 119  24.537   5.184   2.928
  876    HA   VAL 119           HA       VAL 119  22.836   3.322   1.525
  877    HB   VAL 119           HB       VAL 119  22.789   4.521   4.331
  878   HG11  VAL 119          HG11      VAL 119  21.109   2.830   4.925
  879   HG12  VAL 119          HG12      VAL 119  20.473   4.044   3.801
  880   HG13  VAL 119          HG13      VAL 119  20.910   2.428   3.196
  881   HG21  VAL 119          HG21      VAL 119  23.471   2.272   5.029
  882   HG22  VAL 119          HG22      VAL 119  23.273   1.647   3.377
  883   HG23  VAL 119          HG23      VAL 119  24.584   2.774   3.742
  884    H    LYS 120           H        LYS 120  22.541   6.785   2.643
  885    HA   LYS 120           HA       LYS 120  19.804   7.080   2.057
  886    HB2  LYS 120           HB2      LYS 120  21.964   9.159   1.443
  887    HB3  LYS 120           HB3      LYS 120  20.268   9.455   1.534
  888    HG2  LYS 120           HG2      LYS 120  20.885   8.177   3.967
  889    HG3  LYS 120           HG3      LYS 120  22.314   9.118   3.605
  890    HD2  LYS 120           HD2      LYS 120  20.639  10.389   4.988
  891    HD3  LYS 120           HD3      LYS 120  20.953  11.177   3.436
  892    HE2  LYS 120           HE2      LYS 120  18.767  10.181   2.523
  893    HE3  LYS 120           HE3      LYS 120  18.497   9.449   4.092
  894    HZ1  LYS 120           HZ1      LYS 120  17.329  11.592   3.904
  895    HZ2  LYS 120           HZ2      LYS 120  18.476  11.740   5.062
  896    HZ3  LYS 120           HZ3      LYS 120  18.712  12.390   3.580
  897    H    GLU 121           H        GLU 121  22.612   7.557  -0.120
  898    HA   GLU 121           HA       GLU 121  20.997   8.308  -2.328
  899    HB2  GLU 121           HB2      GLU 121  23.706   6.866  -2.334
  900    HB3  GLU 121           HB3      GLU 121  22.972   7.649  -3.740
  901    HG2  GLU 121           HG2      GLU 121  23.020   9.832  -2.541
  902    HG3  GLU 121           HG3      GLU 121  23.811   9.056  -1.168
  903    H    ARG 122           H        ARG 122  21.981   5.088  -1.161
  904    HA   ARG 122           HA       ARG 122  20.906   3.576  -3.381
  905    HB2  ARG 122           HB2      ARG 122  21.565   2.858  -0.506
  906    HB3  ARG 122           HB3      ARG 122  21.054   1.715  -1.734
  907    HG2  ARG 122           HG2      ARG 122  23.269   3.481  -2.649
  908    HG3  ARG 122           HG3      ARG 122  23.675   2.522  -1.238
  909    HD2  ARG 122           HD2      ARG 122  24.243   1.493  -3.457
  910    HD3  ARG 122           HD3      ARG 122  23.346   0.499  -2.318
  911    HE   ARG 122           HE       ARG 122  21.547   0.391  -3.723
  912   HH11  ARG 122          HH11      ARG 122  23.690   2.895  -5.078
  913   HH12  ARG 122          HH12      ARG 122  23.042   2.770  -6.667
  914   HH21  ARG 122          HH21      ARG 122  20.766   0.127  -5.870
  915   HH22  ARG 122          HH22      ARG 122  21.311   1.212  -7.105
  916    H    VAL 123           H        VAL 123  19.586   4.367  -0.111
  917    HA   VAL 123           HA       VAL 123  17.065   3.200  -0.380
  918    HB   VAL 123           HB       VAL 123  18.070   5.613   1.155
  919   HG11  VAL 123          HG11      VAL 123  15.390   4.261   1.386
  920   HG12  VAL 123          HG12      VAL 123  16.065   5.422   2.559
  921   HG13  VAL 123          HG13      VAL 123  15.702   5.950   0.922
  922   HG21  VAL 123          HG21      VAL 123  17.260   2.865   2.202
  923   HG22  VAL 123          HG22      VAL 123  18.943   3.324   1.849
  924   HG23  VAL 123          HG23      VAL 123  18.040   4.180   3.095
  925    H    GLU 124           H        GLU 124  18.114   6.516  -1.137
  926    HA   GLU 124           HA       GLU 124  15.554   7.339  -1.868
  927    HB2  GLU 124           HB2      GLU 124  17.127   8.763  -1.052
  928    HB3  GLU 124           HB3      GLU 124  18.254   8.504  -2.433
  929    HG2  GLU 124           HG2      GLU 124  16.643   9.486  -3.950
  930    HG3  GLU 124           HG3      GLU 124  15.413   9.565  -2.662
  931    H    ASN 125           H        ASN 125  18.265   5.937  -3.732
  932    HA   ASN 125           HA       ASN 125  17.161   6.223  -6.347
  933    HB2  ASN 125           HB2      ASN 125  19.238   4.446  -5.108
  934    HB3  ASN 125           HB3      ASN 125  18.492   3.869  -6.582
  935   HD21  ASN 125          HD22      ASN 125  20.300   6.611  -5.235
  936   HD22  ASN 125          HD21      ASN 125  20.919   7.205  -6.778
  937    H    LEU 126           H        LEU 126  16.932   3.582  -3.937
  938    HA   LEU 126           HA       LEU 126  15.289   1.844  -5.493
  939    HB2  LEU 126           HB2      LEU 126  16.072   0.737  -3.785
  940    HB3  LEU 126           HB3      LEU 126  16.162   2.124  -2.702
  941    HG   LEU 126           HG       LEU 126  13.430   1.049  -3.115
  942   HD11  LEU 126          HD11      LEU 126  13.895  -0.821  -1.505
  943   HD12  LEU 126          HD12      LEU 126  14.629  -1.014  -3.115
  944   HD13  LEU 126          HD13      LEU 126  15.624  -0.498  -1.730
  945   HD21  LEU 126          HD21      LEU 126  14.008   2.835  -1.435
  946   HD22  LEU 126          HD22      LEU 126  13.179   1.425  -0.768
  947   HD23  LEU 126          HD23      LEU 126  14.929   1.623  -0.536
  948    H    ILE 127           H        ILE 127  14.458   4.444  -3.276
  949    HA   ILE 127           HA       ILE 127  11.598   4.310  -3.489
  950    HB   ILE 127           HB       ILE 127  13.718   6.256  -2.647
  951   HG12  ILE 127          HG12      ILE 127  11.213   5.562  -1.102
  952   HG13  ILE 127          HG13      ILE 127  12.287   4.202  -1.444
  953   HG21  ILE 127          HG21      ILE 127  10.869   7.162  -3.031
  954   HG22  ILE 127          HG22      ILE 127  12.038   7.932  -1.936
  955   HG23  ILE 127          HG23      ILE 127  12.362   7.878  -3.671
  956   HD11  ILE 127          HD11      ILE 127  12.584   5.791   0.689
  957   HD12  ILE 127          HD12      ILE 127  13.896   4.908  -0.117
  958   HD13  ILE 127          HD13      ILE 127  13.713   6.640  -0.443
  959    H    ALA 128           H        ALA 128  14.060   6.120  -5.449
  960    HA   ALA 128           HA       ALA 128  12.186   7.483  -7.027
  961    HB1  ALA 128           HB1      ALA 128  14.017   7.875  -8.584
  962    HB2  ALA 128           HB2      ALA 128  14.611   8.026  -6.919
  963    HB3  ALA 128           HB3      ALA 128  14.969   6.563  -7.871
  964    H    LYS 129           H        LYS 129  13.300   4.103  -7.295
  965    HA   LYS 129           HA       LYS 129  12.134   3.695  -9.885
  966    HB2  LYS 129           HB2      LYS 129  12.763   1.664  -7.710
  967    HB3  LYS 129           HB3      LYS 129  12.455   1.301  -9.404
  968    HG2  LYS 129           HG2      LYS 129  14.492   2.450 -10.098
  969    HG3  LYS 129           HG3      LYS 129  14.776   3.023  -8.443
  970    HD2  LYS 129           HD2      LYS 129  14.897   0.700  -7.643
  971    HD3  LYS 129           HD3      LYS 129  14.796   0.145  -9.348
  972    HE2  LYS 129           HE2      LYS 129  16.776   1.753  -9.779
  973    HE3  LYS 129           HE3      LYS 129  16.947   1.835  -8.013
  974    HZ1  LYS 129           HZ1      LYS 129  17.418  -0.552  -7.983
  975    HZ2  LYS 129           HZ2      LYS 129  17.131  -0.679  -9.609
  976    HZ3  LYS 129           HZ3      LYS 129  18.411   0.163  -9.059
  977    H    ILE 130           H        ILE 130  10.973   3.177  -6.521
  978    HA   ILE 130           HA       ILE 130   8.542   1.983  -7.553
  979    HB   ILE 130           HB       ILE 130   8.235   1.356  -5.165
  980   HG12  ILE 130          HG12      ILE 130  10.754   2.786  -4.689
  981   HG13  ILE 130          HG13      ILE 130   9.276   2.767  -3.776
  982   HG21  ILE 130          HG21      ILE 130   9.643  -0.533  -5.411
  983   HG22  ILE 130          HG22      ILE 130   9.246  -0.035  -7.035
  984   HG23  ILE 130          HG23      ILE 130  10.847   0.376  -6.364
  985   HD11  ILE 130          HD11      ILE 130  11.362   0.549  -3.925
  986   HD12  ILE 130          HD12      ILE 130  10.960   1.563  -2.527
  987   HD13  ILE 130          HD13      ILE 130   9.792   0.357  -3.124
  988    H    SER 131           H        SER 131   9.276   4.851  -5.532
  989    HA   SER 131           HA       SER 131   6.601   5.086  -4.640
  990    HB2  SER 131           HB2      SER 131   8.841   7.137  -4.713
  991    HB3  SER 131           HB3      SER 131   7.324   7.270  -3.797
  992    HG   SER 131           HG       SER 131   8.914   6.379  -2.427
  Start of MODEL   19
    1    H    MET   1           H        MET   1   1.570  -1.802   2.831
    2    HA   MET   1           HA       MET   1   1.231  -0.644   0.147
    3    HB2  MET   1           HB2      MET   1   1.279   0.863   2.346
    4    HB3  MET   1           HB3      MET   1   3.013   0.570   2.296
    5    HG2  MET   1           HG2      MET   1   2.375   2.672   1.208
    6    HG3  MET   1           HG3      MET   1   3.098   1.570   0.042
    7    HE1  MET   1           HE1      MET   1   1.428   4.257  -0.672
    8    HE2  MET   1           HE2      MET   1   2.221   3.221  -1.885
    9    HE3  MET   1           HE3      MET   1   0.518   3.675  -2.085
   10    H    LYS   2           H        LYS   2   3.582  -0.312  -0.975
   11    HA   LYS   2           HA       LYS   2   4.498  -2.908  -1.383
   12    HB2  LYS   2           HB2      LYS   2   6.284  -0.498  -1.924
   13    HB3  LYS   2           HB3      LYS   2   6.363  -2.086  -2.643
   14    HG2  LYS   2           HG2      LYS   2   5.307  -1.019  -4.331
   15    HG3  LYS   2           HG3      LYS   2   3.921  -1.606  -3.418
   16    HD2  LYS   2           HD2      LYS   2   3.281   0.629  -3.725
   17    HD3  LYS   2           HD3      LYS   2   4.108   0.777  -2.189
   18    HE2  LYS   2           HE2      LYS   2   5.192   2.494  -3.127
   19    HE3  LYS   2           HE3      LYS   2   6.248   1.254  -3.833
   20    HZ1  LYS   2           HZ1      LYS   2   5.382   2.785  -5.546
   21    HZ2  LYS   2           HZ2      LYS   2   4.788   1.280  -5.840
   22    HZ3  LYS   2           HZ3      LYS   2   3.841   2.432  -5.166
   23    H    LYS   3           H        LYS   3   5.729  -4.275  -0.257
   24    HA   LYS   3           HA       LYS   3   6.902  -3.275   2.264
   25    HB2  LYS   3           HB2      LYS   3   6.310  -5.984   1.066
   26    HB3  LYS   3           HB3      LYS   3   7.068  -5.763   2.674
   27    HG2  LYS   3           HG2      LYS   3   4.979  -4.457   3.303
   28    HG3  LYS   3           HG3      LYS   3   4.326  -4.875   1.708
   29    HD2  LYS   3           HD2      LYS   3   3.379  -6.303   3.393
   30    HD3  LYS   3           HD3      LYS   3   4.348  -7.234   2.249
   31    HE2  LYS   3           HE2      LYS   3   6.187  -7.415   3.865
   32    HE3  LYS   3           HE3      LYS   3   5.387  -6.274   4.967
   33    HZ1  LYS   3           HZ1      LYS   3   4.440  -9.020   4.301
   34    HZ2  LYS   3           HZ2      LYS   3   5.065  -8.522   5.717
   35    HZ3  LYS   3           HZ3      LYS   3   3.612  -7.952   5.243
   36    H    VAL   4           H        VAL   4   8.998  -3.072   2.654
   37    HA   VAL   4           HA       VAL   4  10.880  -4.068   0.607
   38    HB   VAL   4           HB       VAL   4  11.297  -1.563   2.211
   39   HG11  VAL   4          HG11      VAL   4  12.683  -2.808  -0.196
   40   HG12  VAL   4          HG12      VAL   4  12.914  -1.099   0.277
   41   HG13  VAL   4          HG13      VAL   4  13.384  -2.411   1.352
   42   HG21  VAL   4          HG21      VAL   4  10.765  -0.295   0.056
   43   HG22  VAL   4          HG22      VAL   4  10.070  -1.800  -0.578
   44   HG23  VAL   4          HG23      VAL   4   9.362  -1.035   0.845
   45    H    MET   5           H        MET   5  13.047  -4.624   1.416
   46    HA   MET   5           HA       MET   5  13.137  -5.192   4.339
   47    HB2  MET   5           HB2      MET   5  12.172  -7.141   3.126
   48    HB3  MET   5           HB3      MET   5  13.587  -7.139   2.056
   49    HG2  MET   5           HG2      MET   5  13.794  -8.874   3.766
   50    HG3  MET   5           HG3      MET   5  15.059  -7.659   3.933
   51    HE1  MET   5           HE1      MET   5  11.263  -8.065   5.205
   52    HE2  MET   5           HE2      MET   5  12.158  -9.574   5.487
   53    HE3  MET   5           HE3      MET   5  11.621  -8.591   6.861
   54    H    PHE   6           H        PHE   6  15.133  -4.682   5.088
   55    HA   PHE   6           HA       PHE   6  17.297  -4.287   3.117
   56    HB2  PHE   6           HB2      PHE   6  16.791  -2.881   5.741
   57    HB3  PHE   6           HB3      PHE   6  18.241  -2.683   4.746
   58    HD1  PHE   6           HD1      PHE   6  14.595  -2.082   4.924
   59    HD2  PHE   6           HD2      PHE   6  18.168  -1.472   2.594
   60    HE1  PHE   6           HE1      PHE   6  13.320  -0.735   3.335
   61    HE2  PHE   6           HE2      PHE   6  16.907   0.048   1.102
   62    HZ   PHE   6           HZ       PHE   6  14.489   0.461   1.474
   63    H    VAL   7           H        VAL   7  18.757  -6.051   3.286
   64    HA   VAL   7           HA       VAL   7  18.603  -7.697   5.768
   65    HB   VAL   7           HB       VAL   7  20.020  -8.503   3.218
   66   HG11  VAL   7          HG11      VAL   7  19.495 -10.764   3.925
   67   HG12  VAL   7          HG12      VAL   7  20.441  -9.920   5.143
   68   HG13  VAL   7          HG13      VAL   7  18.698 -10.150   5.388
   69   HG21  VAL   7          HG21      VAL   7  17.055  -8.897   3.827
   70   HG22  VAL   7          HG22      VAL   7  17.694  -7.902   2.498
   71   HG23  VAL   7          HG23      VAL   7  17.942  -9.649   2.487
   72    H    CYS   8           H        CYS   8  20.474  -8.163   7.021
   73    HA   CYS   8           HA       CYS   8  23.059  -7.012   6.100
   74    HB2  CYS   8           HB2      CYS   8  21.752  -5.708   8.041
   75    HB3  CYS   8           HB3      CYS   8  22.347  -7.016   9.046
   76    HG   CYS   8           HG       CYS   8  24.034  -5.059   9.374
   77    H    LYS   9           H        LYS   9  24.702  -7.908   7.915
   78    HA   LYS   9           HA       LYS   9  24.345 -10.692   8.625
   79    HB2  LYS   9           HB2      LYS   9  24.925 -10.971   6.234
   80    HB3  LYS   9           HB3      LYS   9  26.352  -9.961   6.428
   81    HG2  LYS   9           HG2      LYS   9  26.982 -12.287   6.319
   82    HG3  LYS   9           HG3      LYS   9  27.376 -11.655   7.917
   83    HD2  LYS   9           HD2      LYS   9  25.361 -12.760   8.856
   84    HD3  LYS   9           HD3      LYS   9  24.909 -13.331   7.228
   85    HE2  LYS   9           HE2      LYS   9  27.053 -14.598   7.100
   86    HE3  LYS   9           HE3      LYS   9  27.490 -14.028   8.716
   87    HZ1  LYS   9           HZ1      LYS   9  26.547 -16.248   8.792
   88    HZ2  LYS   9           HZ2      LYS   9  25.551 -15.230   9.584
   89    HZ3  LYS   9           HZ3      LYS   9  25.161 -15.768   8.081
   90    H    ARG  10           H        ARG  10  26.728  -8.053   8.015
   91    HA   ARG  10           HA       ARG  10  28.215  -8.539  10.469
   92    HB2  ARG  10           HB2      ARG  10  28.421  -6.858   8.087
   93    HB3  ARG  10           HB3      ARG  10  28.484  -5.776   9.444
   94    HG2  ARG  10           HG2      ARG  10  30.238  -8.256   9.182
   95    HG3  ARG  10           HG3      ARG  10  30.679  -6.696   8.506
   96    HD2  ARG  10           HD2      ARG  10  31.177  -5.737  10.579
   97    HD3  ARG  10           HD3      ARG  10  29.995  -6.702  11.426
   98    HE   ARG  10           HE       ARG  10  31.434  -8.441  11.713
   99   HH11  ARG  10          HH11      ARG  10  33.042  -6.042   9.592
  100   HH12  ARG  10          HH12      ARG  10  34.623  -6.678   9.896
  101   HH21  ARG  10          HH21      ARG  10  33.540  -9.282  12.053
  102   HH22  ARG  10          HH22      ARG  10  34.908  -8.559  11.292
  103    H    ASN  11           H        ASN  11  28.346  -6.007  11.650
  104    HA   ASN  11           HA       ASN  11  26.361  -6.132  13.561
  105    HB2  ASN  11           HB2      ASN  11  28.552  -4.808  13.579
  106    HB3  ASN  11           HB3      ASN  11  27.654  -3.513  12.773
  107   HD21  ASN  11          HD22      ASN  11  28.704  -2.810  15.096
  108   HD22  ASN  11          HD21      ASN  11  27.534  -2.791  16.406
  109    H    SER  12           H        SER  12  24.376  -5.058  13.912
  110    HA   SER  12           HA       SER  12  22.655  -5.234  11.705
  111    HB2  SER  12           HB2      SER  12  21.068  -4.108  13.479
  112    HB3  SER  12           HB3      SER  12  21.782  -5.708  13.793
  113    HG   SER  12           HG       SER  12  22.310  -4.767  15.603
  114    H    CYS  13           H        CYS  13  24.429  -2.517  12.842
  115    HA   CYS  13           HA       CYS  13  23.057  -0.310  12.450
  116    HB2  CYS  13           HB2      CYS  13  25.902  -0.613  11.368
  117    HB3  CYS  13           HB3      CYS  13  25.181   0.819  12.116
  118    HG   CYS  13           HG       CYS  13  27.061  -0.451  13.603
  119    H    ARG  14           H        ARG  14  24.958  -1.513   9.523
  120    HA   ARG  14           HA       ARG  14  23.978   0.682   8.046
  121    HB2  ARG  14           HB2      ARG  14  24.946  -0.235   6.071
  122    HB3  ARG  14           HB3      ARG  14  26.016  -0.454   7.442
  123    HG2  ARG  14           HG2      ARG  14  25.323  -2.874   7.560
  124    HG3  ARG  14           HG3      ARG  14  24.332  -2.622   6.111
  125    HD2  ARG  14           HD2      ARG  14  26.404  -1.890   4.876
  126    HD3  ARG  14           HD3      ARG  14  27.357  -2.237   6.327
  127    HE   ARG  14           HE       ARG  14  25.731  -4.505   5.455
  128   HH11  ARG  14          HH11      ARG  14  28.737  -2.795   4.690
  129   HH12  ARG  14          HH12      ARG  14  29.625  -4.222   4.289
  130   HH21  ARG  14          HH21      ARG  14  26.808  -6.340   4.573
  131   HH22  ARG  14          HH22      ARG  14  28.529  -6.319   4.321
  132    H    SER  15           H        SER  15  22.546  -2.638   7.873
  133    HA   SER  15           HA       SER  15  20.686  -1.568   5.955
  134    HB2  SER  15           HB2      SER  15  20.296  -4.240   7.205
  135    HB3  SER  15           HB3      SER  15  20.170  -3.707   5.501
  136    HG   SER  15           HG       SER  15  22.050  -4.842   5.643
  137    H    GLN  16           H        GLN  16  20.495  -2.184   9.501
  138    HA   GLN  16           HA       GLN  16  17.637  -1.636   9.558
  139    HB2  GLN  16           HB2      GLN  16  18.765  -2.903  11.303
  140    HB3  GLN  16           HB3      GLN  16  19.724  -1.479  11.771
  141    HG2  GLN  16           HG2      GLN  16  17.650  -0.293  12.398
  142    HG3  GLN  16           HG3      GLN  16  16.682  -1.651  11.826
  143   HE21  GLN  16          HE22      GLN  16  16.080  -3.132  13.300
  144   HE22  GLN  16          HE21      GLN  16  16.839  -3.422  14.838
  145    H    MET  17           H        MET  17  20.600   0.378   9.509
  146    HA   MET  17           HA       MET  17  19.206   2.855   9.941
  147    HB2  MET  17           HB2      MET  17  21.805   2.319   9.847
  148    HB3  MET  17           HB3      MET  17  21.604   2.660   8.107
  149    HG2  MET  17           HG2      MET  17  20.964   4.369  10.541
  150    HG3  MET  17           HG3      MET  17  22.321   4.586   9.440
  151    HE1  MET  17           HE1      MET  17  18.303   4.854   9.726
  152    HE2  MET  17           HE2      MET  17  18.977   6.387  10.395
  153    HE3  MET  17           HE3      MET  17  18.119   6.405   8.862
  154    H    ALA  18           H        ALA  18  20.034   0.975   6.984
  155    HA   ALA  18           HA       ALA  18  18.901   2.792   5.187
  156    HB1  ALA  18           HB1      ALA  18  18.918   0.946   3.615
  157    HB2  ALA  18           HB2      ALA  18  20.319   0.743   4.715
  158    HB3  ALA  18           HB3      ALA  18  18.858  -0.246   4.932
  159    H    GLU  19           H        GLU  19  17.301   0.137   7.020
  160    HA   GLU  19           HA       GLU  19  14.660   0.658   6.194
  161    HB2  GLU  19           HB2      GLU  19  15.331  -1.302   7.480
  162    HB3  GLU  19           HB3      GLU  19  15.763  -0.275   8.849
  163    HG2  GLU  19           HG2      GLU  19  13.354   0.430   9.020
  164    HG3  GLU  19           HG3      GLU  19  12.979  -0.731   7.744
  165    H    GLY  20           H        GLY  20  16.670   2.462   8.670
  166    HA2  GLY  20           HA2      GLY  20  14.405   3.879   9.745
  167    HA3  GLY  20           HA3      GLY  20  16.122   4.246   9.970
  168    H    PHE  21           H        PHE  21  16.971   4.725   7.292
  169    HA   PHE  21           HA       PHE  21  15.791   7.333   6.705
  170    HB2  PHE  21           HB2      PHE  21  17.674   5.477   5.229
  171    HB3  PHE  21           HB3      PHE  21  16.959   6.856   4.408
  172    HD1  PHE  21           HD2      PHE  21  17.064   9.140   6.106
  173    HD2  PHE  21           HD1      PHE  21  19.942   5.940   5.683
  174    HE1  PHE  21           HE2      PHE  21  18.876  10.642   6.846
  175    HE2  PHE  21           HE1      PHE  21  21.711   7.424   6.377
  176    HZ   PHE  21           HZ       PHE  21  21.212   9.815   7.002
  177    H    ALA  22           H        ALA  22  15.232   3.968   5.487
  178    HA   ALA  22           HA       ALA  22  13.570   4.906   3.358
  179    HB1  ALA  22           HB1      ALA  22  13.867   2.179   4.643
  180    HB2  ALA  22           HB2      ALA  22  12.945   2.490   3.143
  181    HB3  ALA  22           HB3      ALA  22  14.700   2.769   3.205
  182    H    LYS  23           H        LYS  23  12.669   3.759   6.697
  183    HA   LYS  23           HA       LYS  23   9.874   4.074   6.192
  184    HB2  LYS  23           HB2      LYS  23   9.524   3.749   8.487
  185    HB3  LYS  23           HB3      LYS  23  10.982   2.816   8.119
  186    HG2  LYS  23           HG2      LYS  23  12.338   4.739   8.975
  187    HG3  LYS  23           HG3      LYS  23  10.848   5.581   9.423
  188    HD2  LYS  23           HD2      LYS  23  10.331   3.688  10.996
  189    HD3  LYS  23           HD3      LYS  23  11.933   2.999  10.601
  190    HE2  LYS  23           HE2      LYS  23  12.958   5.248  11.229
  191    HE3  LYS  23           HE3      LYS  23  11.361   5.784  11.767
  192    HZ1  LYS  23           HZ1      LYS  23  11.408   4.052  13.466
  193    HZ2  LYS  23           HZ2      LYS  23  12.876   3.496  12.901
  194    HZ3  LYS  23           HZ3      LYS  23  12.786   4.960  13.586
  195    H    THR  24           H        THR  24  12.373   6.362   7.105
  196    HA   THR  24           HA       THR  24  10.742   8.601   7.768
  197    HB   THR  24           HB       THR  24  13.595   7.949   7.050
  198    HG1  THR  24           HG1      THR  24  13.363   7.557   9.066
  199   HG21  THR  24          HG21      THR  24  12.781  10.799   7.538
  200   HG22  THR  24          HG22      THR  24  14.439  10.118   7.504
  201   HG23  THR  24          HG23      THR  24  13.448  10.085   6.036
  202    H    LEU  25           H        LEU  25  12.508   7.693   4.797
  203    HA   LEU  25           HA       LEU  25  11.562  10.012   3.380
  204    HB2  LEU  25           HB2      LEU  25  13.350   7.687   2.738
  205    HB3  LEU  25           HB3      LEU  25  12.975   8.941   1.537
  206    HG   LEU  25           HG       LEU  25  14.336   9.396   4.198
  207   HD11  LEU  25          HD11      LEU  25  15.756   8.103   2.619
  208   HD12  LEU  25          HD12      LEU  25  15.447   9.322   1.362
  209   HD13  LEU  25          HD13      LEU  25  16.384   9.737   2.816
  210   HD21  LEU  25          HD21      LEU  25  14.898  11.642   3.256
  211   HD22  LEU  25          HD22      LEU  25  13.862  11.289   1.853
  212   HD23  LEU  25          HD23      LEU  25  13.166  11.434   3.483
  213    H    GLY  26           H        GLY  26  10.745   6.600   3.491
  214    HA2  GLY  26           HA2      GLY  26   9.105   6.633   1.032
  215    HA3  GLY  26           HA3      GLY  26   9.644   5.241   2.011
  216    H    ALA  27           H        ALA  27   8.444   7.874   3.835
  217    HA   ALA  27           HA       ALA  27   6.598   6.260   5.198
  218    HB1  ALA  27           HB1      ALA  27   7.763   8.274   6.157
  219    HB2  ALA  27           HB2      ALA  27   6.779   9.318   5.124
  220    HB3  ALA  27           HB3      ALA  27   6.006   8.341   6.392
  221    H    GLY  28           H        GLY  28   4.629   5.595   4.664
  222    HA2  GLY  28           HA2      GLY  28   2.451   5.680   3.929
  223    HA3  GLY  28           HA3      GLY  28   2.672   7.377   3.468
  224    H    LYS  29           H        LYS  29   5.104   5.446   2.046
  225    HA   LYS  29           HA       LYS  29   3.634   5.281  -0.505
  226    HB2  LYS  29           HB2      LYS  29   6.496   6.034   0.121
  227    HB3  LYS  29           HB3      LYS  29   5.871   5.741  -1.505
  228    HG2  LYS  29           HG2      LYS  29   4.808   7.839   0.417
  229    HG3  LYS  29           HG3      LYS  29   5.991   8.168  -0.849
  230    HD2  LYS  29           HD2      LYS  29   4.154   7.151  -2.470
  231    HD3  LYS  29           HD3      LYS  29   3.059   7.375  -1.112
  232    HE2  LYS  29           HE2      LYS  29   2.784   9.250  -2.512
  233    HE3  LYS  29           HE3      LYS  29   3.641   9.830  -1.081
  234    HZ1  LYS  29           HZ1      LYS  29   4.506  10.619  -3.287
  235    HZ2  LYS  29           HZ2      LYS  29   5.660   9.934  -2.358
  236    HZ3  LYS  29           HZ3      LYS  29   5.014   9.086  -3.618
  237    H    ILE  30           H        ILE  30   5.867   3.832   1.813
  238    HA   ILE  30           HA       ILE  30   5.485   1.180   0.569
  239    HB   ILE  30           HB       ILE  30   7.897   0.709   0.913
  240   HG12  ILE  30          HG12      ILE  30   8.457   3.670   1.044
  241   HG13  ILE  30          HG13      ILE  30   8.225   2.746   2.526
  242   HG21  ILE  30          HG21      ILE  30   6.840   1.441  -1.285
  243   HG22  ILE  30          HG22      ILE  30   7.571   3.037  -1.041
  244   HG23  ILE  30          HG23      ILE  30   8.602   1.591  -1.156
  245   HD11  ILE  30          HD11      ILE  30  10.051   1.205   1.881
  246   HD12  ILE  30          HD12      ILE  30  10.378   2.230   0.445
  247   HD13  ILE  30          HD13      ILE  30  10.576   2.887   2.079
  248    H    ALA  31           H        ALA  31   6.577  -0.432   2.127
  249    HA   ALA  31           HA       ALA  31   6.247   0.299   4.999
  250    HB1  ALA  31           HB1      ALA  31   5.565  -2.102   5.350
  251    HB2  ALA  31           HB2      ALA  31   4.356  -1.155   4.447
  252    HB3  ALA  31           HB3      ALA  31   5.430  -2.282   3.588
  253    H    VAL  32           H        VAL  32   8.046  -0.471   6.165
  254    HA   VAL  32           HA       VAL  32  10.281  -1.495   4.552
  255    HB   VAL  32           HB       VAL  32  10.490   0.543   6.767
  256   HG11  VAL  32          HG11      VAL  32  12.497  -0.552   5.522
  257   HG12  VAL  32          HG12      VAL  32  12.025   0.592   4.226
  258   HG13  VAL  32          HG13      VAL  32  12.435   1.182   5.856
  259   HG21  VAL  32          HG21      VAL  32   9.520   1.158   3.973
  260   HG22  VAL  32          HG22      VAL  32   8.887   1.753   5.517
  261   HG23  VAL  32          HG23      VAL  32  10.420   2.350   4.883
  262    H    THR  33           H        THR  33  11.783  -2.903   5.546
  263    HA   THR  33           HA       THR  33  11.403  -3.739   8.359
  264    HB   THR  33           HB       THR  33  11.586  -5.853   6.307
  265    HG1  THR  33           HG1      THR  33   9.978  -4.728   5.335
  266   HG21  THR  33          HG21      THR  33   9.948  -5.565   8.857
  267   HG22  THR  33          HG22      THR  33  10.020  -7.023   7.840
  268   HG23  THR  33          HG23      THR  33  11.471  -6.470   8.681
  269    H    SER  34           H        SER  34  13.332  -5.233   9.042
  270    HA   SER  34           HA       SER  34  15.558  -5.330   7.153
  271    HB2  SER  34           HB2      SER  34  15.903  -3.231   8.438
  272    HB3  SER  34           HB3      SER  34  15.916  -4.171   9.937
  273    HG   SER  34           HG       SER  34  17.728  -4.590   7.777
  274    H    CYS  35           H        CYS  35  17.194  -7.019   7.814
  275    HA   CYS  35           HA       CYS  35  16.519  -8.740  10.034
  276    HB2  CYS  35           HB2      CYS  35  15.883 -10.739   8.757
  277    HB3  CYS  35           HB3      CYS  35  14.792  -9.400   8.368
  278    HG   CYS  35           HG       CYS  35  15.762  -8.705   6.152
  279    H    GLY  36           H        GLY  36  17.930 -10.797  10.011
  280    HA2  GLY  36           HA2      GLY  36  20.102 -11.646  10.080
  281    HA3  GLY  36           HA3      GLY  36  20.484 -10.748   8.589
  282    H    LEU  37           H        LEU  37  19.379  -9.860  11.882
  283    HA   LEU  37           HA       LEU  37  20.754  -7.293  11.682
  284    HB2  LEU  37           HB2      LEU  37  18.260  -8.117  12.520
  285    HB3  LEU  37           HB3      LEU  37  19.057  -8.068  14.061
  286    HG   LEU  37           HG       LEU  37  19.621  -5.635  12.473
  287   HD11  LEU  37          HD11      LEU  37  16.674  -6.194  13.037
  288   HD12  LEU  37          HD12      LEU  37  17.375  -4.700  12.406
  289   HD13  LEU  37          HD13      LEU  37  17.426  -6.160  11.425
  290   HD21  LEU  37          HD21      LEU  37  18.818  -4.531  14.499
  291   HD22  LEU  37          HD22      LEU  37  18.121  -6.053  15.092
  292   HD23  LEU  37          HD23      LEU  37  19.866  -5.894  14.931
  293    H    GLU  38           H        GLU  38  22.743  -8.841  11.664
  294    HA   GLU  38           HA       GLU  38  24.566  -9.749  12.430
  295    HB2  GLU  38           HB2      GLU  38  24.844  -7.596  13.579
  296    HB3  GLU  38           HB3      GLU  38  24.106  -8.266  15.038
  297    HG2  GLU  38           HG2      GLU  38  25.905 -10.018  15.090
  298    HG3  GLU  38           HG3      GLU  38  26.630  -9.288  13.655
  299    H    SER  39           H        SER  39  22.459  -9.800  15.256
  300    HA   SER  39           HA       SER  39  22.220 -12.700  15.372
  301    HB2  SER  39           HB2      SER  39  23.659 -11.270  17.656
  302    HB3  SER  39           HB3      SER  39  23.285 -12.990  17.551
  303    HG   SER  39           HG       SER  39  24.764 -13.103  15.772
  304    H    SER  40           H        SER  40  20.367 -10.697  14.913
  305    HA   SER  40           HA       SER  40  18.433  -9.751  15.579
  306    HB2  SER  40           HB2      SER  40  18.487 -11.976  17.631
  307    HB3  SER  40           HB3      SER  40  17.056 -11.093  17.089
  308    HG   SER  40           HG       SER  40  17.502 -13.177  15.985
  309    H    ARG  41           H        ARG  41  20.457  -8.122  16.517
  310    HA   ARG  41           HA       ARG  41  18.966  -6.930  18.684
  311    HB2  ARG  41           HB2      ARG  41  20.629  -6.733  20.355
  312    HB3  ARG  41           HB3      ARG  41  20.478  -8.433  19.989
  313    HG2  ARG  41           HG2      ARG  41  22.745  -6.589  19.133
  314    HG3  ARG  41           HG3      ARG  41  22.764  -7.815  20.405
  315    HD2  ARG  41           HD2      ARG  41  22.421  -9.582  18.670
  316    HD3  ARG  41           HD3      ARG  41  22.534  -8.329  17.423
  317    HE   ARG  41           HE       ARG  41  24.799  -8.207  17.657
  318   HH11  ARG  41          HH11      ARG  41  23.629 -10.114  20.468
  319   HH12  ARG  41          HH12      ARG  41  25.223 -10.596  20.913
  320   HH21  ARG  41          HH21      ARG  41  26.745  -8.819  18.211
  321   HH22  ARG  41          HH22      ARG  41  27.101  -9.825  19.610
  322    H    VAL  42           H        VAL  42  19.222  -4.701  18.815
  323    HA   VAL  42           HA       VAL  42  20.486  -3.367  16.566
  324    HB   VAL  42           HB       VAL  42  19.452  -1.424  17.466
  325   HG11  VAL  42          HG11      VAL  42  17.160  -1.959  17.453
  326   HG12  VAL  42          HG12      VAL  42  17.925  -3.249  16.522
  327   HG13  VAL  42          HG13      VAL  42  17.415  -3.559  18.184
  328   HG21  VAL  42          HG21      VAL  42  18.923  -2.884  20.093
  329   HG22  VAL  42          HG22      VAL  42  20.085  -1.562  19.853
  330   HG23  VAL  42          HG23      VAL  42  18.357  -1.256  19.667
  331    H    HIS  43           H        HIS  43  21.675  -1.228  17.230
  332    HA   HIS  43           HA       HIS  43  23.815  -1.872  19.183
  333    HB2  HIS  43           HB2      HIS  43  24.254  -2.658  16.808
  334    HB3  HIS  43           HB3      HIS  43  24.262  -0.976  16.307
  335    HD1  HIS  43           HD1      HIS  43  26.675   0.119  16.481
  336    HD2  HIS  43           HD2      HIS  43  26.100  -3.274  18.908
  337    HE1  HIS  43           HE1      HIS  43  28.915  -0.340  17.624
  338    HA   PRO  44           HA       PRO  44  22.299   2.212  20.116
  339    HB2  PRO  44           HB2      PRO  44  23.945   2.999  22.145
  340    HB3  PRO  44           HB3      PRO  44  22.760   1.664  22.341
  341    HG2  PRO  44           HG2      PRO  44  25.679   1.452  21.505
  342    HG3  PRO  44           HG3      PRO  44  24.896   0.626  22.915
  343    HD2  PRO  44           HD2      PRO  44  25.104  -0.716  20.615
  344    HD3  PRO  44           HD3      PRO  44  23.497  -0.714  21.426
  345    H    THR  45           H        THR  45  25.810   1.795  19.314
  346    HA   THR  45           HA       THR  45  26.295   4.503  18.987
  347    HB   THR  45           HB       THR  45  27.510   2.243  17.343
  348    HG1  THR  45           HG1      THR  45  29.016   2.158  19.076
  349   HG21  THR  45          HG21      THR  45  29.539   3.708  17.300
  350   HG22  THR  45          HG22      THR  45  28.179   4.415  16.430
  351   HG23  THR  45          HG23      THR  45  28.588   5.012  18.054
  352    H    ALA  46           H        ALA  46  24.609   2.182  16.838
  353    HA   ALA  46           HA       ALA  46  24.593   3.922  14.531
  354    HB1  ALA  46           HB1      ALA  46  24.177   1.421  14.456
  355    HB2  ALA  46           HB2      ALA  46  22.586   1.716  15.186
  356    HB3  ALA  46           HB3      ALA  46  22.980   2.399  13.591
  357    H    ILE  47           H        ILE  47  22.428   3.393  17.330
  358    HA   ILE  47           HA       ILE  47  20.343   5.162  16.465
  359    HB   ILE  47           HB       ILE  47  21.203   4.124  19.125
  360   HG12  ILE  47          HG12      ILE  47  18.943   3.176  19.143
  361   HG13  ILE  47          HG13      ILE  47  18.639   3.785  17.499
  362   HG21  ILE  47          HG21      ILE  47  18.931   6.107  18.663
  363   HG22  ILE  47          HG22      ILE  47  19.169   5.167  20.153
  364   HG23  ILE  47          HG23      ILE  47  20.365   6.363  19.684
  365   HD11  ILE  47          HD11      ILE  47  19.089   1.407  17.589
  366   HD12  ILE  47          HD12      ILE  47  20.393   2.218  16.688
  367   HD13  ILE  47          HD13      ILE  47  20.655   1.676  18.372
  368    H    ALA  48           H        ALA  48  23.245   5.831  18.556
  369    HA   ALA  48           HA       ALA  48  22.665   8.588  18.786
  370    HB1  ALA  48           HB1      ALA  48  25.038   8.902  19.273
  371    HB2  ALA  48           HB2      ALA  48  24.386   7.497  20.145
  372    HB3  ALA  48           HB3      ALA  48  25.406   7.258  18.702
  373    H    MET  49           H        MET  49  24.548   6.852  16.320
  374    HA   MET  49           HA       MET  49  25.255   9.121  14.757
  375    HB2  MET  49           HB2      MET  49  25.005   6.160  14.176
  376    HB3  MET  49           HB3      MET  49  25.553   7.309  12.945
  377    HG2  MET  49           HG2      MET  49  26.857   7.133  15.679
  378    HG3  MET  49           HG3      MET  49  27.279   6.049  14.387
  379    HE1  MET  49           HE1      MET  49  28.902  10.098  15.149
  380    HE2  MET  49           HE2      MET  49  27.192   9.802  15.553
  381    HE3  MET  49           HE3      MET  49  28.443   8.723  16.196
  382    H    MET  50           H        MET  50  22.164   7.498  15.082
  383    HA   MET  50           HA       MET  50  21.179   8.866  12.643
  384    HB2  MET  50           HB2      MET  50  19.812   6.912  14.531
  385    HB3  MET  50           HB3      MET  50  19.091   7.644  13.091
  386    HG2  MET  50           HG2      MET  50  21.103   5.488  13.261
  387    HG3  MET  50           HG3      MET  50  19.746   5.683  12.202
  388    HE1  MET  50           HE1      MET  50  22.976   4.778  11.708
  389    HE2  MET  50           HE2      MET  50  23.994   6.118  11.089
  390    HE3  MET  50           HE3      MET  50  23.451   6.096  12.775
  391    H    GLU  51           H        GLU  51  21.082   9.097  16.145
  392    HA   GLU  51           HA       GLU  51  19.114  11.121  16.260
  393    HB2  GLU  51           HB2      GLU  51  20.048   9.693  18.142
  394    HB3  GLU  51           HB3      GLU  51  21.524  10.654  18.098
  395    HG2  GLU  51           HG2      GLU  51  20.236  12.704  18.626
  396    HG3  GLU  51           HG3      GLU  51  18.736  11.770  18.622
  397    H    GLU  52           H        GLU  52  22.555  11.183  15.441
  398    HA   GLU  52           HA       GLU  52  23.007  13.965  15.291
  399    HB2  GLU  52           HB2      GLU  52  24.016  11.747  13.472
  400    HB3  GLU  52           HB3      GLU  52  24.594  13.407  13.439
  401    HG2  GLU  52           HG2      GLU  52  25.196  13.021  15.955
  402    HG3  GLU  52           HG3      GLU  52  25.104  11.303  15.544
  403    H    VAL  53           H        VAL  53  20.861  12.024  13.334
  404    HA   VAL  53           HA       VAL  53  20.511  14.269  11.410
  405    HB   VAL  53           HB       VAL  53  21.753  12.583  10.327
  406   HG11  VAL  53          HG11      VAL  53  20.941  10.279   9.873
  407   HG12  VAL  53          HG12      VAL  53  21.415  10.601  11.537
  408   HG13  VAL  53          HG13      VAL  53  19.683  10.527  11.099
  409   HG21  VAL  53          HG21      VAL  53  19.978  13.708   8.981
  410   HG22  VAL  53          HG22      VAL  53  20.529  12.147   8.354
  411   HG23  VAL  53          HG23      VAL  53  18.972  12.257   9.195
  412    H    GLY  54           H        GLY  54  19.186  13.097  14.035
  413    HA2  GLY  54           HA2      GLY  54  17.101  13.313  14.941
  414    HA3  GLY  54           HA3      GLY  54  16.592  14.156  13.471
  415    H    ILE  55           H        ILE  55  17.852  10.809  13.745
  416    HA   ILE  55           HA       ILE  55  15.237   9.699  12.975
  417    HB   ILE  55           HB       ILE  55  17.906   8.867  11.792
  418   HG12  ILE  55          HG12      ILE  55  15.429  10.289  10.714
  419   HG13  ILE  55          HG13      ILE  55  17.065  10.950  10.864
  420   HG21  ILE  55          HG21      ILE  55  15.106   7.693  11.400
  421   HG22  ILE  55          HG22      ILE  55  16.550   7.252  10.476
  422   HG23  ILE  55          HG23      ILE  55  16.498   6.868  12.164
  423   HD11  ILE  55          HD11      ILE  55  17.851   9.194   9.272
  424   HD12  ILE  55          HD12      ILE  55  16.116   8.808   9.001
  425   HD13  ILE  55          HD13      ILE  55  16.747  10.421   8.600
  426    H    ASP  56           H        ASP  56  15.032   7.438  13.810
  427    HA   ASP  56           HA       ASP  56  16.976   6.578  15.856
  428    HB2  ASP  56           HB2      ASP  56  15.396   7.753  17.276
  429    HB3  ASP  56           HB3      ASP  56  14.022   7.021  16.431
  430    H    ILE  57           H        ILE  57  16.898   4.304  16.090
  431    HA   ILE  57           HA       ILE  57  15.241   2.760  14.287
  432    HB   ILE  57           HB       ILE  57  17.159   1.702  13.227
  433   HG12  ILE  57          HG12      ILE  57  18.875   3.806  14.619
  434   HG13  ILE  57          HG13      ILE  57  18.908   2.059  14.898
  435   HG21  ILE  57          HG21      ILE  57  17.488   4.677  12.718
  436   HG22  ILE  57          HG22      ILE  57  17.526   3.313  11.561
  437   HG23  ILE  57          HG23      ILE  57  16.004   3.829  12.275
  438   HD11  ILE  57          HD11      ILE  57  19.753   1.684  12.615
  439   HD12  ILE  57          HD12      ILE  57  19.677   3.434  12.277
  440   HD13  ILE  57          HD13      ILE  57  20.777   2.831  13.514
  441    H    SER  58           H        SER  58  16.071   3.201  17.324
  442    HA   SER  58           HA       SER  58  16.933   0.596  18.164
  443    HB2  SER  58           HB2      SER  58  16.998   2.832  19.456
  444    HB3  SER  58           HB3      SER  58  15.282   2.560  19.793
  445    HG   SER  58           HG       SER  58  16.669   1.692  21.445
  446    H    GLY  59           H        GLY  59  15.609  -1.057  19.028
  447    HA2  GLY  59           HA2      GLY  59  13.850  -2.484  19.086
  448    HA3  GLY  59           HA3      GLY  59  12.836  -1.047  19.257
  449    H    GLN  60           H        GLN  60  14.366  -0.730  16.230
  450    HA   GLN  60           HA       GLN  60  12.029  -1.017  14.773
  451    HB2  GLN  60           HB2      GLN  60  14.961  -0.880  14.108
  452    HB3  GLN  60           HB3      GLN  60  13.983  -1.644  12.875
  453    HG2  GLN  60           HG2      GLN  60  12.393   0.221  12.896
  454    HG3  GLN  60           HG3      GLN  60  13.343   1.016  14.189
  455   HE21  GLN  60          HE22      GLN  60  14.957  -0.520  11.303
  456   HE22  GLN  60          HE21      GLN  60  15.645   1.013  10.820
  457    H    THR  61           H        THR  61  14.667  -3.351  14.818
  458    HA   THR  61           HA       THR  61  12.922  -5.637  14.396
  459    HB   THR  61           HB       THR  61  14.568  -6.129  12.384
  460    HG1  THR  61           HG1      THR  61  14.476  -3.622  11.456
  461   HG21  THR  61          HG21      THR  61  12.066  -5.888  12.273
  462   HG22  THR  61          HG22      THR  61  12.297  -4.161  11.931
  463   HG23  THR  61          HG23      THR  61  12.932  -5.397  10.822
  464    H    SER  62           H        SER  62  14.056  -7.592  14.727
  465    HA   SER  62           HA       SER  62  16.804  -7.819  15.578
  466    HB2  SER  62           HB2      SER  62  14.521  -7.869  17.612
  467    HB3  SER  62           HB3      SER  62  16.031  -8.753  17.866
  468    HG   SER  62           HG       SER  62  15.955  -6.598  18.813
  469    H    ASP  63           H        ASP  63  16.109  -9.009  13.467
  470    HA   ASP  63           HA       ASP  63  14.670 -11.546  14.103
  471    HB2  ASP  63           HB2      ASP  63  14.082  -9.537  11.910
  472    HB3  ASP  63           HB3      ASP  63  13.364 -11.139  12.014
  473    HA   PRO  64           HA       PRO  64  17.751 -13.043  11.127
  474    HB2  PRO  64           HB2      PRO  64  17.139 -15.690  11.100
  475    HB3  PRO  64           HB3      PRO  64  17.857 -14.897  12.533
  476    HG2  PRO  64           HG2      PRO  64  14.953 -15.563  12.026
  477    HG3  PRO  64           HG3      PRO  64  15.913 -15.842  13.510
  478    HD2  PRO  64           HD2      PRO  64  14.258 -13.648  13.138
  479    HD3  PRO  64           HD3      PRO  64  15.713 -13.623  14.178
  480    H    ILE  65           H        ILE  65  17.776 -13.973   8.950
  481    HA   ILE  65           HA       ILE  65  15.694 -12.981   7.292
  482    HB   ILE  65           HB       ILE  65  18.082 -13.099   6.665
  483   HG12  ILE  65          HG12      ILE  65  16.319 -14.673   4.722
  484   HG13  ILE  65          HG13      ILE  65  16.388 -12.918   4.928
  485   HG21  ILE  65          HG21      ILE  65  19.239 -15.136   6.080
  486   HG22  ILE  65          HG22      ILE  65  18.598 -15.378   7.695
  487   HG23  ILE  65          HG23      ILE  65  17.781 -16.115   6.303
  488   HD11  ILE  65          HD11      ILE  65  18.824 -12.993   4.251
  489   HD12  ILE  65          HD12      ILE  65  18.608 -14.715   3.874
  490   HD13  ILE  65          HD13      ILE  65  17.673 -13.497   2.997
  491    H    GLU  66           H        GLU  66  16.377 -16.227   8.485
  492    HA   GLU  66           HA       GLU  66  14.627 -17.554   6.700
  493    HB2  GLU  66           HB2      GLU  66  15.918 -18.249   9.360
  494    HB3  GLU  66           HB3      GLU  66  14.862 -19.409   8.523
  495    HG2  GLU  66           HG2      GLU  66  16.326 -19.254   6.509
  496    HG3  GLU  66           HG3      GLU  66  17.415 -18.194   7.400
  497    H    ASN  67           H        ASN  67  13.893 -15.741   9.589
  498    HA   ASN  67           HA       ASN  67  11.319 -16.945   9.989
  499    HB2  ASN  67           HB2      ASN  67  11.277 -15.733  11.843
  500    HB3  ASN  67           HB3      ASN  67  12.865 -15.098  11.438
  501   HD21  ASN  67          HD22      ASN  67  13.025 -13.055  10.292
  502   HD22  ASN  67          HD21      ASN  67  11.684 -11.928  10.315
  503    H    PHE  68           H        PHE  68  12.596 -14.725   7.590
  504    HA   PHE  68           HA       PHE  68   9.912 -13.641   7.056
  505    HB2  PHE  68           HB2      PHE  68  12.679 -12.658   6.298
  506    HB3  PHE  68           HB3      PHE  68  11.209 -11.989   5.622
  507    HD1  PHE  68           HD2      PHE  68   9.289 -11.542   7.618
  508    HD2  PHE  68           HD1      PHE  68  13.566 -11.345   8.035
  509    HE1  PHE  68           HE2      PHE  68   9.023  -9.905   9.447
  510    HE2  PHE  68           HE1      PHE  68  13.290  -9.625   9.835
  511    HZ   PHE  68           HZ       PHE  68  11.030  -8.928  10.553
  512    H    ASN  69           H        ASN  69   9.536 -13.168   4.649
  513    HA   ASN  69           HA       ASN  69  10.170 -15.473   2.918
  514    HB2  ASN  69           HB2      ASN  69   8.141 -16.018   4.257
  515    HB3  ASN  69           HB3      ASN  69   7.501 -14.390   3.938
  516   HD21  ASN  69          HD21      ASN  69   7.035 -13.780   1.882
  517   HD22  ASN  69          HD22      ASN  69   6.246 -14.924   0.763
  518    H    ALA  70           H        ALA  70  11.421 -13.938   1.618
  519    HA   ALA  70           HA       ALA  70  10.688 -11.312   1.088
  520    HB1  ALA  70           HB1      ALA  70  12.095 -13.340  -0.650
  521    HB2  ALA  70           HB2      ALA  70  11.988 -11.597  -0.998
  522    HB3  ALA  70           HB3      ALA  70  12.806 -12.116   0.475
  523    H    ASP  71           H        ASP  71   9.264 -14.235  -0.138
  524    HA   ASP  71           HA       ASP  71   8.073 -13.267  -2.533
  525    HB2  ASP  71           HB2      ASP  71   7.770 -15.506  -2.468
  526    HB3  ASP  71           HB3      ASP  71   7.640 -15.568  -0.720
  527    H    ASP  72           H        ASP  72   7.527 -12.486   0.750
  528    HA   ASP  72           HA       ASP  72   5.017 -11.024   0.162
  529    HB2  ASP  72           HB2      ASP  72   4.906 -12.856   1.844
  530    HB3  ASP  72           HB3      ASP  72   6.081 -11.996   2.831
  531    H    TYR  73           H        TYR  73   8.090 -10.152  -0.168
  532    HA   TYR  73           HA       TYR  73   7.478  -7.510   0.864
  533    HB2  TYR  73           HB2      TYR  73  10.246  -8.664   1.067
  534    HB3  TYR  73           HB3      TYR  73   9.744  -6.981   1.416
  535    HD1  TYR  73           HD2      TYR  73   9.187 -10.494   2.405
  536    HD2  TYR  73           HD1      TYR  73   8.995  -6.397   3.605
  537    HE1  TYR  73           HE2      TYR  73   8.345 -11.242   4.594
  538    HE2  TYR  73           HE1      TYR  73   8.208  -7.092   5.869
  539    HH   TYR  73           HH       TYR  73   7.542  -8.884   7.236
  540    H    ASP  74           H        ASP  74   7.195  -6.288  -0.930
  541    HA   ASP  74           HA       ASP  74   7.624  -7.431  -3.504
  542    HB2  ASP  74           HB2      ASP  74   7.195  -4.491  -2.807
  543    HB3  ASP  74           HB3      ASP  74   6.861  -5.261  -4.350
  544    H    VAL  75           H        VAL  75   9.859  -5.617  -1.558
  545    HA   VAL  75           HA       VAL  75  11.696  -5.240  -3.888
  546    HB   VAL  75           HB       VAL  75  10.493  -3.304  -2.050
  547   HG11  VAL  75          HG11      VAL  75  12.498  -2.004  -3.768
  548   HG12  VAL  75          HG12      VAL  75  11.967  -1.656  -2.150
  549   HG13  VAL  75          HG13      VAL  75  13.165  -2.950  -2.422
  550   HG21  VAL  75          HG21      VAL  75  10.062  -1.911  -4.055
  551   HG22  VAL  75          HG22      VAL  75  10.648  -3.275  -5.039
  552   HG23  VAL  75          HG23      VAL  75   9.214  -3.447  -4.013
  553    H    VAL  76           H        VAL  76  13.689  -6.189  -3.303
  554    HA   VAL  76           HA       VAL  76  14.260  -6.426  -0.402
  555    HB   VAL  76           HB       VAL  76  14.699  -8.208  -2.845
  556   HG11  VAL  76          HG11      VAL  76  16.924  -8.054  -1.685
  557   HG12  VAL  76          HG12      VAL  76  16.149  -8.591  -0.192
  558   HG13  VAL  76          HG13      VAL  76  16.211  -9.638  -1.657
  559   HG21  VAL  76          HG21      VAL  76  13.641  -8.851  -0.050
  560   HG22  VAL  76          HG22      VAL  76  12.631  -8.525  -1.470
  561   HG23  VAL  76          HG23      VAL  76  13.690  -9.943  -1.454
  562    H    ILE  77           H        ILE  77  16.071  -5.553   0.256
  563    HA   ILE  77           HA       ILE  77  18.185  -4.757  -1.659
  564    HB   ILE  77           HB       ILE  77  17.126  -3.194   0.732
  565   HG12  ILE  77          HG12      ILE  77  15.471  -3.001  -1.048
  566   HG13  ILE  77          HG13      ILE  77  16.325  -1.506  -0.780
  567   HG21  ILE  77          HG21      ILE  77  18.656  -1.459  -0.047
  568   HG22  ILE  77          HG22      ILE  77  19.541  -2.929   0.347
  569   HG23  ILE  77          HG23      ILE  77  19.250  -2.527  -1.348
  570   HD11  ILE  77          HD11      ILE  77  17.074  -3.417  -3.045
  571   HD12  ILE  77          HD12      ILE  77  15.872  -2.142  -3.210
  572   HD13  ILE  77          HD13      ILE  77  17.570  -1.748  -2.857
  573    H    SER  78           H        SER  78  19.327  -6.647  -1.121
  574    HA   SER  78           HA       SER  78  19.849  -7.202   1.707
  575    HB2  SER  78           HB2      SER  78  19.699  -9.076   0.310
  576    HB3  SER  78           HB3      SER  78  20.807  -8.388  -0.903
  577    HG   SER  78           HG       SER  78  22.467  -8.907   0.224
  578    H    LEU  79           H        LEU  79  22.236  -7.122   2.442
  579    HA   LEU  79           HA       LEU  79  23.937  -5.212   1.083
  580    HB2  LEU  79           HB2      LEU  79  23.164  -4.663   3.990
  581    HB3  LEU  79           HB3      LEU  79  24.553  -4.010   3.120
  582    HG   LEU  79           HG       LEU  79  22.758  -3.175   1.430
  583   HD11  LEU  79          HD11      LEU  79  20.677  -2.479   2.252
  584   HD12  LEU  79          HD12      LEU  79  20.812  -4.158   2.812
  585   HD13  LEU  79          HD13      LEU  79  21.126  -2.808   3.921
  586   HD21  LEU  79          HD21      LEU  79  24.331  -1.726   2.684
  587   HD22  LEU  79          HD22      LEU  79  22.730  -0.986   2.598
  588   HD23  LEU  79          HD23      LEU  79  23.258  -1.781   4.098
  589    H    CYS  80           H        CYS  80  24.196  -7.759   0.943
  590    HA   CYS  80           HA       CYS  80  25.993  -8.646   3.166
  591    HB2  CYS  80           HB2      CYS  80  24.312 -10.461   1.366
  592    HB3  CYS  80           HB3      CYS  80  25.329 -10.883   2.755
  593    HG   CYS  80           HG       CYS  80  22.391  -9.561   2.505
  594    H    GLY  81           H        GLY  81  26.327  -7.166   0.386
  595    HA2  GLY  81           HA2      GLY  81  28.427  -6.861  -0.613
  596    HA3  GLY  81           HA3      GLY  81  28.968  -8.441  -0.046
  597    H    CYS  82           H        CYS  82  25.884  -7.981  -1.638
  598    HA   CYS  82           HA       CYS  82  24.930  -9.167  -3.320
  599    HB2  CYS  82           HB2      CYS  82  25.945  -7.039  -4.239
  600    HB3  CYS  82           HB3      CYS  82  27.220  -8.055  -4.963
  601    HG   CYS  82           HG       CYS  82  25.630  -9.570  -6.334
  602    H    GLY  83           H        GLY  83  26.382 -10.981  -1.809
  603    HA2  GLY  83           HA2      GLY  83  27.252 -13.005  -3.792
  604    HA3  GLY  83           HA3      GLY  83  28.420 -12.437  -2.590
  605    H    VAL  84           H        VAL  84  24.886 -12.959  -2.159
  606    HA   VAL  84           HA       VAL  84  25.450 -15.196  -0.331
  607    HB   VAL  84           HB       VAL  84  23.485 -12.920   0.067
  608   HG11  VAL  84          HG11      VAL  84  22.424 -15.039   0.841
  609   HG12  VAL  84          HG12      VAL  84  23.874 -15.408   1.800
  610   HG13  VAL  84          HG13      VAL  84  22.863 -14.001   2.191
  611   HG21  VAL  84          HG21      VAL  84  24.891 -12.804   2.220
  612   HG22  VAL  84          HG22      VAL  84  26.056 -13.843   1.407
  613   HG23  VAL  84          HG23      VAL  84  25.673 -12.256   0.700
  614    H    ASN  85           H        ASN  85  24.097 -16.941  -0.471
  615    HA   ASN  85           HA       ASN  85  22.697 -17.236  -3.011
  616    HB2  ASN  85           HB2      ASN  85  24.311 -18.932  -1.925
  617    HB3  ASN  85           HB3      ASN  85  23.003 -19.323  -0.806
  618   HD21  ASN  85          HD22      ASN  85  23.771 -18.975  -4.303
  619   HD22  ASN  85          HD21      ASN  85  22.699 -20.243  -4.860
  620    H    LEU  86           H        LEU  86  21.275 -15.394  -2.011
  621    HA   LEU  86           HA       LEU  86  19.310 -15.934  -0.030
  622    HB2  LEU  86           HB2      LEU  86  19.136 -14.090  -2.446
  623    HB3  LEU  86           HB3      LEU  86  18.072 -14.041  -1.045
  624    HG   LEU  86           HG       LEU  86  21.080 -13.544  -0.900
  625   HD11  LEU  86          HD11      LEU  86  19.973 -11.844  -2.283
  626   HD12  LEU  86          HD12      LEU  86  18.831 -11.500  -0.964
  627   HD13  LEU  86          HD13      LEU  86  20.578 -11.181  -0.761
  628   HD21  LEU  86          HD21      LEU  86  20.620 -12.552   1.286
  629   HD22  LEU  86          HD22      LEU  86  18.887 -12.912   1.111
  630   HD23  LEU  86          HD23      LEU  86  20.066 -14.232   1.273
  631    HA   PRO  87           HA       PRO  87  16.952 -19.018  -2.198
  632    HB2  PRO  87           HB2      PRO  87  14.545 -17.838  -0.862
  633    HB3  PRO  87           HB3      PRO  87  15.050 -19.545  -0.963
  634    HG2  PRO  87           HG2      PRO  87  15.461 -18.050   1.325
  635    HG3  PRO  87           HG3      PRO  87  16.643 -19.278   0.773
  636    HD2  PRO  87           HD2      PRO  87  16.807 -16.290   0.555
  637    HD3  PRO  87           HD3      PRO  87  18.096 -17.508   0.758
  638    HA   PRO  88           HA       PRO  88  15.535 -17.145  -5.771
  639    HB2  PRO  88           HB2      PRO  88  13.155 -19.018  -5.886
  640    HB3  PRO  88           HB3      PRO  88  14.306 -18.599  -7.195
  641    HG2  PRO  88           HG2      PRO  88  14.587 -20.915  -5.816
  642    HG3  PRO  88           HG3      PRO  88  16.029 -19.914  -6.197
  643    HD2  PRO  88           HD2      PRO  88  14.513 -20.107  -3.591
  644    HD3  PRO  88           HD3      PRO  88  16.276 -20.031  -3.886
  645    H    GLU  89           H        GLU  89  12.967 -17.316  -3.324
  646    HA   GLU  89           HA       GLU  89  11.085 -15.657  -4.683
  647    HB2  GLU  89           HB2      GLU  89  10.133 -15.367  -2.412
  648    HB3  GLU  89           HB3      GLU  89  10.309 -17.050  -2.928
  649    HG2  GLU  89           HG2      GLU  89  12.299 -17.289  -1.492
  650    HG3  GLU  89           HG3      GLU  89  12.174 -15.596  -1.011
  651    H    TRP  90           H        TRP  90  14.020 -15.016  -2.910
  652    HA   TRP  90           HA       TRP  90  13.459 -12.257  -2.372
  653    HB2  TRP  90           HB2      TRP  90  16.055 -13.845  -2.501
  654    HB3  TRP  90           HB3      TRP  90  15.975 -12.168  -2.011
  655    HD1  TRP  90           HD1      TRP  90  14.658 -15.610  -0.769
  656    HE1  TRP  90           HE1      TRP  90  14.257 -15.514   1.763
  657    HE3  TRP  90           HE3      TRP  90  15.781 -10.769   0.021
  658    HZ2  TRP  90           HZ2      TRP  90  14.123 -13.464   3.806
  659    HZ3  TRP  90           HZ3      TRP  90  15.451  -9.661   2.191
  660    HH2  TRP  90           HH2      TRP  90  14.590 -11.042   4.139
  661    H    VAL  91           H        VAL  91  13.947 -13.785  -5.347
  662    HA   VAL  91           HA       VAL  91  15.375 -11.535  -6.542
  663    HB   VAL  91           HB       VAL  91  14.833 -14.260  -7.533
  664   HG11  VAL  91          HG11      VAL  91  16.656 -13.872  -9.163
  665   HG12  VAL  91          HG12      VAL  91  15.294 -12.779  -9.408
  666   HG13  VAL  91          HG13      VAL  91  16.772 -12.189  -8.613
  667   HG21  VAL  91          HG21      VAL  91  17.255 -14.722  -7.025
  668   HG22  VAL  91          HG22      VAL  91  17.335 -13.150  -6.197
  669   HG23  VAL  91          HG23      VAL  91  16.294 -14.454  -5.580
  670    H    THR  92           H        THR  92  12.237 -13.211  -6.595
  671    HA   THR  92           HA       THR  92  11.481 -12.383  -9.213
  672    HB   THR  92           HB       THR  92   9.238 -13.330  -8.347
  673    HG1  THR  92           HG1      THR  92   9.284 -14.274  -6.344
  674   HG21  THR  92          HG21      THR  92  10.121 -15.630  -8.319
  675   HG22  THR  92          HG22      THR  92  10.969 -14.672  -9.551
  676   HG23  THR  92          HG23      THR  92  11.764 -15.021  -8.002
  677    H    GLN  93           H        GLN  93  11.322 -10.776  -6.203
  678    HA   GLN  93           HA       GLN  93   9.257  -9.053  -6.175
  679    HB2  GLN  93           HB2      GLN  93  12.211  -8.889  -5.440
  680    HB3  GLN  93           HB3      GLN  93  11.013  -7.786  -4.782
  681    HG2  GLN  93           HG2      GLN  93  11.640 -10.587  -4.115
  682    HG3  GLN  93           HG3      GLN  93  11.144  -9.287  -3.074
  683   HE21  GLN  93          HE22      GLN  93  10.268 -12.216  -4.196
  684   HE22  GLN  93          HE21      GLN  93   8.516 -12.101  -4.306
  685    H    GLU  94           H        GLU  94   9.314  -6.640  -6.362
  686    HA   GLU  94           HA       GLU  94   9.565  -5.864  -9.090
  687    HB2  GLU  94           HB2      GLU  94   7.779  -4.853  -7.949
  688    HB3  GLU  94           HB3      GLU  94   8.694  -4.678  -6.463
  689    HG2  GLU  94           HG2      GLU  94   8.270  -2.551  -7.306
  690    HG3  GLU  94           HG3      GLU  94   9.987  -2.922  -7.256
  691    H    ILE  95           H        ILE  95  11.402  -5.455  -6.055
  692    HA   ILE  95           HA       ILE  95  13.729  -4.672  -7.751
  693    HB   ILE  95           HB       ILE  95  13.076  -3.591  -5.007
  694   HG12  ILE  95          HG12      ILE  95  12.007  -2.358  -6.792
  695   HG13  ILE  95          HG13      ILE  95  13.222  -1.411  -5.925
  696   HG21  ILE  95          HG21      ILE  95  15.681  -3.456  -6.622
  697   HG22  ILE  95          HG22      ILE  95  15.309  -2.307  -5.335
  698   HG23  ILE  95          HG23      ILE  95  15.457  -4.023  -4.954
  699   HD11  ILE  95          HD11      ILE  95  14.727  -1.513  -7.817
  700   HD12  ILE  95          HD12      ILE  95  13.678  -2.683  -8.663
  701   HD13  ILE  95          HD13      ILE  95  13.113  -1.035  -8.392
  702    H    PHE  96           H        PHE  96  15.459  -5.893  -7.410
  703    HA   PHE  96           HA       PHE  96  15.803  -7.218  -4.854
  704    HB2  PHE  96           HB2      PHE  96  15.094  -9.210  -5.961
  705    HB3  PHE  96           HB3      PHE  96  15.974  -8.794  -7.446
  706    HD1  PHE  96           HD1      PHE  96  17.071  -8.577  -3.836
  707    HD2  PHE  96           HD2      PHE  96  17.789 -10.348  -7.696
  708    HE1  PHE  96           HE1      PHE  96  19.185  -9.417  -3.014
  709    HE2  PHE  96           HE2      PHE  96  19.920 -11.295  -6.833
  710    HZ   PHE  96           HZ       PHE  96  20.638 -10.834  -4.502
  711    H    GLU  97           H        GLU  97  17.541  -6.243  -4.215
  712    HA   GLU  97           HA       GLU  97  19.767  -5.760  -6.060
  713    HB2  GLU  97           HB2      GLU  97  17.987  -3.727  -5.599
  714    HB3  GLU  97           HB3      GLU  97  18.967  -3.573  -4.141
  715    HG2  GLU  97           HG2      GLU  97  19.672  -2.077  -5.904
  716    HG3  GLU  97           HG3      GLU  97  20.963  -3.189  -5.433
  717    H    ASP  98           H        ASP  98  21.630  -5.074  -4.709
  718    HA   ASP  98           HA       ASP  98  21.534  -5.790  -1.916
  719    HB2  ASP  98           HB2      ASP  98  22.276  -7.903  -2.899
  720    HB3  ASP  98           HB3      ASP  98  23.616  -7.065  -3.688
  721    H    TRP  99           H        TRP  99  22.221  -3.952  -1.058
  722    HA   TRP  99           HA       TRP  99  23.980  -2.094  -2.539
  723    HB2  TRP  99           HB2      TRP  99  22.265  -1.851  -0.024
  724    HB3  TRP  99           HB3      TRP  99  23.387  -0.613  -0.533
  725    HD1  TRP  99           HD1      TRP  99  22.065  -1.756  -3.722
  726    HE1  TRP  99           HE1      TRP  99  19.917  -0.589  -4.428
  727    HE3  TRP  99           HE3      TRP  99  20.890   0.493   0.725
  728    HZ2  TRP  99           HZ2      TRP  99  17.776   0.858  -3.149
  729    HZ3  TRP  99           HZ3      TRP  99  18.700   1.635   0.977
  730    HH2  TRP  99           HH2      TRP  99  17.119   1.731  -0.930
  731    H    GLN 100           H        GLN 100  25.688  -3.553  -2.520
  732    HA   GLN 100           HA       GLN 100  27.006  -4.684  -0.350
  733    HB2  GLN 100           HB2      GLN 100  28.916  -4.850  -1.801
  734    HB3  GLN 100           HB3      GLN 100  27.413  -5.414  -2.527
  735    HG2  GLN 100           HG2      GLN 100  28.643  -2.675  -3.096
  736    HG3  GLN 100           HG3      GLN 100  29.053  -4.120  -4.019
  737   HE21  GLN 100          HE22      GLN 100  27.207  -5.294  -5.130
  738   HE22  GLN 100          HE21      GLN 100  25.804  -4.373  -5.622
  739    H    LEU 101           H        LEU 101  26.448  -1.788   0.332
  740    HA   LEU 101           HA       LEU 101  28.832  -0.245  -0.090
  741    HB2  LEU 101           HB2      LEU 101  26.240   0.158   1.473
  742    HB3  LEU 101           HB3      LEU 101  27.568   1.251   1.763
  743    HG   LEU 101           HG       LEU 101  25.834   2.119   0.172
  744   HD11  LEU 101          HD11      LEU 101  28.654   1.880  -1.000
  745   HD12  LEU 101          HD12      LEU 101  27.457   3.147  -1.338
  746   HD13  LEU 101          HD13      LEU 101  28.169   3.014   0.280
  747   HD21  LEU 101          HD21      LEU 101  27.054   0.156  -1.832
  748   HD22  LEU 101          HD22      LEU 101  25.425   0.037  -1.132
  749   HD23  LEU 101          HD23      LEU 101  25.863   1.410  -2.159
  750    H    GLU 102           H        GLU 102  29.682   0.974   2.035
  751    HA   GLU 102           HA       GLU 102  31.429  -0.849   3.087
  752    HB2  GLU 102           HB2      GLU 102  30.803   2.022   3.490
  753    HB3  GLU 102           HB3      GLU 102  31.585   1.292   4.896
  754    HG2  GLU 102           HG2      GLU 102  32.629   0.852   2.094
  755    HG3  GLU 102           HG3      GLU 102  33.043   2.297   3.022
  756    H    ASP 103           H        ASP 103  32.047  -1.222   5.211
  757    HA   ASP 103           HA       ASP 103  29.859  -2.401   6.868
  758    HB2  ASP 103           HB2      ASP 103  31.397  -4.013   5.995
  759    HB3  ASP 103           HB3      ASP 103  32.786  -3.072   6.565
  760    HA   PRO 104           HA       PRO 104  31.416   0.867   9.650
  761    HB2  PRO 104           HB2      PRO 104  29.211   1.273  11.172
  762    HB3  PRO 104           HB3      PRO 104  29.264   1.815   9.468
  763    HG2  PRO 104           HG2      PRO 104  28.066  -0.747  10.582
  764    HG3  PRO 104           HG3      PRO 104  27.312   0.415   9.437
  765    HD2  PRO 104           HD2      PRO 104  28.632  -1.913   8.678
  766    HD3  PRO 104           HD3      PRO 104  28.546  -0.448   7.635
  767    H    ASP 105           H        ASP 105  30.641  -2.436  10.174
  768    HA   ASP 105           HA       ASP 105  30.461  -3.774  12.058
  769    HB2  ASP 105           HB2      ASP 105  32.558  -4.133  10.883
  770    HB3  ASP 105           HB3      ASP 105  33.346  -2.869  11.806
  771    H    GLY 106           H        GLY 106  33.106  -2.316  13.589
  772    HA2  GLY 106           HA2      GLY 106  31.521  -0.801  15.606
  773    HA3  GLY 106           HA3      GLY 106  32.788  -1.945  16.122
  774    H    GLN 107           H        GLN 107  32.662   0.203  13.300
  775    HA   GLN 107           HA       GLN 107  35.422   1.015  13.537
  776    HB2  GLN 107           HB2      GLN 107  33.137   1.823  11.644
  777    HB3  GLN 107           HB3      GLN 107  34.764   2.429  11.495
  778    HG2  GLN 107           HG2      GLN 107  35.281  -0.262  11.731
  779    HG3  GLN 107           HG3      GLN 107  33.777  -0.258  10.794
  780   HE21  GLN 107          HE22      GLN 107  34.060   0.047   8.546
  781   HE22  GLN 107          HE21      GLN 107  35.483   0.785   7.838
  782    H    SER 108           H        SER 108  35.674   3.409  12.788
  783    HA   SER 108           HA       SER 108  35.277   5.103  15.082
  784    HB2  SER 108           HB2      SER 108  36.028   5.899  12.236
  785    HB3  SER 108           HB3      SER 108  36.389   6.788  13.724
  786    HG   SER 108           HG       SER 108  37.829   5.126  14.316
  787    H    LEU 109           H        LEU 109  33.925   7.015  15.137
  788    HA   LEU 109           HA       LEU 109  31.275   6.705  14.210
  789    HB2  LEU 109           HB2      LEU 109  32.727   9.269  14.963
  790    HB3  LEU 109           HB3      LEU 109  30.988   9.095  14.769
  791    HG   LEU 109           HG       LEU 109  32.741   7.899  16.935
  792   HD11  LEU 109          HD11      LEU 109  30.312   9.752  17.048
  793   HD12  LEU 109          HD12      LEU 109  31.266   9.174  18.427
  794   HD13  LEU 109          HD13      LEU 109  32.009  10.232  17.218
  795   HD21  LEU 109          HD21      LEU 109  31.257   6.085  16.457
  796   HD22  LEU 109          HD22      LEU 109  30.609   6.903  17.877
  797   HD23  LEU 109          HD23      LEU 109  29.858   7.162  16.286
  798    H    GLU 110           H        GLU 110  34.072   8.147  12.602
  799    HA   GLU 110           HA       GLU 110  32.669   9.596  10.601
  800    HB2  GLU 110           HB2      GLU 110  35.414   8.254  10.572
  801    HB3  GLU 110           HB3      GLU 110  34.799   9.284   9.258
  802    HG2  GLU 110           HG2      GLU 110  34.379  11.089  10.914
  803    HG3  GLU 110           HG3      GLU 110  35.148  10.094  12.160
  804    H    VAL 111           H        VAL 111  33.586   6.069  10.723
  805    HA   VAL 111           HA       VAL 111  32.614   5.832   8.019
  806    HB   VAL 111           HB       VAL 111  33.250   3.640  10.055
  807   HG11  VAL 111          HG11      VAL 111  31.762   2.802   8.264
  808   HG12  VAL 111          HG12      VAL 111  32.744   3.606   7.019
  809   HG13  VAL 111          HG13      VAL 111  33.389   2.239   7.915
  810   HG21  VAL 111          HG21      VAL 111  35.363   3.411   8.721
  811   HG22  VAL 111          HG22      VAL 111  34.921   4.862   7.802
  812   HG23  VAL 111          HG23      VAL 111  35.256   4.965   9.544
  813    H    PHE 112           H        PHE 112  31.222   5.160  11.280
  814    HA   PHE 112           HA       PHE 112  28.666   4.343  10.418
  815    HB2  PHE 112           HB2      PHE 112  29.502   6.075  12.762
  816    HB3  PHE 112           HB3      PHE 112  27.827   5.787  12.369
  817    HD1  PHE 112           HD1      PHE 112  31.012   3.951  13.193
  818    HD2  PHE 112           HD2      PHE 112  26.698   3.847  13.059
  819    HE1  PHE 112           HE1      PHE 112  31.020   1.812  14.427
  820    HE2  PHE 112           HE2      PHE 112  26.717   1.737  14.346
  821    HZ   PHE 112           HZ       PHE 112  28.897   0.684  14.998
  822    H    ARG 113           H        ARG 113  29.753   7.793  10.766
  823    HA   ARG 113           HA       ARG 113  27.406   8.991   9.727
  824    HB2  ARG 113           HB2      ARG 113  30.326   9.904   9.501
  825    HB3  ARG 113           HB3      ARG 113  28.951  10.883   9.033
  826    HG2  ARG 113           HG2      ARG 113  28.084  10.764  11.372
  827    HG3  ARG 113           HG3      ARG 113  29.540   9.897  11.863
  828    HD2  ARG 113           HD2      ARG 113  30.950  11.762  11.193
  829    HD3  ARG 113           HD3      ARG 113  29.540  12.661  10.589
  830    HE   ARG 113           HE       ARG 113  28.721  12.263  13.080
  831   HH11  ARG 113          HH11      ARG 113  31.886  13.475  11.917
  832   HH12  ARG 113          HH12      ARG 113  32.230  14.340  13.369
  833   HH21  ARG 113          HH21      ARG 113  29.182  13.371  14.958
  834   HH22  ARG 113          HH22      ARG 113  30.645  14.304  15.157
  835    H    THR 114           H        THR 114  30.360   7.893   8.021
  836    HA   THR 114           HA       THR 114  29.542   8.951   5.525
  837    HB   THR 114           HB       THR 114  31.480   6.685   6.189
  838    HG1  THR 114           HG1      THR 114  32.173   8.550   7.117
  839   HG21  THR 114          HG21      THR 114  31.165   8.312   3.623
  840   HG22  THR 114          HG22      THR 114  32.552   7.261   4.000
  841   HG23  THR 114          HG23      THR 114  30.941   6.559   3.817
  842    H    VAL 115           H        VAL 115  29.100   5.700   7.025
  843    HA   VAL 115           HA       VAL 115  28.229   4.497   4.554
  844    HB   VAL 115           HB       VAL 115  28.035   3.690   7.506
  845   HG11  VAL 115          HG11      VAL 115  26.098   2.589   6.474
  846   HG12  VAL 115          HG12      VAL 115  27.103   2.032   5.114
  847   HG13  VAL 115          HG13      VAL 115  27.378   1.405   6.748
  848   HG21  VAL 115          HG21      VAL 115  29.526   2.436   5.192
  849   HG22  VAL 115          HG22      VAL 115  30.274   3.605   6.287
  850   HG23  VAL 115          HG23      VAL 115  29.720   2.034   6.908
  851    H    ARG 116           H        ARG 116  26.551   5.688   7.469
  852    HA   ARG 116           HA       ARG 116  23.871   5.596   6.759
  853    HB2  ARG 116           HB2      ARG 116  24.750   6.367   8.865
  854    HB3  ARG 116           HB3      ARG 116  25.633   7.667   8.097
  855    HG2  ARG 116           HG2      ARG 116  23.389   8.748   7.523
  856    HG3  ARG 116           HG3      ARG 116  22.665   7.511   8.588
  857    HD2  ARG 116           HD2      ARG 116  23.097   9.094  10.176
  858    HD3  ARG 116           HD3      ARG 116  24.696   8.263  10.164
  859    HE   ARG 116           HE       ARG 116  24.628  10.418   8.252
  860   HH11  ARG 116          HH11      ARG 116  24.749  10.002  11.789
  861   HH12  ARG 116          HH12      ARG 116  25.934  11.250  12.041
  862   HH21  ARG 116          HH21      ARG 116  25.968  12.267   8.626
  863   HH22  ARG 116          HH22      ARG 116  26.437  12.681  10.232
  864    H    GLY 117           H        GLY 117  26.140   8.333   5.809
  865    HA2  GLY 117           HA2      GLY 117  24.102   9.610   4.316
  866    HA3  GLY 117           HA3      GLY 117  25.852   9.874   4.098
  867    H    GLN 118           H        GLN 118  26.597   7.251   3.226
  868    HA   GLN 118           HA       GLN 118  25.913   7.424   0.478
  869    HB2  GLN 118           HB2      GLN 118  27.124   5.122   2.070
  870    HB3  GLN 118           HB3      GLN 118  27.082   5.218   0.298
  871    HG2  GLN 118           HG2      GLN 118  28.360   7.321   0.357
  872    HG3  GLN 118           HG3      GLN 118  28.409   7.280   2.101
  873   HE21  GLN 118          HE22      GLN 118  30.698   7.189   0.100
  874   HE22  GLN 118          HE21      GLN 118  31.600   5.763   0.556
  875    H    VAL 119           H        VAL 119  24.710   5.367   3.097
  876    HA   VAL 119           HA       VAL 119  22.903   3.809   1.528
  877    HB   VAL 119           HB       VAL 119  22.979   4.612   4.488
  878   HG11  VAL 119          HG11      VAL 119  21.053   2.648   3.205
  879   HG12  VAL 119          HG12      VAL 119  21.361   2.837   4.953
  880   HG13  VAL 119          HG13      VAL 119  20.628   4.164   4.039
  881   HG21  VAL 119          HG21      VAL 119  23.414   1.898   3.110
  882   HG22  VAL 119          HG22      VAL 119  24.739   2.980   3.542
  883   HG23  VAL 119          HG23      VAL 119  23.725   2.297   4.816
  884    H    LYS 120           H        LYS 120  22.603   7.053   3.138
  885    HA   LYS 120           HA       LYS 120  19.832   7.281   2.874
  886    HB2  LYS 120           HB2      LYS 120  20.046   9.343   3.734
  887    HB3  LYS 120           HB3      LYS 120  21.635   8.758   4.098
  888    HG2  LYS 120           HG2      LYS 120  22.503  10.556   3.192
  889    HG3  LYS 120           HG3      LYS 120  22.034  10.034   1.619
  890    HD2  LYS 120           HD2      LYS 120  20.406  11.777   3.519
  891    HD3  LYS 120           HD3      LYS 120  21.275  12.307   2.073
  892    HE2  LYS 120           HE2      LYS 120  19.731  10.896   0.665
  893    HE3  LYS 120           HE3      LYS 120  18.816  10.466   2.117
  894    HZ1  LYS 120           HZ1      LYS 120  17.808  12.319   0.907
  895    HZ2  LYS 120           HZ2      LYS 120  18.285  12.837   2.394
  896    HZ3  LYS 120           HZ3      LYS 120  19.154  13.232   1.060
  897    H    GLU 121           H        GLU 121  22.356   8.137   0.516
  898    HA   GLU 121           HA       GLU 121  20.530   9.129  -1.452
  899    HB2  GLU 121           HB2      GLU 121  23.307   7.883  -1.796
  900    HB3  GLU 121           HB3      GLU 121  22.426   8.785  -3.034
  901    HG2  GLU 121           HG2      GLU 121  22.422  10.780  -1.483
  902    HG3  GLU 121           HG3      GLU 121  23.459   9.869  -0.383
  903    H    ARG 122           H        ARG 122  21.832   5.844  -0.787
  904    HA   ARG 122           HA       ARG 122  20.723   4.610  -3.144
  905    HB2  ARG 122           HB2      ARG 122  21.329   3.399  -0.411
  906    HB3  ARG 122           HB3      ARG 122  21.001   2.507  -1.882
  907    HG2  ARG 122           HG2      ARG 122  23.323   4.434  -1.856
  908    HG3  ARG 122           HG3      ARG 122  23.460   2.876  -1.043
  909    HD2  ARG 122           HD2      ARG 122  24.352   2.621  -3.205
  910    HD3  ARG 122           HD3      ARG 122  22.825   1.742  -3.162
  911    HE   ARG 122           HE       ARG 122  23.144   4.516  -4.288
  912   HH11  ARG 122          HH11      ARG 122  22.068   1.164  -4.825
  913   HH12  ARG 122          HH12      ARG 122  21.501   1.467  -6.431
  914   HH21  ARG 122          HH21      ARG 122  22.344   4.913  -6.398
  915   HH22  ARG 122          HH22      ARG 122  21.627   3.650  -7.325
  916    H    VAL 123           H        VAL 123  19.486   4.847   0.239
  917    HA   VAL 123           HA       VAL 123  17.018   3.603  -0.155
  918    HB   VAL 123           HB       VAL 123  17.938   5.880   1.666
  919   HG11  VAL 123          HG11      VAL 123  16.024   5.231   3.104
  920   HG12  VAL 123          HG12      VAL 123  15.567   6.054   1.620
  921   HG13  VAL 123          HG13      VAL 123  15.376   4.285   1.745
  922   HG21  VAL 123          HG21      VAL 123  17.422   2.943   2.341
  923   HG22  VAL 123          HG22      VAL 123  19.042   3.602   1.996
  924   HG23  VAL 123          HG23      VAL 123  18.131   4.184   3.386
  925    H    GLU 124           H        GLU 124  17.874   7.073  -0.495
  926    HA   GLU 124           HA       GLU 124  15.253   7.784  -1.248
  927    HB2  GLU 124           HB2      GLU 124  16.891   9.194  -0.277
  928    HB3  GLU 124           HB3      GLU 124  17.904   9.135  -1.755
  929    HG2  GLU 124           HG2      GLU 124  16.097  10.188  -3.022
  930    HG3  GLU 124           HG3      GLU 124  15.041  10.161  -1.581
  931    H    ASN 125           H        ASN 125  17.992   6.660  -3.214
  932    HA   ASN 125           HA       ASN 125  16.828   7.178  -5.760
  933    HB2  ASN 125           HB2      ASN 125  18.956   5.311  -4.764
  934    HB3  ASN 125           HB3      ASN 125  18.217   4.934  -6.309
  935   HD21  ASN 125          HD22      ASN 125  19.888   7.580  -4.564
  936   HD22  ASN 125          HD21      ASN 125  20.499   8.375  -6.012
  937    H    LEU 126           H        LEU 126  16.668   4.299  -3.642
  938    HA   LEU 126           HA       LEU 126  14.945   2.752  -5.339
  939    HB2  LEU 126           HB2      LEU 126  15.806   1.402  -3.846
  940    HB3  LEU 126           HB3      LEU 126  15.968   2.657  -2.594
  941    HG   LEU 126           HG       LEU 126  13.216   1.619  -2.992
  942   HD11  LEU 126          HD11      LEU 126  15.494  -0.041  -1.976
  943   HD12  LEU 126          HD12      LEU 126  13.816  -0.419  -1.571
  944   HD13  LEU 126          HD13      LEU 126  14.344  -0.459  -3.269
  945   HD21  LEU 126          HD21      LEU 126  14.872   1.868  -0.459
  946   HD22  LEU 126          HD22      LEU 126  13.925   3.206  -1.140
  947   HD23  LEU 126          HD23      LEU 126  13.104   1.729  -0.596
  948    H    ILE 127           H        ILE 127  14.266   5.086  -2.808
  949    HA   ILE 127           HA       ILE 127  11.395   4.872  -2.923
  950    HB   ILE 127           HB       ILE 127  13.474   6.793  -1.950
  951   HG12  ILE 127          HG12      ILE 127  11.109   5.834  -0.348
  952   HG13  ILE 127          HG13      ILE 127  12.181   4.560  -0.927
  953   HG21  ILE 127          HG21      ILE 127  11.976   8.441  -2.728
  954   HG22  ILE 127          HG22      ILE 127  10.571   7.611  -2.024
  955   HG23  ILE 127          HG23      ILE 127  11.816   8.317  -0.973
  956   HD11  ILE 127          HD11      ILE 127  13.864   5.146   0.356
  957   HD12  ILE 127          HD12      ILE 127  13.623   6.902   0.266
  958   HD13  ILE 127          HD13      ILE 127  12.609   5.890   1.366
  959    H    ALA 128           H        ALA 128  13.752   6.961  -4.745
  960    HA   ALA 128           HA       ALA 128  11.781   8.508  -5.987
  961    HB1  ALA 128           HB1      ALA 128  13.528   9.145  -7.597
  962    HB2  ALA 128           HB2      ALA 128  14.204   9.091  -5.961
  963    HB3  ALA 128           HB3      ALA 128  14.524   7.763  -7.105
  964    H    LYS 129           H        LYS 129  12.956   5.286  -6.912
  965    HA   LYS 129           HA       LYS 129  11.425   5.397  -9.365
  966    HB2  LYS 129           HB2      LYS 129  12.055   3.014  -9.639
  967    HB3  LYS 129           HB3      LYS 129  13.362   4.211  -9.595
  968    HG2  LYS 129           HG2      LYS 129  13.636   3.540  -7.126
  969    HG3  LYS 129           HG3      LYS 129  12.641   2.128  -7.511
  970    HD2  LYS 129           HD2      LYS 129  15.328   2.992  -8.655
  971    HD3  LYS 129           HD3      LYS 129  15.007   1.601  -7.606
  972    HE2  LYS 129           HE2      LYS 129  13.668   0.537  -9.371
  973    HE3  LYS 129           HE3      LYS 129  13.876   1.930 -10.429
  974    HZ1  LYS 129           HZ1      LYS 129  16.250   1.471 -10.534
  975    HZ2  LYS 129           HZ2      LYS 129  16.110   0.177  -9.536
  976    HZ3  LYS 129           HZ3      LYS 129  15.415   0.160 -11.016
  977    H    ILE 130           H        ILE 130  10.838   4.026  -6.087
  978    HA   ILE 130           HA       ILE 130   8.420   2.793  -7.136
  979    HB   ILE 130           HB       ILE 130   8.234   1.822  -4.937
  980   HG12  ILE 130          HG12      ILE 130  10.501   3.439  -4.106
  981   HG13  ILE 130          HG13      ILE 130   9.002   3.087  -3.308
  982   HG21  ILE 130          HG21      ILE 130   9.846   0.119  -5.353
  983   HG22  ILE 130          HG22      ILE 130   9.397   0.787  -6.910
  984   HG23  ILE 130          HG23      ILE 130  10.942   1.275  -6.177
  985   HD11  ILE 130          HD11      ILE 130  11.277   1.098  -3.693
  986   HD12  ILE 130          HD12      ILE 130  10.847   1.930  -2.185
  987   HD13  ILE 130          HD13      ILE 130   9.735   0.741  -2.910
  988    H    SER 131           H        SER 131   9.125   5.383  -4.787
  989    HA   SER 131           HA       SER 131   6.464   5.425  -3.785
  990    HB2  SER 131           HB2      SER 131   8.753   7.399  -3.500
  991    HB3  SER 131           HB3      SER 131   7.306   7.319  -2.488
  992    HG   SER 131           HG       SER 131   8.898   6.108  -1.428
  Start of MODEL   20
    1    H    MET   1           H        MET   1   1.539  -0.672   1.087
    2    HA   MET   1           HA       MET   1   1.472   0.480  -1.639
    3    HB2  MET   1           HB2      MET   1   3.445   1.066   0.634
    4    HB3  MET   1           HB3      MET   1   3.430   1.805  -0.959
    5    HG2  MET   1           HG2      MET   1   1.447   2.221   1.276
    6    HG3  MET   1           HG3      MET   1   2.582   3.377   0.607
    7    HE1  MET   1           HE1      MET   1   0.949   4.506  -2.743
    8    HE2  MET   1           HE2      MET   1   2.099   4.938  -1.462
    9    HE3  MET   1           HE3      MET   1   2.358   3.467  -2.433
   10    H    LYS   2           H        LYS   2   3.885   0.286  -2.663
   11    HA   LYS   2           HA       LYS   2   4.617  -2.490  -2.730
   12    HB2  LYS   2           HB2      LYS   2   6.757  -1.755  -3.837
   13    HB3  LYS   2           HB3      LYS   2   5.272  -1.271  -4.674
   14    HG2  LYS   2           HG2      LYS   2   7.056   0.400  -2.985
   15    HG3  LYS   2           HG3      LYS   2   7.169   0.242  -4.723
   16    HD2  LYS   2           HD2      LYS   2   4.799   1.070  -4.975
   17    HD3  LYS   2           HD3      LYS   2   4.817   1.549  -3.262
   18    HE2  LYS   2           HE2      LYS   2   6.538   3.160  -3.599
   19    HE3  LYS   2           HE3      LYS   2   6.918   2.475  -5.210
   20    HZ1  LYS   2           HZ1      LYS   2   4.709   3.293  -5.950
   21    HZ2  LYS   2           HZ2      LYS   2   4.420   3.954  -4.467
   22    HZ3  LYS   2           HZ3      LYS   2   5.610   4.541  -5.423
   23    H    LYS   3           H        LYS   3   6.214  -3.624  -1.641
   24    HA   LYS   3           HA       LYS   3   6.942  -2.336   0.960
   25    HB2  LYS   3           HB2      LYS   3   6.541  -5.291   0.553
   26    HB3  LYS   3           HB3      LYS   3   6.593  -4.374   2.053
   27    HG2  LYS   3           HG2      LYS   3   4.390  -3.335   1.402
   28    HG3  LYS   3           HG3      LYS   3   4.388  -4.316  -0.056
   29    HD2  LYS   3           HD2      LYS   3   2.936  -5.119   1.841
   30    HD3  LYS   3           HD3      LYS   3   3.985  -6.302   1.077
   31    HE2  LYS   3           HE2      LYS   3   5.586  -6.177   2.940
   32    HE3  LYS   3           HE3      LYS   3   4.629  -4.886   3.703
   33    HZ1  LYS   3           HZ1      LYS   3   2.793  -6.531   3.912
   34    HZ2  LYS   3           HZ2      LYS   3   3.774  -7.713   3.312
   35    HZ3  LYS   3           HZ3      LYS   3   4.138  -6.997   4.724
   36    H    VAL   4           H        VAL   4   8.983  -2.568   1.753
   37    HA   VAL   4           HA       VAL   4  10.945  -3.727  -0.139
   38    HB   VAL   4           HB       VAL   4  11.426  -1.360   1.665
   39   HG11  VAL   4          HG11      VAL   4  13.507  -2.386   0.996
   40   HG12  VAL   4          HG12      VAL   4  12.963  -2.621  -0.650
   41   HG13  VAL   4          HG13      VAL   4  13.305  -0.982  -0.028
   42   HG21  VAL   4          HG21      VAL   4  10.456  -1.350  -1.230
   43   HG22  VAL   4          HG22      VAL   4   9.727  -0.552   0.172
   44   HG23  VAL   4          HG23      VAL   4  11.257   0.044  -0.476
   45    H    MET   5           H        MET   5  12.968  -4.498   0.870
   46    HA   MET   5           HA       MET   5  12.749  -5.142   3.749
   47    HB2  MET   5           HB2      MET   5  11.863  -7.023   2.351
   48    HB3  MET   5           HB3      MET   5  13.430  -7.065   1.507
   49    HG2  MET   5           HG2      MET   5  13.283  -8.796   3.272
   50    HG3  MET   5           HG3      MET   5  14.587  -7.639   3.558
   51    HE1  MET   5           HE1      MET   5  10.688  -8.073   6.007
   52    HE2  MET   5           HE2      MET   5  10.656  -7.615   4.291
   53    HE3  MET   5           HE3      MET   5  11.282  -9.207   4.771
   54    H    PHE   6           H        PHE   6  14.720  -4.790   4.702
   55    HA   PHE   6           HA       PHE   6  17.038  -4.314   2.931
   56    HB2  PHE   6           HB2      PHE   6  16.350  -3.079   5.591
   57    HB3  PHE   6           HB3      PHE   6  17.910  -2.895   4.776
   58    HD1  PHE   6           HD1      PHE   6  14.299  -2.144   4.593
   59    HD2  PHE   6           HD2      PHE   6  18.115  -1.560   2.702
   60    HE1  PHE   6           HE1      PHE   6  13.250  -0.672   2.957
   61    HE2  PHE   6           HE2      PHE   6  17.083   0.085   1.166
   62    HZ   PHE   6           HZ       PHE   6  14.656   0.574   1.288
   63    H    VAL   7           H        VAL   7  18.475  -6.093   3.095
   64    HA   VAL   7           HA       VAL   7  18.092  -7.925   5.403
   65    HB   VAL   7           HB       VAL   7  19.756  -8.537   2.957
   66   HG11  VAL   7          HG11      VAL   7  18.138 -10.359   4.759
   67   HG12  VAL   7          HG12      VAL   7  19.180 -10.818   3.395
   68   HG13  VAL   7          HG13      VAL   7  19.893 -10.110   4.843
   69   HG21  VAL   7          HG21      VAL   7  17.567  -7.813   2.009
   70   HG22  VAL   7          HG22      VAL   7  17.721  -9.571   1.926
   71   HG23  VAL   7          HG23      VAL   7  16.733  -8.814   3.198
   72    H    CYS   8           H        CYS   8  19.675  -8.331   6.903
   73    HA   CYS   8           HA       CYS   8  22.018  -6.521   6.855
   74    HB2  CYS   8           HB2      CYS   8  20.754  -8.085   9.142
   75    HB3  CYS   8           HB3      CYS   8  21.851  -6.712   9.283
   76    HG   CYS   8           HG       CYS   8  19.053  -6.591   9.819
   77    H    LYS   9           H        LYS   9  24.108  -7.195   7.497
   78    HA   LYS   9           HA       LYS   9  24.667  -9.893   8.446
   79    HB2  LYS   9           HB2      LYS   9  25.708  -8.854   5.758
   80    HB3  LYS   9           HB3      LYS   9  26.715  -9.908   6.735
   81    HG2  LYS   9           HG2      LYS   9  23.979 -10.683   5.667
   82    HG3  LYS   9           HG3      LYS   9  25.534 -11.114   4.967
   83    HD2  LYS   9           HD2      LYS   9  26.148 -12.300   7.097
   84    HD3  LYS   9           HD3      LYS   9  24.508 -11.975   7.708
   85    HE2  LYS   9           HE2      LYS   9  23.532 -13.204   5.794
   86    HE3  LYS   9           HE3      LYS   9  25.151 -13.514   5.153
   87    HZ1  LYS   9           HZ1      LYS   9  24.133 -14.538   7.757
   88    HZ2  LYS   9           HZ2      LYS   9  24.324 -15.416   6.400
   89    HZ3  LYS   9           HZ3      LYS   9  25.636 -14.810   7.158
   90    H    ARG  10           H        ARG  10  26.584  -9.811   9.723
   91    HA   ARG  10           HA       ARG  10  27.849  -8.831  11.302
   92    HB2  ARG  10           HB2      ARG  10  29.384  -8.413   9.406
   93    HB3  ARG  10           HB3      ARG  10  28.639  -6.848   9.085
   94    HG2  ARG  10           HG2      ARG  10  29.610  -5.816  10.861
   95    HG3  ARG  10           HG3      ARG  10  29.803  -7.303  11.831
   96    HD2  ARG  10           HD2      ARG  10  31.386  -6.700   9.332
   97    HD3  ARG  10           HD3      ARG  10  31.882  -6.165  10.957
   98    HE   ARG  10           HE       ARG  10  31.451  -8.935  11.120
   99   HH11  ARG  10          HH22      ARG  10  33.560  -6.688   9.339
  100   HH12  ARG  10          HH21      ARG  10  34.928  -7.763   9.317
  101   HH21  ARG  10          HH11      ARG  10  33.260 -10.398  11.049
  102   HH22  ARG  10          HH12      ARG  10  34.736  -9.926  10.295
  103    H    ASN  11           H        ASN  11  28.284  -6.263  12.198
  104    HA   ASN  11           HA       ASN  11  26.036  -5.825  13.739
  105    HB2  ASN  11           HB2      ASN  11  28.418  -4.996  14.099
  106    HB3  ASN  11           HB3      ASN  11  28.047  -3.660  12.999
  107   HD21  ASN  11          HD22      ASN  11  28.783  -2.758  15.283
  108   HD22  ASN  11          HD21      ASN  11  27.477  -2.335  16.383
  109    H    SER  12           H        SER  12  24.104  -5.526  12.948
  110    HA   SER  12           HA       SER  12  23.477  -4.785  10.389
  111    HB2  SER  12           HB2      SER  12  21.640  -4.881  12.805
  112    HB3  SER  12           HB3      SER  12  21.220  -5.232  11.119
  113    HG   SER  12           HG       SER  12  23.036  -6.890  11.300
  114    H    CYS  13           H        CYS  13  24.360  -2.451  12.572
  115    HA   CYS  13           HA       CYS  13  22.810  -0.252  12.411
  116    HB2  CYS  13           HB2      CYS  13  25.761  -0.246  11.591
  117    HB3  CYS  13           HB3      CYS  13  24.881   1.043  12.418
  118    HG   CYS  13           HG       CYS  13  26.701  -0.352  13.899
  119    H    ARG  14           H        ARG  14  24.781  -1.469   9.659
  120    HA   ARG  14           HA       ARG  14  24.251   0.869   8.020
  121    HB2  ARG  14           HB2      ARG  14  25.334  -0.389   6.179
  122    HB3  ARG  14           HB3      ARG  14  26.267  -0.406   7.668
  123    HG2  ARG  14           HG2      ARG  14  25.529  -2.737   8.136
  124    HG3  ARG  14           HG3      ARG  14  24.659  -2.754   6.592
  125    HD2  ARG  14           HD2      ARG  14  26.725  -2.508   5.341
  126    HD3  ARG  14           HD3      ARG  14  27.666  -2.228   6.808
  127    HE   ARG  14           HE       ARG  14  26.385  -4.695   7.187
  128   HH11  ARG  14          HH11      ARG  14  28.834  -3.361   4.941
  129   HH12  ARG  14          HH12      ARG  14  29.553  -4.898   4.617
  130   HH21  ARG  14          HH21      ARG  14  27.410  -6.669   6.852
  131   HH22  ARG  14          HH22      ARG  14  28.756  -6.825   5.762
  132    H    SER  15           H        SER  15  22.774  -2.366   8.150
  133    HA   SER  15           HA       SER  15  21.087  -1.827   5.838
  134    HB2  SER  15           HB2      SER  15  20.414  -4.276   6.634
  135    HB3  SER  15           HB3      SER  15  21.969  -3.934   5.870
  136    HG   SER  15           HG       SER  15  21.506  -4.324   8.656
  137    H    GLN  16           H        GLN  16  20.657  -2.124   9.397
  138    HA   GLN  16           HA       GLN  16  17.787  -1.805   9.166
  139    HB2  GLN  16           HB2      GLN  16  17.744  -2.061  11.411
  140    HB3  GLN  16           HB3      GLN  16  19.238  -2.903  11.016
  141    HG2  GLN  16           HG2      GLN  16  20.594  -0.987  11.720
  142    HG3  GLN  16           HG3      GLN  16  19.151  -0.022  12.030
  143   HE21  GLN  16          HE22      GLN  16  17.689  -0.656  13.737
  144   HE22  GLN  16          HE21      GLN  16  18.331  -1.484  15.144
  145    H    MET  17           H        MET  17  20.593   0.445   9.517
  146    HA   MET  17           HA       MET  17  19.064   2.828   9.759
  147    HB2  MET  17           HB2      MET  17  21.509   2.829   9.994
  148    HB3  MET  17           HB3      MET  17  21.646   2.271   8.285
  149    HG2  MET  17           HG2      MET  17  22.196   4.569   8.364
  150    HG3  MET  17           HG3      MET  17  20.703   4.392   7.480
  151    HE1  MET  17           HE1      MET  17  18.246   6.369  10.096
  152    HE2  MET  17           HE2      MET  17  18.330   5.923   8.388
  153    HE3  MET  17           HE3      MET  17  18.218   4.647   9.640
  154    H    ALA  18           H        ALA  18  20.003   0.856   6.905
  155    HA   ALA  18           HA       ALA  18  19.066   2.717   5.014
  156    HB1  ALA  18           HB1      ALA  18  20.496   0.611   4.695
  157    HB2  ALA  18           HB2      ALA  18  18.982  -0.316   4.718
  158    HB3  ALA  18           HB3      ALA  18  19.245   0.894   3.446
  159    H    GLU  19           H        GLU  19  17.324   0.092   6.755
  160    HA   GLU  19           HA       GLU  19  14.775   0.691   5.630
  161    HB2  GLU  19           HB2      GLU  19  15.365  -1.329   7.006
  162    HB3  GLU  19           HB3      GLU  19  15.381  -0.294   8.429
  163    HG2  GLU  19           HG2      GLU  19  12.903   0.306   7.291
  164    HG3  GLU  19           HG3      GLU  19  13.099  -1.379   6.894
  165    H    GLY  20           H        GLY  20  16.585   2.314   8.376
  166    HA2  GLY  20           HA2      GLY  20  14.230   3.659   9.337
  167    HA3  GLY  20           HA3      GLY  20  15.921   4.042   9.711
  168    H    PHE  21           H        PHE  21  16.925   4.598   7.143
  169    HA   PHE  21           HA       PHE  21  15.891   7.250   6.537
  170    HB2  PHE  21           HB2      PHE  21  17.844   5.340   5.202
  171    HB3  PHE  21           HB3      PHE  21  17.305   6.800   4.380
  172    HD1  PHE  21           HD2      PHE  21  17.312   8.955   6.293
  173    HD2  PHE  21           HD1      PHE  21  20.099   5.679   5.839
  174    HE1  PHE  21           HE2      PHE  21  19.105  10.322   7.286
  175    HE2  PHE  21           HE1      PHE  21  21.853   7.038   6.785
  176    HZ   PHE  21           HZ       PHE  21  21.380   9.397   7.548
  177    H    ALA  22           H        ALA  22  15.408   3.943   5.094
  178    HA   ALA  22           HA       ALA  22  13.883   4.980   2.912
  179    HB1  ALA  22           HB1      ALA  22  14.958   2.791   2.832
  180    HB2  ALA  22           HB2      ALA  22  13.955   2.221   4.168
  181    HB3  ALA  22           HB3      ALA  22  13.203   2.612   2.598
  182    H    LYS  23           H        LYS  23  12.734   3.792   6.156
  183    HA   LYS  23           HA       LYS  23  10.007   4.269   5.409
  184    HB2  LYS  23           HB2      LYS  23   9.412   3.565   7.499
  185    HB3  LYS  23           HB3      LYS  23  10.957   2.747   7.271
  186    HG2  LYS  23           HG2      LYS  23  12.055   4.516   8.669
  187    HG3  LYS  23           HG3      LYS  23  10.468   5.261   8.922
  188    HD2  LYS  23           HD2      LYS  23   9.684   3.018   9.885
  189    HD3  LYS  23           HD3      LYS  23  11.360   2.483   9.773
  190    HE2  LYS  23           HE2      LYS  23  11.076   3.158  12.011
  191    HE3  LYS  23           HE3      LYS  23  12.007   4.458  11.261
  192    HZ1  LYS  23           HZ1      LYS  23  10.197   5.283  12.681
  193    HZ2  LYS  23           HZ2      LYS  23   9.920   5.758  11.147
  194    HZ3  LYS  23           HZ3      LYS  23   9.068   4.515  11.795
  195    H    THR  24           H        THR  24  12.496   6.399   6.486
  196    HA   THR  24           HA       THR  24  10.797   8.627   7.234
  197    HB   THR  24           HB       THR  24  13.700   7.969   6.793
  198    HG1  THR  24           HG1      THR  24  13.082   7.531   8.771
  199   HG21  THR  24          HG21      THR  24  13.701  10.110   5.773
  200   HG22  THR  24          HG22      THR  24  12.824  10.822   7.166
  201   HG23  THR  24          HG23      THR  24  14.474  10.164   7.358
  202    H    LEU  25           H        LEU  25  12.847   7.826   4.418
  203    HA   LEU  25           HA       LEU  25  12.113  10.211   3.000
  204    HB2  LEU  25           HB2      LEU  25  13.830   7.809   2.410
  205    HB3  LEU  25           HB3      LEU  25  13.593   9.098   1.217
  206    HG   LEU  25           HG       LEU  25  14.799   9.469   3.969
  207   HD11  LEU  25          HD11      LEU  25  16.098   9.316   1.210
  208   HD12  LEU  25          HD12      LEU  25  16.954   9.695   2.727
  209   HD13  LEU  25          HD13      LEU  25  16.252   8.092   2.490
  210   HD21  LEU  25          HD21      LEU  25  13.804  11.570   3.147
  211   HD22  LEU  25          HD22      LEU  25  15.560  11.664   3.066
  212   HD23  LEU  25          HD23      LEU  25  14.626  11.369   1.582
  213    H    GLY  26           H        GLY  26  11.141   6.836   2.928
  214    HA2  GLY  26           HA2      GLY  26   9.538   7.089   0.447
  215    HA3  GLY  26           HA3      GLY  26  10.003   5.616   1.325
  216    H    ALA  27           H        ALA  27   8.917   8.192   3.354
  217    HA   ALA  27           HA       ALA  27   6.934   6.614   4.567
  218    HB1  ALA  27           HB1      ALA  27   7.297   9.654   4.645
  219    HB2  ALA  27           HB2      ALA  27   6.408   8.670   5.829
  220    HB3  ALA  27           HB3      ALA  27   8.166   8.501   5.672
  221    H    GLY  28           H        GLY  28   4.926   6.119   3.928
  222    HA2  GLY  28           HA2      GLY  28   2.787   6.428   3.109
  223    HA3  GLY  28           HA3      GLY  28   3.199   8.111   2.705
  224    H    LYS  29           H        LYS  29   5.513   6.032   1.351
  225    HA   LYS  29           HA       LYS  29   4.136   5.995  -1.265
  226    HB2  LYS  29           HB2      LYS  29   7.027   6.458  -0.527
  227    HB3  LYS  29           HB3      LYS  29   6.445   6.267  -2.181
  228    HG2  LYS  29           HG2      LYS  29   5.470   8.428  -0.273
  229    HG3  LYS  29           HG3      LYS  29   6.827   8.658  -1.380
  230    HD2  LYS  29           HD2      LYS  29   5.308   8.219  -3.316
  231    HD3  LYS  29           HD3      LYS  29   3.941   8.045  -2.194
  232    HE2  LYS  29           HE2      LYS  29   4.332  10.362  -1.360
  233    HE3  LYS  29           HE3      LYS  29   5.671  10.544  -2.502
  234    HZ1  LYS  29           HZ1      LYS  29   2.834  10.092  -3.262
  235    HZ2  LYS  29           HZ2      LYS  29   3.632  11.511  -3.356
  236    HZ3  LYS  29           HZ3      LYS  29   4.076  10.274  -4.318
  237    H    ILE  30           H        ILE  30   6.266   4.392   1.078
  238    HA   ILE  30           HA       ILE  30   5.700   1.789  -0.199
  239    HB   ILE  30           HB       ILE  30   8.060   1.132   0.220
  240   HG12  ILE  30          HG12      ILE  30   8.835   4.053   0.368
  241   HG13  ILE  30          HG13      ILE  30   8.496   3.165   1.849
  242   HG21  ILE  30          HG21      ILE  30   8.128   3.477  -1.699
  243   HG22  ILE  30          HG22      ILE  30   8.761   1.810  -1.863
  244   HG23  ILE  30          HG23      ILE  30   7.024   2.115  -1.946
  245   HD11  ILE  30          HD11      ILE  30  10.213   1.497   1.284
  246   HD12  ILE  30          HD12      ILE  30  10.648   2.458  -0.171
  247   HD13  ILE  30          HD13      ILE  30  10.865   3.137   1.454
  248    H    ALA  31           H        ALA  31   6.207   0.037   1.184
  249    HA   ALA  31           HA       ALA  31   6.009   0.664   4.134
  250    HB1  ALA  31           HB1      ALA  31   5.460  -1.981   2.724
  251    HB2  ALA  31           HB2      ALA  31   5.204  -1.623   4.438
  252    HB3  ALA  31           HB3      ALA  31   4.187  -0.835   3.213
  253    H    VAL  32           H        VAL  32   7.760  -0.112   5.393
  254    HA   VAL  32           HA       VAL  32  10.057  -1.211   3.907
  255    HB   VAL  32           HB       VAL  32  10.205   0.881   6.068
  256   HG11  VAL  32          HG11      VAL  32  12.241  -0.295   4.999
  257   HG12  VAL  32          HG12      VAL  32  11.889   0.783   3.605
  258   HG13  VAL  32          HG13      VAL  32  12.234   1.459   5.220
  259   HG21  VAL  32          HG21      VAL  32   8.750   2.152   4.732
  260   HG22  VAL  32          HG22      VAL  32  10.335   2.623   4.094
  261   HG23  VAL  32          HG23      VAL  32   9.369   1.445   3.232
  262    H    THR  33           H        THR  33  11.206  -2.853   4.946
  263    HA   THR  33           HA       THR  33  10.960  -3.268   7.880
  264    HB   THR  33           HB       THR  33  10.557  -5.448   5.886
  265    HG1  THR  33           HG1      THR  33   8.514  -3.934   7.158
  266   HG21  THR  33          HG21      THR  33   9.369  -6.591   7.796
  267   HG22  THR  33          HG22      THR  33  11.093  -6.359   8.048
  268   HG23  THR  33          HG23      THR  33   9.933  -5.284   8.859
  269    H    SER  34           H        SER  34  12.699  -4.864   8.647
  270    HA   SER  34           HA       SER  34  14.961  -5.187   6.761
  271    HB2  SER  34           HB2      SER  34  16.514  -4.762   8.675
  272    HB3  SER  34           HB3      SER  34  15.733  -3.374   7.917
  273    HG   SER  34           HG       SER  34  14.306  -3.211   9.625
  274    H    CYS  35           H        CYS  35  16.458  -7.038   7.470
  275    HA   CYS  35           HA       CYS  35  15.277  -8.906   9.391
  276    HB2  CYS  35           HB2      CYS  35  15.150 -10.758   7.698
  277    HB3  CYS  35           HB3      CYS  35  13.962  -9.469   7.405
  278    HG   CYS  35           HG       CYS  35  15.292  -8.201   5.631
  279    H    GLY  36           H        GLY  36  16.628 -10.442  10.139
  280    HA2  GLY  36           HA2      GLY  36  18.698 -11.476  10.560
  281    HA3  GLY  36           HA3      GLY  36  19.443 -10.594   9.204
  282    H    LEU  37           H        LEU  37  20.080 -10.641  12.347
  283    HA   LEU  37           HA       LEU  37  20.541  -7.825  12.464
  284    HB2  LEU  37           HB2      LEU  37  18.015  -8.230  13.172
  285    HB3  LEU  37           HB3      LEU  37  18.710  -8.868  14.646
  286    HG   LEU  37           HG       LEU  37  20.112  -6.414  14.057
  287   HD11  LEU  37          HD11      LEU  37  18.262  -4.761  13.959
  288   HD12  LEU  37          HD12      LEU  37  18.274  -5.803  12.531
  289   HD13  LEU  37          HD13      LEU  37  17.088  -6.082  13.816
  290   HD21  LEU  37          HD21      LEU  37  17.984  -7.020  16.138
  291   HD22  LEU  37          HD22      LEU  37  19.736  -7.265  16.275
  292   HD23  LEU  37          HD23      LEU  37  19.074  -5.622  16.144
  293    H    GLU  38           H        GLU  38  22.645  -7.965  13.347
  294    HA   GLU  38           HA       GLU  38  23.698 -10.374  14.038
  295    HB2  GLU  38           HB2      GLU  38  24.708  -7.866  13.713
  296    HB3  GLU  38           HB3      GLU  38  24.967  -8.099  15.444
  297    HG2  GLU  38           HG2      GLU  38  25.984  -9.813  13.158
  298    HG3  GLU  38           HG3      GLU  38  26.942  -8.814  14.249
  299    H    SER  39           H        SER  39  23.254 -11.667  15.532
  300    HA   SER  39           HA       SER  39  22.653 -12.694  17.473
  301    HB2  SER  39           HB2      SER  39  24.150 -10.387  18.793
  302    HB3  SER  39           HB3      SER  39  23.729 -11.931  19.553
  303    HG   SER  39           HG       SER  39  25.553 -11.399  17.449
  304    H    SER  40           H        SER  40  20.774 -10.894  16.311
  305    HA   SER  40           HA       SER  40  18.660 -10.334  16.554
  306    HB2  SER  40           HB2      SER  40  18.734 -11.865  19.170
  307    HB3  SER  40           HB3      SER  40  17.330 -11.564  18.138
  308    HG   SER  40           HG       SER  40  18.241 -13.666  17.800
  309    H    ARG  41           H        ARG  41  20.796  -8.658  18.402
  310    HA   ARG  41           HA       ARG  41  18.637  -6.948  19.548
  311    HB2  ARG  41           HB2      ARG  41  21.167  -7.971  20.886
  312    HB3  ARG  41           HB3      ARG  41  20.542  -6.381  21.288
  313    HG2  ARG  41           HG2      ARG  41  19.642  -7.718  22.931
  314    HG3  ARG  41           HG3      ARG  41  18.312  -7.440  21.813
  315    HD2  ARG  41           HD2      ARG  41  18.331  -9.759  22.618
  316    HD3  ARG  41           HD3      ARG  41  18.582  -9.686  20.889
  317    HE   ARG  41           HE       ARG  41  20.697 -10.525  21.077
  318   HH11  ARG  41          HH11      ARG  41  19.541  -9.762  24.367
  319   HH12  ARG  41          HH12      ARG  41  20.817 -10.613  25.158
  320   HH21  ARG  41          HH21      ARG  41  22.367 -11.664  22.129
  321   HH22  ARG  41          HH22      ARG  41  22.470 -11.709  23.853
  322    H    VAL  42           H        VAL  42  19.058  -4.717  19.554
  323    HA   VAL  42           HA       VAL  42  20.587  -3.775  17.292
  324    HB   VAL  42           HB       VAL  42  19.678  -1.633  17.903
  325   HG11  VAL  42          HG11      VAL  42  17.449  -3.631  18.416
  326   HG12  VAL  42          HG12      VAL  42  17.334  -2.010  17.702
  327   HG13  VAL  42          HG13      VAL  42  18.155  -3.309  16.821
  328   HG21  VAL  42          HG21      VAL  42  18.383  -1.169  19.919
  329   HG22  VAL  42          HG22      VAL  42  18.669  -2.807  20.530
  330   HG23  VAL  42          HG23      VAL  42  20.020  -1.658  20.363
  331    H    HIS  43           H        HIS  43  21.790  -1.621  17.701
  332    HA   HIS  43           HA       HIS  43  23.915  -2.079  19.724
  333    HB2  HIS  43           HB2      HIS  43  24.475  -3.073  17.553
  334    HB3  HIS  43           HB3      HIS  43  24.151  -1.556  16.738
  335    HD1  HIS  43           HD1      HIS  43  26.692  -3.002  19.321
  336    HD2  HIS  43           HD2      HIS  43  26.118   0.195  16.646
  337    HE1  HIS  43           HE1      HIS  43  28.891  -1.725  19.253
  338    HA   PRO  44           HA       PRO  44  22.205   1.996  20.387
  339    HB2  PRO  44           HB2      PRO  44  23.814   2.967  22.368
  340    HB3  PRO  44           HB3      PRO  44  22.661   1.617  22.638
  341    HG2  PRO  44           HG2      PRO  44  25.590   1.420  21.838
  342    HG3  PRO  44           HG3      PRO  44  24.812   0.673  23.295
  343    HD2  PRO  44           HD2      PRO  44  25.072  -0.816  21.100
  344    HD3  PRO  44           HD3      PRO  44  23.450  -0.786  21.881
  345    H    THR  45           H        THR  45  25.689   1.615  19.521
  346    HA   THR  45           HA       THR  45  26.170   4.314  19.166
  347    HB   THR  45           HB       THR  45  27.332   2.181  17.336
  348    HG1  THR  45           HG1      THR  45  28.241   1.316  18.974
  349   HG21  THR  45          HG21      THR  45  28.024   4.463  16.765
  350   HG22  THR  45          HG22      THR  45  28.471   4.780  18.454
  351   HG23  THR  45          HG23      THR  45  29.380   3.594  17.481
  352    H    ALA  46           H        ALA  46  24.399   2.013  17.025
  353    HA   ALA  46           HA       ALA  46  24.368   3.821  14.765
  354    HB1  ALA  46           HB1      ALA  46  22.272   1.682  15.341
  355    HB2  ALA  46           HB2      ALA  46  22.772   2.336  13.757
  356    HB3  ALA  46           HB3      ALA  46  23.873   1.303  14.687
  357    H    ILE  47           H        ILE  47  22.192   3.136  17.515
  358    HA   ILE  47           HA       ILE  47  20.082   4.827  16.744
  359    HB   ILE  47           HB       ILE  47  21.051   3.905  19.407
  360   HG12  ILE  47          HG12      ILE  47  18.845   2.777  19.477
  361   HG13  ILE  47          HG13      ILE  47  18.526   3.322  17.827
  362   HG21  ILE  47          HG21      ILE  47  18.962   4.830  20.439
  363   HG22  ILE  47          HG22      ILE  47  20.075   6.087  19.924
  364   HG23  ILE  47          HG23      ILE  47  18.652   5.706  18.927
  365   HD11  ILE  47          HD11      ILE  47  19.160   0.977  18.042
  366   HD12  ILE  47          HD12      ILE  47  20.289   1.874  16.992
  367   HD13  ILE  47          HD13      ILE  47  20.744   1.448  18.672
  368    H    ALA  48           H        ALA  48  22.982   5.582  18.781
  369    HA   ALA  48           HA       ALA  48  22.378   8.317  19.115
  370    HB1  ALA  48           HB1      ALA  48  24.080   7.132  20.443
  371    HB2  ALA  48           HB2      ALA  48  25.118   6.972  18.998
  372    HB3  ALA  48           HB3      ALA  48  24.761   8.581  19.667
  373    H    MET  49           H        MET  49  24.258   6.675  16.584
  374    HA   MET  49           HA       MET  49  25.081   8.969  15.175
  375    HB2  MET  49           HB2      MET  49  24.651   6.086  14.337
  376    HB3  MET  49           HB3      MET  49  25.256   7.288  13.206
  377    HG2  MET  49           HG2      MET  49  26.615   6.901  15.893
  378    HG3  MET  49           HG3      MET  49  26.919   5.830  14.547
  379    HE1  MET  49           HE1      MET  49  28.729   9.843  15.340
  380    HE2  MET  49           HE2      MET  49  26.975   9.747  15.573
  381    HE3  MET  49           HE3      MET  49  28.036   8.600  16.421
  382    H    MET  50           H        MET  50  21.935   7.402  15.170
  383    HA   MET  50           HA       MET  50  21.237   9.086  12.816
  384    HB2  MET  50           HB2      MET  50  19.373   7.094  14.083
  385    HB3  MET  50           HB3      MET  50  19.404   7.769  12.447
  386    HG2  MET  50           HG2      MET  50  20.994   5.595  13.610
  387    HG3  MET  50           HG3      MET  50  20.121   5.642  12.116
  388    HE1  MET  50           HE1      MET  50  24.065   4.885  11.447
  389    HE2  MET  50           HE2      MET  50  23.281   4.640  13.018
  390    HE3  MET  50           HE3      MET  50  22.430   4.153  11.538
  391    H    GLU  51           H        GLU  51  20.743   8.816  16.316
  392    HA   GLU  51           HA       GLU  51  18.687  10.754  16.451
  393    HB2  GLU  51           HB2      GLU  51  19.406   9.231  18.341
  394    HB3  GLU  51           HB3      GLU  51  20.921  10.129  18.453
  395    HG2  GLU  51           HG2      GLU  51  19.477  10.893  20.196
  396    HG3  GLU  51           HG3      GLU  51  19.604  12.196  19.027
  397    H    GLU  52           H        GLU  52  22.238  11.004  16.177
  398    HA   GLU  52           HA       GLU  52  22.205  13.856  16.351
  399    HB2  GLU  52           HB2      GLU  52  24.496  13.849  15.876
  400    HB3  GLU  52           HB3      GLU  52  24.162  12.502  16.967
  401    HG2  GLU  52           HG2      GLU  52  24.884  10.950  15.548
  402    HG3  GLU  52           HG3      GLU  52  24.203  11.741  14.108
  403    H    VAL  53           H        VAL  53  20.689  12.145  14.130
  404    HA   VAL  53           HA       VAL  53  20.988  14.184  11.980
  405    HB   VAL  53           HB       VAL  53  20.367  11.206  11.850
  406   HG11  VAL  53          HG11      VAL  53  18.748  12.186  10.398
  407   HG12  VAL  53          HG12      VAL  53  19.986  13.215   9.629
  408   HG13  VAL  53          HG13      VAL  53  20.023  11.441   9.435
  409   HG21  VAL  53          HG21      VAL  53  22.719  11.760  11.890
  410   HG22  VAL  53          HG22      VAL  53  22.246  11.146  10.295
  411   HG23  VAL  53          HG23      VAL  53  22.509  12.890  10.532
  412    H    GLY  54           H        GLY  54  18.769  12.168  13.948
  413    HA2  GLY  54           HA2      GLY  54  16.757  13.329  14.798
  414    HA3  GLY  54           HA3      GLY  54  16.464  13.906  13.150
  415    H    ILE  55           H        ILE  55  17.660  10.602  13.782
  416    HA   ILE  55           HA       ILE  55  15.010   9.464  13.144
  417    HB   ILE  55           HB       ILE  55  17.589   8.576  11.869
  418   HG12  ILE  55          HG12      ILE  55  15.167  10.095  10.844
  419   HG13  ILE  55          HG13      ILE  55  16.852  10.639  10.895
  420   HG21  ILE  55          HG21      ILE  55  16.138   6.980  10.608
  421   HG22  ILE  55          HG22      ILE  55  16.151   6.625  12.301
  422   HG23  ILE  55          HG23      ILE  55  14.749   7.485  11.584
  423   HD11  ILE  55          HD11      ILE  55  17.398   8.726   9.335
  424   HD12  ILE  55          HD12      ILE  55  15.629   8.540   9.139
  425   HD13  ILE  55          HD13      ILE  55  16.421  10.061   8.663
  426    H    ASP  56           H        ASP  56  14.913   7.117  14.006
  427    HA   ASP  56           HA       ASP  56  16.271   7.154  16.674
  428    HB2  ASP  56           HB2      ASP  56  13.853   7.433  16.610
  429    HB3  ASP  56           HB3      ASP  56  13.674   5.848  15.850
  430    H    ILE  57           H        ILE  57  15.003   4.521  14.525
  431    HA   ILE  57           HA       ILE  57  15.523   2.453  14.232
  432    HB   ILE  57           HB       ILE  57  17.693   1.814  13.512
  433   HG12  ILE  57          HG12      ILE  57  18.781   4.546  14.131
  434   HG13  ILE  57          HG13      ILE  57  19.131   3.093  15.083
  435   HG21  ILE  57          HG21      ILE  57  15.975   3.281  12.172
  436   HG22  ILE  57          HG22      ILE  57  17.208   4.561  12.349
  437   HG23  ILE  57          HG23      ILE  57  17.589   3.030  11.527
  438   HD11  ILE  57          HD11      ILE  57  19.735   3.456  12.102
  439   HD12  ILE  57          HD12      ILE  57  20.898   3.448  13.443
  440   HD13  ILE  57          HD13      ILE  57  20.019   1.969  13.045
  441    H    SER  58           H        SER  58  15.897   3.349  17.348
  442    HA   SER  58           HA       SER  58  16.935   0.822  18.245
  443    HB2  SER  58           HB2      SER  58  15.208   2.048  20.178
  444    HB3  SER  58           HB3      SER  58  16.982   1.867  20.156
  445    HG   SER  58           HG       SER  58  15.520   3.953  18.894
  446    H    GLY  59           H        GLY  59  15.679  -0.932  19.090
  447    HA2  GLY  59           HA2      GLY  59  13.953  -2.390  19.222
  448    HA3  GLY  59           HA3      GLY  59  12.867  -0.999  19.170
  449    H    GLN  60           H        GLN  60  14.565  -0.815  16.276
  450    HA   GLN  60           HA       GLN  60  12.526  -1.277  14.577
  451    HB2  GLN  60           HB2      GLN  60  15.495  -1.263  14.384
  452    HB3  GLN  60           HB3      GLN  60  14.689  -2.112  13.057
  453    HG2  GLN  60           HG2      GLN  60  13.293  -0.165  12.621
  454    HG3  GLN  60           HG3      GLN  60  14.178   0.741  13.876
  455   HE21  GLN  60          HE22      GLN  60  14.063   0.514  10.613
  456   HE22  GLN  60          HE21      GLN  60  15.788   0.709  10.246
  457    H    THR  61           H        THR  61  15.092  -3.720  14.824
  458    HA   THR  61           HA       THR  61  13.127  -5.869  14.364
  459    HB   THR  61           HB       THR  61  14.992  -6.594  12.590
  460    HG1  THR  61           HG1      THR  61  15.415  -4.431  11.478
  461   HG21  THR  61          HG21      THR  61  12.551  -6.189  12.201
  462   HG22  THR  61          HG22      THR  61  12.913  -4.456  11.978
  463   HG23  THR  61          HG23      THR  61  13.588  -5.656  10.878
  464    H    SER  62           H        SER  62  14.004  -8.081  14.481
  465    HA   SER  62           HA       SER  62  16.362  -8.584  16.097
  466    HB2  SER  62           HB2      SER  62  14.863  -9.415  18.036
  467    HB3  SER  62           HB3      SER  62  15.118  -7.685  17.874
  468    HG   SER  62           HG       SER  62  12.895  -8.237  18.242
  469    H    ASP  63           H        ASP  63  15.078  -9.682  13.491
  470    HA   ASP  63           HA       ASP  63  14.753 -12.507  14.359
  471    HB2  ASP  63           HB2      ASP  63  12.694 -10.790  12.985
  472    HB3  ASP  63           HB3      ASP  63  12.818 -12.489  12.574
  473    HA   PRO  64           HA       PRO  64  17.277 -13.173  10.879
  474    HB2  PRO  64           HB2      PRO  64  17.157 -15.866  10.546
  475    HB3  PRO  64           HB3      PRO  64  17.705 -15.134  12.081
  476    HG2  PRO  64           HG2      PRO  64  14.910 -16.137  11.417
  477    HG3  PRO  64           HG3      PRO  64  15.923 -16.560  12.831
  478    HD2  PRO  64           HD2      PRO  64  14.041 -14.580  12.940
  479    HD3  PRO  64           HD3      PRO  64  15.591 -14.470  13.830
  480    H    ILE  65           H        ILE  65  17.472 -14.000   8.636
  481    HA   ILE  65           HA       ILE  65  15.449 -12.994   6.946
  482    HB   ILE  65           HB       ILE  65  17.865 -13.060   6.436
  483   HG12  ILE  65          HG12      ILE  65  16.188 -14.521   4.334
  484   HG13  ILE  65          HG13      ILE  65  16.345 -12.781   4.573
  485   HG21  ILE  65          HG21      ILE  65  18.356 -15.365   7.402
  486   HG22  ILE  65          HG22      ILE  65  17.655 -16.053   5.924
  487   HG23  ILE  65          HG23      ILE  65  19.101 -15.040   5.848
  488   HD11  ILE  65          HD11      ILE  65  18.502 -14.702   3.593
  489   HD12  ILE  65          HD12      ILE  65  17.731 -13.373   2.726
  490   HD13  ILE  65          HD13      ILE  65  18.848 -13.030   4.060
  491    H    GLU  66           H        GLU  66  16.136 -16.264   8.037
  492    HA   GLU  66           HA       GLU  66  14.555 -17.509   6.054
  493    HB2  GLU  66           HB2      GLU  66  15.119 -19.553   7.234
  494    HB3  GLU  66           HB3      GLU  66  16.518 -18.462   7.232
  495    HG2  GLU  66           HG2      GLU  66  16.073 -17.800   9.541
  496    HG3  GLU  66           HG3      GLU  66  14.629 -18.817   9.598
  497    H    ASN  67           H        ASN  67  13.562 -15.945   8.956
  498    HA   ASN  67           HA       ASN  67  11.032 -17.363   9.034
  499    HB2  ASN  67           HB2      ASN  67  10.788 -16.611  11.085
  500    HB3  ASN  67           HB3      ASN  67  12.439 -16.030  11.011
  501   HD21  ASN  67          HD22      ASN  67  12.708 -13.705  10.118
  502   HD22  ASN  67          HD21      ASN  67  11.424 -12.571  10.460
  503    H    PHE  68           H        PHE  68  12.398 -14.813   7.132
  504    HA   PHE  68           HA       PHE  68   9.812 -13.450   6.806
  505    HB2  PHE  68           HB2      PHE  68  12.613 -12.752   5.886
  506    HB3  PHE  68           HB3      PHE  68  11.194 -11.929   5.279
  507    HD1  PHE  68           HD1      PHE  68   9.704 -10.591   6.775
  508    HD2  PHE  68           HD2      PHE  68  13.411 -12.290   8.141
  509    HE1  PHE  68           HE1      PHE  68   9.686  -9.062   8.730
  510    HE2  PHE  68           HE2      PHE  68  13.400 -10.753  10.105
  511    HZ   PHE  68           HZ       PHE  68  11.536  -9.131  10.388
  512    H    ASN  69           H        ASN  69   9.337 -12.843   4.460
  513    HA   ASN  69           HA       ASN  69   9.816 -15.002   2.504
  514    HB2  ASN  69           HB2      ASN  69   7.300 -14.960   2.016
  515    HB3  ASN  69           HB3      ASN  69   7.909 -15.958   3.327
  516   HD21  ASN  69          HD22      ASN  69   6.734 -12.534   2.962
  517   HD22  ASN  69          HD21      ASN  69   5.688 -12.599   4.381
  518    H    ALA  70           H        ALA  70  11.056 -13.577   1.344
  519    HA   ALA  70           HA       ALA  70  10.504 -10.937   0.679
  520    HB1  ALA  70           HB1      ALA  70  11.827 -13.125  -0.945
  521    HB2  ALA  70           HB2      ALA  70  11.865 -11.379  -1.324
  522    HB3  ALA  70           HB3      ALA  70  12.571 -11.940   0.191
  523    H    ASP  71           H        ASP  71   8.957 -13.860  -0.496
  524    HA   ASP  71           HA       ASP  71   7.876 -13.049  -2.961
  525    HB2  ASP  71           HB2      ASP  71   7.595 -15.312  -2.072
  526    HB3  ASP  71           HB3      ASP  71   6.602 -14.688  -0.745
  527    H    ASP  72           H        ASP  72   7.082 -12.017   0.308
  528    HA   ASP  72           HA       ASP  72   4.633 -10.626  -0.560
  529    HB2  ASP  72           HB2      ASP  72   4.774 -12.001   1.557
  530    HB3  ASP  72           HB3      ASP  72   5.842 -10.754   2.207
  531    H    TYR  73           H        TYR  73   7.821  -9.698  -0.918
  532    HA   TYR  73           HA       TYR  73   7.143  -6.912  -0.357
  533    HB2  TYR  73           HB2      TYR  73   9.876  -8.050   0.238
  534    HB3  TYR  73           HB3      TYR  73   9.324  -6.381   0.461
  535    HD1  TYR  73           HD1      TYR  73   8.750  -9.887   1.630
  536    HD2  TYR  73           HD2      TYR  73   8.424  -5.698   2.535
  537    HE1  TYR  73           HE1      TYR  73   8.005 -10.475   3.892
  538    HE2  TYR  73           HE2      TYR  73   7.679  -6.256   4.847
  539    HH   TYR  73           HH       TYR  73   7.242  -9.643   5.986
  540    H    ASP  74           H        ASP  74   7.271  -5.736  -2.164
  541    HA   ASP  74           HA       ASP  74   8.048  -7.172  -4.547
  542    HB2  ASP  74           HB2      ASP  74   6.186  -5.313  -4.183
  543    HB3  ASP  74           HB3      ASP  74   7.531  -4.219  -4.565
  544    H    VAL  75           H        VAL  75  10.019  -5.439  -2.408
  545    HA   VAL  75           HA       VAL  75  12.080  -4.959  -4.497
  546    HB   VAL  75           HB       VAL  75  10.761  -3.103  -2.644
  547   HG11  VAL  75          HG11      VAL  75  12.279  -1.493  -2.606
  548   HG12  VAL  75          HG12      VAL  75  13.450  -2.814  -2.841
  549   HG13  VAL  75          HG13      VAL  75  12.911  -1.798  -4.192
  550   HG21  VAL  75          HG21      VAL  75   9.570  -3.066  -4.656
  551   HG22  VAL  75          HG22      VAL  75  10.463  -1.570  -4.527
  552   HG23  VAL  75          HG23      VAL  75  11.050  -2.855  -5.606
  553    H    VAL  76           H        VAL  76  13.928  -5.985  -3.784
  554    HA   VAL  76           HA       VAL  76  14.322  -6.309  -0.850
  555    HB   VAL  76           HB       VAL  76  14.948  -8.015  -3.317
  556   HG11  VAL  76          HG11      VAL  76  17.035  -7.950  -1.958
  557   HG12  VAL  76          HG12      VAL  76  16.115  -8.484  -0.543
  558   HG13  VAL  76          HG13      VAL  76  16.287  -9.523  -2.000
  559   HG21  VAL  76          HG21      VAL  76  13.556  -8.708  -0.685
  560   HG22  VAL  76          HG22      VAL  76  12.740  -8.363  -2.215
  561   HG23  VAL  76          HG23      VAL  76  13.780  -9.784  -2.078
  562    H    ILE  77           H        ILE  77  15.987  -5.261  -0.069
  563    HA   ILE  77           HA       ILE  77  18.281  -4.577  -1.837
  564    HB   ILE  77           HB       ILE  77  17.121  -3.061   0.536
  565   HG12  ILE  77          HG12      ILE  77  15.733  -2.479  -1.301
  566   HG13  ILE  77          HG13      ILE  77  16.879  -1.178  -1.028
  567   HG21  ILE  77          HG21      ILE  77  19.581  -3.021   0.518
  568   HG22  ILE  77          HG22      ILE  77  19.583  -2.489  -1.166
  569   HG23  ILE  77          HG23      ILE  77  18.906  -1.457   0.122
  570   HD11  ILE  77          HD11      ILE  77  16.591  -1.514  -3.438
  571   HD12  ILE  77          HD12      ILE  77  18.243  -2.024  -2.986
  572   HD13  ILE  77          HD13      ILE  77  16.978  -3.214  -3.279
  573    H    SER  78           H        SER  78  19.446  -6.486  -1.286
  574    HA   SER  78           HA       SER  78  19.672  -7.068   1.582
  575    HB2  SER  78           HB2      SER  78  21.287  -8.829   0.746
  576    HB3  SER  78           HB3      SER  78  19.573  -8.990   0.266
  577    HG   SER  78           HG       SER  78  21.847  -8.424  -1.165
  578    H    LEU  79           H        LEU  79  22.041  -7.085   2.450
  579    HA   LEU  79           HA       LEU  79  23.785  -5.067   1.250
  580    HB2  LEU  79           HB2      LEU  79  22.822  -4.798   4.138
  581    HB3  LEU  79           HB3      LEU  79  24.191  -3.967   3.422
  582    HG   LEU  79           HG       LEU  79  22.403  -3.076   1.697
  583   HD11  LEU  79          HD11      LEU  79  20.254  -2.516   2.715
  584   HD12  LEU  79          HD12      LEU  79  20.429  -4.266   2.619
  585   HD13  LEU  79          HD13      LEU  79  20.648  -3.460   4.160
  586   HD21  LEU  79          HD21      LEU  79  22.099  -1.069   3.189
  587   HD22  LEU  79          HD22      LEU  79  22.854  -2.008   4.509
  588   HD23  LEU  79          HD23      LEU  79  23.772  -1.629   3.053
  589    H    CYS  80           H        CYS  80  23.865  -7.724   1.110
  590    HA   CYS  80           HA       CYS  80  25.293  -8.851   3.444
  591    HB2  CYS  80           HB2      CYS  80  23.839 -10.181   1.092
  592    HB3  CYS  80           HB3      CYS  80  24.484 -10.994   2.526
  593    HG   CYS  80           HG       CYS  80  22.995  -9.794   4.297
  594    H    GLY  81           H        GLY  81  26.095  -7.491   0.408
  595    HA2  GLY  81           HA2      GLY  81  28.497  -7.457   0.013
  596    HA3  GLY  81           HA3      GLY  81  28.603  -9.170   0.379
  597    H    CYS  82           H        CYS  82  25.904  -8.125  -1.483
  598    HA   CYS  82           HA       CYS  82  25.171  -8.833  -3.535
  599    HB2  CYS  82           HB2      CYS  82  26.425  -6.642  -3.793
  600    HB3  CYS  82           HB3      CYS  82  27.734  -7.590  -4.545
  601    HG   CYS  82           HG       CYS  82  26.282  -6.405  -6.408
  602    H    GLY  83           H        GLY  83  25.743 -11.081  -2.559
  603    HA2  GLY  83           HA2      GLY  83  26.905 -12.804  -4.533
  604    HA3  GLY  83           HA3      GLY  83  28.073 -12.495  -3.232
  605    H    VAL  84           H        VAL  84  25.912 -12.278  -1.164
  606    HA   VAL  84           HA       VAL  84  25.561 -14.975  -0.343
  607    HB   VAL  84           HB       VAL  84  24.078 -12.435   0.390
  608   HG11  VAL  84          HG11      VAL  84  22.572 -14.286   0.918
  609   HG12  VAL  84          HG12      VAL  84  23.890 -15.181   1.702
  610   HG13  VAL  84          HG13      VAL  84  23.259 -13.664   2.404
  611   HG21  VAL  84          HG21      VAL  84  25.527 -12.801   2.503
  612   HG22  VAL  84          HG22      VAL  84  26.366 -14.055   1.599
  613   HG23  VAL  84          HG23      VAL  84  26.411 -12.374   1.027
  614    H    ASN  85           H        ASN  85  24.386 -16.491  -1.127
  615    HA   ASN  85           HA       ASN  85  22.517 -16.150  -3.294
  616    HB2  ASN  85           HB2      ASN  85  23.574 -18.244  -3.301
  617    HB3  ASN  85           HB3      ASN  85  23.534 -18.416  -1.551
  618   HD21  ASN  85          HD22      ASN  85  21.672 -19.203  -0.506
  619   HD22  ASN  85          HD21      ASN  85  20.396 -20.025  -1.385
  620    H    LEU  86           H        LEU  86  20.316 -15.998  -3.137
  621    HA   LEU  86           HA       LEU  86  19.028 -16.008  -0.448
  622    HB2  LEU  86           HB2      LEU  86  18.276 -14.189  -2.761
  623    HB3  LEU  86           HB3      LEU  86  17.568 -14.226  -1.148
  624    HG   LEU  86           HG       LEU  86  20.396 -13.314  -1.809
  625   HD11  LEU  86          HD11      LEU  86  17.927 -11.691  -1.052
  626   HD12  LEU  86          HD12      LEU  86  19.561 -11.060  -1.361
  627   HD13  LEU  86          HD13      LEU  86  18.644 -11.793  -2.678
  628   HD21  LEU  86          HD21      LEU  86  18.847 -13.065   0.804
  629   HD22  LEU  86          HD22      LEU  86  20.188 -14.192   0.532
  630   HD23  LEU  86          HD23      LEU  86  20.487 -12.451   0.486
  631    HA   PRO  87           HA       PRO  87  16.489 -19.121  -2.403
  632    HB2  PRO  87           HB2      PRO  87  14.156 -17.804  -1.044
  633    HB3  PRO  87           HB3      PRO  87  14.597 -19.533  -1.093
  634    HG2  PRO  87           HG2      PRO  87  15.126 -17.983   1.124
  635    HG3  PRO  87           HG3      PRO  87  16.260 -19.261   0.572
  636    HD2  PRO  87           HD2      PRO  87  16.481 -16.284   0.244
  637    HD3  PRO  87           HD3      PRO  87  17.753 -17.513   0.478
  638    HA   PRO  88           HA       PRO  88  15.064 -17.450  -6.030
  639    HB2  PRO  88           HB2      PRO  88  12.514 -19.088  -5.929
  640    HB3  PRO  88           HB3      PRO  88  13.652 -18.883  -7.296
  641    HG2  PRO  88           HG2      PRO  88  13.776 -21.098  -5.746
  642    HG3  PRO  88           HG3      PRO  88  15.289 -20.265  -6.235
  643    HD2  PRO  88           HD2      PRO  88  13.837 -20.116  -3.591
  644    HD3  PRO  88           HD3      PRO  88  15.589 -20.228  -3.931
  645    H    GLU  89           H        GLU  89  12.506 -17.185  -3.552
  646    HA   GLU  89           HA       GLU  89  10.816 -15.453  -5.066
  647    HB2  GLU  89           HB2      GLU  89   9.829 -14.968  -2.829
  648    HB3  GLU  89           HB3      GLU  89   9.858 -16.679  -3.279
  649    HG2  GLU  89           HG2      GLU  89  11.828 -17.023  -1.794
  650    HG3  GLU  89           HG3      GLU  89  11.765 -15.325  -1.329
  651    H    TRP  90           H        TRP  90  13.746 -14.962  -3.225
  652    HA   TRP  90           HA       TRP  90  13.304 -12.184  -2.722
  653    HB2  TRP  90           HB2      TRP  90  15.803 -13.918  -2.774
  654    HB3  TRP  90           HB3      TRP  90  15.829 -12.219  -2.325
  655    HD1  TRP  90           HD1      TRP  90  14.337 -15.556  -1.015
  656    HE1  TRP  90           HE1      TRP  90  13.895 -15.345   1.513
  657    HE3  TRP  90           HE3      TRP  90  15.487 -10.681  -0.408
  658    HZ2  TRP  90           HZ2      TRP  90  13.912 -13.276   3.502
  659    HZ3  TRP  90           HZ3      TRP  90  15.173  -9.528   1.752
  660    HH2  TRP  90           HH2      TRP  90  14.363 -10.839   3.740
  661    H    VAL  91           H        VAL  91  14.047 -13.721  -5.717
  662    HA   VAL  91           HA       VAL  91  15.348 -11.258  -6.683
  663    HB   VAL  91           HB       VAL  91  16.544 -12.633  -8.258
  664   HG11  VAL  91          HG11      VAL  91  17.450 -12.179  -5.926
  665   HG12  VAL  91          HG12      VAL  91  16.881 -13.781  -5.441
  666   HG13  VAL  91          HG13      VAL  91  18.119 -13.622  -6.700
  667   HG21  VAL  91          HG21      VAL  91  15.485 -15.121  -6.876
  668   HG22  VAL  91          HG22      VAL  91  14.917 -14.549  -8.460
  669   HG23  VAL  91          HG23      VAL  91  16.606 -15.026  -8.236
  670    H    THR  92           H        THR  92  12.409 -12.988  -6.996
  671    HA   THR  92           HA       THR  92  11.968 -12.335  -9.796
  672    HB   THR  92           HB       THR  92   9.684 -13.329  -9.159
  673    HG1  THR  92           HG1      THR  92   9.487 -14.190  -7.132
  674   HG21  THR  92          HG21      THR  92  12.236 -14.899  -8.551
  675   HG22  THR  92          HG22      THR  92  10.651 -15.618  -8.917
  676   HG23  THR  92          HG23      THR  92  11.508 -14.662 -10.146
  677    H    GLN  93           H        GLN  93  11.764 -10.613  -6.922
  678    HA   GLN  93           HA       GLN  93   9.528  -8.984  -7.060
  679    HB2  GLN  93           HB2      GLN  93  12.362  -8.746  -5.972
  680    HB3  GLN  93           HB3      GLN  93  11.045  -7.684  -5.485
  681    HG2  GLN  93           HG2      GLN  93  11.629 -10.480  -4.758
  682    HG3  GLN  93           HG3      GLN  93  11.127  -9.147  -3.754
  683   HE21  GLN  93          HE22      GLN  93  10.193 -12.042  -4.676
  684   HE22  GLN  93          HE21      GLN  93   8.447 -11.896  -4.888
  685    H    GLU  94           H        GLU  94   9.831  -6.434  -7.167
  686    HA   GLU  94           HA       GLU  94  10.395  -5.805  -9.910
  687    HB2  GLU  94           HB2      GLU  94   8.530  -4.654  -9.209
  688    HB3  GLU  94           HB3      GLU  94   9.110  -4.486  -7.547
  689    HG2  GLU  94           HG2      GLU  94  10.538  -2.767  -7.999
  690    HG3  GLU  94           HG3      GLU  94  10.396  -2.950  -9.761
  691    H    ILE  95           H        ILE  95  11.746  -5.224  -6.644
  692    HA   ILE  95           HA       ILE  95  14.305  -4.500  -8.068
  693    HB   ILE  95           HB       ILE  95  13.290  -3.447  -5.450
  694   HG12  ILE  95          HG12      ILE  95  12.582  -2.096  -7.294
  695   HG13  ILE  95          HG13      ILE  95  13.798  -1.258  -6.302
  696   HG21  ILE  95          HG21      ILE  95  15.580  -4.006  -4.989
  697   HG22  ILE  95          HG22      ILE  95  16.136  -3.309  -6.523
  698   HG23  ILE  95          HG23      ILE  95  15.504  -2.266  -5.243
  699   HD11  ILE  95          HD11      ILE  95  14.268  -2.505  -9.047
  700   HD12  ILE  95          HD12      ILE  95  14.089  -0.782  -8.684
  701   HD13  ILE  95          HD13      ILE  95  15.492  -1.665  -8.058
  702    H    PHE  96           H        PHE  96  16.032  -5.647  -7.600
  703    HA   PHE  96           HA       PHE  96  16.331  -6.995  -5.073
  704    HB2  PHE  96           HB2      PHE  96  15.670  -9.003  -6.072
  705    HB3  PHE  96           HB3      PHE  96  16.432  -8.607  -7.624
  706    HD1  PHE  96           HD2      PHE  96  17.778  -8.431  -4.054
  707    HD2  PHE  96           HD1      PHE  96  18.210 -10.121  -8.015
  708    HE1  PHE  96           HE2      PHE  96  19.992  -9.304  -3.438
  709    HE2  PHE  96           HE1      PHE  96  20.391 -11.084  -7.337
  710    HZ   PHE  96           HZ       PHE  96  21.290 -10.680  -5.056
  711    H    GLU  97           H        GLU  97  17.961  -5.816  -4.473
  712    HA   GLU  97           HA       GLU  97  20.343  -5.472  -6.192
  713    HB2  GLU  97           HB2      GLU  97  18.782  -3.329  -4.713
  714    HB3  GLU  97           HB3      GLU  97  20.521  -3.171  -4.949
  715    HG2  GLU  97           HG2      GLU  97  20.256  -3.250  -7.359
  716    HG3  GLU  97           HG3      GLU  97  18.509  -3.513  -7.202
  717    H    ASP  98           H        ASP  98  22.154  -4.824  -4.660
  718    HA   ASP  98           HA       ASP  98  21.762  -5.617  -1.896
  719    HB2  ASP  98           HB2      ASP  98  22.495  -7.725  -2.896
  720    HB3  ASP  98           HB3      ASP  98  23.948  -6.919  -3.507
  721    H    TRP  99           H        TRP  99  22.432  -3.852  -0.890
  722    HA   TRP  99           HA       TRP  99  24.521  -2.108  -2.097
  723    HB2  TRP  99           HB2      TRP  99  22.628  -1.580   0.220
  724    HB3  TRP  99           HB3      TRP  99  23.735  -0.434  -0.484
  725    HD1  TRP  99           HD1      TRP  99  22.586  -1.660  -3.569
  726    HE1  TRP  99           HE1      TRP  99  20.426  -0.601  -4.411
  727    HE3  TRP  99           HE3      TRP  99  21.078   0.533   0.790
  728    HZ2  TRP  99           HZ2      TRP  99  18.093   0.713  -3.196
  729    HZ3  TRP  99           HZ3      TRP  99  18.855   1.628   0.929
  730    HH2  TRP  99           HH2      TRP  99  17.341   1.635  -1.023
  731    H    GLN 100           H        GLN 100  25.767  -4.171  -1.572
  732    HA   GLN 100           HA       GLN 100  26.658  -5.247   0.657
  733    HB2  GLN 100           HB2      GLN 100  28.892  -5.340  -0.180
  734    HB3  GLN 100           HB3      GLN 100  27.674  -5.748  -1.404
  735    HG2  GLN 100           HG2      GLN 100  29.403  -3.277  -1.220
  736    HG3  GLN 100           HG3      GLN 100  29.536  -4.588  -2.375
  737   HE21  GLN 100          HE22      GLN 100  27.767  -4.852  -4.027
  738   HE22  GLN 100          HE21      GLN 100  26.746  -3.494  -4.414
  739    H    LEU 101           H        LEU 101  27.710  -2.126  -0.410
  740    HA   LEU 101           HA       LEU 101  29.044  -0.514   0.342
  741    HB2  LEU 101           HB2      LEU 101  26.618  -0.640   2.068
  742    HB3  LEU 101           HB3      LEU 101  27.865   0.361   2.736
  743    HG   LEU 101           HG       LEU 101  26.220   1.624   1.406
  744   HD11  LEU 101          HD11      LEU 101  29.069   1.742   0.322
  745   HD12  LEU 101          HD12      LEU 101  27.827   2.987   0.137
  746   HD13  LEU 101          HD13      LEU 101  28.428   2.581   1.757
  747   HD21  LEU 101          HD21      LEU 101  26.093   1.503  -0.976
  748   HD22  LEU 101          HD22      LEU 101  27.465   0.388  -1.088
  749   HD23  LEU 101          HD23      LEU 101  25.932  -0.159  -0.388
  750    H    GLU 102           H        GLU 102  29.800   0.583   2.707
  751    HA   GLU 102           HA       GLU 102  31.989  -1.022   3.566
  752    HB2  GLU 102           HB2      GLU 102  30.879   1.699   4.047
  753    HB3  GLU 102           HB3      GLU 102  31.682   1.032   5.457
  754    HG2  GLU 102           HG2      GLU 102  32.839   1.182   2.675
  755    HG3  GLU 102           HG3      GLU 102  33.175   2.319   3.999
  756    H    ASP 103           H        ASP 103  32.306  -1.015   5.990
  757    HA   ASP 103           HA       ASP 103  30.231  -2.761   7.319
  758    HB2  ASP 103           HB2      ASP 103  31.910  -4.125   6.306
  759    HB3  ASP 103           HB3      ASP 103  33.215  -3.118   6.950
  760    HA   PRO 104           HA       PRO 104  31.436   0.489  10.299
  761    HB2  PRO 104           HB2      PRO 104  29.154   0.607  11.780
  762    HB3  PRO 104           HB3      PRO 104  29.264   1.317  10.139
  763    HG2  PRO 104           HG2      PRO 104  28.145  -1.396  10.930
  764    HG3  PRO 104           HG3      PRO 104  27.399  -0.154   9.872
  765    HD2  PRO 104           HD2      PRO 104  28.828  -2.298   8.903
  766    HD3  PRO 104           HD3      PRO 104  28.813  -0.708   8.068
  767    H    ASP 105           H        ASP 105  31.002  -2.872  10.582
  768    HA   ASP 105           HA       ASP 105  30.917  -4.352  12.390
  769    HB2  ASP 105           HB2      ASP 105  33.037  -4.410  11.168
  770    HB3  ASP 105           HB3      ASP 105  33.703  -3.156  12.182
  771    H    GLY 106           H        GLY 106  33.430  -2.652  13.929
  772    HA2  GLY 106           HA2      GLY 106  31.747  -1.479  16.096
  773    HA3  GLY 106           HA3      GLY 106  33.154  -2.491  16.514
  774    H    GLN 107           H        GLN 107  32.671  -0.163  13.856
  775    HA   GLN 107           HA       GLN 107  35.374   0.850  14.113
  776    HB2  GLN 107           HB2      GLN 107  33.063   1.504  12.199
  777    HB3  GLN 107           HB3      GLN 107  34.640   2.240  12.091
  778    HG2  GLN 107           HG2      GLN 107  35.337  -0.429  12.336
  779    HG3  GLN 107           HG3      GLN 107  33.881  -0.504  11.336
  780   HE21  GLN 107          HE22      GLN 107  34.235  -0.161   9.115
  781   HE22  GLN 107          HE21      GLN 107  35.644   0.655   8.460
  782    H    SER 108           H        SER 108  35.494   3.252  13.433
  783    HA   SER 108           HA       SER 108  34.966   4.852  15.766
  784    HB2  SER 108           HB2      SER 108  35.920   6.655  14.176
  785    HB3  SER 108           HB3      SER 108  36.972   5.291  14.587
  786    HG   SER 108           HG       SER 108  37.028   5.675  12.349
  787    H    LEU 109           H        LEU 109  33.669   6.809  15.724
  788    HA   LEU 109           HA       LEU 109  31.047   6.514  14.689
  789    HB2  LEU 109           HB2      LEU 109  32.509   9.066  15.506
  790    HB3  LEU 109           HB3      LEU 109  30.791   8.938  15.179
  791    HG   LEU 109           HG       LEU 109  32.320   7.757  17.509
  792   HD11  LEU 109          HD11      LEU 109  31.578  10.120  17.653
  793   HD12  LEU 109          HD12      LEU 109  29.896   9.621  17.384
  794   HD13  LEU 109          HD13      LEU 109  30.762   9.097  18.842
  795   HD21  LEU 109          HD21      LEU 109  29.483   7.053  16.650
  796   HD22  LEU 109          HD22      LEU 109  30.850   5.962  16.931
  797   HD23  LEU 109          HD23      LEU 109  30.114   6.810  18.293
  798    H    GLU 110           H        GLU 110  33.946   7.895  13.220
  799    HA   GLU 110           HA       GLU 110  32.636   9.385  11.174
  800    HB2  GLU 110           HB2      GLU 110  35.372   8.045  11.266
  801    HB3  GLU 110           HB3      GLU 110  34.808   9.070   9.927
  802    HG2  GLU 110           HG2      GLU 110  34.347  10.896  11.522
  803    HG3  GLU 110           HG3      GLU 110  35.007   9.914  12.835
  804    H    VAL 111           H        VAL 111  33.625   5.865  11.275
  805    HA   VAL 111           HA       VAL 111  32.739   5.650   8.547
  806    HB   VAL 111           HB       VAL 111  33.288   3.435  10.586
  807   HG11  VAL 111          HG11      VAL 111  32.859   3.400   7.546
  808   HG12  VAL 111          HG12      VAL 111  33.489   2.033   8.456
  809   HG13  VAL 111          HG13      VAL 111  31.855   2.591   8.781
  810   HG21  VAL 111          HG21      VAL 111  35.442   3.211   9.305
  811   HG22  VAL 111          HG22      VAL 111  35.018   4.662   8.380
  812   HG23  VAL 111          HG23      VAL 111  35.308   4.762  10.131
  813    H    PHE 112           H        PHE 112  31.201   4.929  11.737
  814    HA   PHE 112           HA       PHE 112  28.691   4.131  10.737
  815    HB2  PHE 112           HB2      PHE 112  29.419   5.818  13.152
  816    HB3  PHE 112           HB3      PHE 112  27.763   5.559  12.663
  817    HD1  PHE 112           HD1      PHE 112  30.872   3.537  13.429
  818    HD2  PHE 112           HD2      PHE 112  26.558   3.751  13.469
  819    HE1  PHE 112           HE1      PHE 112  30.771   1.408  14.673
  820    HE2  PHE 112           HE2      PHE 112  26.475   1.660  14.766
  821    HZ   PHE 112           HZ       PHE 112  28.585   0.454  15.353
  822    H    ARG 113           H        ARG 113  29.765   7.576  11.176
  823    HA   ARG 113           HA       ARG 113  27.429   8.772  10.087
  824    HB2  ARG 113           HB2      ARG 113  30.343   9.718   9.997
  825    HB3  ARG 113           HB3      ARG 113  28.979  10.692   9.465
  826    HG2  ARG 113           HG2      ARG 113  27.993  10.521  11.772
  827    HG3  ARG 113           HG3      ARG 113  29.460   9.700  12.308
  828    HD2  ARG 113           HD2      ARG 113  30.828  11.610  11.761
  829    HD3  ARG 113           HD3      ARG 113  29.444  12.460  11.050
  830    HE   ARG 113           HE       ARG 113  28.366  12.254  13.354
  831   HH11  ARG 113          HH11      ARG 113  31.855  12.905  12.884
  832   HH12  ARG 113          HH12      ARG 113  32.046  13.645  14.431
  833   HH21  ARG 113          HH21      ARG 113  28.629  13.160  15.361
  834   HH22  ARG 113          HH22      ARG 113  30.161  13.817  15.887
  835    H    THR 114           H        THR 114  30.444   7.754   8.463
  836    HA   THR 114           HA       THR 114  29.695   8.807   5.942
  837    HB   THR 114           HB       THR 114  31.651   6.584   6.691
  838    HG1  THR 114           HG1      THR 114  32.269   8.436   7.660
  839   HG21  THR 114          HG21      THR 114  32.827   7.194   4.569
  840   HG22  THR 114          HG22      THR 114  31.246   6.442   4.304
  841   HG23  THR 114          HG23      THR 114  31.430   8.205   4.113
  842    H    VAL 115           H        VAL 115  29.257   5.597   7.444
  843    HA   VAL 115           HA       VAL 115  28.429   4.262   5.023
  844    HB   VAL 115           HB       VAL 115  28.230   3.659   8.010
  845   HG11  VAL 115          HG11      VAL 115  27.202   1.856   5.772
  846   HG12  VAL 115          HG12      VAL 115  27.515   1.369   7.457
  847   HG13  VAL 115          HG13      VAL 115  26.247   2.546   7.115
  848   HG21  VAL 115          HG21      VAL 115  29.620   2.168   5.769
  849   HG22  VAL 115          HG22      VAL 115  30.429   3.431   6.710
  850   HG23  VAL 115          HG23      VAL 115  29.862   1.942   7.510
  851    H    ARG 116           H        ARG 116  26.707   5.615   7.831
  852    HA   ARG 116           HA       ARG 116  24.047   5.406   7.045
  853    HB2  ARG 116           HB2      ARG 116  24.828   6.157   9.209
  854    HB3  ARG 116           HB3      ARG 116  25.725   7.476   8.490
  855    HG2  ARG 116           HG2      ARG 116  23.459   8.508   7.832
  856    HG3  ARG 116           HG3      ARG 116  22.764   7.290   8.933
  857    HD2  ARG 116           HD2      ARG 116  23.153   8.974  10.413
  858    HD3  ARG 116           HD3      ARG 116  24.740   8.106  10.503
  859    HE   ARG 116           HE       ARG 116  24.855  10.112   8.466
  860   HH11  ARG 116          HH11      ARG 116  24.646  10.032  12.043
  861   HH12  ARG 116          HH12      ARG 116  25.745  11.358  12.245
  862   HH21  ARG 116          HH21      ARG 116  26.159  11.996   8.789
  863   HH22  ARG 116          HH22      ARG 116  26.456  12.568  10.388
  864    H    GLY 117           H        GLY 117  26.252   8.214   6.208
  865    HA2  GLY 117           HA2      GLY 117  24.241   9.497   4.675
  866    HA3  GLY 117           HA3      GLY 117  25.993   9.779   4.517
  867    H    GLN 118           H        GLN 118  26.820   7.213   3.654
  868    HA   GLN 118           HA       GLN 118  26.241   7.410   0.886
  869    HB2  GLN 118           HB2      GLN 118  27.595   5.281   2.580
  870    HB3  GLN 118           HB3      GLN 118  27.602   5.236   0.822
  871    HG2  GLN 118           HG2      GLN 118  28.424   7.849   2.131
  872    HG3  GLN 118           HG3      GLN 118  29.513   6.471   2.309
  873   HE21  GLN 118          HE22      GLN 118  31.150   7.639   1.041
  874   HE22  GLN 118          HE21      GLN 118  30.985   7.762  -0.693
  875    H    VAL 119           H        VAL 119  24.975   5.313   3.429
  876    HA   VAL 119           HA       VAL 119  23.319   3.651   1.758
  877    HB   VAL 119           HB       VAL 119  23.217   4.447   4.701
  878   HG11  VAL 119          HG11      VAL 119  21.405   2.465   3.292
  879   HG12  VAL 119          HG12      VAL 119  21.604   2.646   5.063
  880   HG13  VAL 119          HG13      VAL 119  20.915   3.969   4.119
  881   HG21  VAL 119          HG21      VAL 119  25.057   2.851   3.820
  882   HG22  VAL 119          HG22      VAL 119  24.013   2.167   5.076
  883   HG23  VAL 119          HG23      VAL 119  23.765   1.735   3.371
  884    H    LYS 120           H        LYS 120  22.786   6.860   3.410
  885    HA   LYS 120           HA       LYS 120  20.048   6.921   2.854
  886    HB2  LYS 120           HB2      LYS 120  19.991   8.972   3.703
  887    HB3  LYS 120           HB3      LYS 120  21.514   8.435   4.355
  888    HG2  LYS 120           HG2      LYS 120  22.693  10.085   3.396
  889    HG3  LYS 120           HG3      LYS 120  21.942   9.954   1.842
  890    HD2  LYS 120           HD2      LYS 120  20.611  11.242   4.259
  891    HD3  LYS 120           HD3      LYS 120  21.535  12.149   3.065
  892    HE2  LYS 120           HE2      LYS 120  19.255  10.375   2.109
  893    HE3  LYS 120           HE3      LYS 120  18.865  11.904   2.896
  894    HZ1  LYS 120           HZ1      LYS 120  19.030  12.086   0.476
  895    HZ2  LYS 120           HZ2      LYS 120  20.100  13.079   1.220
  896    HZ3  LYS 120           HZ3      LYS 120  20.627  11.701   0.506
  897    H    GLU 121           H        GLU 121  22.738   7.931   0.781
  898    HA   GLU 121           HA       GLU 121  21.047   8.920  -1.310
  899    HB2  GLU 121           HB2      GLU 121  23.869   7.733  -1.444
  900    HB3  GLU 121           HB3      GLU 121  23.067   8.548  -2.782
  901    HG2  GLU 121           HG2      GLU 121  23.852   9.803  -0.133
  902    HG3  GLU 121           HG3      GLU 121  24.633  10.036  -1.698
  903    H    ARG 122           H        ARG 122  22.388   5.576  -0.705
  904    HA   ARG 122           HA       ARG 122  21.236   4.577  -3.171
  905    HB2  ARG 122           HB2      ARG 122  22.051   3.138  -0.603
  906    HB3  ARG 122           HB3      ARG 122  21.247   2.369  -1.971
  907    HG2  ARG 122           HG2      ARG 122  23.521   1.900  -2.268
  908    HG3  ARG 122           HG3      ARG 122  23.039   3.088  -3.498
  909    HD2  ARG 122           HD2      ARG 122  24.020   4.884  -2.110
  910    HD3  ARG 122           HD3      ARG 122  24.533   3.657  -0.915
  911    HE   ARG 122           HE       ARG 122  25.602   2.865  -3.379
  912   HH11  ARG 122          HH11      ARG 122  25.797   5.710  -1.279
  913   HH12  ARG 122          HH12      ARG 122  27.433   6.116  -1.698
  914   HH21  ARG 122          HH21      ARG 122  27.777   3.420  -4.008
  915   HH22  ARG 122          HH22      ARG 122  28.558   4.804  -3.333
  916    H    VAL 123           H        VAL 123  19.973   4.722   0.194
  917    HA   VAL 123           HA       VAL 123  17.455   3.602  -0.285
  918    HB   VAL 123           HB       VAL 123  18.346   5.875   1.533
  919   HG11  VAL 123          HG11      VAL 123  15.711   4.403   1.480
  920   HG12  VAL 123          HG12      VAL 123  16.320   5.384   2.843
  921   HG13  VAL 123          HG13      VAL 123  15.990   6.158   1.305
  922   HG21  VAL 123          HG21      VAL 123  17.668   3.004   2.280
  923   HG22  VAL 123          HG22      VAL 123  19.333   3.563   1.987
  924   HG23  VAL 123          HG23      VAL 123  18.393   4.251   3.301
  925    H    GLU 124           H        GLU 124  18.393   7.065  -0.612
  926    HA   GLU 124           HA       GLU 124  15.851   7.838  -1.530
  927    HB2  GLU 124           HB2      GLU 124  17.488   9.198  -0.466
  928    HB3  GLU 124           HB3      GLU 124  18.553   9.136  -1.911
  929    HG2  GLU 124           HG2      GLU 124  16.736  10.175  -3.223
  930    HG3  GLU 124           HG3      GLU 124  15.718  10.217  -1.760
  931    H    ASN 125           H        ASN 125  18.666   6.643  -3.331
  932    HA   ASN 125           HA       ASN 125  17.651   7.115  -5.948
  933    HB2  ASN 125           HB2      ASN 125  19.661   5.201  -4.787
  934    HB3  ASN 125           HB3      ASN 125  19.057   4.903  -6.399
  935   HD21  ASN 125          HD22      ASN 125  20.750   7.390  -4.436
  936   HD22  ASN 125          HD21      ASN 125  21.508   8.181  -5.808
  937    H    LEU 126           H        LEU 126  17.322   4.249  -3.789
  938    HA   LEU 126           HA       LEU 126  15.679   2.714  -5.558
  939    HB2  LEU 126           HB2      LEU 126  16.204   1.342  -3.957
  940    HB3  LEU 126           HB3      LEU 126  16.449   2.628  -2.754
  941    HG   LEU 126           HG       LEU 126  13.617   1.898  -3.344
  942   HD11  LEU 126          HD11      LEU 126  14.678  -0.310  -3.356
  943   HD12  LEU 126          HD12      LEU 126  15.416   0.075  -1.776
  944   HD13  LEU 126          HD13      LEU 126  13.670  -0.054  -1.917
  945   HD21  LEU 126          HD21      LEU 126  14.295   3.502  -1.505
  946   HD22  LEU 126          HD22      LEU 126  13.330   2.129  -0.950
  947   HD23  LEU 126          HD23      LEU 126  15.088   2.156  -0.682
  948    H    ILE 127           H        ILE 127  14.841   5.090  -3.107
  949    HA   ILE 127           HA       ILE 127  11.992   5.008  -3.433
  950    HB   ILE 127           HB       ILE 127  14.104   6.859  -2.371
  951   HG12  ILE 127          HG12      ILE 127  11.564   6.215  -0.900
  952   HG13  ILE 127          HG13      ILE 127  12.539   4.809  -1.348
  953   HG21  ILE 127          HG21      ILE 127  11.311   7.885  -2.816
  954   HG22  ILE 127          HG22      ILE 127  12.438   8.534  -1.606
  955   HG23  ILE 127          HG23      ILE 127  12.855   8.589  -3.325
  956   HD11  ILE 127          HD11      ILE 127  13.003   6.066   0.914
  957   HD12  ILE 127          HD12      ILE 127  14.295   5.392  -0.085
  958   HD13  ILE 127          HD13      ILE 127  14.018   7.141  -0.123
  959    H    ALA 128           H        ALA 128  14.536   6.963  -5.148
  960    HA   ALA 128           HA       ALA 128  12.704   8.363  -6.758
  961    HB1  ALA 128           HB1      ALA 128  14.615   8.918  -8.168
  962    HB2  ALA 128           HB2      ALA 128  15.095   8.998  -6.457
  963    HB3  ALA 128           HB3      ALA 128  15.571   7.601  -7.467
  964    H    LYS 129           H        LYS 129  14.027   5.067  -7.167
  965    HA   LYS 129           HA       LYS 129  12.912   4.746  -9.785
  966    HB2  LYS 129           HB2      LYS 129  13.591   2.618  -7.720
  967    HB3  LYS 129           HB3      LYS 129  13.264   2.344  -9.425
  968    HG2  LYS 129           HG2      LYS 129  15.265   3.530 -10.098
  969    HG3  LYS 129           HG3      LYS 129  15.565   4.065  -8.438
  970    HD2  LYS 129           HD2      LYS 129  15.769   1.742  -7.685
  971    HD3  LYS 129           HD3      LYS 129  15.567   1.188  -9.376
  972    HE2  LYS 129           HE2      LYS 129  17.529   2.808  -9.918
  973    HE3  LYS 129           HE3      LYS 129  17.806   2.858  -8.166
  974    HZ1  LYS 129           HZ1      LYS 129  19.203   1.188  -9.184
  975    HZ2  LYS 129           HZ2      LYS 129  18.102   0.392  -8.262
  976    HZ3  LYS 129           HZ3      LYS 129  17.935   0.439  -9.894
  977    H    ILE 130           H        ILE 130  11.713   3.926  -6.458
  978    HA   ILE 130           HA       ILE 130   9.323   2.883  -7.717
  979    HB   ILE 130           HB       ILE 130   8.917   1.897  -5.560
  980   HG12  ILE 130          HG12      ILE 130  11.433   3.050  -4.525
  981   HG13  ILE 130          HG13      ILE 130   9.806   3.173  -3.891
  982   HG21  ILE 130          HG21      ILE 130  10.168   0.891  -7.530
  983   HG22  ILE 130          HG22      ILE 130  11.666   1.159  -6.591
  984   HG23  ILE 130          HG23      ILE 130  10.362   0.089  -5.998
  985   HD11  ILE 130          HD11      ILE 130   9.816   0.638  -3.578
  986   HD12  ILE 130          HD12      ILE 130  11.551   0.688  -4.016
  987   HD13  ILE 130          HD13      ILE 130  10.992   1.544  -2.576
  988    H    SER 131           H        SER 131   9.887   5.419  -5.253
  989    HA   SER 131           HA       SER 131   7.338   5.399  -4.164
  990    HB2  SER 131           HB2      SER 131   9.318   7.664  -4.430
  991    HB3  SER 131           HB3      SER 131   7.842   7.712  -3.444
  992    HG   SER 131           HG       SER 131   9.492   6.910  -2.116