*HEADER    OXIDOREDUCTASE                          26-JUL-10   2L19              
*TITLE     AN ARSENATE REDUCTASE IN THE INTERMEDIATE 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;                                                     
*COMPND   7 MUTATION: 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 2L19    0                                                


# 1999 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) -151.3 -91.3
 &rst     iat =    62,    64,    66,    78,
   r1 = -152.3, r2 = -151.3, r3 = -91.3, r4 = -90.3,
 &end

# 4 VAL PSI:  (4 VAL N)-(4 VAL CA)-(4 VAL C)-(5 MET N) 100.8 160.8
 &rst     iat =    64,    66,    78,    80,
   r1 =  99.8, r2 = 100.8, r3 = 160.8, r4 = 161.8,
 &end

# 18 ALA PHI:  (17 MET C)-(18 ALA N)-(18 ALA CA)-(18 ALA C) -93.9 -33.9
 &rst     iat =   292,   294,   296,   302,
   r1 = -94.9, r2 = -93.9, r3 = -33.9, r4 = -32.9,
 &end

# 18 ALA PSI:  (18 ALA N)-(18 ALA CA)-(18 ALA C)-(19 GLU N) -70.8 -10.8
 &rst     iat =   294,   296,   302,   304,
   r1 = -71.8, r2 = -70.8, r3 = -10.8, r4 =  -9.8,
 &end

# 19 GLU PHI:  (18 ALA C)-(19 GLU N)-(19 GLU CA)-(19 GLU C) -77.3 -56.4
 &rst     iat =   302,   304,   306,   317,
   r1 = -78.3, r2 = -77.3, r3 = -56.4, r4 = -55.4,
 &end

# 19 GLU PSI:  (19 GLU N)-(19 GLU CA)-(19 GLU C)-(20 GLY N) -51.2 -29.0
 &rst     iat =   304,   306,   317,   319,
   r1 = -52.2, r2 = -51.2, r3 = -29.0, r4 = -28.0,
 &end

# 20 GLY PHI:  (19 GLU C)-(20 GLY N)-(20 GLY CA)-(20 GLY C) -91.4 -31.4
 &rst     iat =   317,   319,   321,   324,
   r1 = -92.4, r2 = -91.4, r3 = -31.4, r4 = -30.4,
 &end

# 20 GLY PSI:  (20 GLY N)-(20 GLY CA)-(20 GLY C)-(21 PHE N) -67.7  -7.7
 &rst     iat =   319,   321,   324,   326,
   r1 = -68.7, r2 = -67.7, r3 =  -7.7, r4 =  -6.7,
 &end

# 21 PHE PHI:  (20 GLY C)-(21 PHE N)-(21 PHE CA)-(21 PHE C) -95.8 -35.8
 &rst     iat =   324,   326,   328,   344,
   r1 = -96.8, r2 = -95.8, r3 = -35.8, r4 = -34.8,
 &end

# 21 PHE PSI:  (21 PHE N)-(21 PHE CA)-(21 PHE C)-(22 ALA N) -70.2 -10.2
 &rst     iat =   326,   328,   344,   346,
   r1 = -71.2, r2 = -70.2, r3 = -10.2, r4 =  -9.2,
 &end

# 22 ALA PHI:  (21 PHE C)-(22 ALA N)-(22 ALA CA)-(22 ALA C) -71.5 -62.1
 &rst     iat =   344,   346,   348,   354,
   r1 = -72.5, r2 = -71.5, r3 = -62.1, r4 = -61.1,
 &end

# 22 ALA PSI:  (22 ALA N)-(22 ALA CA)-(22 ALA C)-(23 LYS N) -48.1 -29.9
 &rst     iat =   346,   348,   354,   356,
   r1 = -49.1, r2 = -48.1, r3 = -29.9, r4 = -28.9,
 &end

# 23 LYS PHI:  (22 ALA C)-(23 LYS N)-(23 LYS CA)-(23 LYS C) -92.7 -32.7
 &rst     iat =   354,   356,   358,   376,
   r1 = -93.7, r2 = -92.7, r3 = -32.7, r4 = -31.7,
 &end

# 23 LYS PSI:  (23 LYS N)-(23 LYS CA)-(23 LYS C)-(24 THR N) -73.5 -13.5
 &rst     iat =   356,   358,   376,   378,
   r1 = -74.5, r2 = -73.5, r3 = -13.5, r4 = -12.5,
 &end

# 24 THR PHI:  (23 LYS C)-(24 THR N)-(24 THR CA)-(24 THR C) -95.4 -35.4
 &rst     iat =   376,   378,   380,   390,
   r1 = -96.4, r2 = -95.4, r3 = -35.4, r4 = -34.4,
 &end

# 24 THR PSI:  (24 THR N)-(24 THR CA)-(24 THR C)-(25 LEU N) -71.3 -11.3
 &rst     iat =   378,   380,   390,   392,
   r1 = -72.3, r2 = -71.3, r3 = -11.3, r4 = -10.3,
 &end

# 30 ILE PHI:  (29 LYS C)-(30 ILE N)-(30 ILE CA)-(30 ILE C) -152.9 -114.1
 &rst     iat =   455,   457,   459,   474,
   r1 = -153.9, r2 = -152.9, r3 = -114.1, r4 = -113.1,
 &end

# 30 ILE PSI:  (30 ILE N)-(30 ILE CA)-(30 ILE C)-(31 ALA N) 125.7 158.8
 &rst     iat =   457,   459,   474,   476,
   r1 = 124.7, r2 = 125.7, r3 = 158.8, r4 = 159.8,
 &end

# 31 ALA PHI:  (30 ILE C)-(31 ALA N)-(31 ALA CA)-(31 ALA C) -145.9 -85.9
 &rst     iat =   474,   476,   478,   484,
   r1 = -146.9, r2 = -145.9, r3 = -85.9, r4 = -84.9,
 &end

# 31 ALA PSI:  (31 ALA N)-(31 ALA CA)-(31 ALA C)-(32 VAL N)  98.3 158.3
 &rst     iat =   476,   478,   484,   486,
   r1 =  97.3, r2 =  98.3, r3 = 158.3, r4 = 159.3,
 &end

# 32 VAL PHI:  (31 ALA C)-(32 VAL N)-(32 VAL CA)-(32 VAL C) -138.8 -78.8
 &rst     iat =   484,   486,   488,   500,
   r1 = -139.8, r2 = -138.8, r3 = -78.8, r4 = -77.8,
 &end

# 32 VAL PSI:  (32 VAL N)-(32 VAL CA)-(32 VAL C)-(33 THR N) 103.2 163.2
 &rst     iat =   486,   488,   500,   502,
   r1 = 102.2, r2 = 103.2, r3 = 163.2, r4 = 164.2,
 &end

# 46 ALA PHI:  (45 THR C)-(46 ALA N)-(46 ALA CA)-(46 ALA C) -96.2 -36.2
 &rst     iat =   684,   686,   688,   694,
   r1 = -97.2, r2 = -96.2, r3 = -36.2, r4 = -35.2,
 &end

# 46 ALA PSI:  (46 ALA N)-(46 ALA CA)-(46 ALA C)-(47 ILE N) -70.4 -10.4
 &rst     iat =   686,   688,   694,   696,
   r1 = -71.4, r2 = -70.4, r3 = -10.4, r4 =  -9.4,
 &end

# 47 ILE PHI:  (46 ALA C)-(47 ILE N)-(47 ILE CA)-(47 ILE C) -71.4 -61.4
 &rst     iat =   694,   696,   698,   713,
   r1 = -72.4, r2 = -71.4, r3 = -61.4, r4 = -60.4,
 &end

# 47 ILE PSI:  (47 ILE N)-(47 ILE CA)-(47 ILE C)-(48 ALA N) -45.6 -29.4
 &rst     iat =   696,   698,   713,   715,
   r1 = -46.6, r2 = -45.6, r3 = -29.4, r4 = -28.4,
 &end

# 48 ALA PHI:  (47 ILE C)-(48 ALA N)-(48 ALA CA)-(48 ALA C) -72.1 -59.1
 &rst     iat =   713,   715,   717,   723,
   r1 = -73.1, r2 = -72.1, r3 = -59.1, r4 = -58.1,
 &end

# 48 ALA PSI:  (48 ALA N)-(48 ALA CA)-(48 ALA C)-(49 MET N) -49.4 -22.0
 &rst     iat =   715,   717,   723,   725,
   r1 = -50.4, r2 = -49.4, r3 = -22.0, r4 = -21.0,
 &end

# 51 GLU PHI:  (50 MET C)-(51 GLU N)-(51 GLU CA)-(51 GLU C) -94.4 -34.4
 &rst     iat =   757,   759,   761,   772,
   r1 = -95.4, r2 = -94.4, r3 = -34.4, r4 = -33.4,
 &end

# 51 GLU PSI:  (51 GLU N)-(51 GLU CA)-(51 GLU C)-(52 GLU N) -66.9  -6.9
 &rst     iat =   759,   761,   772,   774,
   r1 = -67.9, r2 = -66.9, r3 =  -6.9, r4 =  -5.9,
 &end

# 52 GLU PHI:  (51 GLU C)-(52 GLU N)-(52 GLU CA)-(52 GLU C) -98.2 -38.2
 &rst     iat =   772,   774,   776,   787,
   r1 = -99.2, r2 = -98.2, r3 = -38.2, r4 = -37.2,
 &end

# 52 GLU PSI:  (52 GLU N)-(52 GLU CA)-(52 GLU C)-(53 VAL N) -47.2  12.8
 &rst     iat =   774,   776,   787,   789,
   r1 = -48.2, r2 = -47.2, r3 =  12.8, r4 =  13.8,
 &end

# 53 VAL PHI:  (52 GLU C)-(53 VAL N)-(53 VAL CA)-(53 VAL C) -139.9 -79.9
 &rst     iat =   787,   789,   791,   803,
   r1 = -140.9, r2 = -139.9, r3 = -79.9, r4 = -78.9,
 &end

# 53 VAL PSI:  (53 VAL N)-(53 VAL CA)-(53 VAL C)-(54 GLY N) -25.4  34.5
 &rst     iat =   789,   791,   803,   805,
   r1 = -26.4, r2 = -25.4, r3 =  34.5, r4 =  35.5,
 &end

# 55 ILE PHI:  (54 GLY C)-(55 ILE N)-(55 ILE CA)-(55 ILE C) -136.2 -76.2
 &rst     iat =   810,   812,   814,   829,
   r1 = -137.2, r2 = -136.2, r3 = -76.2, r4 = -75.2,
 &end

# 55 ILE PSI:  (55 ILE N)-(55 ILE CA)-(55 ILE C)-(56 ASP N)  95.2 155.2
 &rst     iat =   812,   814,   829,   831,
   r1 =  94.2, r2 =  95.2, r3 = 155.2, r4 = 156.2,
 &end

# 56 ASP PHI:  (55 ILE C)-(56 ASP N)-(56 ASP CA)-(56 ASP C) -127.5 -67.5
 &rst     iat =   829,   831,   833,   841,
   r1 = -128.5, r2 = -127.5, r3 = -67.5, r4 = -66.5,
 &end

# 56 ASP PSI:  (56 ASP N)-(56 ASP CA)-(56 ASP C)-(57 ILE N)  89.3 149.3
 &rst     iat =   831,   833,   841,   843,
   r1 =  88.3, r2 =  89.3, r3 = 149.3, r4 = 150.3,
 &end

# 76 VAL PHI:  (75 VAL C)-(76 VAL N)-(76 VAL CA)-(76 VAL C) -162.4 -97.3
 &rst     iat =  1111,  1113,  1115,  1127,
   r1 = -163.4, r2 = -162.4, r3 = -97.3, r4 = -96.3,
 &end

# 76 VAL PSI:  (76 VAL N)-(76 VAL CA)-(76 VAL C)-(77 ILE N) 125.0 155.0
 &rst     iat =  1113,  1115,  1127,  1129,
   r1 = 124.0, r2 = 125.0, r3 = 155.0, r4 = 156.0,
 &end

# 77 ILE PHI:  (76 VAL C)-(77 ILE N)-(77 ILE CA)-(77 ILE C) -145.9 -85.9
 &rst     iat =  1127,  1129,  1131,  1146,
   r1 = -146.9, r2 = -145.9, r3 = -85.9, r4 = -84.9,
 &end

# 77 ILE PSI:  (77 ILE N)-(77 ILE CA)-(77 ILE C)-(78 SER N)  92.6 152.6
 &rst     iat =  1129,  1131,  1146,  1148,
   r1 =  91.6, r2 =  92.6, r3 = 152.6, r4 = 153.6,
 &end

# 89 GLU PHI:  (88 PRO C)-(89 GLU N)-(89 GLU CA)-(89 GLU C) -97.9 -37.9
 &rst     iat =  1288,  1290,  1292,  1303,
   r1 = -98.9, r2 = -97.9, r3 = -37.9, r4 = -36.9,
 &end

# 89 GLU PSI:  (89 GLU N)-(89 GLU CA)-(89 GLU C)-(90 TRP N) -64.7  -4.7
 &rst     iat =  1290,  1292,  1303,  1305,
   r1 = -65.7, r2 = -64.7, r3 =  -4.7, r4 =  -3.7,
 &end

# 90 TRP PHI:  (89 GLU C)-(90 TRP N)-(90 TRP CA)-(90 TRP C) -101.5 -41.5
 &rst     iat =  1303,  1305,  1307,  1327,
   r1 = -102.5, r2 = -101.5, r3 = -41.5, r4 = -40.5,
 &end

# 90 TRP PSI:  (90 TRP N)-(90 TRP CA)-(90 TRP C)-(91 VAL N) -66.7  -6.7
 &rst     iat =  1305,  1307,  1327,  1329,
   r1 = -67.7, r2 = -66.7, r3 =  -6.7, r4 =  -5.7,
 &end

# 91 VAL PHI:  (90 TRP C)-(91 VAL N)-(91 VAL CA)-(91 VAL C) -127.1 -67.1
 &rst     iat =  1327,  1329,  1331,  1343,
   r1 = -128.1, r2 = -127.1, r3 = -67.1, r4 = -66.1,
 &end

# 91 VAL PSI:  (91 VAL N)-(91 VAL CA)-(91 VAL C)-(92 THR N) -34.0  26.0
 &rst     iat =  1329,  1331,  1343,  1345,
   r1 = -35.0, r2 = -34.0, r3 =  26.0, r4 =  27.0,
 &end

# 96 PHE PHI:  (95 ILE C)-(96 PHE N)-(96 PHE CA)-(96 PHE C) -151.4 -96.6
 &rst     iat =  1408,  1410,  1412,  1428,
   r1 = -152.4, r2 = -151.4, r3 = -96.6, r4 = -95.6,
 &end

# 96 PHE PSI:  (96 PHE N)-(96 PHE CA)-(96 PHE C)-(97 GLU N) 124.7 164.3
 &rst     iat =  1410,  1412,  1428,  1430,
   r1 = 123.7, r2 = 124.7, r3 = 164.3, r4 = 165.3,
 &end

# 97 GLU PHI:  (96 PHE C)-(97 GLU N)-(97 GLU CA)-(97 GLU C) -148.1 -135.4
 &rst     iat =  1428,  1430,  1432,  1443,
   r1 = -149.1, r2 = -148.1, r3 = -135.4, r4 = -134.4,
 &end

# 97 GLU PSI:  (97 GLU N)-(97 GLU CA)-(97 GLU C)-(98 ASP N) 135.2 162.5
 &rst     iat =  1430,  1432,  1443,  1445,
   r1 = 134.2, r2 = 135.2, r3 = 162.5, r4 = 163.5,
 &end

# 108 SER PHI:  (107 GLN C)-(108 SER N)-(108 SER CA)-(108 SER C) -127.1 -69.5
 &rst     iat =  1592,  1594,  1596,  1603,
   r1 = -128.1, r2 = -127.1, r3 = -69.5, r4 = -68.5,
 &end

# 108 SER PSI:  (108 SER N)-(108 SER CA)-(108 SER C)-(109 LEU N) 123.2 179.4
 &rst     iat =  1594,  1596,  1603,  1605,
   r1 = 122.2, r2 = 123.2, r3 = 179.4, r4 = 180.4,
 &end

# 109 LEU PHI:  (108 SER C)-(109 LEU N)-(109 LEU CA)-(109 LEU C) -67.5 -55.4
 &rst     iat =  1603,  1605,  1607,  1622,
   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) -48.2 -26.8
 &rst     iat =  1605,  1607,  1622,  1624,
   r1 = -49.2, r2 = -48.2, r3 = -26.8, r4 = -25.8,
 &end

# 110 GLU PHI:  (109 LEU C)-(110 GLU N)-(110 GLU CA)-(110 GLU C) -69.7 -57.1
 &rst     iat =  1622,  1624,  1626,  1637,
   r1 = -70.7, r2 = -69.7, r3 = -57.1, r4 = -56.1,
 &end

# 110 GLU PSI:  (110 GLU N)-(110 GLU CA)-(110 GLU C)-(111 VAL N) -44.2 -35.2
 &rst     iat =  1624,  1626,  1637,  1639,
   r1 = -45.2, r2 = -44.2, r3 = -35.2, r4 = -34.2,
 &end

# 111 VAL PHI:  (110 GLU C)-(111 VAL N)-(111 VAL CA)-(111 VAL C) -76.2 -61.9
 &rst     iat =  1637,  1639,  1641,  1653,
   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 =  1639,  1641,  1653,  1655,
   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) -67.1 -57.4
 &rst     iat =  1653,  1655,  1657,  1673,
   r1 = -68.1, r2 = -67.1, r3 = -57.4, r4 = -56.4,
 &end

# 112 PHE PSI:  (112 PHE N)-(112 PHE CA)-(112 PHE C)-(113 ARG N) -49.6 -38.9
 &rst     iat =  1655,  1657,  1673,  1675,
   r1 = -50.6, r2 = -49.6, r3 = -38.9, r4 = -37.9,
 &end

# 113 ARG PHI:  (112 PHE C)-(113 ARG N)-(113 ARG CA)-(113 ARG C) -73.0 -59.2
 &rst     iat =  1673,  1675,  1677,  1697,
   r1 = -74.0, r2 = -73.0, r3 = -59.2, r4 = -58.2,
 &end

# 113 ARG PSI:  (113 ARG N)-(113 ARG CA)-(113 ARG C)-(114 THR N) -44.0 -29.1
 &rst     iat =  1675,  1677,  1697,  1699,
   r1 = -45.0, r2 = -44.0, r3 = -29.1, r4 = -28.1,
 &end

# 114 THR PHI:  (113 ARG C)-(114 THR N)-(114 THR CA)-(114 THR C) -75.1 -58.9
 &rst     iat =  1697,  1699,  1701,  1711,
   r1 = -76.1, r2 = -75.1, r3 = -58.9, r4 = -57.9,
 &end

# 114 THR PSI:  (114 THR N)-(114 THR CA)-(114 THR C)-(115 VAL N) -48.8 -32.0
 &rst     iat =  1699,  1701,  1711,  1713,
   r1 = -49.8, r2 = -48.8, r3 = -32.0, r4 = -31.0,
 &end

# 115 VAL PHI:  (114 THR C)-(115 VAL N)-(115 VAL CA)-(115 VAL C) -95.6 -35.6
 &rst     iat =  1711,  1713,  1715,  1727,
   r1 = -96.6, r2 = -95.6, r3 = -35.6, r4 = -34.6,
 &end

# 115 VAL PSI:  (115 VAL N)-(115 VAL CA)-(115 VAL C)-(116 ARG N) -73.1 -13.1
 &rst     iat =  1713,  1715,  1727,  1729,
   r1 = -74.1, r2 = -73.1, r3 = -13.1, r4 = -12.1,
 &end

# 116 ARG PHI:  (115 VAL C)-(116 ARG N)-(116 ARG CA)-(116 ARG C) -78.3 -57.4
 &rst     iat =  1727,  1729,  1731,  1751,
   r1 = -79.3, r2 = -78.3, r3 = -57.4, r4 = -56.4,
 &end

# 116 ARG PSI:  (116 ARG N)-(116 ARG CA)-(116 ARG C)-(117 GLY N) -50.5 -27.8
 &rst     iat =  1729,  1731,  1751,  1753,
   r1 = -51.5, r2 = -50.5, r3 = -27.8, r4 = -26.8,
 &end

# 117 GLY PHI:  (116 ARG C)-(117 GLY N)-(117 GLY CA)-(117 GLY C) -70.6 -52.7
 &rst     iat =  1751,  1753,  1755,  1758,
   r1 = -71.6, r2 = -70.6, r3 = -52.7, r4 = -51.7,
 &end

# 117 GLY PSI:  (117 GLY N)-(117 GLY CA)-(117 GLY C)-(118 GLN N) -54.1 -21.3
 &rst     iat =  1753,  1755,  1758,  1760,
   r1 = -55.1, r2 = -54.1, r3 = -21.3, r4 = -20.3,
 &end

# 118 GLN PHI:  (117 GLY C)-(118 GLN N)-(118 GLN CA)-(118 GLN C) -97.6 -37.6
 &rst     iat =  1758,  1760,  1762,  1775,
   r1 = -98.6, r2 = -97.6, r3 = -37.6, r4 = -36.6,
 &end

# 118 GLN PSI:  (118 GLN N)-(118 GLN CA)-(118 GLN C)-(119 VAL N) -67.1  -7.1
 &rst     iat =  1760,  1762,  1775,  1777,
   r1 = -68.1, r2 = -67.1, r3 =  -7.1, r4 =  -6.1,
 &end

# 119 VAL PHI:  (118 GLN C)-(119 VAL N)-(119 VAL CA)-(119 VAL C) -74.4 -63.6
 &rst     iat =  1775,  1777,  1779,  1791,
   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 =  1777,  1779,  1791,  1793,
   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 =  1791,  1793,  1795,  1813,
   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 =  1793,  1795,  1813,  1815,
   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) -71.8 -58.7
 &rst     iat =  1813,  1815,  1817,  1828,
   r1 = -72.8, r2 = -71.8, r3 = -58.7, r4 = -57.7,
 &end

# 121 GLU PSI:  (121 GLU N)-(121 GLU CA)-(121 GLU C)-(122 ARG N) -42.4 -24.1
 &rst     iat =  1815,  1817,  1828,  1830,
   r1 = -43.4, r2 = -42.4, r3 = -24.1, r4 = -23.1,
 &end

# 122 ARG PHI:  (121 GLU C)-(122 ARG N)-(122 ARG CA)-(122 ARG C) -74.3 -55.5
 &rst     iat =  1828,  1830,  1832,  1852,
   r1 = -75.3, r2 = -74.3, r3 = -55.5, r4 = -54.5,
 &end

# 122 ARG PSI:  (122 ARG N)-(122 ARG CA)-(122 ARG C)-(123 VAL N) -47.4 -31.5
 &rst     iat =  1830,  1832,  1852,  1854,
   r1 = -48.4, r2 = -47.4, r3 = -31.5, r4 = -30.5,
 &end

# 123 VAL PHI:  (122 ARG C)-(123 VAL N)-(123 VAL CA)-(123 VAL C) -76.6 -59.7
 &rst     iat =  1852,  1854,  1856,  1868,
   r1 = -77.6, r2 = -76.6, r3 = -59.7, r4 = -58.7,
 &end

# 123 VAL PSI:  (123 VAL N)-(123 VAL CA)-(123 VAL C)-(124 GLU N) -46.9 -37.8
 &rst     iat =  1854,  1856,  1868,  1870,
   r1 = -47.9, r2 = -46.9, r3 = -37.8, r4 = -36.8,
 &end

# 124 GLU PHI:  (123 VAL C)-(124 GLU N)-(124 GLU CA)-(124 GLU C) -68.1 -58.7
 &rst     iat =  1868,  1870,  1872,  1883,
   r1 = -69.1, r2 = -68.1, r3 = -58.7, r4 = -57.7,
 &end

# 124 GLU PSI:  (124 GLU N)-(124 GLU CA)-(124 GLU C)-(125 ASN N) -45.9 -33.6
 &rst     iat =  1870,  1872,  1883,  1885,
   r1 = -46.9, r2 = -45.9, r3 = -33.6, r4 = -32.6,
 &end

# 125 ASN PHI:  (124 GLU C)-(125 ASN N)-(125 ASN CA)-(125 ASN C) -71.7 -58.4
 &rst     iat =  1883,  1885,  1887,  1897,
   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 =  1885,  1887,  1897,  1899,
   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) -72.5 -58.3
 &rst     iat =  1897,  1899,  1901,  1916,
   r1 = -73.5, r2 = -72.5, r3 = -58.3, r4 = -57.3,
 &end

# 126 LEU PSI:  (126 LEU N)-(126 LEU CA)-(126 LEU C)-(127 ILE N) -49.2 -34.6
 &rst     iat =  1899,  1901,  1916,  1918,
   r1 = -50.2, r2 = -49.2, r3 = -34.6, r4 = -33.6,
 &end

# 127 ILE PHI:  (126 LEU C)-(127 ILE N)-(127 ILE CA)-(127 ILE C) -69.9 -58.7
 &rst     iat =  1916,  1918,  1920,  1935,
   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 =  1918,  1920,  1935,  1937,
   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) -75.0 -55.5
 &rst     iat =  1935,  1937,  1939,  1945,
   r1 = -76.0, r2 = -75.0, r3 = -55.5, r4 = -54.5,
 &end

# 128 ALA PSI:  (128 ALA N)-(128 ALA CA)-(128 ALA C)-(129 LYS N) -46.0 -23.3
 &rst     iat =  1937,  1939,  1945,  1947,
   r1 = -47.0, r2 = -46.0, r3 = -23.3, r4 = -22.3,
 &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=133,141,136,137, &end
#
#  chirality for residue 9 atoms:  CA CG HB2 HB3
 &rst iat=145,150,148,149, &end
#
#  chirality for residue 9 atoms:  CB CD HG2 HG3
 &rst iat=147,153,151,152, &end
#
#  chirality for residue 9 atoms:  CD NZ HE2 HE3
 &rst iat=153,159,157,158, &end
#
#  chirality for residue 9 atoms:  CG CE HD2 HD3
 &rst iat=150,156,154,155, &end
#
#  chirality for residue 9 atoms:  N C HA CB
 &rst iat=143,163,146,147, &end
#
#  chirality for residue 10 atoms:  CA CG HB2 HB3
 &rst iat=167,172,170,171, &end
#
#  chirality for residue 10 atoms:  CB CD HG2 HG3
 &rst iat=169,175,173,174, &end
#
#  chirality for residue 10 atoms:  CG NE HD2 HD3
 &rst iat=172,178,176,177, &end
#
#  chirality for residue 10 atoms:  N C HA CB
 &rst iat=165,187,168,169, &end
#
#  chirality for residue 11 atoms:  CA CG HB2 HB3
 &rst iat=191,196,194,195, &end
#
#  chirality for residue 11 atoms:  N C HA CB
 &rst iat=189,201,192,193, &end
#
#  chirality for residue 12 atoms:  CA OG HB2 HB3
 &rst iat=205,210,208,209, &end
#
#  chirality for residue 12 atoms:  N C HA CB
 &rst iat=203,212,206,207, &end
#
#  chirality for residue 13 atoms:  CA OG HB2 HB3
 &rst iat=216,221,219,220, &end
#
#  chirality for residue 13 atoms:  N C HA CB
 &rst iat=214,223,217,218, &end
#
#  chirality for residue 14 atoms:  CA CG HB2 HB3
 &rst iat=227,232,230,231, &end
#
#  chirality for residue 14 atoms:  CB CD HG2 HG3
 &rst iat=229,235,233,234, &end
#
#  chirality for residue 14 atoms:  CG NE HD2 HD3
 &rst iat=232,238,236,237, &end
#
#  chirality for residue 14 atoms:  N C HA CB
 &rst iat=225,247,228,229, &end
#
#  chirality for residue 15 atoms:  CA OG HB2 HB3
 &rst iat=251,256,254,255, &end
#
#  chirality for residue 15 atoms:  N C HA CB
 &rst iat=249,258,252,253, &end
#
#  chirality for residue 16 atoms:  CA CG HB2 HB3
 &rst iat=262,267,265,266, &end
#
#  chirality for residue 16 atoms:  CB CD HG2 HG3
 &rst iat=264,270,268,269, &end
#
#  chirality for residue 16 atoms:  N C HA CB
 &rst iat=260,275,263,264, &end
#
#  chirality for residue 17 atoms:  CA CG HB2 HB3
 &rst iat=279,284,282,283, &end
#
#  chirality for residue 17 atoms:  CB SD HG2 HG3
 &rst iat=281,287,285,286, &end
#
#  chirality for residue 17 atoms:  N C HA CB
 &rst iat=277,292,280,281, &end
#
#  chirality for residue 18 atoms:  N C HA CB
 &rst iat=294,302,297,298, &end
#
#  chirality for residue 19 atoms:  CA CG HB2 HB3
 &rst iat=306,311,309,310, &end
#
#  chirality for residue 19 atoms:  CB CD HG2 HG3
 &rst iat=308,314,312,313, &end
#
#  chirality for residue 19 atoms:  N C HA CB
 &rst iat=304,317,307,308, &end
#
#  chirality for residue 20 atoms:  N C HA2 HA3
 &rst iat=319,324,322,323, &end
#
#  chirality for residue 21 atoms:  CA CG HB2 HB3
 &rst iat=328,333,331,332, &end
#
#  chirality for residue 21 atoms:  N C HA CB
 &rst iat=326,344,329,330, &end
#
#  chirality for residue 22 atoms:  N C HA CB
 &rst iat=346,354,349,350, &end
#
#  chirality for residue 23 atoms:  CA CG HB2 HB3
 &rst iat=358,363,361,362, &end
#
#  chirality for residue 23 atoms:  CB CD HG2 HG3
 &rst iat=360,366,364,365, &end
#
#  chirality for residue 23 atoms:  CD NZ HE2 HE3
 &rst iat=366,372,370,371, &end
#
#  chirality for residue 23 atoms:  CG CE HD2 HD3
 &rst iat=363,369,367,368, &end
#
#  chirality for residue 23 atoms:  N C HA CB
 &rst iat=356,376,359,360, &end
#
#  chirality for residue 24 atoms:  CA CG2 OG1 HB
 &rst iat=380,384,388,383, &end
#
#  chirality for residue 24 atoms:  N C HA CB
 &rst iat=378,390,381,382, &end
#
#  chirality for residue 25 atoms:  CA CG HB2 HB3
 &rst iat=394,399,397,398, &end
#
#  chirality for residue 25 atoms:  CB CD1 CD2 HG
 &rst iat=396,401,405,400, &end
#
#  chirality for residue 25 atoms:  N C HA CB
 &rst iat=392,409,395,396, &end
#
#  chirality for residue 26 atoms:  N C HA2 HA3
 &rst iat=411,416,414,415, &end
#
#  chirality for residue 27 atoms:  N C HA CB
 &rst iat=418,426,421,422, &end
#
#  chirality for residue 28 atoms:  N C HA2 HA3
 &rst iat=428,433,431,432, &end
#
#  chirality for residue 29 atoms:  CA CG HB2 HB3
 &rst iat=437,442,440,441, &end
#
#  chirality for residue 29 atoms:  CB CD HG2 HG3
 &rst iat=439,445,443,444, &end
#
#  chirality for residue 29 atoms:  CD NZ HE2 HE3
 &rst iat=445,451,449,450, &end
#
#  chirality for residue 29 atoms:  CG CE HD2 HD3
 &rst iat=442,448,446,447, &end
#
#  chirality for residue 29 atoms:  N C HA CB
 &rst iat=435,455,438,439, &end
#
#  chirality for residue 30 atoms:  CA CG2 CG1 HB
 &rst iat=459,463,467,462, &end
#
#  chirality for residue 30 atoms:  CB CD1 HG12 HG13
 &rst iat=461,470,468,469, &end
#
#  chirality for residue 30 atoms:  N C HA CB
 &rst iat=457,474,460,461, &end
#
#  chirality for residue 31 atoms:  N C HA CB
 &rst iat=476,484,479,480, &end
#
#  chirality for residue 32 atoms:  CA CG1 CG2 HB
 &rst iat=488,492,496,491, &end
#
#  chirality for residue 32 atoms:  N C HA CB
 &rst iat=486,500,489,490, &end
#
#  chirality for residue 33 atoms:  CA CG2 OG1 HB
 &rst iat=504,508,512,507, &end
#
#  chirality for residue 33 atoms:  N C HA CB
 &rst iat=502,514,505,506, &end
#
#  chirality for residue 34 atoms:  CA OG HB2 HB3
 &rst iat=518,523,521,522, &end
#
#  chirality for residue 34 atoms:  N C HA CB
 &rst iat=516,525,519,520, &end
#
#  chirality for residue 35 atoms:  CA OG HB2 HB3
 &rst iat=529,534,532,533, &end
#
#  chirality for residue 35 atoms:  N C HA CB
 &rst iat=527,536,530,531, &end
#
#  chirality for residue 36 atoms:  N C HA2 HA3
 &rst iat=538,543,541,542, &end
#
#  chirality for residue 37 atoms:  CA CG HB2 HB3
 &rst iat=547,552,550,551, &end
#
#  chirality for residue 37 atoms:  CB CD1 CD2 HG
 &rst iat=549,554,558,553, &end
#
#  chirality for residue 37 atoms:  N C HA CB
 &rst iat=545,562,548,549, &end
#
#  chirality for residue 38 atoms:  CA CG HB2 HB3
 &rst iat=566,571,569,570, &end
#
#  chirality for residue 38 atoms:  CB CD HG2 HG3
 &rst iat=568,574,572,573, &end
#
#  chirality for residue 38 atoms:  N C HA CB
 &rst iat=564,577,567,568, &end
#
#  chirality for residue 39 atoms:  CA OG HB2 HB3
 &rst iat=581,586,584,585, &end
#
#  chirality for residue 39 atoms:  N C HA CB
 &rst iat=579,588,582,583, &end
#
#  chirality for residue 40 atoms:  CA OG HB2 HB3
 &rst iat=592,597,595,596, &end
#
#  chirality for residue 40 atoms:  N C HA CB
 &rst iat=590,599,593,594, &end
#
#  chirality for residue 41 atoms:  CA CG HB2 HB3
 &rst iat=603,608,606,607, &end
#
#  chirality for residue 41 atoms:  CB CD HG2 HG3
 &rst iat=605,611,609,610, &end
#
#  chirality for residue 41 atoms:  CG NE HD2 HD3
 &rst iat=608,614,612,613, &end
#
#  chirality for residue 41 atoms:  N C HA CB
 &rst iat=601,623,604,605, &end
#
#  chirality for residue 42 atoms:  CA CG1 CG2 HB
 &rst iat=627,631,635,630, &end
#
#  chirality for residue 42 atoms:  N C HA CB
 &rst iat=625,639,628,629, &end
#
#  chirality for residue 43 atoms:  CA CG HB2 HB3
 &rst iat=643,648,646,647, &end
#
#  chirality for residue 43 atoms:  N C HA CB
 &rst iat=641,656,644,645, &end
#
#  chirality for residue 44 atoms:  CA CG HB2 HB3
 &rst iat=668,662,666,667, &end
#
#  chirality for residue 44 atoms:  CB CD HG2 HG3
 &rst iat=665,659,663,664, &end
#
#  chirality for residue 44 atoms:  CG N HD2 HD3
 &rst iat=662,658,660,661, &end
#
#  chirality for residue 44 atoms:  N C HA CB
 &rst iat=658,670,669,665, &end
#
#  chirality for residue 45 atoms:  CA CG2 OG1 HB
 &rst iat=674,678,682,677, &end
#
#  chirality for residue 45 atoms:  N C HA CB
 &rst iat=672,684,675,676, &end
#
#  chirality for residue 46 atoms:  N C HA CB
 &rst iat=686,694,689,690, &end
#
#  chirality for residue 47 atoms:  CA CG2 CG1 HB
 &rst iat=698,702,706,701, &end
#
#  chirality for residue 47 atoms:  CB CD1 HG12 HG13
 &rst iat=700,709,707,708, &end
#
#  chirality for residue 47 atoms:  N C HA CB
 &rst iat=696,713,699,700, &end
#
#  chirality for residue 48 atoms:  N C HA CB
 &rst iat=715,723,718,719, &end
#
#  chirality for residue 49 atoms:  CA CG HB2 HB3
 &rst iat=727,732,730,731, &end
#
#  chirality for residue 49 atoms:  CB SD HG2 HG3
 &rst iat=729,735,733,734, &end
#
#  chirality for residue 49 atoms:  N C HA CB
 &rst iat=725,740,728,729, &end
#
#  chirality for residue 50 atoms:  CA CG HB2 HB3
 &rst iat=744,749,747,748, &end
#
#  chirality for residue 50 atoms:  CB SD HG2 HG3
 &rst iat=746,752,750,751, &end
#
#  chirality for residue 50 atoms:  N C HA CB
 &rst iat=742,757,745,746, &end
#
#  chirality for residue 51 atoms:  CA CG HB2 HB3
 &rst iat=761,766,764,765, &end
#
#  chirality for residue 51 atoms:  CB CD HG2 HG3
 &rst iat=763,769,767,768, &end
#
#  chirality for residue 51 atoms:  N C HA CB
 &rst iat=759,772,762,763, &end
#
#  chirality for residue 52 atoms:  CA CG HB2 HB3
 &rst iat=776,781,779,780, &end
#
#  chirality for residue 52 atoms:  CB CD HG2 HG3
 &rst iat=778,784,782,783, &end
#
#  chirality for residue 52 atoms:  N C HA CB
 &rst iat=774,787,777,778, &end
#
#  chirality for residue 53 atoms:  CA CG1 CG2 HB
 &rst iat=791,795,799,794, &end
#
#  chirality for residue 53 atoms:  N C HA CB
 &rst iat=789,803,792,793, &end
#
#  chirality for residue 54 atoms:  N C HA2 HA3
 &rst iat=805,810,808,809, &end
#
#  chirality for residue 55 atoms:  CA CG2 CG1 HB
 &rst iat=814,818,822,817, &end
#
#  chirality for residue 55 atoms:  CB CD1 HG12 HG13
 &rst iat=816,825,823,824, &end
#
#  chirality for residue 55 atoms:  N C HA CB
 &rst iat=812,829,815,816, &end
#
#  chirality for residue 56 atoms:  CA CG HB2 HB3
 &rst iat=833,838,836,837, &end
#
#  chirality for residue 56 atoms:  N C HA CB
 &rst iat=831,841,834,835, &end
#
#  chirality for residue 57 atoms:  CA CG2 CG1 HB
 &rst iat=845,849,853,848, &end
#
#  chirality for residue 57 atoms:  CB CD1 HG12 HG13
 &rst iat=847,856,854,855, &end
#
#  chirality for residue 57 atoms:  N C HA CB
 &rst iat=843,860,846,847, &end
#
#  chirality for residue 58 atoms:  CA OG HB2 HB3
 &rst iat=864,869,867,868, &end
#
#  chirality for residue 58 atoms:  N C HA CB
 &rst iat=862,871,865,866, &end
#
#  chirality for residue 59 atoms:  N C HA2 HA3
 &rst iat=873,878,876,877, &end
#
#  chirality for residue 60 atoms:  CA CG HB2 HB3
 &rst iat=882,887,885,886, &end
#
#  chirality for residue 60 atoms:  CB CD HG2 HG3
 &rst iat=884,890,888,889, &end
#
#  chirality for residue 60 atoms:  N C HA CB
 &rst iat=880,895,883,884, &end
#
#  chirality for residue 61 atoms:  CA CG2 OG1 HB
 &rst iat=899,903,907,902, &end
#
#  chirality for residue 61 atoms:  N C HA CB
 &rst iat=897,909,900,901, &end
#
#  chirality for residue 62 atoms:  CA OG HB2 HB3
 &rst iat=913,918,916,917, &end
#
#  chirality for residue 62 atoms:  N C HA CB
 &rst iat=911,920,914,915, &end
#
#  chirality for residue 63 atoms:  CA CG HB2 HB3
 &rst iat=924,929,927,928, &end
#
#  chirality for residue 63 atoms:  N C HA CB
 &rst iat=922,932,925,926, &end
#
#  chirality for residue 64 atoms:  CA CG HB2 HB3
 &rst iat=944,938,942,943, &end
#
#  chirality for residue 64 atoms:  CB CD HG2 HG3
 &rst iat=941,935,939,940, &end
#
#  chirality for residue 64 atoms:  CG N HD2 HD3
 &rst iat=938,934,936,937, &end
#
#  chirality for residue 64 atoms:  N C HA CB
 &rst iat=934,946,945,941, &end
#
#  chirality for residue 65 atoms:  CA CG2 CG1 HB
 &rst iat=950,954,958,953, &end
#
#  chirality for residue 65 atoms:  CB CD1 HG12 HG13
 &rst iat=952,961,959,960, &end
#
#  chirality for residue 65 atoms:  N C HA CB
 &rst iat=948,965,951,952, &end
#
#  chirality for residue 66 atoms:  CA CG HB2 HB3
 &rst iat=969,974,972,973, &end
#
#  chirality for residue 66 atoms:  CB CD HG2 HG3
 &rst iat=971,977,975,976, &end
#
#  chirality for residue 66 atoms:  N C HA CB
 &rst iat=967,980,970,971, &end
#
#  chirality for residue 67 atoms:  CA CG HB2 HB3
 &rst iat=984,989,987,988, &end
#
#  chirality for residue 67 atoms:  N C HA CB
 &rst iat=982,994,985,986, &end
#
#  chirality for residue 68 atoms:  CA CG HB2 HB3
 &rst iat=998,1003,1001,1002, &end
#
#  chirality for residue 68 atoms:  N C HA CB
 &rst iat=996,1014,999,1000, &end
#
#  chirality for residue 69 atoms:  CA CG HB2 HB3
 &rst iat=1018,1023,1021,1022, &end
#
#  chirality for residue 69 atoms:  N C HA CB
 &rst iat=1016,1028,1019,1020, &end
#
#  chirality for residue 70 atoms:  N C HA CB
 &rst iat=1030,1038,1033,1034, &end
#
#  chirality for residue 71 atoms:  CA CG HB2 HB3
 &rst iat=1042,1047,1045,1046, &end
#
#  chirality for residue 71 atoms:  N C HA CB
 &rst iat=1040,1050,1043,1044, &end
#
#  chirality for residue 72 atoms:  CA CG HB2 HB3
 &rst iat=1054,1059,1057,1058, &end
#
#  chirality for residue 72 atoms:  N C HA CB
 &rst iat=1052,1062,1055,1056, &end
#
#  chirality for residue 73 atoms:  CA CG HB2 HB3
 &rst iat=1066,1071,1069,1070, &end
#
#  chirality for residue 73 atoms:  N C HA CB
 &rst iat=1064,1083,1067,1068, &end
#
#  chirality for residue 74 atoms:  CA CG HB2 HB3
 &rst iat=1087,1092,1090,1091, &end
#
#  chirality for residue 74 atoms:  N C HA CB
 &rst iat=1085,1095,1088,1089, &end
#
#  chirality for residue 75 atoms:  CA CG1 CG2 HB
 &rst iat=1099,1103,1107,1102, &end
#
#  chirality for residue 75 atoms:  N C HA CB
 &rst iat=1097,1111,1100,1101, &end
#
#  chirality for residue 76 atoms:  CA CG1 CG2 HB
 &rst iat=1115,1119,1123,1118, &end
#
#  chirality for residue 76 atoms:  N C HA CB
 &rst iat=1113,1127,1116,1117, &end
#
#  chirality for residue 77 atoms:  CA CG2 CG1 HB
 &rst iat=1131,1135,1139,1134, &end
#
#  chirality for residue 77 atoms:  CB CD1 HG12 HG13
 &rst iat=1133,1142,1140,1141, &end
#
#  chirality for residue 77 atoms:  N C HA CB
 &rst iat=1129,1146,1132,1133, &end
#
#  chirality for residue 78 atoms:  CA OG HB2 HB3
 &rst iat=1150,1155,1153,1154, &end
#
#  chirality for residue 78 atoms:  N C HA CB
 &rst iat=1148,1157,1151,1152, &end
#
#  chirality for residue 79 atoms:  CA CG HB2 HB3
 &rst iat=1161,1166,1164,1165, &end
#
#  chirality for residue 79 atoms:  CB CD1 CD2 HG
 &rst iat=1163,1168,1172,1167, &end
#
#  chirality for residue 79 atoms:  N C HA CB
 &rst iat=1159,1176,1162,1163, &end
#
#  chirality for residue 80 atoms:  CA SG HB2 HB3
 &rst iat=1180,1185,1183,1184, &end
#
#  chirality for residue 80 atoms:  N C HA CB
 &rst iat=1178,1186,1181,1182, &end
#
#  chirality for residue 81 atoms:  N C HA2 HA3
 &rst iat=1188,1193,1191,1192, &end
#
#  chirality for residue 82 atoms:  CA OG HB2 HB3
 &rst iat=1197,1202,1200,1201, &end
#
#  chirality for residue 82 atoms:  N C HA CB
 &rst iat=1195,1204,1198,1199, &end
#
#  chirality for residue 83 atoms:  N C HA2 HA3
 &rst iat=1206,1211,1209,1210, &end
#
#  chirality for residue 84 atoms:  CA CG1 CG2 HB
 &rst iat=1215,1219,1223,1218, &end
#
#  chirality for residue 84 atoms:  N C HA CB
 &rst iat=1213,1227,1216,1217, &end
#
#  chirality for residue 85 atoms:  CA CG HB2 HB3
 &rst iat=1231,1236,1234,1235, &end
#
#  chirality for residue 85 atoms:  N C HA CB
 &rst iat=1229,1241,1232,1233, &end
#
#  chirality for residue 86 atoms:  CA CG HB2 HB3
 &rst iat=1245,1250,1248,1249, &end
#
#  chirality for residue 86 atoms:  CB CD1 CD2 HG
 &rst iat=1247,1252,1256,1251, &end
#
#  chirality for residue 86 atoms:  N C HA CB
 &rst iat=1243,1260,1246,1247, &end
#
#  chirality for residue 87 atoms:  CA CG HB2 HB3
 &rst iat=1272,1266,1270,1271, &end
#
#  chirality for residue 87 atoms:  CB CD HG2 HG3
 &rst iat=1269,1263,1267,1268, &end
#
#  chirality for residue 87 atoms:  CG N HD2 HD3
 &rst iat=1266,1262,1264,1265, &end
#
#  chirality for residue 87 atoms:  N C HA CB
 &rst iat=1262,1274,1273,1269, &end
#
#  chirality for residue 88 atoms:  CA CG HB2 HB3
 &rst iat=1286,1280,1284,1285, &end
#
#  chirality for residue 88 atoms:  CB CD HG2 HG3
 &rst iat=1283,1277,1281,1282, &end
#
#  chirality for residue 88 atoms:  CG N HD2 HD3
 &rst iat=1280,1276,1278,1279, &end
#
#  chirality for residue 88 atoms:  N C HA CB
 &rst iat=1276,1288,1287,1283, &end
#
#  chirality for residue 89 atoms:  CA CG HB2 HB3
 &rst iat=1292,1297,1295,1296, &end
#
#  chirality for residue 89 atoms:  CB CD HG2 HG3
 &rst iat=1294,1300,1298,1299, &end
#
#  chirality for residue 89 atoms:  N C HA CB
 &rst iat=1290,1303,1293,1294, &end
#
#  chirality for residue 90 atoms:  CA CG HB2 HB3
 &rst iat=1307,1312,1310,1311, &end
#
#  chirality for residue 90 atoms:  N C HA CB
 &rst iat=1305,1327,1308,1309, &end
#
#  chirality for residue 91 atoms:  CA CG1 CG2 HB
 &rst iat=1331,1335,1339,1334, &end
#
#  chirality for residue 91 atoms:  N C HA CB
 &rst iat=1329,1343,1332,1333, &end
#
#  chirality for residue 92 atoms:  CA CG2 OG1 HB
 &rst iat=1347,1351,1355,1350, &end
#
#  chirality for residue 92 atoms:  N C HA CB
 &rst iat=1345,1357,1348,1349, &end
#
#  chirality for residue 93 atoms:  CA CG HB2 HB3
 &rst iat=1361,1366,1364,1365, &end
#
#  chirality for residue 93 atoms:  CB CD HG2 HG3
 &rst iat=1363,1369,1367,1368, &end
#
#  chirality for residue 93 atoms:  N C HA CB
 &rst iat=1359,1374,1362,1363, &end
#
#  chirality for residue 94 atoms:  CA CG HB2 HB3
 &rst iat=1378,1383,1381,1382, &end
#
#  chirality for residue 94 atoms:  CB CD HG2 HG3
 &rst iat=1380,1386,1384,1385, &end
#
#  chirality for residue 94 atoms:  N C HA CB
 &rst iat=1376,1389,1379,1380, &end
#
#  chirality for residue 95 atoms:  CA CG2 CG1 HB
 &rst iat=1393,1397,1401,1396, &end
#
#  chirality for residue 95 atoms:  CB CD1 HG12 HG13
 &rst iat=1395,1404,1402,1403, &end
#
#  chirality for residue 95 atoms:  N C HA CB
 &rst iat=1391,1408,1394,1395, &end
#
#  chirality for residue 96 atoms:  CA CG HB2 HB3
 &rst iat=1412,1417,1415,1416, &end
#
#  chirality for residue 96 atoms:  N C HA CB
 &rst iat=1410,1428,1413,1414, &end
#
#  chirality for residue 97 atoms:  CA CG HB2 HB3
 &rst iat=1432,1437,1435,1436, &end
#
#  chirality for residue 97 atoms:  CB CD HG2 HG3
 &rst iat=1434,1440,1438,1439, &end
#
#  chirality for residue 97 atoms:  N C HA CB
 &rst iat=1430,1443,1433,1434, &end
#
#  chirality for residue 98 atoms:  CA CG HB2 HB3
 &rst iat=1447,1452,1450,1451, &end
#
#  chirality for residue 98 atoms:  N C HA CB
 &rst iat=1445,1455,1448,1449, &end
#
#  chirality for residue 99 atoms:  CA CG HB2 HB3
 &rst iat=1459,1464,1462,1463, &end
#
#  chirality for residue 99 atoms:  N C HA CB
 &rst iat=1457,1479,1460,1461, &end
#
#  chirality for residue 100 atoms:  CA CG HB2 HB3
 &rst iat=1483,1488,1486,1487, &end
#
#  chirality for residue 100 atoms:  CB CD HG2 HG3
 &rst iat=1485,1491,1489,1490, &end
#
#  chirality for residue 100 atoms:  N C HA CB
 &rst iat=1481,1496,1484,1485, &end
#
#  chirality for residue 101 atoms:  CA CG HB2 HB3
 &rst iat=1500,1505,1503,1504, &end
#
#  chirality for residue 101 atoms:  CB CD1 CD2 HG
 &rst iat=1502,1507,1511,1506, &end
#
#  chirality for residue 101 atoms:  N C HA CB
 &rst iat=1498,1515,1501,1502, &end
#
#  chirality for residue 102 atoms:  CA CG HB2 HB3
 &rst iat=1519,1524,1522,1523, &end
#
#  chirality for residue 102 atoms:  CB CD HG2 HG3
 &rst iat=1521,1527,1525,1526, &end
#
#  chirality for residue 102 atoms:  N C HA CB
 &rst iat=1517,1530,1520,1521, &end
#
#  chirality for residue 103 atoms:  CA CG HB2 HB3
 &rst iat=1534,1539,1537,1538, &end
#
#  chirality for residue 103 atoms:  N C HA CB
 &rst iat=1532,1542,1535,1536, &end
#
#  chirality for residue 104 atoms:  CA CG HB2 HB3
 &rst iat=1554,1548,1552,1553, &end
#
#  chirality for residue 104 atoms:  CB CD HG2 HG3
 &rst iat=1551,1545,1549,1550, &end
#
#  chirality for residue 104 atoms:  CG N HD2 HD3
 &rst iat=1548,1544,1546,1547, &end
#
#  chirality for residue 104 atoms:  N C HA CB
 &rst iat=1544,1556,1555,1551, &end
#
#  chirality for residue 105 atoms:  CA CG HB2 HB3
 &rst iat=1560,1565,1563,1564, &end
#
#  chirality for residue 105 atoms:  N C HA CB
 &rst iat=1558,1568,1561,1562, &end
#
#  chirality for residue 106 atoms:  N C HA2 HA3
 &rst iat=1570,1575,1573,1574, &end
#
#  chirality for residue 107 atoms:  CA CG HB2 HB3
 &rst iat=1579,1584,1582,1583, &end
#
#  chirality for residue 107 atoms:  CB CD HG2 HG3
 &rst iat=1581,1587,1585,1586, &end
#
#  chirality for residue 107 atoms:  N C HA CB
 &rst iat=1577,1592,1580,1581, &end
#
#  chirality for residue 108 atoms:  CA OG HB2 HB3
 &rst iat=1596,1601,1599,1600, &end
#
#  chirality for residue 108 atoms:  N C HA CB
 &rst iat=1594,1603,1597,1598, &end
#
#  chirality for residue 109 atoms:  CA CG HB2 HB3
 &rst iat=1607,1612,1610,1611, &end
#
#  chirality for residue 109 atoms:  CB CD1 CD2 HG
 &rst iat=1609,1614,1618,1613, &end
#
#  chirality for residue 109 atoms:  N C HA CB
 &rst iat=1605,1622,1608,1609, &end
#
#  chirality for residue 110 atoms:  CA CG HB2 HB3
 &rst iat=1626,1631,1629,1630, &end
#
#  chirality for residue 110 atoms:  CB CD HG2 HG3
 &rst iat=1628,1634,1632,1633, &end
#
#  chirality for residue 110 atoms:  N C HA CB
 &rst iat=1624,1637,1627,1628, &end
#
#  chirality for residue 111 atoms:  CA CG1 CG2 HB
 &rst iat=1641,1645,1649,1644, &end
#
#  chirality for residue 111 atoms:  N C HA CB
 &rst iat=1639,1653,1642,1643, &end
#
#  chirality for residue 112 atoms:  CA CG HB2 HB3
 &rst iat=1657,1662,1660,1661, &end
#
#  chirality for residue 112 atoms:  N C HA CB
 &rst iat=1655,1673,1658,1659, &end
#
#  chirality for residue 113 atoms:  CA CG HB2 HB3
 &rst iat=1677,1682,1680,1681, &end
#
#  chirality for residue 113 atoms:  CB CD HG2 HG3
 &rst iat=1679,1685,1683,1684, &end
#
#  chirality for residue 113 atoms:  CG NE HD2 HD3
 &rst iat=1682,1688,1686,1687, &end
#
#  chirality for residue 113 atoms:  N C HA CB
 &rst iat=1675,1697,1678,1679, &end
#
#  chirality for residue 114 atoms:  CA CG2 OG1 HB
 &rst iat=1701,1705,1709,1704, &end
#
#  chirality for residue 114 atoms:  N C HA CB
 &rst iat=1699,1711,1702,1703, &end
#
#  chirality for residue 115 atoms:  CA CG1 CG2 HB
 &rst iat=1715,1719,1723,1718, &end
#
#  chirality for residue 115 atoms:  N C HA CB
 &rst iat=1713,1727,1716,1717, &end
#
#  chirality for residue 116 atoms:  CA CG HB2 HB3
 &rst iat=1731,1736,1734,1735, &end
#
#  chirality for residue 116 atoms:  CB CD HG2 HG3
 &rst iat=1733,1739,1737,1738, &end
#
#  chirality for residue 116 atoms:  CG NE HD2 HD3
 &rst iat=1736,1742,1740,1741, &end
#
#  chirality for residue 116 atoms:  N C HA CB
 &rst iat=1729,1751,1732,1733, &end
#
#  chirality for residue 117 atoms:  N C HA2 HA3
 &rst iat=1753,1758,1756,1757, &end
#
#  chirality for residue 118 atoms:  CA CG HB2 HB3
 &rst iat=1762,1767,1765,1766, &end
#
#  chirality for residue 118 atoms:  CB CD HG2 HG3
 &rst iat=1764,1770,1768,1769, &end
#
#  chirality for residue 118 atoms:  N C HA CB
 &rst iat=1760,1775,1763,1764, &end
#
#  chirality for residue 119 atoms:  CA CG1 CG2 HB
 &rst iat=1779,1783,1787,1782, &end
#
#  chirality for residue 119 atoms:  N C HA CB
 &rst iat=1777,1791,1780,1781, &end
#
#  chirality for residue 120 atoms:  CA CG HB2 HB3
 &rst iat=1795,1800,1798,1799, &end
#
#  chirality for residue 120 atoms:  CB CD HG2 HG3
 &rst iat=1797,1803,1801,1802, &end
#
#  chirality for residue 120 atoms:  CD NZ HE2 HE3
 &rst iat=1803,1809,1807,1808, &end
#
#  chirality for residue 120 atoms:  CG CE HD2 HD3
 &rst iat=1800,1806,1804,1805, &end
#
#  chirality for residue 120 atoms:  N C HA CB
 &rst iat=1793,1813,1796,1797, &end
#
#  chirality for residue 121 atoms:  CA CG HB2 HB3
 &rst iat=1817,1822,1820,1821, &end
#
#  chirality for residue 121 atoms:  CB CD HG2 HG3
 &rst iat=1819,1825,1823,1824, &end
#
#  chirality for residue 121 atoms:  N C HA CB
 &rst iat=1815,1828,1818,1819, &end
#
#  chirality for residue 122 atoms:  CA CG HB2 HB3
 &rst iat=1832,1837,1835,1836, &end
#
#  chirality for residue 122 atoms:  CB CD HG2 HG3
 &rst iat=1834,1840,1838,1839, &end
#
#  chirality for residue 122 atoms:  CG NE HD2 HD3
 &rst iat=1837,1843,1841,1842, &end
#
#  chirality for residue 122 atoms:  N C HA CB
 &rst iat=1830,1852,1833,1834, &end
#
#  chirality for residue 123 atoms:  CA CG1 CG2 HB
 &rst iat=1856,1860,1864,1859, &end
#
#  chirality for residue 123 atoms:  N C HA CB
 &rst iat=1854,1868,1857,1858, &end
#
#  chirality for residue 124 atoms:  CA CG HB2 HB3
 &rst iat=1872,1877,1875,1876, &end
#
#  chirality for residue 124 atoms:  CB CD HG2 HG3
 &rst iat=1874,1880,1878,1879, &end
#
#  chirality for residue 124 atoms:  N C HA CB
 &rst iat=1870,1883,1873,1874, &end
#
#  chirality for residue 125 atoms:  CA CG HB2 HB3
 &rst iat=1887,1892,1890,1891, &end
#
#  chirality for residue 125 atoms:  N C HA CB
 &rst iat=1885,1897,1888,1889, &end
#
#  chirality for residue 126 atoms:  CA CG HB2 HB3
 &rst iat=1901,1906,1904,1905, &end
#
#  chirality for residue 126 atoms:  CB CD1 CD2 HG
 &rst iat=1903,1908,1912,1907, &end
#
#  chirality for residue 126 atoms:  N C HA CB
 &rst iat=1899,1916,1902,1903, &end
#
#  chirality for residue 127 atoms:  CA CG2 CG1 HB
 &rst iat=1920,1924,1928,1923, &end
#
#  chirality for residue 127 atoms:  CB CD1 HG12 HG13
 &rst iat=1922,1931,1929,1930, &end
#
#  chirality for residue 127 atoms:  N C HA CB
 &rst iat=1918,1935,1921,1922, &end
#
#  chirality for residue 128 atoms:  N C HA CB
 &rst iat=1937,1945,1940,1941, &end
#
#  chirality for residue 129 atoms:  CA CG HB2 HB3
 &rst iat=1949,1954,1952,1953, &end
#
#  chirality for residue 129 atoms:  CB CD HG2 HG3
 &rst iat=1951,1957,1955,1956, &end
#
#  chirality for residue 129 atoms:  CD NZ HE2 HE3
 &rst iat=1957,1963,1961,1962, &end
#
#  chirality for residue 129 atoms:  CG CE HD2 HD3
 &rst iat=1954,1960,1958,1959, &end
#
#  chirality for residue 129 atoms:  N C HA CB
 &rst iat=1947,1967,1950,1951, &end
#
#  chirality for residue 130 atoms:  CA CG2 CG1 HB
 &rst iat=1971,1975,1979,1974, &end
#
#  chirality for residue 130 atoms:  CB CD1 HG12 HG13
 &rst iat=1973,1982,1980,1981, &end
#
#  chirality for residue 130 atoms:  N C HA CB
 &rst iat=1969,1986,1972,1973, &end
#
#  chirality for residue 131 atoms:  CA OG HB2 HB3
 &rst iat=1990,1995,1993,1994, &end
#
#  chirality for residue 131 atoms:  N C HA CB
 &rst iat=1988,1997,1991,1992, &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=145,143,141,135, &end
#
#  trans-omega constraint for residue 10
 &rst iat=167,165,163,145, &end
#
#  trans-omega constraint for residue 11
 &rst iat=191,189,187,167, &end
#
#  trans-omega constraint for residue 12
 &rst iat=205,203,201,191, &end
#
#  trans-omega constraint for residue 13
 &rst iat=216,214,212,205, &end
#
#  trans-omega constraint for residue 14
 &rst iat=227,225,223,216, &end
#
#  trans-omega constraint for residue 15
 &rst iat=251,249,247,227, &end
#
#  trans-omega constraint for residue 16
 &rst iat=262,260,258,251, &end
#
#  trans-omega constraint for residue 17
 &rst iat=279,277,275,262, &end
#
#  trans-omega constraint for residue 18
 &rst iat=296,294,292,279, &end
#
#  trans-omega constraint for residue 19
 &rst iat=306,304,302,296, &end
#
#  trans-omega constraint for residue 20
 &rst iat=321,319,317,306, &end
#
#  trans-omega constraint for residue 21
 &rst iat=328,326,324,321, &end
#
#  trans-omega constraint for residue 22
 &rst iat=348,346,344,328, &end
#
#  trans-omega constraint for residue 23
 &rst iat=358,356,354,348, &end
#
#  trans-omega constraint for residue 24
 &rst iat=380,378,376,358, &end
#
#  trans-omega constraint for residue 25
 &rst iat=394,392,390,380, &end
#
#  trans-omega constraint for residue 26
 &rst iat=413,411,409,394, &end
#
#  trans-omega constraint for residue 27
 &rst iat=420,418,416,413, &end
#
#  trans-omega constraint for residue 28
 &rst iat=430,428,426,420, &end
#
#  trans-omega constraint for residue 29
 &rst iat=437,435,433,430, &end
#
#  trans-omega constraint for residue 30
 &rst iat=459,457,455,437, &end
#
#  trans-omega constraint for residue 31
 &rst iat=478,476,474,459, &end
#
#  trans-omega constraint for residue 32
 &rst iat=488,486,484,478, &end
#
#  trans-omega constraint for residue 33
 &rst iat=504,502,500,488, &end
#
#  trans-omega constraint for residue 34
 &rst iat=518,516,514,504, &end
#
#  trans-omega constraint for residue 35
 &rst iat=529,527,525,518, &end
#
#  trans-omega constraint for residue 36
 &rst iat=540,538,536,529, &end
#
#  trans-omega constraint for residue 37
 &rst iat=547,545,543,540, &end
#
#  trans-omega constraint for residue 38
 &rst iat=566,564,562,547, &end
#
#  trans-omega constraint for residue 39
 &rst iat=581,579,577,566, &end
#
#  trans-omega constraint for residue 40
 &rst iat=592,590,588,581, &end
#
#  trans-omega constraint for residue 41
 &rst iat=603,601,599,592, &end
#
#  trans-omega constraint for residue 42
 &rst iat=627,625,623,603, &end
#
#  trans-omega constraint for residue 43
 &rst iat=643,641,639,627, &end
#
#  trans-omega constraint for residue 44
 &rst iat=668,658,656,643, &end
#
#  trans-omega constraint for residue 45
 &rst iat=674,672,670,668, &end
#
#  trans-omega constraint for residue 46
 &rst iat=688,686,684,674, &end
#
#  trans-omega constraint for residue 47
 &rst iat=698,696,694,688, &end
#
#  trans-omega constraint for residue 48
 &rst iat=717,715,713,698, &end
#
#  trans-omega constraint for residue 49
 &rst iat=727,725,723,717, &end
#
#  trans-omega constraint for residue 50
 &rst iat=744,742,740,727, &end
#
#  trans-omega constraint for residue 51
 &rst iat=761,759,757,744, &end
#
#  trans-omega constraint for residue 52
 &rst iat=776,774,772,761, &end
#
#  trans-omega constraint for residue 53
 &rst iat=791,789,787,776, &end
#
#  trans-omega constraint for residue 54
 &rst iat=807,805,803,791, &end
#
#  trans-omega constraint for residue 55
 &rst iat=814,812,810,807, &end
#
#  trans-omega constraint for residue 56
 &rst iat=833,831,829,814, &end
#
#  trans-omega constraint for residue 57
 &rst iat=845,843,841,833, &end
#
#  trans-omega constraint for residue 58
 &rst iat=864,862,860,845, &end
#
#  trans-omega constraint for residue 59
 &rst iat=875,873,871,864, &end
#
#  trans-omega constraint for residue 60
 &rst iat=882,880,878,875, &end
#
#  trans-omega constraint for residue 61
 &rst iat=899,897,895,882, &end
#
#  trans-omega constraint for residue 62
 &rst iat=913,911,909,899, &end
#
#  trans-omega constraint for residue 63
 &rst iat=924,922,920,913, &end
#
#  trans-omega constraint for residue 64
 &rst iat=944,934,932,924, &end
#
#  trans-omega constraint for residue 65
 &rst iat=950,948,946,944, &end
#
#  trans-omega constraint for residue 66
 &rst iat=969,967,965,950, &end
#
#  trans-omega constraint for residue 67
 &rst iat=984,982,980,969, &end
#
#  trans-omega constraint for residue 68
 &rst iat=998,996,994,984, &end
#
#  trans-omega constraint for residue 69
 &rst iat=1018,1016,1014,998, &end
#
#  trans-omega constraint for residue 70
 &rst iat=1032,1030,1028,1018, &end
#
#  trans-omega constraint for residue 71
 &rst iat=1042,1040,1038,1032, &end
#
#  trans-omega constraint for residue 72
 &rst iat=1054,1052,1050,1042, &end
#
#  trans-omega constraint for residue 73
 &rst iat=1066,1064,1062,1054, &end
#
#  trans-omega constraint for residue 74
 &rst iat=1087,1085,1083,1066, &end
#
#  trans-omega constraint for residue 75
 &rst iat=1099,1097,1095,1087, &end
#
#  trans-omega constraint for residue 76
 &rst iat=1115,1113,1111,1099, &end
#
#  trans-omega constraint for residue 77
 &rst iat=1131,1129,1127,1115, &end
#
#  trans-omega constraint for residue 78
 &rst iat=1150,1148,1146,1131, &end
#
#  trans-omega constraint for residue 79
 &rst iat=1161,1159,1157,1150, &end
#
#  trans-omega constraint for residue 80
 &rst iat=1180,1178,1176,1161, &end
#
#  trans-omega constraint for residue 81
 &rst iat=1190,1188,1186,1180, &end
#
#  trans-omega constraint for residue 82
 &rst iat=1197,1195,1193,1190, &end
#
#  trans-omega constraint for residue 83
 &rst iat=1208,1206,1204,1197, &end
#
#  trans-omega constraint for residue 84
 &rst iat=1215,1213,1211,1208, &end
#
#  trans-omega constraint for residue 85
 &rst iat=1231,1229,1227,1215, &end
#
#  trans-omega constraint for residue 86
 &rst iat=1245,1243,1241,1231, &end
#
#  trans-omega constraint for residue 87
 &rst iat=1272,1262,1260,1245, &end
#
#  trans-omega constraint for residue 88
 &rst iat=1286,1276,1274,1272, &end
#
#  trans-omega constraint for residue 89
 &rst iat=1292,1290,1288,1286, &end
#
#  trans-omega constraint for residue 90
 &rst iat=1307,1305,1303,1292, &end
#
#  trans-omega constraint for residue 91
 &rst iat=1331,1329,1327,1307, &end
#
#  trans-omega constraint for residue 92
 &rst iat=1347,1345,1343,1331, &end
#
#  trans-omega constraint for residue 93
 &rst iat=1361,1359,1357,1347, &end
#
#  trans-omega constraint for residue 94
 &rst iat=1378,1376,1374,1361, &end
#
#  trans-omega constraint for residue 95
 &rst iat=1393,1391,1389,1378, &end
#
#  trans-omega constraint for residue 96
 &rst iat=1412,1410,1408,1393, &end
#
#  trans-omega constraint for residue 97
 &rst iat=1432,1430,1428,1412, &end
#
#  trans-omega constraint for residue 98
 &rst iat=1447,1445,1443,1432, &end
#
#  trans-omega constraint for residue 99
 &rst iat=1459,1457,1455,1447, &end
#
#  trans-omega constraint for residue 100
 &rst iat=1483,1481,1479,1459, &end
#
#  trans-omega constraint for residue 101
 &rst iat=1500,1498,1496,1483, &end
#
#  trans-omega constraint for residue 102
 &rst iat=1519,1517,1515,1500, &end
#
#  trans-omega constraint for residue 103
 &rst iat=1534,1532,1530,1519, &end
#
#  trans-omega constraint for residue 104
 &rst iat=1554,1544,1542,1534, &end
#
#  trans-omega constraint for residue 105
 &rst iat=1560,1558,1556,1554, &end
#
#  trans-omega constraint for residue 106
 &rst iat=1572,1570,1568,1560, &end
#
#  trans-omega constraint for residue 107
 &rst iat=1579,1577,1575,1572, &end
#
#  trans-omega constraint for residue 108
 &rst iat=1596,1594,1592,1579, &end
#
#  trans-omega constraint for residue 109
 &rst iat=1607,1605,1603,1596, &end
#
#  trans-omega constraint for residue 110
 &rst iat=1626,1624,1622,1607, &end
#
#  trans-omega constraint for residue 111
 &rst iat=1641,1639,1637,1626, &end
#
#  trans-omega constraint for residue 112
 &rst iat=1657,1655,1653,1641, &end
#
#  trans-omega constraint for residue 113
 &rst iat=1677,1675,1673,1657, &end
#
#  trans-omega constraint for residue 114
 &rst iat=1701,1699,1697,1677, &end
#
#  trans-omega constraint for residue 115
 &rst iat=1715,1713,1711,1701, &end
#
#  trans-omega constraint for residue 116
 &rst iat=1731,1729,1727,1715, &end
#
#  trans-omega constraint for residue 117
 &rst iat=1755,1753,1751,1731, &end
#
#  trans-omega constraint for residue 118
 &rst iat=1762,1760,1758,1755, &end
#
#  trans-omega constraint for residue 119
 &rst iat=1779,1777,1775,1762, &end
#
#  trans-omega constraint for residue 120
 &rst iat=1795,1793,1791,1779, &end
#
#  trans-omega constraint for residue 121
 &rst iat=1817,1815,1813,1795, &end
#
#  trans-omega constraint for residue 122
 &rst iat=1832,1830,1828,1817, &end
#
#  trans-omega constraint for residue 123
 &rst iat=1856,1854,1852,1832, &end
#
#  trans-omega constraint for residue 124
 &rst iat=1872,1870,1868,1856, &end
#
#  trans-omega constraint for residue 125
 &rst iat=1887,1885,1883,1872, &end
#
#  trans-omega constraint for residue 126
 &rst iat=1901,1899,1897,1887, &end
#
#  trans-omega constraint for residue 127
 &rst iat=1920,1918,1916,1901, &end
#
#  trans-omega constraint for residue 128
 &rst iat=1939,1937,1935,1920, &end
#
#  trans-omega constraint for residue 129
 &rst iat=1949,1947,1945,1939, &end
#
#  trans-omega constraint for residue 130
 &rst iat=1971,1969,1967,1949, &end
#
#  trans-omega constraint for residue 131
 &rst iat=1990,1988,1986,1971, &end
#
#   33 THR  HN           33 THR  HB          3.50    (#      0:25  Unique         2.41, 2.49 A)
 &rst
  ixpk= 0, nxpk= 25, iat= 503, 507, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=1,
 &end
#
#   73 TYR  HE           33 THR  HB          3.50    (#      1:25  Unique         2.13, 3.99 A)
 &rst
  ixpk= 1, nxpk= 25, iat=  -1, 507, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1075,1080,
 &end
#
#   25 LEU  HN           24 THR  HB          2.80    (#      3:25  Unique         2.36, 2.55 A)
 &rst
  ixpk= 3, nxpk= 25, iat= 393, 383, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   24 THR  HN           24 THR  HB          2.80    (#      4:25  Unique         2.02, 2.07 A)
 &rst
  ixpk= 4, nxpk= 25, iat= 379, 383, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  115 VAL  HN          114 THR  HB          2.80    (#      5:25  Unique         2.51, 2.62 A)
 &rst
  ixpk= 5, nxpk= 25, iat=1714,1704, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  114 THR  HN          114 THR  HB          2.80    (#      6:25  Unique         2.07, 2.12 A)
 &rst
  ixpk= 6, nxpk= 25, iat=1700,1704, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  119 VAL  HN          119 VAL  HA          3.50    (#      8:25  Unique         2.79, 2.83 A)
 &rst
  ixpk= 8, nxpk= 25, iat=1778,1780, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  114 THR  HN          114 THR  HA          3.50    (#      9:25  Unique         2.81, 2.83 A)
 &rst
  ixpk= 9, nxpk= 25, iat=1700,1702, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  118 GLN  HN          115 VAL  HA          3.50    (#     10:25  Unique         3.02, 3.16 A)
 &rst
  ixpk= 10, nxpk= 25, iat=1761,1716, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:11     111 VAL  HA          3.50    (#     11:25  Single Ambig)
 &rst
  ixpk= 11, nxpk= 25, iat=  -1,1642, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1700,1656,
 &end
#
#  111 VAL  HN          111 VAL  HA          3.50    (#     12:25  Unique         2.87, 2.88 A)
 &rst
  ixpk= 12, nxpk= 25, iat=1640,1642, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:13      45 THR  HA          3.50    (#     13:25  Single Ambig)
 &rst
  ixpk= 13, nxpk= 25, iat=  -1, 675, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 716, 687,
 &end
#
#  131 SER  HN          131 SER  HB+         3.50    (#     14:25  Unique         2.31, 2.95 A)
 &rst
  ixpk= 14, nxpk= 25, iat=1989,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1993,1994,
 &end
#
#   24 THR  HN           24 THR  HA          2.80    (#     15:25  Unique         2.79, 2.83 A)
 &rst
  ixpk= 15, nxpk= 25, iat= 379, 381, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  131 SER  HN          131 SER  HB-         3.50    (#     16:25  Unique         2.31, 2.95 A)
 &rst
  ixpk= 16, nxpk= 25, iat=1989,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1993,1994,
 &end
#
#  127 ILE  HN          127 ILE  HA          3.50    (#     17:25  Unique         2.86, 2.88 A)
 &rst
  ixpk= 17, nxpk= 25, iat=1919,1921, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:18       0 AMB  25-1:18     3.50    (#     18:25  Double Ambig)
 &rst
  ixpk= 18, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 697,1970,
 igr2= 699,1921,
 &end
#
#  109 LEU  HN          108 SER  HB-         3.50    (#     20:25  Unique         2.43, 3.12 A)
 &rst
  ixpk= 20, nxpk= 25, iat=1606,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1599,1600,
 &end
#
#  108 SER  HN          108 SER  HB-         2.80    (#     21:25  Unique         2.47, 3.05 A)
 &rst
  ixpk= 21, nxpk= 25, iat=1595,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1599,1600,
 &end
#
#  108 SER  HN          108 SER  HB+         2.80    (#     22:25  Unique         2.47, 3.05 A)
 &rst
  ixpk= 22, nxpk= 25, iat=1595,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1599,1600,
 &end
#
#   68 PHE  HD           65 ILE  HA          3.50    (#     23:25  Unique         2.11, 4.17 A)
 &rst
  ixpk= 23, nxpk= 25, iat=  -1, 951, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1005,1013,
 &end
#
#    0 AMB  25-2:25       0 AMB  25-1:25     3.50    (#     25:25  Double Ambig)
 &rst
  ixpk= 25, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 591, 602,
 igr2= 584, 585, 584, 585,
 &end
#
#  115 VAL  HN          112 PHE  HA          4.50    (#     26:25  Unique         3.42, 3.56 A)
 &rst
  ixpk= 26, nxpk= 25, iat=1714,1658, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  112 PHE  HN          112 PHE  HA          3.50    (#     27:25  Unique         2.79, 2.86 A)
 &rst
  ixpk= 27, nxpk= 25, iat=1656,1658, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   58 SER  HN           58 SER  HB+         2.80    (#     28:25  Unique         2.42, 2.94 A)
 &rst
  ixpk= 28, nxpk= 25, iat= 863,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 867, 868,
 &end
#
#   21 PHE  HD           21 PHE  HA          2.80    (#     29:25  Unique         2.07, 3.24 A)
 &rst
  ixpk= 29, nxpk= 25, iat=  -1, 329, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 335, 343,
 &end
#
#   43 HIS  HN           42 VAL  HA          2.80    (#     30:25  Unique         2.31, 2.58 A)
 &rst
  ixpk= 30, nxpk= 25, iat= 642, 628, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   58 SER  HN           58 SER  HA          2.80    (#     31:25  Unique         2.65, 2.80 A)
 &rst
  ixpk= 31, nxpk= 25, iat= 863, 865, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   33 THR  HN           33 THR  HA          2.80    (#     33:25  Unique         2.92, 2.95 A)
 &rst
  ixpk= 33, nxpk= 25, iat= 503, 505, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   34 SER  HN           33 THR  HA          3.50    (#     34:25  Unique         2.43, 3.34 A)
 &rst
  ixpk= 34, nxpk= 25, iat= 517, 505, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:35     130 ILE  HA          3.50    (#     35:25  Single Ambig)
 &rst
  ixpk= 35, nxpk= 25, iat=  -1,1972, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1970,1989,
 &end
#
#    0 AMB  25-2:36     113 ARG  HA          3.50    (#     36:25  Single Ambig)
 &rst
  ixpk= 36, nxpk= 25, iat=  -1,1678, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1676,1730,
 &end
#
#  120 LYS  HN          120 LYS  HA          3.50    (#     37:25  Unique         2.71, 2.77 A)
 &rst
  ixpk= 37, nxpk= 25, iat=1794,1796, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   93 GLN  HN           92 THR  HA          3.50    (#     38:25  Unique         2.06, 2.93 A)
 &rst
  ixpk= 38, nxpk= 25, iat=1360,1348, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   92 THR  HN           92 THR  HA          3.50    (#     39:25  Unique         2.94, 2.96 A)
 &rst
  ixpk= 39, nxpk= 25, iat=1346,1348, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  131 SER  HN          131 SER  HA          2.80    (#     41:25  Unique         2.86, 2.89 A)
 &rst
  ixpk= 41, nxpk= 25, iat=1989,1991, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   56 ASP  HN           55 ILE  HA          2.80    (#     42:25  Unique         2.04, 2.18 A)
 &rst
  ixpk= 42, nxpk= 25, iat= 832, 815, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  124 GLU  HN          124 GLU  HA          2.80    (#     43:25  Unique         2.83, 2.84 A)
 &rst
  ixpk= 43, nxpk= 25, iat=1871,1873, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  125 ASN  HN          124 GLU  HA          3.50    (#     44:25  Unique         3.54, 3.55 A)
 &rst
  ixpk= 44, nxpk= 25, iat=1886,1873, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   76 VAL  HN           75 VAL  HA          2.80    (#     45:25  Unique         2.13, 2.19 A)
 &rst
  ixpk= 45, nxpk= 25, iat=1114,1100, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   96 PHE  HN           95 ILE  HA          2.80    (#     46:25  Unique         2.14, 2.21 A)
 &rst
  ixpk= 46, nxpk= 25, iat=1411,1394, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   91 VAL  HN           91 VAL  HA          2.80    (#     47:25  Unique         2.85, 2.88 A)
 &rst
  ixpk= 47, nxpk= 25, iat=1330,1332, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   51 GLU  HN           51 GLU  HA          2.80    (#     48:25  Unique         2.82, 2.84 A)
 &rst
  ixpk= 48, nxpk= 25, iat= 760, 762, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   19 GLU  HN           19 GLU  HA          3.50    (#     49:25  Unique         2.84, 2.87 A)
 &rst
  ixpk= 49, nxpk= 25, iat= 305, 307, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  110 GLU  HN          110 GLU  HA          2.80    (#     50:25  Unique         2.79, 2.81 A)
 &rst
  ixpk= 50, nxpk= 25, iat=1625,1627, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   55 ILE  HN           51 GLU  HA          2.80    (#     51:25  Unique         2.40, 2.68 A)
 &rst
  ixpk= 51, nxpk= 25, iat= 813, 762, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   52 GLU  HN           51 GLU  HA          3.50    (#     52:25  Unique         3.41, 3.47 A)
 &rst
  ixpk= 52, nxpk= 25, iat= 775, 762, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    6 PHE  HD           19 GLU  HA          2.80    (#     53:25  Unique         2.63, 4.05 A)
 &rst
  ixpk= 53, nxpk= 25, iat=  -1, 307, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 106, 114,
 &end
#
#   90 TRP  HN           90 TRP  HA          3.50    (#     54:25  Unique         2.90, 2.92 A)
 &rst
  ixpk= 54, nxpk= 25, iat=1306,1308, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   90 TRP  HE3          90 TRP  HA          4.50    (#     55:25  Unique         2.58, 2.76 A)
 &rst
  ixpk= 55, nxpk= 25, iat=1325,1308, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   23 LYS  HN           23 LYS  HA          3.50    (#     56:25  Unique         2.84, 2.88 A)
 &rst
  ixpk= 56, nxpk= 25, iat= 357, 359, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   53 VAL  HN           52 GLU  HA          3.50    (#     57:25  Unique         3.45, 3.53 A)
 &rst
  ixpk= 57, nxpk= 25, iat= 790, 777, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   52 GLU  HN           52 GLU  HA          2.80    (#     58:25  Unique         2.79, 2.82 A)
 &rst
  ixpk= 58, nxpk= 25, iat= 775, 777, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   74 ASP  HN           73 TYR  HA          2.80    (#     59:25  Unique         2.09, 2.29 A)
 &rst
  ixpk= 59, nxpk= 25, iat=1086,1067, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  121 GLU  HN          121 GLU  HA          2.80    (#     60:25  Unique         2.80, 2.81 A)
 &rst
  ixpk= 60, nxpk= 25, iat=1816,1818, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  124 GLU  HN          121 GLU  HA          4.50    (#     61:25  Unique         3.37, 3.54 A)
 &rst
  ixpk= 61, nxpk= 25, iat=1871,1818, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   40 SER  HN           39 SER  HA          3.50    (#     62:25  Unique         2.05, 2.39 A)
 &rst
  ixpk= 62, nxpk= 25, iat= 591, 582, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  118 GLN  HN          118 GLN  HA          3.50    (#     63:25  Unique         2.78, 2.83 A)
 &rst
  ixpk= 63, nxpk= 25, iat=1761,1763, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  121 GLU  HN          118 GLN  HA          4.50    (#     64:25  Unique         3.75, 4.15 A)
 &rst
  ixpk= 64, nxpk= 25, iat=1816,1763, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   66 GLU  HN           66 GLU  HA          2.80    (#     65:25  Unique         2.76, 2.82 A)
 &rst
  ixpk= 65, nxpk= 25, iat= 968, 970, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   67 ASN  HN           66 GLU  HA          3.50    (#     66:25  Unique         3.41, 3.47 A)
 &rst
  ixpk= 66, nxpk= 25, iat= 983, 970, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  122 ARG  HN          122 ARG  HA          3.50    (#     67:25  Unique         2.85, 2.88 A)
 &rst
  ixpk= 67, nxpk= 25, iat=1831,1833, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  129 LYS  HN          129 LYS  HA          2.80    (#     68:25  Unique         2.84, 2.88 A)
 &rst
  ixpk= 68, nxpk= 25, iat=1948,1950, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  126 LEU  HN          126 LEU  HA          3.50    (#     69:25  Unique         2.79, 2.81 A)
 &rst
  ixpk= 69, nxpk= 25, iat=1900,1902, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:70      40 SER  HA          3.50    (#     70:25  Single Ambig)
 &rst
  ixpk= 70, nxpk= 25, iat=  -1, 593, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 602, 591,
 &end
#
#  109 LEU  HN          108 SER  HA          2.80    (#     71:25  Unique         2.24, 2.34 A)
 &rst
  ixpk= 71, nxpk= 25, iat=1606,1597, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  108 SER  HN          108 SER  HA          2.80    (#     72:25  Unique         2.73, 2.80 A)
 &rst
  ixpk= 72, nxpk= 25, iat=1595,1597, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  105 ASP  HN          105 ASP  HA          3.50    (#     73:25  Unique         2.56, 2.78 A)
 &rst
  ixpk= 73, nxpk= 25, iat=1559,1561, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   60 GLN  HN           60 GLN  HA          3.50    (#     75:25  Unique         2.78, 2.87 A)
 &rst
  ixpk= 75, nxpk= 25, iat= 881, 883, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:76      49 MET  HA          3.50    (#     76:25  Single Ambig)
 &rst
  ixpk= 76, nxpk= 25, iat=  -1, 728, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 726,1743,
 &end
#
#   61 THR  HN           60 GLN  HA          3.50    (#     77:25  Unique         1.99, 2.24 A)
 &rst
  ixpk= 77, nxpk= 25, iat= 898, 883, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  125 ASN  HN          125 ASN  HA          2.80    (#     78:25  Unique         2.81, 2.83 A)
 &rst
  ixpk= 78, nxpk= 25, iat=1886,1888, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  25-2:79     125 ASN  HA          3.50    (#     79:25  Single Ambig)
 &rst
  ixpk= 79, nxpk= 25, iat=  -1,1888, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1938,1948,
 &end
#
#   78 SER  HN           77 ILE  HA          2.80    (#     80:25  Unique         2.17, 2.25 A)
 &rst
  ixpk= 80, nxpk= 25, iat=1149,1132, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  101 LEU  HN          100 GLN  HA          3.50    (#     81:25  Unique         2.16, 2.32 A)
 &rst
  ixpk= 81, nxpk= 25, iat=1499,1484, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  102 GLU  HN          102 GLU  HA          2.80    (#     82:25  Unique         2.83, 2.89 A)
 &rst
  ixpk= 82, nxpk= 25, iat=1518,1520, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  103 ASP  HN          102 GLU  HA          3.50    (#     83:25  Unique         2.20, 2.82 A)
 &rst
  ixpk= 83, nxpk= 25, iat=1533,1520, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    2 LYS  HN            1 MET  HA          2.80    (#     85:25  Unique         2.29, 2.39 A)
 &rst
  ixpk= 85, nxpk= 25, iat=  21,   6, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   93 GLN  HE2+         71 ASP  HA          3.50    (#     86:25  Unique         2.40, 3.55 A)
 &rst
  ixpk= 86, nxpk= 25, iat=  -1,1043, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1372,1373,
 &end
#
#   93 GLN  HE2-         71 ASP  HA          2.80    (#     87:25  Unique         2.40, 3.55 A)
 &rst
  ixpk= 87, nxpk= 25, iat=  -1,1043, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1372,1373,
 &end
#
#   42 VAL  HN           41 ARG  HA          2.80    (#     88:25  Unique         2.29, 2.55 A)
 &rst
  ixpk= 88, nxpk= 25, iat= 626, 604, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   71 ASP  HN           71 ASP  HA          2.80    (#     90:25  Unique         2.74, 2.77 A)
 &rst
  ixpk= 90, nxpk= 25, iat=1041,1043, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   39 SER  HN           38 GLU  HA          3.50    (#     91:25  Unique         2.12, 2.89 A)
 &rst
  ixpk= 91, nxpk= 25, iat= 580, 567, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   38 GLU  HN           38 GLU  HA          3.50    (#     92:25  Unique         2.21, 2.66 A)
 &rst
  ixpk= 92, nxpk= 25, iat= 565, 567, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   98 ASP  HN           97 GLU  HA          2.80    (#     93:25  Unique         2.35, 2.49 A)
 &rst
  ixpk= 93, nxpk= 25, iat=1446,1433, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  25-2:94     128 ALA  HA          2.80    (#     94:25  Single Ambig)
 &rst
  ixpk= 94, nxpk= 25, iat=  -1,1940, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1938,1948,
 &end
#
#   94 GLU  HN           93 GLN  HA          2.80    (#     95:25  Unique         2.59, 2.71 A)
 &rst
  ixpk= 95, nxpk= 25, iat=1377,1362, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  108 SER  HN          107 GLN  HA          2.80    (#     96:25  Unique         2.50, 2.60 A)
 &rst
  ixpk= 96, nxpk= 25, iat=1595,1580, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   27 ALA  HN           27 ALA  HA          2.80    (#     97:25  Unique         2.63, 2.75 A)
 &rst
  ixpk= 97, nxpk= 25, iat= 419, 421, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   68 PHE  HN           67 ASN  HA          3.50    (#     98:25  Unique         3.29, 3.36 A)
 &rst
  ixpk= 98, nxpk= 25, iat= 997, 985, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   67 ASN  HN           67 ASN  HA          2.80    (#     99:25  Unique         2.80, 2.87 A)
 &rst
  ixpk= 99, nxpk= 25, iat= 983, 985, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  102 GLU  HN          101 LEU  HA          2.80    (#    100:25  Unique         2.09, 2.24 A)
 &rst
  ixpk= 100, nxpk= 25, iat=1518,1501, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  103 ASP  HN          103 ASP  HA          2.80    (#    102:25  Unique         2.18, 2.62 A)
 &rst
  ixpk= 102, nxpk= 25, iat=1533,1535, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   20 GLY  HN           20 GLY  HA+         2.80    (#    103:25  Unique         2.27, 2.55 A)
 &rst
  ixpk= 103, nxpk= 25, iat= 320,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 322, 323,
 &end
#
#   20 GLY  HN           20 GLY  HA-         2.80    (#    104:25  Unique         2.27, 2.55 A)
 &rst
  ixpk= 104, nxpk= 25, iat= 320,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 322, 323,
 &end
#
#    0 AMB  25-2:105    117 GLY  HA-         2.80    (#    105:25  Single Ambig)
 &rst
  ixpk= 105, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1754,1761,
 igr2=1756,1757,
 &end
#
#    0 AMB  25-2:106      0 AMB  25-1:106    2.80    (#    106:25  Double Ambig)
 &rst
  ixpk= 106, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1754,1761,
 igr2=1756,1757,1756,1757,
 &end
#
#   54 GLY  HN           54 GLY  HA-         2.80    (#    107:25  Unique         2.25, 2.60 A)
 &rst
  ixpk= 107, nxpk= 25, iat= 806,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 808, 809,
 &end
#
#   54 GLY  HN           54 GLY  HA+         2.80    (#    108:25  Unique         2.25, 2.60 A)
 &rst
  ixpk= 108, nxpk= 25, iat= 806,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 808, 809,
 &end
#
#    0 AMB  25-2:109      0 AMB  25-1:109    2.80    (#    109:25  Double Ambig)
 &rst
  ixpk= 109, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 412, 615,
 igr2= 414, 415, 876, 877,
 &end
#
#   26 GLY  HN           26 GLY  HA-         2.80    (#    110:25  Unique         2.23, 2.59 A)
 &rst
  ixpk= 110, nxpk= 25, iat= 412,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 414, 415,
 &end
#
#   36 GLY  HN           36 GLY  HA-         2.80    (#    111:25  Unique         2.27, 2.68 A)
 &rst
  ixpk= 111, nxpk= 25, iat= 539,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 541, 542,
 &end
#
#   74 ASP  HN           74 ASP  HB-         3.50    (#    112:25  Unique         2.37, 2.71 A)
 &rst
  ixpk= 112, nxpk= 25, iat=1086,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1090,1091,
 &end
#
#   75 VAL  HN           74 ASP  HB-         3.50    (#    113:25  Unique         2.59, 3.38 A)
 &rst
  ixpk= 113, nxpk= 25, iat=1098,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1090,1091,
 &end
#
#   98 ASP  HN           98 ASP  HB-         3.50    (#    114:25  Unique         2.78, 3.40 A)
 &rst
  ixpk= 114, nxpk= 25, iat=1446,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1450,1451,
 &end
#
#   98 ASP  HN           98 ASP  HB+         3.50    (#    115:25  Unique         2.78, 3.40 A)
 &rst
  ixpk= 115, nxpk= 25, iat=1446,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1450,1451,
 &end
#
#   68 PHE  HD           68 PHE  HB+         3.50    (#    117:25  Unique         2.29, 3.05 A)
 &rst
  ixpk= 117, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1005,1013,
 igr2=1001,1002,
 &end
#
#   68 PHE  HD           68 PHE  HB-         2.80    (#    118:25  Unique         2.29, 3.05 A)
 &rst
  ixpk= 118, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1005,1013,
 igr2=1001,1002,
 &end
#
#   63 ASP  HN           63 ASP  HB+         3.50    (#    120:25  Unique         2.12, 3.04 A)
 &rst
  ixpk= 120, nxpk= 25, iat= 923,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 927, 928,
 &end
#
#   68 PHE  HZ           63 ASP  HB+         3.50    (#    121:25  Unique         2.30, 3.72 A)
 &rst
  ixpk= 121, nxpk= 25, iat=1009,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 927, 928,
 &end
#
#   31 ALA  HN           30 ILE  HB          3.50    (#    122:25  Unique         2.51, 2.57 A)
 &rst
  ixpk= 122, nxpk= 25, iat= 477, 462, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   96 PHE  HD           96 PHE  HB+         3.50    (#    123:25  Unique         2.23, 3.09 A)
 &rst
  ixpk= 123, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1419,1427,
 igr2=1415,1416,
 &end
#
#   96 PHE  HD           96 PHE  HB-         3.50    (#    124:25  Unique         2.23, 3.09 A)
 &rst
  ixpk= 124, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1419,1427,
 igr2=1415,1416,
 &end
#
#    0 AMB  25-2:125      0 AMB  25-1:125    3.50    (#    125:25  Double Ambig)
 &rst
  ixpk= 125, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1533, 239,
 igr2=1537,1538,1537,1538,
 &end
#
#    0 AMB  25-2:126    103 ASP  HB-         3.50    (#    126:25  Single Ambig)
 &rst
  ixpk= 126, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1533, 239,
 igr2=1537,1538,
 &end
#
#   56 ASP  HN           56 ASP  HB+         2.80    (#    127:25  Unique         2.20, 2.75 A)
 &rst
  ixpk= 127, nxpk= 25, iat= 832,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 836, 837,
 &end
#
#   56 ASP  HN           56 ASP  HB-         2.80    (#    128:25  Unique         2.20, 2.75 A)
 &rst
  ixpk= 128, nxpk= 25, iat= 832,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 836, 837,
 &end
#
#   55 ILE  HN           55 ILE  HB          3.50    (#    129:25  Unique         2.12, 2.24 A)
 &rst
  ixpk= 129, nxpk= 25, iat= 813, 817, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:132      0 AMB  25-1:132    2.80    (#    132:25  Double Ambig)
 &rst
  ixpk= 132, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1026,1027,1041,
 igr2=1045,1046,1045,1046,
 &end
#
#   72 ASP  HN           71 ASP  HB-         3.50    (#    133:25  Unique         2.51, 3.48 A)
 &rst
  ixpk= 133, nxpk= 25, iat=1053,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1045,1046,
 &end
#
#    0 AMB  25-2:134     71 ASP  HB-         2.80    (#    134:25  Single Ambig)
 &rst
  ixpk= 134, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1026,1027,1041,
 igr2=1045,1046,
 &end
#
#   73 TYR  HD           73 TYR  HB+         2.80    (#    135:25  Unique         2.32, 3.09 A)
 &rst
  ixpk= 135, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1073,1082,
 igr2=1069,1070,
 &end
#
#   69 ASN  HN           69 ASN  HB+         3.50    (#    136:25  Unique         2.64, 3.01 A)
 &rst
  ixpk= 136, nxpk= 25, iat=1017,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1021,1022,
 &end
#
#    0 AMB  25-2:137      0 AMB  25-1:137    3.50    (#    137:25  Double Ambig)
 &rst
  ixpk= 137, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1026,1027,1041,
 igr2=1021,1022,1021,1022,
 &end
#
#  105 ASP  HN          105 ASP  HB+         2.80    (#    138:25  Unique         2.27, 2.51 A)
 &rst
  ixpk= 138, nxpk= 25, iat=1559,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1563,1564,
 &end
#
#   69 ASN  HN           69 ASN  HB-         2.80    (#    139:25  Unique         2.64, 3.01 A)
 &rst
  ixpk= 139, nxpk= 25, iat=1017,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1021,1022,
 &end
#
#    0 AMB  25-2:140     69 ASN  HB-         4.50    (#    140:25  Single Ambig)
 &rst
  ixpk= 140, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1026,1027,1041,
 igr2=1021,1022,
 &end
#
#  105 ASP  HN          105 ASP  HB-         3.50    (#    141:25  Unique         2.27, 2.51 A)
 &rst
  ixpk= 141, nxpk= 25, iat=1559,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1563,1564,
 &end
#
#   21 PHE  HD           21 PHE  HB+         3.50    (#    142:25  Unique         2.28, 3.08 A)
 &rst
  ixpk= 142, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 335, 343,
 igr2= 331, 332,
 &end
#
#   21 PHE  HD           21 PHE  HB-         3.50    (#    143:25  Unique         2.28, 3.08 A)
 &rst
  ixpk= 143, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 335, 343,
 igr2= 331, 332,
 &end
#
#   65 ILE  HN           65 ILE  HB          3.50    (#    144:25  Unique         2.07, 2.23 A)
 &rst
  ixpk= 144, nxpk= 25, iat= 949, 953, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  125 ASN  HN          125 ASN  HB-         2.80    (#    145:25  Unique         2.14, 2.57 A)
 &rst
  ixpk= 145, nxpk= 25, iat=1886,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1890,1891,
 &end
#
#   85 ASN  HD2+         85 ASN  HB+         5.50    (#    146:25  Unique         2.34, 3.30 A)
 &rst
  ixpk= 146, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1239,1240,
 igr2=1234,1235,
 &end
#
#  125 ASN  HN          125 ASN  HB+         2.80    (#    147:25  Unique         2.14, 2.57 A)
 &rst
  ixpk= 147, nxpk= 25, iat=1886,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1890,1891,
 &end
#
#  125 ASN  HD2+        125 ASN  HB+         3.50    (#    148:25  Unique         2.29, 3.41 A)
 &rst
  ixpk= 148, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1895,1896,
 igr2=1890,1891,
 &end
#
#   48 ALA  HN           47 ILE  HB          2.80    (#    149:25  Unique         2.78, 2.81 A)
 &rst
  ixpk= 149, nxpk= 25, iat= 716, 701, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  124 GLU  HN          124 GLU  HG+         3.50    (#    150:25  Unique         2.56, 3.21 A)
 &rst
  ixpk= 150, nxpk= 25, iat=1871,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1878,1879,
 &end
#
#  124 GLU  HN          124 GLU  HG-         2.80    (#    151:25  Unique         2.56, 3.21 A)
 &rst
  ixpk= 151, nxpk= 25, iat=1871,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1878,1879,
 &end
#
#  128 ALA  HN          127 ILE  HB          3.50    (#    152:25  Unique         2.44, 2.58 A)
 &rst
  ixpk= 152, nxpk= 25, iat=1938,1923, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  127 ILE  HN          127 ILE  HB          2.80    (#    153:25  Unique         2.21, 2.26 A)
 &rst
  ixpk= 153, nxpk= 25, iat=1919,1923, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   67 ASN  HN           67 ASN  HB-         3.50    (#    154:25  Unique         2.31, 2.60 A)
 &rst
  ixpk= 154, nxpk= 25, iat= 983,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 987, 988,
 &end
#
#    0 AMB  25-2:155     67 ASN  HB-         4.50    (#    155:25  Single Ambig)
 &rst
  ixpk= 155, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 992, 993,1007,1011,
 igr2= 987, 988,
 &end
#
#   67 ASN  HN           67 ASN  HB+         2.80    (#    156:25  Unique         2.31, 2.60 A)
 &rst
  ixpk= 156, nxpk= 25, iat= 983,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 987, 988,
 &end
#
#    0 AMB  25-2:157      0 AMB  25-1:157    3.50    (#    157:25  Double Ambig)
 &rst
  ixpk= 157, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 992, 993,1007,1011,
 igr2= 987, 988, 987, 988,
 &end
#
#   52 GLU  HN           52 GLU  HG+         2.80    (#    158:25  Unique         1.85, 2.46 A)
 &rst
  ixpk= 158, nxpk= 25, iat= 775,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 782, 783,
 &end
#
#   52 GLU  HN           52 GLU  HG-         2.80    (#    159:25  Unique         1.85, 2.46 A)
 &rst
  ixpk= 159, nxpk= 25, iat= 775,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 782, 783,
 &end
#
#  110 GLU  HN          110 GLU  HG+         4.50    (#    160:25  Unique         1.92, 3.19 A)
 &rst
  ixpk= 160, nxpk= 25, iat=1625,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1632,1633,
 &end
#
#   14 ARG  HE           14 ARG  HB-         3.50    (#    161:25  Unique         2.39, 3.68 A)
 &rst
  ixpk= 161, nxpk= 25, iat= 239,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 230, 231,
 &end
#
#   66 GLU  HN           66 GLU  HG+         3.50    (#    162:25  Unique         1.83, 3.05 A)
 &rst
  ixpk= 162, nxpk= 25, iat= 968,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 975, 976,
 &end
#
#   66 GLU  HN           66 GLU  HG-         3.50    (#    163:25  Unique         1.83, 3.05 A)
 &rst
  ixpk= 163, nxpk= 25, iat= 968,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 975, 976,
 &end
#
#    0 AMB  25-2:164      0 AMB  25-1:164    3.50    (#    164:25  Double Ambig)
 &rst
  ixpk= 164, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 239,1411,
 igr2= 230, 231,1438,1439,
 &end
#
#   51 GLU  HN           51 GLU  HG+         4.50    (#    165:25  Unique         2.79, 4.31 A)
 &rst
  ixpk= 165, nxpk= 25, iat= 760,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 767, 768,
 &end
#
#    0 AMB  25-2:166      0 AMB  25-1:166    4.50    (#    166:25  Double Ambig)
 &rst
  ixpk= 166, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1590,1591,1816,
 igr2=1525,1526,1823,1824,
 &end
#
#  102 GLU  HN          102 GLU  HG+         3.50    (#    167:25  Unique         2.18, 3.24 A)
 &rst
  ixpk= 167, nxpk= 25, iat=1518,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1525,1526,
 &end
#
#   97 GLU  HN           97 GLU  HG+         4.50    (#    168:25  Unique         2.37, 3.82 A)
 &rst
  ixpk= 168, nxpk= 25, iat=1431,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1438,1439,
 &end
#
#    0 AMB  25-2:169      0 AMB  25-1:169    3.50    (#    169:25  Double Ambig)
 &rst
  ixpk= 169, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 305,1031, 278,
 igr2= 312, 313,1298,1299, 312, 313,
 &end
#
#  102 GLU  HN          102 GLU  HG-         3.50    (#    170:25  Unique         2.18, 3.24 A)
 &rst
  ixpk= 170, nxpk= 25, iat=1518,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1525,1526,
 &end
#
#    0 AMB  25-2:171      0 AMB  25-1:171    2.80    (#    171:25  Double Ambig)
 &rst
  ixpk= 171, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.99, r4= 5.74,
 igr1=1031,1411, 278,1533,
 igr2=1298,1299,1438,1439, 312, 313,1525,1526,
 &end
#
#    0 AMB  25-2:172      0 AMB  25-1:172    3.50    (#    172:25  Double Ambig)
 &rst
  ixpk= 172, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 458,1098,
 igr2= 440, 441,1102,
 &end
#
#   60 GLN  HN           60 GLN  HG+         4.50    (#    173:25  Unique         2.08, 3.58 A)
 &rst
  ixpk= 173, nxpk= 25, iat= 881,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 888, 889,
 &end
#
#   96 PHE  HD           76 VAL  HB          5.50    (#    174:25  Unique         2.98, 5.89 A)
 &rst
  ixpk= 174, nxpk= 25, iat=  -1,1118, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1419,1427,
 &end
#
#   32 VAL  HN           32 VAL  HB          2.80    (#    175:25  Unique         2.50, 2.68 A)
 &rst
  ixpk= 175, nxpk= 25, iat= 487, 491, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   99 TRP  HD1          97 GLU  HB+         5.50    (#    176:25  Unique         4.43, 5.50 A)
 &rst
  ixpk= 176, nxpk= 25, iat=1466,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1435,1436,
 &end
#
#    4 VAL  HN            4 VAL  HB          2.80    (#    177:25  Unique         2.48, 2.75 A)
 &rst
  ixpk= 177, nxpk= 25, iat=  65,  69, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  107 GLN  HN          107 GLN  HG+         2.80    (#    178:25  Unique         2.31, 3.02 A)
 &rst
  ixpk= 178, nxpk= 25, iat=1578,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1585,1586,
 &end
#
#  107 GLN  HN          107 GLN  HG-         2.80    (#    179:25  Unique         2.31, 3.02 A)
 &rst
  ixpk= 179, nxpk= 25, iat=1578,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1585,1586,
 &end
#
#  107 GLN  HE2+        107 GLN  HG-         2.80    (#    180:25  Unique         2.21, 3.18 A)
 &rst
  ixpk= 180, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1590,1591,
 igr2=1585,1586,
 &end
#
#  118 GLN  HN          118 GLN  HG+         2.80    (#    181:25  Unique         2.23, 2.85 A)
 &rst
  ixpk= 181, nxpk= 25, iat=1761,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1768,1769,
 &end
#
#  118 GLN  HE2+        118 GLN  HG+         3.50    (#    182:25  Unique         2.21, 3.28 A)
 &rst
  ixpk= 182, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1773,1774,
 igr2=1768,1769,
 &end
#
#  118 GLN  HN          118 GLN  HG-         2.80    (#    183:25  Unique         2.23, 2.85 A)
 &rst
  ixpk= 183, nxpk= 25, iat=1761,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1768,1769,
 &end
#
#  118 GLN  HE2+        118 GLN  HG-         2.80    (#    184:25  Unique         2.21, 3.28 A)
 &rst
  ixpk= 184, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1773,1774,
 igr2=1768,1769,
 &end
#
#    2 LYS  HN            2 LYS  HB+         3.50    (#    185:25  Unique         2.82, 3.34 A)
 &rst
  ixpk= 185, nxpk= 25, iat=  21,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  25,  26,
 &end
#
#   49 MET  HN           49 MET  HG+         2.80    (#    186:25  Unique         2.28, 3.11 A)
 &rst
  ixpk= 186, nxpk= 25, iat= 726,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 733, 734,
 &end
#
#  129 LYS  HN          129 LYS  HB-         3.50    (#    187:25  Unique         2.07, 3.02 A)
 &rst
  ixpk= 187, nxpk= 25, iat=1948,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1952,1953,
 &end
#
#  129 LYS  HN          129 LYS  HB+         3.50    (#    188:25  Unique         2.07, 3.02 A)
 &rst
  ixpk= 188, nxpk= 25, iat=1948,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1952,1953,
 &end
#
#   93 GLN  HE2+         93 GLN  HG+         3.50    (#    189:25  Unique         2.20, 3.27 A)
 &rst
  ixpk= 189, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1372,1373,
 igr2=1367,1368,
 &end
#
#   93 GLN  HE2+         93 GLN  HG-         3.50    (#    190:25  Unique         2.20, 3.27 A)
 &rst
  ixpk= 190, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1372,1373,
 igr2=1367,1368,
 &end
#
#   23 LYS  HN           23 LYS  HB+         3.50    (#    191:25  Unique         1.97, 2.89 A)
 &rst
  ixpk= 191, nxpk= 25, iat= 357,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 361, 362,
 &end
#
#   38 GLU  HN           38 GLU  HB-         4.50    (#    192:25  Unique         2.32, 3.36 A)
 &rst
  ixpk= 192, nxpk= 25, iat= 565,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 569, 570,
 &end
#
#   42 VAL  HN           42 VAL  HB          3.50    (#    193:25  Unique         2.58, 3.54 A)
 &rst
  ixpk= 193, nxpk= 25, iat= 626, 630, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   16 GLN  HN           42 VAL  HB          5.50    (#    194:25  Unique         4.46, 5.29 A)
 &rst
  ixpk= 194, nxpk= 25, iat= 261, 630, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  115 VAL  HN          115 VAL  HB          2.80    (#    195:25  Unique         2.21, 2.31 A)
 &rst
  ixpk= 195, nxpk= 25, iat=1714,1718, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  119 VAL  HN          119 VAL  HB          2.80    (#    196:25  Unique         2.35, 2.46 A)
 &rst
  ixpk= 196, nxpk= 25, iat=1778,1782, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  120 LYS  HN          119 VAL  HB          3.50    (#    197:25  Unique         2.45, 2.69 A)
 &rst
  ixpk= 197, nxpk= 25, iat=1794,1782, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:198    111 VAL  HB          5.50    (#    198:25  Single Ambig)
 &rst
  ixpk= 198, nxpk= 25, iat=  -1,1644, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1606,1571,1730,
 &end
#
#   90 TRP  HD1          87 PRO  HB-         4.50    (#    199:25  Unique         2.24, 3.24 A)
 &rst
  ixpk= 199, nxpk= 25, iat=1314,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1270,1271,
 &end
#
#  115 VAL  HN          111 VAL  HB          5.50    (#    200:25  Unique         5.19, 5.39 A)
 &rst
  ixpk= 200, nxpk= 25, iat=1714,1644, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  25-2:201    111 VAL  HB          2.80    (#    201:25  Single Ambig)
 &rst
  ixpk= 201, nxpk= 25, iat=  -1,1644, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1656,1595,
 &end
#
#  111 VAL  HN          111 VAL  HB          3.50    (#    202:25  Unique         2.58, 2.68 A)
 &rst
  ixpk= 202, nxpk= 25, iat=1640,1644, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   52 GLU  HN           52 GLU  HB-         3.50    (#    203:25  Unique         2.57, 3.20 A)
 &rst
  ixpk= 203, nxpk= 25, iat= 775,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 779, 780,
 &end
#
#  127 ILE  HN          127 ILE  HG1+        2.80    (#    204:25  Unique         2.13, 2.87 A)
 &rst
  ixpk= 204, nxpk= 25, iat=1919,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1929,1930,
 &end
#
#   52 GLU  HN           52 GLU  HB+         3.50    (#    205:25  Unique         2.57, 3.20 A)
 &rst
  ixpk= 205, nxpk= 25, iat= 775,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 779, 780,
 &end
#
#   90 TRP  HN           90 TRP  HB+         3.50    (#    206:25  Unique         2.29, 2.96 A)
 &rst
  ixpk= 206, nxpk= 25, iat=1306,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1310,1311,
 &end
#
#   90 TRP  HN           90 TRP  HB-         3.50    (#    207:25  Unique         2.29, 2.96 A)
 &rst
  ixpk= 207, nxpk= 25, iat=1306,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1310,1311,
 &end
#
#    0 AMB  25-2:208     90 TRP  HB-         3.50    (#    208:25  Single Ambig)
 &rst
  ixpk= 208, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1330,1314,
 igr2=1310,1311,
 &end
#
#  102 GLU  HN          102 GLU  HB+         2.80    (#    209:25  Unique         2.24, 3.01 A)
 &rst
  ixpk= 209, nxpk= 25, iat=1518,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1522,1523,
 &end
#
#  102 GLU  HN          102 GLU  HB-         3.50    (#    210:25  Unique         2.24, 3.01 A)
 &rst
  ixpk= 210, nxpk= 25, iat=1518,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1522,1523,
 &end
#
#  103 ASP  HN          102 GLU  HB-         3.50    (#    211:25  Unique         2.59, 3.55 A)
 &rst
  ixpk= 211, nxpk= 25, iat=1533,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1522,1523,
 &end
#
#  108 SER  HN          107 GLN  HB+         3.50    (#    212:25  Unique         1.94, 2.75 A)
 &rst
  ixpk= 212, nxpk= 25, iat=1595,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1582,1583,
 &end
#
#  121 GLU  HN          121 GLU  HB+         2.80    (#    213:25  Unique         2.32, 2.39 A)
 &rst
  ixpk= 213, nxpk= 25, iat=1816,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1820,1821,
 &end
#
#  121 GLU  HN          121 GLU  HB-         2.80    (#    214:25  Unique         2.32, 2.39 A)
 &rst
  ixpk= 214, nxpk= 25, iat=1816,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1820,1821,
 &end
#
#  124 GLU  HN          124 GLU  HB-         3.50    (#    215:25  Unique         2.31, 2.96 A)
 &rst
  ixpk= 215, nxpk= 25, iat=1871,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1875,1876,
 &end
#
#  124 GLU  HN          124 GLU  HB+         2.80    (#    217:25  Unique         2.31, 2.96 A)
 &rst
  ixpk= 217, nxpk= 25, iat=1871,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1875,1876,
 &end
#
#  125 ASN  HN          124 GLU  HB+         2.80    (#    218:25  Unique         2.66, 3.14 A)
 &rst
  ixpk= 218, nxpk= 25, iat=1886,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1875,1876,
 &end
#
#  125 ASN  HN          124 GLU  HB-         3.50    (#    219:25  Unique         2.66, 3.14 A)
 &rst
  ixpk= 219, nxpk= 25, iat=1886,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1875,1876,
 &end
#
#  130 ILE  HN          129 LYS  HD+         4.50    (#    220:25  Unique         4.38, 5.04 A)
 &rst
  ixpk= 220, nxpk= 25, iat=1970,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1958,1959,
 &end
#
#   60 GLN  HE2+         60 GLN  HB+         2.80    (#    221:25  Unique         2.07, 3.58 A)
 &rst
  ixpk= 221, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 893, 894,
 igr2= 885, 886,
 &end
#
#   51 GLU  HN           51 GLU  HB-         2.80    (#    222:25  Unique         2.20, 2.49 A)
 &rst
  ixpk= 222, nxpk= 25, iat= 760,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 764, 765,
 &end
#
#   52 GLU  HN           51 GLU  HB-         3.50    (#    223:25  Unique         2.88, 3.50 A)
 &rst
  ixpk= 223, nxpk= 25, iat= 775,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 764, 765,
 &end
#
#   52 GLU  HN           51 GLU  HB+         4.50    (#    224:25  Unique         2.88, 3.50 A)
 &rst
  ixpk= 224, nxpk= 25, iat= 775,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 764, 765,
 &end
#
#   51 GLU  HN           51 GLU  HB+         2.80    (#    225:25  Unique         2.20, 2.49 A)
 &rst
  ixpk= 225, nxpk= 25, iat= 760,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 764, 765,
 &end
#
#  110 GLU  HN          110 GLU  HB-         2.80    (#    226:25  Unique         2.10, 2.91 A)
 &rst
  ixpk= 226, nxpk= 25, iat=1625,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1629,1630,
 &end
#
#  111 VAL  HN          110 GLU  HB-         4.50    (#    227:25  Unique         2.76, 3.76 A)
 &rst
  ixpk= 227, nxpk= 25, iat=1640,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1629,1630,
 &end
#
#   60 GLN  HN           60 GLN  HB-         3.50    (#    228:25  Unique         2.33, 2.83 A)
 &rst
  ixpk= 228, nxpk= 25, iat= 881,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 885, 886,
 &end
#
#  111 VAL  HN          110 GLU  HB+         3.50    (#    229:25  Unique         2.76, 3.76 A)
 &rst
  ixpk= 229, nxpk= 25, iat=1640,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1629,1630,
 &end
#
#  110 GLU  HN          110 GLU  HB+         3.50    (#    230:25  Unique         2.10, 2.91 A)
 &rst
  ixpk= 230, nxpk= 25, iat=1625,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1629,1630,
 &end
#
#  118 GLN  HN          118 GLN  HB-         3.50    (#    231:25  Unique         2.34, 3.05 A)
 &rst
  ixpk= 231, nxpk= 25, iat=1761,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1765,1766,
 &end
#
#  118 GLN  HN          118 GLN  HB+         2.80    (#    232:25  Unique         2.34, 3.05 A)
 &rst
  ixpk= 232, nxpk= 25, iat=1761,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1765,1766,
 &end
#
#   66 GLU  HN           66 GLU  HB+         2.80    (#    233:25  Unique         2.00, 2.82 A)
 &rst
  ixpk= 233, nxpk= 25, iat= 968,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 972, 973,
 &end
#
#   25 LEU  HN           25 LEU  HG          3.50    (#    234:25  Unique         2.24, 2.29 A)
 &rst
  ixpk= 234, nxpk= 25, iat= 393, 400, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    6 PHE  HD           79 LEU  HG          3.50    (#    235:25  Unique         3.36, 5.19 A)
 &rst
  ixpk= 235, nxpk= 25, iat=  -1,1167, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 106, 114,
 &end
#
#  122 ARG  HN          122 ARG  HB+         3.50    (#    236:25  Unique         2.45, 3.11 A)
 &rst
  ixpk= 236, nxpk= 25, iat=1831,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1835,1836,
 &end
#
#    0 AMB  25-2:237      0 AMB  25-1:237    3.50    (#    237:25  Double Ambig)
 &rst
  ixpk= 237, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1377,1114,
 igr2=1364,1365,1364,1365,
 &end
#
#    6 PHE  HD          126 LEU  MDY         4.50    (#    238:25  Unique         4.54, 7.21 A)
 &rst
  ixpk= 238, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 106, 114,
 igr2=1909,1910,1911,1913,1914,1915,
 &end
#
#   21 PHE  HD           25 LEU  MDY         3.50    (#    239:25  Unique         3.18, 5.63 A)
 &rst
  ixpk= 239, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 335, 343,
 igr2= 402, 403, 404, 406, 407, 408,
 &end
#
#  130 ILE  HN          130 ILE  HG1-        2.80    (#    241:25  Unique         1.96, 2.71 A)
 &rst
  ixpk= 241, nxpk= 25, iat=1970,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1980,1981,
 &end
#
#  130 ILE  HN          130 ILE  HG1+        3.50    (#    242:25  Unique         1.96, 2.71 A)
 &rst
  ixpk= 242, nxpk= 25, iat=1970,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1980,1981,
 &end
#
#  130 ILE  HN          129 LYS  HG+         5.50    (#    243:25  Unique         2.50, 3.83 A)
 &rst
  ixpk= 243, nxpk= 25, iat=1970,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1955,1956,
 &end
#
#   29 LYS  HN           29 LYS  HG+         3.50    (#    244:25  Unique         2.04, 2.99 A)
 &rst
  ixpk= 244, nxpk= 25, iat= 436,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 443, 444,
 &end
#
#  124 GLU  HN          123 VAL  MGX         4.50    (#    245:25  Unique         2.61, 4.57 A)
 &rst
  ixpk= 245, nxpk= 25, iat=1871,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1861,1862,1863,1865,1866,1867,
 &end
#
#   21 PHE  HD          123 VAL  MGX         3.50    (#    246:25  Unique         3.06, 5.93 A)
 &rst
  ixpk= 246, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 335, 343,
 igr2=1861,1862,1863,1865,1866,1867,
 &end
#
#  119 VAL  HN          119 VAL  MGY         3.50    (#    248:25  Unique         1.93, 3.80 A)
 &rst
  ixpk= 248, nxpk= 25, iat=1778,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1784,1785,1786,1788,1789,1790,
 &end
#
#  102 GLU  HN          115 VAL  MGY         4.50    (#    249:25  Unique         2.34, 4.64 A)
 &rst
  ixpk= 249, nxpk= 25, iat=1518,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1720,1721,1722,1724,1725,1726,
 &end
#
#  115 VAL  HN          115 VAL  MGY         2.80    (#    250:25  Unique         2.29, 3.84 A)
 &rst
  ixpk= 250, nxpk= 25, iat=1714,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1720,1721,1722,1724,1725,1726,
 &end
#
#    0 AMB  25-2:251    119 VAL  MGX         3.50    (#    251:25  Single Ambig)
 &rst
  ixpk= 251, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 337, 341,1816,
 igr2=1784,1785,1786,1788,1789,1790,
 &end
#
#   21 PHE  HD          119 VAL  MGX         2.80    (#    252:25  Unique         2.27, 6.37 A)
 &rst
  ixpk= 252, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 335, 343,
 igr2=1784,1785,1786,1788,1789,1790,
 &end
#
#  111 VAL  HN          111 VAL  MGY         2.80    (#    254:25  Unique         2.05, 3.76 A)
 &rst
  ixpk= 254, nxpk= 25, iat=1640,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1646,1647,1648,1650,1651,1652,
 &end
#
#    0 AMB  25-2:256    111 VAL  MGY         3.50    (#    256:25  Single Ambig)
 &rst
  ixpk= 256, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1595,1656,
 igr2=1646,1647,1648,1650,1651,1652,
 &end
#
#    6 PHE  HD           32 VAL  MGY         3.50    (#    257:25  Unique         2.28, 5.91 A)
 &rst
  ixpk= 257, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 106, 114,
 igr2= 493, 494, 495, 497, 498, 499,
 &end
#
#    0 AMB  25-2:258      0 AMB  25-1:258    2.80    (#    258:25  Double Ambig)
 &rst
  ixpk= 258, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1= 503, 393,
 igr2= 493, 494, 495, 497, 498, 499, 402, 403, 404, 406,
       407, 408,
 &end
#
#   34 SER  HN           33 THR  MG2         3.50    (#    259:25  Unique         2.49, 4.02 A)
 &rst
  ixpk= 259, nxpk= 25, iat= 517,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 509, 510, 511,
 &end
#
#    0 AMB  25-2:260     33 THR  MG2         3.50    (#    260:25  Single Ambig)
 &rst
  ixpk= 260, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1009,1005,1013,
 igr2= 509, 510, 511,
 &end
#
#  124 GLU  HN          123 VAL  MGY         3.50    (#    261:25  Unique         2.61, 4.57 A)
 &rst
  ixpk= 261, nxpk= 25, iat=1871,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1861,1862,1863,1865,1866,1867,
 &end
#
#    6 PHE  HD          123 VAL  MGY         4.50    (#    262:25  Unique         3.91, 6.40 A)
 &rst
  ixpk= 262, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 106, 114,
 igr2=1861,1862,1863,1865,1866,1867,
 &end
#
#   32 VAL  HN           32 VAL  MGX         2.80    (#    263:25  Unique         2.07, 3.96 A)
 &rst
  ixpk= 263, nxpk= 25, iat= 487,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 493, 494, 495, 497, 498, 499,
 &end
#
#    6 PHE  HD           32 VAL  MGX         4.50    (#    264:25  Unique         2.28, 5.91 A)
 &rst
  ixpk= 264, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 106, 114,
 igr2= 493, 494, 495, 497, 498, 499,
 &end
#
#  123 VAL  HN          123 VAL  MGY         3.50    (#    265:25  Unique         2.00, 3.81 A)
 &rst
  ixpk= 265, nxpk= 25, iat=1855,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1861,1862,1863,1865,1866,1867,
 &end
#
#   42 VAL  HN           42 VAL  MGY         2.80    (#    266:25  Unique         1.83, 3.14 A)
 &rst
  ixpk= 266, nxpk= 25, iat= 626,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 632, 633, 634, 636, 637, 638,
 &end
#
#    0 AMB  25-2:267     61 THR  MG2         3.50    (#    267:25  Single Ambig)
 &rst
  ixpk= 267, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 912, 898,
 igr2= 904, 905, 906,
 &end
#
#   76 VAL  HN           75 VAL  MGY         2.80    (#    268:25  Unique         2.52, 4.31 A)
 &rst
  ixpk= 268, nxpk= 25, iat=1114,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1104,1105,1106,1108,1109,1110,
 &end
#
#   92 THR  HN           92 THR  MG2         2.80    (#    269:25  Unique         2.29, 3.36 A)
 &rst
  ixpk= 269, nxpk= 25, iat=1346,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1352,1353,1354,
 &end
#
#   42 VAL  HN           42 VAL  MGX         3.50    (#    270:25  Unique         1.83, 3.14 A)
 &rst
  ixpk= 270, nxpk= 25, iat= 626,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 632, 633, 634, 636, 637, 638,
 &end
#
#   49 MET  HN           49 MET  ME          3.50    (#    271:25  Unique         2.90, 3.96 A)
 &rst
  ixpk= 271, nxpk= 25, iat= 726,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 737, 738, 739,
 &end
#
#  118 GLN  HE2+        114 THR  MG2         3.50    (#    272:25  Unique         3.09, 4.66 A)
 &rst
  ixpk= 272, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1773,1774,
 igr2=1706,1707,1708,
 &end
#
#  118 GLN  HE2-        114 THR  MG2         3.50    (#    273:25  Unique         3.09, 4.66 A)
 &rst
  ixpk= 273, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1773,1774,
 igr2=1706,1707,1708,
 &end
#
#  115 VAL  HN          114 THR  MG2         3.50    (#    274:25  Unique         2.97, 3.99 A)
 &rst
  ixpk= 274, nxpk= 25, iat=1714,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1706,1707,1708,
 &end
#
#  114 THR  HN          114 THR  MG2         3.50    (#    275:25  Unique         4.07, 4.33 A)
 &rst
  ixpk= 275, nxpk= 25, iat=1700,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1706,1707,1708,
 &end
#
#   53 VAL  HN           53 VAL  MGY         3.50    (#    276:25  Unique         2.11, 3.48 A)
 &rst
  ixpk= 276, nxpk= 25, iat= 790,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 796, 797, 798, 800, 801, 802,
 &end
#
#    4 VAL  HN            4 VAL  MGY         2.80    (#    277:25  Unique         2.35, 4.03 A)
 &rst
  ixpk= 277, nxpk= 25, iat=  65,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=  71,  72,  73,  75,  76,  77,
 &end
#
#    0 AMB  25-2:278      4 VAL  MGY         4.50    (#    278:25  Single Ambig)
 &rst
  ixpk= 278, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=  81, 477,
 igr2=  71,  72,  73,  75,  76,  77,
 &end
#
#   24 THR  HN           24 THR  MG2         3.50    (#    279:25  Unique         3.97, 4.30 A)
 &rst
  ixpk= 279, nxpk= 25, iat= 379,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 385, 386, 387,
 &end
#
#   90 TRP  HE3          76 VAL  MGX         2.80    (#    280:25  Unique         2.08, 2.97 A)
 &rst
  ixpk= 280, nxpk= 25, iat=1325,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1120,1121,1122,1124,1125,1126,
 &end
#
#   77 ILE  HN           76 VAL  MGX         3.50    (#    281:25  Unique         2.59, 4.13 A)
 &rst
  ixpk= 281, nxpk= 25, iat=1130,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1120,1121,1122,1124,1125,1126,
 &end
#
#   73 TYR  HD           76 VAL  MGX         4.50    (#    282:25  Unique         3.11, 6.40 A)
 &rst
  ixpk= 282, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1073,1082,
 igr2=1120,1121,1122,1124,1125,1126,
 &end
#
#  116 ARG  HN          115 VAL  MGX         4.50    (#    283:25  Unique         3.56, 4.79 A)
 &rst
  ixpk= 283, nxpk= 25, iat=1730,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1720,1721,1722,1724,1725,1726,
 &end
#
#    6 PHE  HN            7 VAL  MGX         3.50    (#    284:25  Unique         2.57, 5.46 A)
 &rst
  ixpk= 284, nxpk= 25, iat=  98,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 124, 125, 126, 128, 129, 130,
 &end
#
#   91 VAL  HN           91 VAL  MGX         2.80    (#    285:25  Unique         2.01, 3.13 A)
 &rst
  ixpk= 285, nxpk= 25, iat=1330,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1336,1337,1338,1340,1341,1342,
 &end
#
#   31 ALA  HN           31 ALA  MB          2.80    (#    286:25  Unique         2.44, 3.10 A)
 &rst
  ixpk= 286, nxpk= 25, iat= 477,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 481, 482, 483,
 &end
#
#   82 SER  HN           84 VAL  MGY         3.50    (#    287:25  Unique         2.38, 4.33 A)
 &rst
  ixpk= 287, nxpk= 25, iat=1196,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1220,1221,1222,1224,1225,1226,
 &end
#
#    4 VAL  HN            4 VAL  MGX         4.50    (#    288:25  Unique         2.35, 4.03 A)
 &rst
  ixpk= 288, 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
#
#    5 MET  HN            4 VAL  MGX         2.80    (#    289:25  Unique         2.15, 4.03 A)
 &rst
  ixpk= 289, nxpk= 25, iat=  81,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=  71,  72,  73,  75,  76,  77,
 &end
#
#    6 PHE  HD            4 VAL  MGX         3.50    (#    290:25  Unique         2.82, 6.48 A)
 &rst
  ixpk= 290, 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
#
#   76 VAL  HN           76 VAL  MGY         3.50    (#    291:25  Unique         3.23, 4.41 A)
 &rst
  ixpk= 291, nxpk= 25, iat=1114,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1120,1121,1122,1124,1125,1126,
 &end
#
#   90 TRP  HE3          76 VAL  MGY         2.80    (#    292:25  Unique         2.08, 2.97 A)
 &rst
  ixpk= 292, nxpk= 25, iat=1325,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1120,1121,1122,1124,1125,1126,
 &end
#
#    0 AMB  25-2:293    111 VAL  MGX         3.50    (#    293:25  Single Ambig)
 &rst
  ixpk= 293, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1595,1656,
 igr2=1646,1647,1648,1650,1651,1652,
 &end
#
#  111 VAL  HN          111 VAL  MGX         4.50    (#    294:25  Unique         2.05, 3.76 A)
 &rst
  ixpk= 294, nxpk= 25, iat=1640,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1646,1647,1648,1650,1651,1652,
 &end
#
#   55 ILE  HN           53 VAL  MGX         3.50    (#    295:25  Unique         2.85, 5.02 A)
 &rst
  ixpk= 295, nxpk= 25, iat= 813,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 796, 797, 798, 800, 801, 802,
 &end
#
#   21 PHE  HE           53 VAL  MGX         2.80    (#    296:25  Unique         2.41, 5.39 A)
 &rst
  ixpk= 296, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 337, 341,
 igr2= 796, 797, 798, 800, 801, 802,
 &end
#
#   53 VAL  HN           53 VAL  MGX         3.50    (#    297:25  Unique         2.11, 3.48 A)
 &rst
  ixpk= 297, nxpk= 25, iat= 790,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 796, 797, 798, 800, 801, 802,
 &end
#
#   23 LYS  HN           22 ALA  MB          3.50    (#    298:25  Unique         2.63, 3.55 A)
 &rst
  ixpk= 298, nxpk= 25, iat= 357,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 351, 352, 353,
 &end
#
#    6 PHE  HD           22 ALA  MB          3.50    (#    299:25  Unique         3.41, 5.21 A)
 &rst
  ixpk= 299, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 106, 114,
 igr2= 351, 352, 353,
 &end
#
#   91 VAL  HN           91 VAL  MGY         2.80    (#    300:25  Unique         2.01, 3.13 A)
 &rst
  ixpk= 300, nxpk= 25, iat=1330,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1336,1337,1338,1340,1341,1342,
 &end
#
#    0 AMB  25-2:301    128 ALA  MB          2.80    (#    301:25  Single Ambig)
 &rst
  ixpk= 301, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1938,1948,
 igr2=1942,1943,1944,
 &end
#
#   27 ALA  HN           27 ALA  MB          2.80    (#    302:25  Unique         2.37, 2.87 A)
 &rst
  ixpk= 302, nxpk= 25, iat= 419,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 423, 424, 425,
 &end
#
#   49 MET  HN           48 ALA  MB          2.80    (#    303:25  Unique         2.76, 3.62 A)
 &rst
  ixpk= 303, nxpk= 25, iat= 726,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 720, 721, 722,
 &end
#
#   48 ALA  HN           48 ALA  MB          2.80    (#    304:25  Unique         2.51, 2.97 A)
 &rst
  ixpk= 304, nxpk= 25, iat= 716,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 720, 721, 722,
 &end
#
#    0 AMB  25-2:305     95 ILE  QG2         4.50    (#    305:25  Single Ambig)
 &rst
  ixpk= 305, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1377,1411,
 igr2=1398,1399,1400,
 &end
#
#   70 ALA  HN           70 ALA  MB          3.50    (#    306:25  Unique         2.50, 3.00 A)
 &rst
  ixpk= 306, nxpk= 25, iat=1031,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1035,1036,1037,
 &end
#
#   46 ALA  HN           46 ALA  MB          2.80    (#    307:25  Unique         2.46, 2.97 A)
 &rst
  ixpk= 307, nxpk= 25, iat= 687,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 691, 692, 693,
 &end
#
#  127 ILE  HN            0 AMB  25-1:308    3.50    (#    308:25  Single Ambig)
 &rst
  ixpk= 308, nxpk= 25, iat=1919,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1925,1926,1927,1976,1977,1978,
 &end
#
#  130 ILE  HN          130 ILE  QG2         2.80    (#    309:25  Unique         2.29, 3.21 A)
 &rst
  ixpk= 309, nxpk= 25, iat=1970,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1976,1977,1978,
 &end
#
#   18 ALA  HN           18 ALA  MB          2.80    (#    310:25  Unique         2.42, 2.96 A)
 &rst
  ixpk= 310, nxpk= 25, iat= 295,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 299, 300, 301,
 &end
#
#    6 PHE  HD           18 ALA  MB          2.80    (#    311:25  Unique         2.44, 4.44 A)
 &rst
  ixpk= 311, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 106, 114,
 igr2= 299, 300, 301,
 &end
#
#   68 PHE  HD            5 MET  ME          3.50    (#    312:25  Unique         2.90, 4.75 A)
 &rst
  ixpk= 312, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1005,1013,
 igr2=  92,  93,  94,
 &end
#
#   73 TYR  HE            5 MET  ME          3.50    (#    313:25  Unique         3.00, 4.03 A)
 &rst
  ixpk= 313, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1075,1080,
 igr2=  92,  93,  94,
 &end
#
#   56 ASP  HN           55 ILE  QG2         4.50    (#    315:25  Unique         2.46, 3.50 A)
 &rst
  ixpk= 315, nxpk= 25, iat= 832,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 819, 820, 821,
 &end
#
#   66 GLU  HN           65 ILE  QG2         3.50    (#    316:25  Unique         2.66, 3.54 A)
 &rst
  ixpk= 316, nxpk= 25, iat= 968,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 955, 956, 957,
 &end
#
#   65 ILE  HN           65 ILE  QG2         4.50    (#    317:25  Unique         2.19, 3.21 A)
 &rst
  ixpk= 317, nxpk= 25, iat= 949,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 955, 956, 957,
 &end
#
#    0 AMB  25-2:318     50 MET  ME          4.50    (#    318:25  Single Ambig)
 &rst
  ixpk= 318, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1666,1670, 273, 274,
 igr2= 754, 755, 756,
 &end
#
#  112 PHE  HD           50 MET  ME          3.50    (#    319:25  Unique         2.15, 5.27 A)
 &rst
  ixpk= 319, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1664,1672,
 igr2= 754, 755, 756,
 &end
#
#    0 AMB  25-2:320     17 MET  ME          4.50    (#    320:25  Single Ambig)
 &rst
  ixpk= 320, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 813, 743,
 igr2= 289, 290, 291,
 &end
#
#   21 PHE  HE           17 MET  ME          3.50    (#    321:25  Unique         2.83, 4.80 A)
 &rst
  ixpk= 321, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 337, 341,
 igr2= 289, 290, 291,
 &end
#
#   21 PHE  HD           17 MET  ME          3.50    (#    322:25  Unique         3.17, 4.80 A)
 &rst
  ixpk= 322, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 335, 343,
 igr2= 289, 290, 291,
 &end
#
#   21 PHE  HN           17 MET  ME          3.50    (#    323:25  Unique         2.88, 3.91 A)
 &rst
  ixpk= 323, nxpk= 25, iat= 327,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 289, 290, 291,
 &end
#
#    0 AMB  25-2:324    127 ILE  QD1         3.50    (#    324:25  Single Ambig)
 &rst
  ixpk= 324, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 412, 110,
 igr2=1932,1933,1934,
 &end
#
#   21 PHE  HD           55 ILE  QD1         3.50    (#    325:25  Unique         2.63, 4.75 A)
 &rst
  ixpk= 325, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 335, 343,
 igr2= 826, 827, 828,
 &end
#
#    6 PHE  HD           77 ILE  QG2         2.80    (#    326:25  Unique         2.24, 4.88 A)
 &rst
  ixpk= 326, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 106, 114,
 igr2=1136,1137,1138,
 &end
#
#   43 HIS  HA           44 PRO  HD-         2.80    (#    327:25  Unique         2.24, 2.47 A)
 &rst
  ixpk= 327, nxpk= 25, iat= 644,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 660, 661,
 &end
#
#   74 ASP  HA           74 ASP  HB+         2.80    (#    328:25  Unique         2.42, 2.74 A)
 &rst
  ixpk= 328, nxpk= 25, iat=1088,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1090,1091,
 &end
#
#   74 ASP  HA           74 ASP  HB-         2.80    (#    329:25  Unique         2.42, 2.74 A)
 &rst
  ixpk= 329, nxpk= 25, iat=1088,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1090,1091,
 &end
#
#   98 ASP  HA           98 ASP  HB+         3.50    (#    331:25  Unique         2.19, 2.65 A)
 &rst
  ixpk= 331, nxpk= 25, iat=1448,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1450,1451,
 &end
#
#   63 ASP  HA           63 ASP  HB+         2.80    (#    332:25  Unique         2.77, 2.90 A)
 &rst
  ixpk= 332, nxpk= 25, iat= 925,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 927, 928,
 &end
#
#   30 ILE  HA           30 ILE  HB          2.80    (#    333:25  Unique         2.44, 2.47 A)
 &rst
  ixpk= 333, nxpk= 25, iat= 460, 462, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  103 ASP  HA          103 ASP  HB+         2.80    (#    336:25  Unique         2.23, 2.66 A)
 &rst
  ixpk= 336, nxpk= 25, iat=1535,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1537,1538,
 &end
#
#  103 ASP  HA          103 ASP  HB-         2.80    (#    337:25  Unique         2.23, 2.66 A)
 &rst
  ixpk= 337, nxpk= 25, iat=1535,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1537,1538,
 &end
#
#   25 LEU  HA           25 LEU  HB-         3.50    (#    338:25  Unique         2.52, 2.79 A)
 &rst
  ixpk= 338, nxpk= 25, iat= 395,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 397, 398,
 &end
#
#   72 ASP  HA           72 ASP  HB+         2.80    (#    341:25  Unique         2.50, 2.77 A)
 &rst
  ixpk= 341, nxpk= 25, iat=1055,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1057,1058,
 &end
#
#   72 ASP  HA           72 ASP  HB-         2.80    (#    342:25  Unique         2.50, 2.77 A)
 &rst
  ixpk= 342, nxpk= 25, iat=1055,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1057,1058,
 &end
#
#   71 ASP  HA           71 ASP  HB+         2.80    (#    343:25  Unique         2.43, 2.75 A)
 &rst
  ixpk= 343, nxpk= 25, iat=1043,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1045,1046,
 &end
#
#   71 ASP  HA           71 ASP  HB-         2.80    (#    344:25  Unique         2.43, 2.75 A)
 &rst
  ixpk= 344, nxpk= 25, iat=1043,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1045,1046,
 &end
#
#   73 TYR  HA           73 TYR  HB+         2.80    (#    345:25  Unique         2.46, 2.79 A)
 &rst
  ixpk= 345, nxpk= 25, iat=1067,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1069,1070,
 &end
#
#   69 ASN  HA           69 ASN  HB+         2.80    (#    346:25  Unique         2.34, 2.69 A)
 &rst
  ixpk= 346, nxpk= 25, iat=1019,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1021,1022,
 &end
#
#   69 ASN  HA           69 ASN  HB-         2.80    (#    347:25  Unique         2.34, 2.69 A)
 &rst
  ixpk= 347, nxpk= 25, iat=1019,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1021,1022,
 &end
#
#  105 ASP  HA          105 ASP  HB-         2.80    (#    348:25  Unique         2.31, 2.71 A)
 &rst
  ixpk= 348, nxpk= 25, iat=1561,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1563,1564,
 &end
#
#  130 ILE  HA          130 ILE  HB          2.80    (#    349:25  Unique         2.32, 2.37 A)
 &rst
  ixpk= 349, nxpk= 25, iat=1972,1974, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  125 ASN  HA          125 ASN  HB-         2.80    (#    351:25  Unique         2.26, 2.77 A)
 &rst
  ixpk= 351, nxpk= 25, iat=1888,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1890,1891,
 &end
#
#  125 ASN  HA          125 ASN  HB+         2.80    (#    352:25  Unique         2.26, 2.77 A)
 &rst
  ixpk= 352, nxpk= 25, iat=1888,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1890,1891,
 &end
#
#   57 ILE  HA           57 ILE  HB          2.80    (#    354:25  Unique         2.46, 2.50 A)
 &rst
  ixpk= 354, nxpk= 25, iat= 846, 848, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   67 ASN  HA           67 ASN  HB-         2.80    (#    355:25  Unique         2.51, 2.79 A)
 &rst
  ixpk= 355, nxpk= 25, iat= 985,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 987, 988,
 &end
#
#   67 ASN  HA           67 ASN  HB+         3.50    (#    356:25  Unique         2.51, 2.79 A)
 &rst
  ixpk= 356, nxpk= 25, iat= 985,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 987, 988,
 &end
#
#   52 GLU  HA           52 GLU  HG+         3.50    (#    357:25  Unique         2.71, 3.56 A)
 &rst
  ixpk= 357, nxpk= 25, iat= 777,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 782, 783,
 &end
#
#   52 GLU  HA           52 GLU  HG-         3.50    (#    358:25  Unique         2.71, 3.56 A)
 &rst
  ixpk= 358, nxpk= 25, iat= 777,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 782, 783,
 &end
#
#    0 AMB  25-2:359      0 AMB  25-1:359    2.80    (#    359:25  Double Ambig)
 &rst
  ixpk= 359, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 970, 985,
 igr2= 975, 976, 975, 976,
 &end
#
#    0 AMB  25-2:360     66 GLU  HG-         2.80    (#    360:25  Single Ambig)
 &rst
  ixpk= 360, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 970, 985,
 igr2= 975, 976,
 &end
#
#   97 GLU  HA           97 GLU  HG+         3.50    (#    361:25  Unique         2.42, 3.36 A)
 &rst
  ixpk= 361, nxpk= 25, iat=1433,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1438,1439,
 &end
#
#   38 GLU  HA           38 GLU  HG+         2.80    (#    362:25  Unique         2.43, 3.02 A)
 &rst
  ixpk= 362, nxpk= 25, iat= 567,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 572, 573,
 &end
#
#   38 GLU  HA           38 GLU  HG-         3.50    (#    363:25  Unique         2.43, 3.02 A)
 &rst
  ixpk= 363, nxpk= 25, iat= 567,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 572, 573,
 &end
#
#   97 GLU  HA           97 GLU  HG-         4.50    (#    364:25  Unique         2.42, 3.36 A)
 &rst
  ixpk= 364, nxpk= 25, iat=1433,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1438,1439,
 &end
#
#   57 ILE  HA           60 GLN  HG+         3.50    (#    365:25  Unique         2.19, 3.65 A)
 &rst
  ixpk= 365, nxpk= 25, iat= 846,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 888, 889,
 &end
#
#   60 GLN  HA           60 GLN  HG+         2.80    (#    366:25  Unique         2.31, 2.83 A)
 &rst
  ixpk= 366, nxpk= 25, iat= 883,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 888, 889,
 &end
#
#    4 VAL  HA           75 VAL  HB          4.50    (#    367:25  Unique         2.19, 3.78 A)
 &rst
  ixpk= 367, nxpk= 25, iat=  67,1102, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:368      0 AMB  25-1:368    2.80    (#    368:25  Double Ambig)
 &rst
  ixpk= 368, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1100, 438,
 igr2=1102, 440, 441,
 &end
#
#   32 VAL  HA           32 VAL  HB          3.50    (#    370:25  Unique         2.41, 2.96 A)
 &rst
  ixpk= 370, nxpk= 25, iat= 489, 491, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   97 GLU  HA           97 GLU  HB+         2.80    (#    371:25  Unique         2.35, 2.74 A)
 &rst
  ixpk= 371, nxpk= 25, iat=1433,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1435,1436,
 &end
#
#   32 VAL  HA            4 VAL  HB          2.80    (#    372:25  Unique         2.06, 2.22 A)
 &rst
  ixpk= 372, nxpk= 25, iat= 489,  69, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  107 GLN  HA          107 GLN  HG-         3.50    (#    374:25  Unique         2.65, 3.68 A)
 &rst
  ixpk= 374, nxpk= 25, iat=1580,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1585,1586,
 &end
#
#  118 GLN  HA          118 GLN  HG+         2.80    (#    375:25  Unique         2.37, 3.17 A)
 &rst
  ixpk= 375, nxpk= 25, iat=1763,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1768,1769,
 &end
#
#  118 GLN  HA          118 GLN  HG-         3.50    (#    376:25  Unique         2.37, 3.17 A)
 &rst
  ixpk= 376, nxpk= 25, iat=1763,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1768,1769,
 &end
#
#    1 MET  HA            1 MET  HB+         2.80    (#    377:25  Unique         2.30, 2.55 A)
 &rst
  ixpk= 377, nxpk= 25, iat=   6,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=   8,   9,
 &end
#
#    2 LYS  HA            2 LYS  HB+         3.50    (#    378:25  Unique         2.22, 2.65 A)
 &rst
  ixpk= 378, nxpk= 25, iat=  23,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  25,  26,
 &end
#
#    1 MET  HA            1 MET  HB-         2.80    (#    379:25  Unique         2.30, 2.55 A)
 &rst
  ixpk= 379, nxpk= 25, iat=   6,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=   8,   9,
 &end
#
#    0 AMB  25-2:380      0 AMB  25-1:380    2.80    (#    380:25  Double Ambig)
 &rst
  ixpk= 380, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 263,  45,
 igr2= 265, 266,  47,  48,
 &end
#
#   73 TYR  HA            3 LYS  HB+         3.50    (#    381:25  Unique         2.03, 2.95 A)
 &rst
  ixpk= 381, nxpk= 25, iat=1067,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  47,  48,
 &end
#
#    2 LYS  HA            2 LYS  HB-         2.80    (#    382:25  Unique         2.22, 2.65 A)
 &rst
  ixpk= 382, nxpk= 25, iat=  23,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=  25,  26,
 &end
#
#  129 LYS  HA            0 AMB  25-1:383    3.50    (#    383:25  Single Ambig)
 &rst
  ixpk= 383, nxpk= 25, iat=1950,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2=1952,1953,1952,1953,
 &end
#
#  129 LYS  HA            0 AMB  25-1:384    3.50    (#    384:25  Single Ambig)
 &rst
  ixpk= 384, nxpk= 25, iat=1950,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2=1952,1953,1952,1953,
 &end
#
#   23 LYS  HA           23 LYS  HB+         2.80    (#    386:25  Unique         2.26, 2.55 A)
 &rst
  ixpk= 386, nxpk= 25, iat= 359,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 361, 362,
 &end
#
#   38 GLU  HA           38 GLU  HB-         2.80    (#    387:25  Unique         2.42, 2.76 A)
 &rst
  ixpk= 387, nxpk= 25, iat= 567,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 569, 570,
 &end
#
#   44 PRO  HA           44 PRO  HB+         2.80    (#    388:25  Unique         2.27, 2.54 A)
 &rst
  ixpk= 388, nxpk= 25, iat= 669,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 666, 667,
 &end
#
#   88 PRO  HA           88 PRO  HB+         2.80    (#    390:25  Unique         2.30, 2.61 A)
 &rst
  ixpk= 390, nxpk= 25, iat=1287,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1284,1285,
 &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= 3.96, r4= 4.71,
 igr1= 669,1287,
 igr2= 666, 667,1284,1285,
 &end
#
#   41 ARG  HA           41 ARG  HB-         2.80    (#    392:25  Unique         2.21, 2.85 A)
 &rst
  ixpk= 392, nxpk= 25, iat= 604,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 606, 607,
 &end
#
#   41 ARG  HA           41 ARG  HB+         3.50    (#    393:25  Unique         2.21, 2.85 A)
 &rst
  ixpk= 393, nxpk= 25, iat= 604,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 606, 607,
 &end
#
#    1 MET  HA            1 MET  HG+         3.50    (#    394:25  Unique         2.29, 3.54 A)
 &rst
  ixpk= 394, 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    (#    395:25  Unique         2.29, 3.54 A)
 &rst
  ixpk= 395, nxpk= 25, iat=   6,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  11,  12,
 &end
#
#   91 VAL  HA           91 VAL  HB          2.80    (#    397:25  Unique         2.26, 2.38 A)
 &rst
  ixpk= 397, nxpk= 25, iat=1332,1334, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   52 GLU  HA           52 GLU  HB-         2.80    (#    401:25  Unique         2.28, 2.59 A)
 &rst
  ixpk= 401, nxpk= 25, iat= 777,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 779, 780,
 &end
#
#   52 GLU  HA           52 GLU  HB+         2.80    (#    402:25  Unique         2.28, 2.59 A)
 &rst
  ixpk= 402, nxpk= 25, iat= 777,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 779, 780,
 &end
#
#   90 TRP  HA           90 TRP  HB-         3.50    (#    403:25  Unique         2.49, 2.78 A)
 &rst
  ixpk= 403, nxpk= 25, iat=1308,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1310,1311,
 &end
#
#  107 GLN  HA          107 GLN  HB+         2.80    (#    404:25  Unique         2.29, 2.54 A)
 &rst
  ixpk= 404, nxpk= 25, iat=1580,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1582,1583,
 &end
#
#   48 ALA  HA           51 GLU  HB+         3.50    (#    407:25  Unique         2.85, 3.37 A)
 &rst
  ixpk= 407, nxpk= 25, iat= 718,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 764, 765,
 &end
#
#   60 GLN  HA           60 GLN  HB-         2.80    (#    408:25  Unique         2.38, 2.75 A)
 &rst
  ixpk= 408, nxpk= 25, iat= 883,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 885, 886,
 &end
#
#    0 AMB  25-2:409    110 GLU  HB-         2.80    (#    409:25  Single Ambig)
 &rst
  ixpk= 409, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1627,1599,1600,
 igr2=1629,1630,
 &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= 4.24, r4= 4.99,
 igr1=1627,1599,1600,
 igr2=1629,1630,1629,1630,
 &end
#
#  118 GLN  HA          118 GLN  HB-         2.80    (#    411:25  Unique         2.37, 2.78 A)
 &rst
  ixpk= 411, nxpk= 25, iat=1763,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1765,1766,
 &end
#
#  118 GLN  HA          118 GLN  HB+         2.80    (#    412:25  Unique         2.37, 2.78 A)
 &rst
  ixpk= 412, nxpk= 25, iat=1763,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1765,1766,
 &end
#
#   66 GLU  HA           66 GLU  HB+         2.80    (#    413:25  Unique         2.39, 2.72 A)
 &rst
  ixpk= 413, nxpk= 25, iat= 970,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 972, 973,
 &end
#
#    0 AMB  25-2:414      0 AMB  25-1:414    3.50    (#    414:25  Double Ambig)
 &rst
  ixpk= 414, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1287, 669,
 igr2=1281,1282, 663, 664,
 &end
#
#  129 LYS  HA          129 LYS  HG+         3.50    (#    416:25  Unique         2.47, 3.28 A)
 &rst
  ixpk= 416, nxpk= 25, iat=1950,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1955,1956,
 &end
#
#   29 LYS  HA           29 LYS  HG+         3.50    (#    417:25  Unique         2.64, 3.35 A)
 &rst
  ixpk= 417, nxpk= 25, iat= 438,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 443, 444,
 &end
#
#    0 AMB  25-2:418    119 VAL  MGY         5.50    (#    418:25  Single Ambig)
 &rst
  ixpk= 418, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1732,1763,
 igr2=1784,1785,1786,1788,1789,1790,
 &end
#
#  101 LEU  HA          101 LEU  MDX         3.50    (#    419:25  Unique         2.09, 3.86 A)
 &rst
  ixpk= 419, nxpk= 25, iat=1501,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1508,1509,1510,1512,1513,1514,
 &end
#
#   86 LEU  HA           86 LEU  MDY         3.50    (#    421:25  Unique         2.24, 4.25 A)
 &rst
  ixpk= 421, nxpk= 25, iat=1246,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1253,1254,1255,1257,1258,1259,
 &end
#
#  104 PRO  HD+         115 VAL  MGY         3.50    (#    422:25  Unique         2.03, 3.85 A)
 &rst
  ixpk= 422, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1546,1547,
 igr2=1720,1721,1722,1724,1725,1726,
 &end
#
#  126 LEU  HA          126 LEU  MDX         2.80    (#    423:25  Unique         2.27, 3.84 A)
 &rst
  ixpk= 423, nxpk= 25, iat=1902,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1909,1910,1911,1913,1914,1915,
 &end
#
#    0 AMB  25-2:426      0 AMB  25-1:426    5.50    (#    426:25  Double Ambig)
 &rst
  ixpk= 426, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1= 359,1546,1547,
 igr2= 493, 494, 495, 497, 498, 499,1646,1647,1648,1650,
      1651,1652,
 &end
#
#   32 VAL  HA           32 VAL  MGY         3.50    (#    427:25  Unique         2.32, 3.21 A)
 &rst
  ixpk= 427, nxpk= 25, iat= 489,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 493, 494, 495, 497, 498, 499,
 &end
#
#   25 LEU  HA           25 LEU  MDX         4.50    (#    428:25  Unique         2.25, 3.96 A)
 &rst
  ixpk= 428, nxpk= 25, iat= 395,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 402, 403, 404, 406, 407, 408,
 &end
#
#   33 THR  HA           33 THR  MG2         2.80    (#    429:25  Unique         2.47, 3.17 A)
 &rst
  ixpk= 429, nxpk= 25, iat= 505,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 509, 510, 511,
 &end
#
#  109 LEU  HA          109 LEU  MDX         2.80    (#    430:25  Unique         2.17, 3.73 A)
 &rst
  ixpk= 430, nxpk= 25, iat=1608,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1615,1616,1617,1619,1620,1621,
 &end
#
#    0 AMB  25-2:431      0 AMB  25-1:431    4.50    (#    431:25  Double Ambig)
 &rst
  ixpk= 431, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1= 604, 846, 505,
 igr2= 632, 633, 634, 636, 637, 638, 493, 494, 495, 497,
       498, 499,
 &end
#
#    0 AMB  25-2:432      0 AMB  25-1:432    3.50    (#    432:25  Double Ambig)
 &rst
  ixpk= 432, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 489, 263,
 igr2= 493, 494, 495, 497, 498, 499, 632, 633, 634, 636,
       637, 638,
 &end
#
#   31 ALA  HA           32 VAL  MGX         4.50    (#    433:25  Unique         3.27, 5.67 A)
 &rst
  ixpk= 433, nxpk= 25, iat= 479,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 493, 494, 495, 497, 498, 499,
 &end
#
#    0 AMB  25-2:434      0 AMB  25-1:434    2.80    (#    434:25  Double Ambig)
 &rst
  ixpk= 434, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1= 359, 669,
 igr2= 493, 494, 495, 497, 498, 499, 632, 633, 634, 636,
       637, 638,
 &end
#
#   61 THR  HB           61 THR  MG2         2.80    (#    435:25  Unique         2.33, 2.64 A)
 &rst
  ixpk= 435, nxpk= 25, iat= 902,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 904, 905, 906,
 &end
#
#    4 VAL  HA           75 VAL  MGY         3.50    (#    436:25  Unique         1.98, 3.89 A)
 &rst
  ixpk= 436, nxpk= 25, iat=  67,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1104,1105,1106,1108,1109,1110,
 &end
#
#   75 VAL  HA           75 VAL  MGY         2.80    (#    437:25  Unique         2.48, 3.53 A)
 &rst
  ixpk= 437, nxpk= 25, iat=1100,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1104,1105,1106,1108,1109,1110,
 &end
#
#  114 THR  HB          114 THR  MG2         2.80    (#    438:25  Unique         2.33, 2.61 A)
 &rst
  ixpk= 438, nxpk= 25, iat=1704,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1706,1707,1708,
 &end
#
#    0 AMB  25-2:440     92 THR  MG2         4.50    (#    440:25  Single Ambig)
 &rst
  ixpk= 440, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1332,1308,
 igr2=1352,1353,1354,
 &end
#
#    0 AMB  25-2:441     92 THR  MG2         2.80    (#    441:25  Single Ambig)
 &rst
  ixpk= 441, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1350,1348,
 igr2=1352,1353,1354,
 &end
#
#   49 MET  HA           49 MET  ME          2.80    (#    443:25  Unique         2.90, 3.74 A)
 &rst
  ixpk= 443, nxpk= 25, iat= 728,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 737, 738, 739,
 &end
#
#    0 AMB  25-2:444     49 MET  ME          4.50    (#    444:25  Single Ambig)
 &rst
  ixpk= 444, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 718,1608,
 igr2= 737, 738, 739,
 &end
#
#    0 AMB  25-2:446      4 VAL  MGY         2.80    (#    446:25  Single Ambig)
 &rst
  ixpk= 446, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=  45, 489,
 igr2=  71,  72,  73,  75,  76,  77,
 &end
#
#    4 VAL  HA            4 VAL  MGY         2.80    (#    447:25  Unique         2.41, 3.24 A)
 &rst
  ixpk= 447, 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
#
#    0 AMB  25-2:449     24 THR  MG2         2.80    (#    449:25  Single Ambig)
 &rst
  ixpk= 449, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 383, 381,
 igr2= 385, 386, 387,
 &end
#
#  104 PRO  HD+         115 VAL  MGX         3.50    (#    451:25  Unique         2.03, 3.85 A)
 &rst
  ixpk= 451, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1546,1547,
 igr2=1720,1721,1722,1724,1725,1726,
 &end
#
#    7 VAL  HA            7 VAL  MGY         3.50    (#    452:25  Unique         2.48, 3.57 A)
 &rst
  ixpk= 452, 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  MGX         3.50    (#    453:25  Unique         2.48, 3.57 A)
 &rst
  ixpk= 453, 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
#
#   91 VAL  HA           91 VAL  MGX         3.50    (#    454:25  Unique         2.35, 3.53 A)
 &rst
  ixpk= 454, nxpk= 25, iat=1332,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1336,1337,1338,1340,1341,1342,
 &end
#
#    3 LYS  HA           31 ALA  MB          2.80    (#    455:25  Unique         2.21, 3.45 A)
 &rst
  ixpk= 455, nxpk= 25, iat=  45,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 481, 482, 483,
 &end
#
#   31 ALA  HA           31 ALA  MB          2.80    (#    456:25  Unique         2.44, 2.67 A)
 &rst
  ixpk= 456, nxpk= 25, iat= 479,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 481, 482, 483,
 &end
#
#    0 AMB  25-2:458      4 VAL  MGX         4.50    (#    458:25  Single Ambig)
 &rst
  ixpk= 458, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=  45, 489,
 igr2=  71,  72,  73,  75,  76,  77,
 &end
#
#    4 VAL  HA            4 VAL  MGX         2.80    (#    459:25  Unique         2.41, 3.24 A)
 &rst
  ixpk= 459, 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
#
#    4 VAL  HA           76 VAL  MGY         4.50    (#    460:25  Unique         4.46, 6.15 A)
 &rst
  ixpk= 460, nxpk= 25, iat=  67,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1120,1121,1122,1124,1125,1126,
 &end
#
#    4 VAL  HA           75 VAL  MGX         4.50    (#    461:25  Unique         1.98, 3.89 A)
 &rst
  ixpk= 461, nxpk= 25, iat=  67,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1104,1105,1106,1108,1109,1110,
 &end
#
#   75 VAL  HA           75 VAL  MGX         3.50    (#    462:25  Unique         2.48, 3.53 A)
 &rst
  ixpk= 462, nxpk= 25, iat=1100,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1104,1105,1106,1108,1109,1110,
 &end
#
#   50 MET  HA           53 VAL  MGX         4.50    (#    463:25  Unique         2.24, 4.32 A)
 &rst
  ixpk= 463, nxpk= 25, iat= 745,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 796, 797, 798, 800, 801, 802,
 &end
#
#   88 PRO  HA           91 VAL  MGY         2.80    (#    465:25  Unique         2.04, 3.75 A)
 &rst
  ixpk= 465, nxpk= 25, iat=1287,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1336,1337,1338,1340,1341,1342,
 &end
#
#   30 ILE  HA           30 ILE  QG2         2.80    (#    467:25  Unique         2.23, 3.01 A)
 &rst
  ixpk= 467, nxpk= 25, iat= 460,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 464, 465, 466,
 &end
#
#   57 ILE  HA           57 ILE  QG2         2.80    (#    468:25  Unique         2.33, 3.05 A)
 &rst
  ixpk= 468, nxpk= 25, iat= 846,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 850, 851, 852,
 &end
#
#  125 ASN  HA          128 ALA  MB          2.80    (#    469:25  Unique         2.48, 3.45 A)
 &rst
  ixpk= 469, nxpk= 25, iat=1888,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1942,1943,1944,
 &end
#
#  128 ALA  HA          128 ALA  MB          2.80    (#    470:25  Unique         2.45, 2.66 A)
 &rst
  ixpk= 470, nxpk= 25, iat=1940,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1942,1943,1944,
 &end
#
#   27 ALA  HA           27 ALA  MB          2.80    (#    471:25  Unique         2.46, 2.67 A)
 &rst
  ixpk= 471, nxpk= 25, iat= 421,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 423, 424, 425,
 &end
#
#   48 ALA  HA           48 ALA  MB          2.80    (#    472:25  Unique         2.41, 2.67 A)
 &rst
  ixpk= 472, nxpk= 25, iat= 718,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 720, 721, 722,
 &end
#
#   95 ILE  HA           95 ILE  QG2         3.50    (#    473:25  Unique         3.71, 3.94 A)
 &rst
  ixpk= 473, nxpk= 25, iat=1394,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1398,1399,1400,
 &end
#
#   90 TRP  HA           70 ALA  MB          3.50    (#    474:25  Unique         2.26, 3.09 A)
 &rst
  ixpk= 474, nxpk= 25, iat=1308,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1035,1036,1037,
 &end
#
#  104 PRO  HD+          46 ALA  MB          5.50    (#    475:25  Unique         4.51, 6.13 A)
 &rst
  ixpk= 475, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1546,1547,
 igr2= 691, 692, 693,
 &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= 4.53, r4= 5.28,
 igr1= 414, 415, 718,
 igr2=1925,1926,1927, 703, 704, 705,
 &end
#
#  130 ILE  HA          130 ILE  QG2         2.80    (#    477:25  Unique         2.28, 3.01 A)
 &rst
  ixpk= 477, nxpk= 25, iat=1972,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1976,1977,1978,
 &end
#
#   55 ILE  HA           55 ILE  QG2         3.50    (#    478:25  Unique         2.66, 3.38 A)
 &rst
  ixpk= 478, nxpk= 25, iat= 815,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 819, 820, 821,
 &end
#
#  116 ARG  HA           50 MET  ME          4.50    (#    480:25  Unique         3.80, 5.55 A)
 &rst
  ixpk= 480, nxpk= 25, iat=1732,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 754, 755, 756,
 &end
#
#   50 MET  HA           17 MET  ME          4.50    (#    481:25  Unique         3.25, 4.40 A)
 &rst
  ixpk= 481, nxpk= 25, iat= 745,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 289, 290, 291,
 &end
#
#   21 PHE  HA           55 ILE  QD1         3.50    (#    482:25  Unique         2.28, 3.10 A)
 &rst
  ixpk= 482, nxpk= 25, iat= 329,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 826, 827, 828,
 &end
#
#   24 THR  HB           55 ILE  QD1         3.50    (#    483:25  Unique         2.64, 3.54 A)
 &rst
  ixpk= 483, nxpk= 25, iat= 383,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 826, 827, 828,
 &end
#
#   26 GLY  HA+         127 ILE  QD1         3.50    (#    484:25  Unique         2.78, 4.03 A)
 &rst
  ixpk= 484, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 414, 415,
 igr2=1932,1933,1934,
 &end
#
#   44 PRO  HA           47 ILE  QD1         2.80    (#    485:25  Unique         2.22, 3.51 A)
 &rst
  ixpk= 485, nxpk= 25, iat= 669,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 710, 711, 712,
 &end
#
#  119 VAL  MGY         119 VAL  HA          2.80    (#    486:25  Unique         2.35, 3.15 A)
 &rst
  ixpk= 486, nxpk= 25, iat=  -1,1780, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1784,1785,1786,1788,1789,1790,
 &end
#
#    0 AMB  25-2:487    119 VAL  HA          2.80    (#    487:25  Single Ambig)
 &rst
  ixpk= 487, nxpk= 25, iat=  -1,1780, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1508,1509,1510,1512,1513,1514,1784,1785,1786,1788,
      1789,1790,
 &end
#
#  130 ILE  HG1-        127 ILE  HA          2.80    (#    489:25  Unique         2.10, 2.65 A)
 &rst
  ixpk= 489, nxpk= 25, iat=  -1,1921, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1980,1981,
 &end
#
#    0 AMB  25-2:490      0 AMB  25-1:490    2.80    (#    490:25  Double Ambig)
 &rst
  ixpk= 490, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 703, 704, 705,1925,1926,1927,
 igr2= 699,1921,
 &end
#
#    0 AMB  25-2:491    127 ILE  HA          2.80    (#    491:25  Single Ambig)
 &rst
  ixpk= 491, nxpk= 25, iat=  -1,1921, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 471, 472, 473,1932,1933,1934,
 &end
#
#    0 AMB  25-2:492      0 AMB  25-1:492    5.50    (#    492:25  Double Ambig)
 &rst
  ixpk= 492, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1= 691, 692, 693, 446, 447, 440, 441,1958,1959,
 igr2= 699,1921,
 &end
#
#    0 AMB  25-2:493      0 AMB  25-1:493    2.80    (#    493:25  Double Ambig)
 &rst
  ixpk= 493, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 854, 855,1909,1910,1911,1913,1914,1915,
 igr2= 699,1921,
 &end
#
#    0 AMB  25-2:494     47 ILE  HA          2.80    (#    494:25  Single Ambig)
 &rst
  ixpk= 494, nxpk= 25, iat=  -1, 699, r1= 0.00, r2= 1.80, r3= 3.66, r4= 4.41,
 igr1= 857, 858, 859, 707, 708,
 &end
#
#  122 ARG  HB+         122 ARG  HA          2.80    (#    495:25  Unique         2.36, 2.74 A)
 &rst
  ixpk= 495, nxpk= 25, iat=  -1,1833, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1835,1836,
 &end
#
#  122 ARG  HG+         122 ARG  HA          3.50    (#    496:25  Unique         2.23, 2.94 A)
 &rst
  ixpk= 496, nxpk= 25, iat=  -1,1833, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1838,1839,
 &end
#
#    0 AMB  25-2:497     44 PRO  HD-         2.80    (#    497:25  Single Ambig)
 &rst
  ixpk= 497, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 663, 664, 666, 667,
 igr2= 660, 661,
 &end
#
#   17 MET  ME           20 GLY  HA-         4.50    (#    498:25  Unique         2.63, 4.59 A)
 &rst
  ixpk= 498, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 289, 290, 291,
 igr2= 322, 323,
 &end
#
#   57 ILE  QG2          20 GLY  HA-         3.50    (#    499:25  Unique         2.37, 3.30 A)
 &rst
  ixpk= 499, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 850, 851, 852,
 igr2= 322, 323,
 &end
#
#   55 ILE  QG2          20 GLY  HA-         3.50    (#    500:25  Unique         2.29, 3.41 A)
 &rst
  ixpk= 500, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 819, 820, 821,
 igr2= 322, 323,
 &end
#
#    2 LYS  HD-          74 ASP  HB+         5.50    (#    501:25  Unique         4.06, 5.17 A)
 &rst
  ixpk= 501, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=  31,  32,
 igr2=1090,1091,
 &end
#
#   75 VAL  MGX          74 ASP  HB+         2.80    (#    502:25  Unique         2.33, 5.60 A)
 &rst
  ixpk= 502, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1104,1105,1106,1108,1109,1110,
 igr2=1090,1091,
 &end
#
#   41 ARG  HB-          41 ARG  HD+         2.80    (#    503:25  Unique         2.32, 3.06 A)
 &rst
  ixpk= 503, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 606, 607,
 igr2= 612, 613,
 &end
#
#    0 AMB  25-2:504      0 AMB  25-1:504    2.80    (#    504:25  Double Ambig)
 &rst
  ixpk= 504, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 609, 610, 609, 610,
 igr2= 612, 613, 612, 613,
 &end
#
#  113 ARG  HG-         113 ARG  HD-         2.80    (#    507:25  Unique         2.36, 2.75 A)
 &rst
  ixpk= 507, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1683,1684,
 igr2=1686,1687,
 &end
#
#    0 AMB  25-2:508      0 AMB  25-1:508    4.50    (#    508:25  Double Ambig)
 &rst
  ixpk= 508, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1613,1680,1681,
 igr2=1686,1687,1686,1687,
 &end
#
#    2 LYS  HG-           2 LYS  HE+         2.80    (#    509:25  Unique         2.22, 3.23 A)
 &rst
  ixpk= 509, 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  25-2:510      0 AMB  25-1:510    3.50    (#    510:25  Double Ambig)
 &rst
  ixpk= 510, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=  28,  29,  31,  32,  31,  32,
 igr2=  34,  35,  34,  35,  34,  35,
 &end
#
#    0 AMB  25-2:511      0 AMB  25-1:511    2.80    (#    511:25  Double Ambig)
 &rst
  ixpk= 511, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1= 464, 465, 466,1925,1926,1927,
 igr2=  34,  35, 449, 450,
 &end
#
#    0 AMB  25-2:513      0 AMB  25-1:513    2.80    (#    513:25  Double Ambig)
 &rst
  ixpk= 513, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.99, r4= 5.74,
 igr1=1801,1802, 493, 494, 495, 497, 498, 499,
 igr2=1807,1808, 370, 371,
 &end
#
#  120 LYS  HD-         120 LYS  HE+         2.80    (#    514:25  Unique         2.34, 2.70 A)
 &rst
  ixpk= 514, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1804,1805,
 igr2=1807,1808,
 &end
#
#   23 LYS  HB-          23 LYS  HE+         3.50    (#    515:25  Unique         2.03, 3.12 A)
 &rst
  ixpk= 515, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 361, 362,
 igr2= 370, 371,
 &end
#
#    0 AMB  25-2:516      0 AMB  25-1:516    3.50    (#    516:25  Double Ambig)
 &rst
  ixpk= 516, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 361, 362,1952,1953,
 igr2= 370, 371,1961,1962,
 &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= 4.44, r4= 5.19,
 igr1=1958,1959, 367, 368,
 igr2=1961,1962, 370, 371,
 &end
#
#    0 AMB  25-2:518      0 AMB  25-1:518    5.50    (#    518:25  Double Ambig)
 &rst
  ixpk= 518, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
 igr1= 402, 403, 404, 406, 407, 408,1861,1862,1863,1865,
      1866,1867,
 igr2= 331, 332, 331, 332,
 &end
#
#    0 AMB  25-2:519     21 PHE  HB-         3.50    (#    519:25  Single Ambig)
 &rst
  ixpk= 519, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 402, 403, 404, 406, 407, 408,1861,1862,1863,1865,
      1866,1867,
 igr2= 331, 332,
 &end
#
#    0 AMB  25-2:520      0 AMB  25-1:520    3.50    (#    520:25  Double Ambig)
 &rst
  ixpk= 520, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.77, r4= 6.52,
 igr1= 754, 755, 756, 282, 283,
 igr2= 285, 286, 285, 286,
 &end
#
#   61 THR  MG2          61 THR  HB          2.80    (#    521:25  Unique         2.33, 2.64 A)
 &rst
  ixpk= 521, nxpk= 25, iat=  -1, 902, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 904, 905, 906,
 &end
#
#   24 THR  MG2          24 THR  HB          2.80    (#    524:25  Unique         2.32, 2.60 A)
 &rst
  ixpk= 524, nxpk= 25, iat=  -1, 383, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 385, 386, 387,
 &end
#
#   55 ILE  QD1          24 THR  HB          3.50    (#    525:25  Unique         2.64, 3.54 A)
 &rst
  ixpk= 525, nxpk= 25, iat=  -1, 383, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 826, 827, 828,
 &end
#
#   92 THR  MG2          92 THR  HB          2.80    (#    526:25  Unique         2.28, 2.65 A)
 &rst
  ixpk= 526, nxpk= 25, iat=  -1,1350, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1352,1353,1354,
 &end
#
#  114 THR  MG2         114 THR  HB          2.80    (#    527:25  Unique         2.33, 2.61 A)
 &rst
  ixpk= 527, nxpk= 25, iat=  -1,1704, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1706,1707,1708,
 &end
#
#  114 THR  MG2         114 THR  HA          2.80    (#    528:25  Unique         2.73, 3.38 A)
 &rst
  ixpk= 528, nxpk= 25, iat=  -1,1702, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1706,1707,1708,
 &end
#
#   24 THR  MG2          24 THR  HA          2.80    (#    529:25  Unique         2.65, 3.40 A)
 &rst
  ixpk= 529, nxpk= 25, iat=  -1, 381, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 385, 386, 387,
 &end
#
#   47 ILE  QD1          44 PRO  HA          2.80    (#    530:25  Unique         2.22, 3.51 A)
 &rst
  ixpk= 530, nxpk= 25, iat=  -1, 669, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 710, 711, 712,
 &end
#
#   91 VAL  MGY          88 PRO  HA          2.80    (#    531:25  Unique         2.04, 3.75 A)
 &rst
  ixpk= 531, nxpk= 25, iat=  -1,1287, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1336,1337,1338,1340,1341,1342,
 &end
#
#   65 ILE  HB           65 ILE  HA          3.50    (#    532:25  Unique         2.44, 2.51 A)
 &rst
  ixpk= 532, nxpk= 25, iat= 953, 951, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   65 ILE  HG1-         65 ILE  HA          3.50    (#    533:25  Unique         2.26, 2.72 A)
 &rst
  ixpk= 533, nxpk= 25, iat=  -1, 951, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 959, 960,
 &end
#
#   65 ILE  QG2          65 ILE  HA          3.50    (#    534:25  Unique         3.73, 3.96 A)
 &rst
  ixpk= 534, nxpk= 25, iat=  -1, 951, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 955, 956, 957,
 &end
#
#   55 ILE  QD1          21 PHE  HA          3.50    (#    535:25  Unique         2.28, 3.10 A)
 &rst
  ixpk= 535, nxpk= 25, iat=  -1, 329, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 826, 827, 828,
 &end
#
#   84 VAL  MGY          84 VAL  HA          3.50    (#    536:25  Unique         2.27, 3.48 A)
 &rst
  ixpk= 536, nxpk= 25, iat=  -1,1216, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1220,1221,1222,1224,1225,1226,
 &end
#
#   33 THR  MG2          33 THR  HA          2.80    (#    537:25  Unique         2.47, 3.17 A)
 &rst
  ixpk= 537, nxpk= 25, iat=  -1, 505, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 509, 510, 511,
 &end
#
#  130 ILE  QG2         130 ILE  HA          2.80    (#    538:25  Unique         2.28, 3.01 A)
 &rst
  ixpk= 538, nxpk= 25, iat=  -1,1972, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1976,1977,1978,
 &end
#
#   57 ILE  QG2          57 ILE  HA          2.80    (#    539:25  Unique         2.33, 3.05 A)
 &rst
  ixpk= 539, nxpk= 25, iat=  -1, 846, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 850, 851, 852,
 &end
#
#   61 THR  MG2          61 THR  HA          3.50    (#    540:25  Unique         2.29, 3.33 A)
 &rst
  ixpk= 540, nxpk= 25, iat=  -1, 900, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 904, 905, 906,
 &end
#
#   55 ILE  QG2          55 ILE  HA          2.80    (#    542:25  Unique         2.66, 3.38 A)
 &rst
  ixpk= 542, nxpk= 25, iat=  -1, 815, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 819, 820, 821,
 &end
#
#    0 AMB  25-2:543     55 ILE  HA          2.80    (#    543:25  Single Ambig)
 &rst
  ixpk= 543, nxpk= 25, iat=  -1, 815, r1= 0.00, r2= 1.80, r3= 3.87, r4= 4.62,
 igr1= 817, 796, 797, 798, 800, 801, 802,
 &end
#
#   75 VAL  MGY          75 VAL  HA          3.50    (#    544:25  Unique         2.48, 3.53 A)
 &rst
  ixpk= 544, nxpk= 25, iat=  -1,1100, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1104,1105,1106,1108,1109,1110,
 &end
#
#    0 AMB  25-2:545     95 ILE  HA          4.50    (#    545:25  Single Ambig)
 &rst
  ixpk= 545, nxpk= 25, iat=  -1,1394, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1398,1399,1400,1405,1406,1407,
 &end
#
#   91 VAL  MGY          91 VAL  HA          3.50    (#    546:25  Unique         2.35, 3.53 A)
 &rst
  ixpk= 546, nxpk= 25, iat=  -1,1332, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1336,1337,1338,1340,1341,1342,
 &end
#
#   91 VAL  MGX          91 VAL  HA          2.80    (#    547:25  Unique         2.35, 3.53 A)
 &rst
  ixpk= 547, nxpk= 25, iat=  -1,1332, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1336,1337,1338,1340,1341,1342,
 &end
#
#   55 ILE  HG1+         55 ILE  HA          3.50    (#    548:25  Unique         2.05, 3.01 A)
 &rst
  ixpk= 548, nxpk= 25, iat=  -1, 815, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 823, 824,
 &end
#
#   70 ALA  MB           90 TRP  HA          2.80    (#    549:25  Unique         2.26, 3.09 A)
 &rst
  ixpk= 549, nxpk= 25, iat=  -1,1308, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1035,1036,1037,
 &end
#
#   65 ILE  QG2          66 GLU  HA          3.50    (#    550:25  Unique         3.38, 4.32 A)
 &rst
  ixpk= 550, nxpk= 25, iat=  -1, 970, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 955, 956, 957,
 &end
#
#    0 AMB  25-2:551    126 LEU  HA          2.80    (#    551:25  Single Ambig)
 &rst
  ixpk= 551, nxpk= 25, iat=  -1,1902, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1909,1910,1911,1913,1914,1915,1909,1910,1911,1913,
      1914,1915,
 &end
#
#  109 LEU  HB-         109 LEU  HA          3.50    (#    552:25  Unique         2.40, 2.78 A)
 &rst
  ixpk= 552, nxpk= 25, iat=  -1,1608, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1610,1611,
 &end
#
#  109 LEU  MDX         109 LEU  HA          2.80    (#    553:25  Unique         2.17, 3.73 A)
 &rst
  ixpk= 553, nxpk= 25, iat=  -1,1608, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1615,1616,1617,1619,1620,1621,
 &end
#
#   29 LYS  HG+          29 LYS  HA          3.50    (#    554:25  Unique         2.64, 3.35 A)
 &rst
  ixpk= 554, nxpk= 25, iat=  -1, 438, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 443, 444,
 &end
#
#   25 LEU  MDX          25 LEU  HA          4.50    (#    555:25  Unique         2.25, 3.96 A)
 &rst
  ixpk= 555, nxpk= 25, iat=  -1, 395, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 402, 403, 404, 406, 407, 408,
 &end
#
#   77 ILE  QD1          77 ILE  HA          3.50    (#    556:25  Unique         2.17, 3.18 A)
 &rst
  ixpk= 556, nxpk= 25, iat=  -1,1132, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1143,1144,1145,
 &end
#
#   48 ALA  MB           48 ALA  HA          2.80    (#    557:25  Unique         2.41, 2.67 A)
 &rst
  ixpk= 557, nxpk= 25, iat=  -1, 718, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 720, 721, 722,
 &end
#
#   47 ILE  QG2          48 ALA  HA          3.50    (#    558:25  Unique         3.19, 4.34 A)
 &rst
  ixpk= 558, nxpk= 25, iat=  -1, 718, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 703, 704, 705,
 &end
#
#  127 ILE  QG2         128 ALA  HA          4.50    (#    559:25  Unique         3.40, 4.53 A)
 &rst
  ixpk= 559, nxpk= 25, iat=  -1,1940, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1925,1926,1927,
 &end
#
#  101 LEU  MDX         101 LEU  HA          3.50    (#    560:25  Unique         2.09, 3.86 A)
 &rst
  ixpk= 560, nxpk= 25, iat=  -1,1501, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1508,1509,1510,1512,1513,1514,
 &end
#
#   86 LEU  MDY          86 LEU  HA          3.50    (#    561:25  Unique         2.24, 4.25 A)
 &rst
  ixpk= 561, nxpk= 25, iat=  -1,1246, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1253,1254,1255,1257,1258,1259,
 &end
#
#    0 AMB  25-2:562      0 AMB  25-1:562    3.50    (#    562:25  Double Ambig)
 &rst
  ixpk= 562, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 468, 469, 443, 444,
 igr2= 414, 415, 414, 415,
 &end
#
#   30 ILE  HG1+         26 GLY  HA+         2.80    (#    563:25  Unique         2.16, 2.93 A)
 &rst
  ixpk= 563, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 468, 469,
 igr2= 414, 415,
 &end
#
#    0 AMB  25-2:564      0 AMB  25-1:564    2.80    (#    564:25  Double Ambig)
 &rst
  ixpk= 564, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1= 471, 472, 473,1932,1933,1934,
 igr2= 414, 415, 414, 415,
 &end
#
#  122 ARG  HG+         122 ARG  HD+         2.80    (#    567:25  Unique         2.26, 2.75 A)
 &rst
  ixpk= 567, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1838,1839,
 igr2=1841,1842,
 &end
#
#   30 ILE  HG1+         30 ILE  HB          3.50    (#    568:25  Unique         2.41, 2.74 A)
 &rst
  ixpk= 568, nxpk= 25, iat=  -1, 462, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 468, 469,
 &end
#
#   30 ILE  QG2          30 ILE  HB          2.80    (#    569:25  Unique         2.36, 2.64 A)
 &rst
  ixpk= 569, nxpk= 25, iat=  -1, 462, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 464, 465, 466,
 &end
#
#    0 AMB  25-2:570    126 LEU  HB-         2.80    (#    570:25  Single Ambig)
 &rst
  ixpk= 570, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1=1909,1910,1911,1913,1914,1915,1909,1910,1911,1913,
      1914,1915,
 igr2=1904,1905,
 &end
#
#    0 AMB  25-2:571      0 AMB  25-1:571    2.80    (#    571:25  Double Ambig)
 &rst
  ixpk= 571, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
 igr1= 402, 403, 404, 406, 407, 408,1861,1862,1863,1865,
      1866,1867,
 igr2= 397, 398, 397, 398,
 &end
#
#  127 ILE  QD1          25 LEU  HB+         3.50    (#    572:25  Unique         2.27, 2.78 A)
 &rst
  ixpk= 572, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1932,1933,1934,
 igr2= 397, 398,
 &end
#
#    0 AMB  25-2:573     95 ILE  HB          2.80    (#    573:25  Single Ambig)
 &rst
  ixpk= 573, nxpk= 25, iat=  -1,1396, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1398,1399,1400,1405,1406,1407,
 &end
#
#  130 ILE  QD1         130 ILE  HB          2.80    (#    574:25  Unique         2.61, 3.26 A)
 &rst
  ixpk= 574, nxpk= 25, iat=  -1,1974, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1983,1984,1985,
 &end
#
#  130 ILE  QG2         130 ILE  HB          2.80    (#    575:25  Unique         2.36, 2.65 A)
 &rst
  ixpk= 575, nxpk= 25, iat=  -1,1974, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1976,1977,1978,
 &end
#
#   57 ILE  QD1          57 ILE  HB          2.80    (#    576:25  Unique         2.37, 3.05 A)
 &rst
  ixpk= 576, nxpk= 25, iat=  -1, 848, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 857, 858, 859,
 &end
#
#   57 ILE  QG2          57 ILE  HB          2.80    (#    577:25  Unique         2.24, 2.65 A)
 &rst
  ixpk= 577, nxpk= 25, iat=  -1, 848, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 850, 851, 852,
 &end
#
#  127 ILE  QG2         127 ILE  HB          2.80    (#    578:25  Unique         2.46, 2.66 A)
 &rst
  ixpk= 578, nxpk= 25, iat=  -1,1923, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1925,1926,1927,
 &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= 5.34, r4= 6.09,
 igr1= 402, 403, 404, 406, 407, 408,1861,1862,1863,1865,
      1866,1867,
 igr2=1878,1879,1878,1879,
 &end
#
#    0 AMB  25-2:580    124 GLU  HG-         2.80    (#    580:25  Single Ambig)
 &rst
  ixpk= 580, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1= 402, 403, 404, 406, 407, 408,1861,1862,1863,1865,
      1866,1867,
 igr2=1878,1879,
 &end
#
#  101 LEU  MDX          14 ARG  HB-         5.50    (#    581:25  Unique         2.34, 6.61 A)
 &rst
  ixpk= 581, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1508,1509,1510,1512,1513,1514,
 igr2= 230, 231,
 &end
#
#   95 ILE  QD1          97 GLU  HG+         4.50    (#    582:25  Unique         2.31, 3.90 A)
 &rst
  ixpk= 582, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1405,1406,1407,
 igr2=1438,1439,
 &end
#
#    0 AMB  25-2:583      0 AMB  25-1:583    3.50    (#    583:25  Double Ambig)
 &rst
  ixpk= 583, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 850, 851, 852,1646,1647,1648,1650,1651,1652,
 igr2= 312, 313,1525,1526,
 &end
#
#   32 VAL  MGY          19 GLU  HG+         4.50    (#    584:25  Unique         4.21, 6.33 A)
 &rst
  ixpk= 584, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 493, 494, 495, 497, 498, 499,
 igr2= 312, 313,
 &end
#
#   70 ALA  MB           89 GLU  HG+         3.50    (#    585:25  Unique         2.24, 3.62 A)
 &rst
  ixpk= 585, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1035,1036,1037,
 igr2=1298,1299,
 &end
#
#    0 AMB  25-2:586     97 GLU  HG-         2.80    (#    586:25  Single Ambig)
 &rst
  ixpk= 586, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1405,1406,1407,1104,1105,1106,1108,1109,1110,
 igr2=1438,1439,
 &end
#
#    0 AMB  25-2:587      0 AMB  25-1:587    2.80    (#    587:25  Double Ambig)
 &rst
  ixpk= 587, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 850, 851, 852,1646,1647,1648,1650,1651,1652,
 igr2= 312, 313,1525,1526,
 &end
#
#   70 ALA  MB           89 GLU  HG-         3.50    (#    588:25  Unique         2.24, 3.62 A)
 &rst
  ixpk= 588, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1035,1036,1037,
 igr2=1298,1299,
 &end
#
#  126 LEU  MDY          97 GLU  HG-         3.50    (#    589:25  Unique         2.45, 5.23 A)
 &rst
  ixpk= 589, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1909,1910,1911,1913,1914,1915,
 igr2=1438,1439,
 &end
#
#    0 AMB  25-2:590     75 VAL  HB          4.50    (#    590:25  Single Ambig)
 &rst
  ixpk= 590, nxpk= 25, iat=  -1,1102, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=  71,  72,  73,  75,  76,  77,1104,1105,1106,1108,
      1109,1110,
 &end
#
#    4 VAL  MGX          75 VAL  HB          4.50    (#    591:25  Unique         2.16, 4.80 A)
 &rst
  ixpk= 591, nxpk= 25, iat=  -1,1102, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=  71,  72,  73,  75,  76,  77,
 &end
#
#   76 VAL  MGX          76 VAL  HB          2.80    (#    592:25  Unique         2.39, 2.68 A)
 &rst
  ixpk= 592, nxpk= 25, iat=  -1,1118, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1120,1121,1122,1124,1125,1126,
 &end
#
#    0 AMB  25-2:593      0 AMB  25-1:593    2.80    (#    593:25  Double Ambig)
 &rst
  ixpk= 593, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.28, r4= 6.03,
 igr1=1398,1399,1400,1104,1105,1106,1108,1109,1110, 464,
       465, 466,1976,1977,1978,
 igr2=1102, 440, 441,
 &end
#
#   32 VAL  MGY          32 VAL  HB          2.80    (#    594:25  Unique         2.40, 2.66 A)
 &rst
  ixpk= 594, nxpk= 25, iat=  -1, 491, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 493, 494, 495, 497, 498, 499,
 &end
#
#   32 VAL  MGY           4 VAL  HB          3.50    (#    595:25  Unique         2.24, 3.72 A)
 &rst
  ixpk= 595, nxpk= 25, iat=  -1,  69, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 493, 494, 495, 497, 498, 499,
 &end
#
#   32 VAL  MGX           4 VAL  HB          4.50    (#    596:25  Unique         2.24, 3.72 A)
 &rst
  ixpk= 596, nxpk= 25, iat=  -1,  69, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 493, 494, 495, 497, 498, 499,
 &end
#
#    4 VAL  MGY           4 VAL  HB          2.80    (#    597:25  Unique         2.28, 2.65 A)
 &rst
  ixpk= 597, 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    (#    598:25  Unique         2.28, 2.65 A)
 &rst
  ixpk= 598, 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
#
#   77 ILE  QD1          97 GLU  HB-         3.50    (#    599:25  Unique         2.08, 3.54 A)
 &rst
  ixpk= 599, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1143,1144,1145,
 igr2=1435,1436,
 &end
#
#  111 VAL  MGY         107 GLN  HG+         4.50    (#    600:25  Unique         2.25, 4.40 A)
 &rst
  ixpk= 600, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1646,1647,1648,1650,1651,1652,
 igr2=1585,1586,
 &end
#
#    0 AMB  25-2:601      0 AMB  25-1:601    2.80    (#    601:25  Double Ambig)
 &rst
  ixpk= 601, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
 igr1=1784,1785,1786,1788,1789,1790,1646,1647,1648,1650,
      1651,1652,
 igr2= 282, 283,1585,1586,
 &end
#
#  111 VAL  MGX         107 GLN  HG-         2.80    (#    602:25  Unique         2.25, 4.40 A)
 &rst
  ixpk= 602, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1646,1647,1648,1650,1651,1652,
 igr2=1585,1586,
 &end
#
#  111 VAL  MGX         107 GLN  HG+         3.50    (#    603:25  Unique         2.25, 4.40 A)
 &rst
  ixpk= 603, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1646,1647,1648,1650,1651,1652,
 igr2=1585,1586,
 &end
#
#    0 AMB  25-2:604      0 AMB  25-1:604    2.80    (#    604:25  Double Ambig)
 &rst
  ixpk= 604, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 464, 465, 466,1104,1105,1106,1108,1109,1110,
 igr2=  25,  26,  25,  26,
 &end
#
#  115 VAL  MGY         118 GLN  HG-         3.50    (#    605:25  Unique         3.77, 6.03 A)
 &rst
  ixpk= 605, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1720,1721,1722,1724,1725,1726,
 igr2=1768,1769,
 &end
#
#   45 THR  MG2          49 MET  HG+         3.50    (#    606:25  Unique         2.39, 4.05 A)
 &rst
  ixpk= 606, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 679, 680, 681,
 igr2= 733, 734,
 &end
#
#   17 MET  ME           50 MET  HG+         3.50    (#    607:25  Unique         2.02, 3.80 A)
 &rst
  ixpk= 607, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 289, 290, 291,
 igr2= 750, 751,
 &end
#
#    0 AMB  25-2:611      0 AMB  25-1:611    2.80    (#    611:25  Double Ambig)
 &rst
  ixpk= 611, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 265, 266,1549,1550,1552,1553,
 igr2= 630,1718,
 &end
#
#    0 AMB  25-2:612      0 AMB  25-1:612    2.80    (#    612:25  Double Ambig)
 &rst
  ixpk= 612, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=1720,1721,1722,1724,1725,1726,1720,1721,1722,1724,
      1725,1726, 632, 633, 634, 636, 637, 638,
 igr2=1718, 630,
 &end
#
#   16 GLN  HB-          16 GLN  HG+         2.80    (#    613:25  Unique         2.29, 2.75 A)
 &rst
  ixpk= 613, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 265, 266,
 igr2= 268, 269,
 &end
#
#   91 VAL  MGX          91 VAL  HB          2.80    (#    614:25  Unique         2.38, 2.65 A)
 &rst
  ixpk= 614, nxpk= 25, iat=  -1,1334, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1336,1337,1338,1340,1341,1342,
 &end
#
#   91 VAL  MGY          91 VAL  HB          2.80    (#    615:25  Unique         2.38, 2.65 A)
 &rst
  ixpk= 615, nxpk= 25, iat=  -1,1334, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1336,1337,1338,1340,1341,1342,
 &end
#
#  111 VAL  MGY         111 VAL  HB          2.80    (#    616:25  Unique         2.41, 2.68 A)
 &rst
  ixpk= 616, nxpk= 25, iat=  -1,1644, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1646,1647,1648,1650,1651,1652,
 &end
#
#  111 VAL  MGX         111 VAL  HB          2.80    (#    617:25  Unique         2.41, 2.68 A)
 &rst
  ixpk= 617, nxpk= 25, iat=  -1,1644, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1646,1647,1648,1650,1651,1652,
 &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= 4.76, r4= 5.51,
 igr1= 471, 472, 473,1932,1933,1934,
 igr2=1929,1930,1929,1930,
 &end
#
#   53 VAL  MGY          52 GLU  HB+         4.50    (#    620:25  Unique         2.26, 5.49 A)
 &rst
  ixpk= 620, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 796, 797, 798, 800, 801, 802,
 igr2= 779, 780,
 &end
#
#    0 AMB  25-2:621      0 AMB  25-1:621    2.80    (#    621:25  Double Ambig)
 &rst
  ixpk= 621, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
 igr1=1720,1721,1722,1724,1725,1726,1720,1721,1722,1724,
      1725,1726,
 igr2=1522,1523,1522,1523,
 &end
#
#    0 AMB  25-2:622      0 AMB  25-1:622    3.50    (#    622:25  Double Ambig)
 &rst
  ixpk= 622, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.24, r4= 6.99,
 igr1=1646,1647,1648,1650,1651,1652,1552,1553,
 igr2=1582,1583,1582,1583,
 &end
#
#  111 VAL  MGX         107 GLN  HB+         3.50    (#    623:25  Unique         2.34, 4.58 A)
 &rst
  ixpk= 623, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1646,1647,1648,1650,1651,1652,
 igr2=1582,1583,
 &end
#
#    0 AMB  25-2:624      0 AMB  25-1:624    3.50    (#    624:25  Double Ambig)
 &rst
  ixpk= 624, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.15, r4= 8.90,
 igr1=1909,1910,1911,1913,1914,1915,1909,1910,1911,1913,
      1914,1915, 493, 494, 495, 497, 498, 499, 468, 469,
      
 igr2=1958,1959,1958,1959, 367, 368, 446, 447,
 &end
#
#    0 AMB  25-2:625      0 AMB  25-1:625    2.80    (#    625:25  Double Ambig)
 &rst
  ixpk= 625, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.15, r4= 6.90,
 igr1=1925,1926,1927, 823, 824, 493, 494, 495, 497, 498,
       499,1976,1977,1978,
 igr2= 446, 447, 367, 368, 367, 368,1958,1959,
 &end
#
#    0 AMB  25-2:626      0 AMB  25-1:626    3.50    (#    626:25  Double Ambig)
 &rst
  ixpk= 626, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.77, r4= 6.52,
 igr1= 703, 704, 705,1801,1802,
 igr2= 764, 765,1875,1876,
 &end
#
#  111 VAL  MGX         107 GLN  HB-         2.80    (#    627:25  Unique         2.34, 4.58 A)
 &rst
  ixpk= 627, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1646,1647,1648,1650,1651,1652,
 igr2=1582,1583,
 &end
#
#   55 ILE  QD1          23 LYS  HD+         3.50    (#    628:25  Unique         3.80, 5.46 A)
 &rst
  ixpk= 628, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 826, 827, 828,
 igr2= 367, 368,
 &end
#
#   47 ILE  QG2          51 GLU  HB+         3.50    (#    629:25  Unique         2.93, 4.17 A)
 &rst
  ixpk= 629, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 703, 704, 705,
 igr2= 764, 765,
 &end
#
#    0 AMB  25-2:630      0 AMB  25-1:630    2.80    (#    630:25  Double Ambig)
 &rst
  ixpk= 630, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.99, r4= 5.74,
 igr1= 854, 855,1646,1647,1648,1650,1651,1652,
 igr2= 747, 748,1629,1630,
 &end
#
#   17 MET  ME           50 MET  HB+         4.50    (#    631:25  Unique         2.22, 4.00 A)
 &rst
  ixpk= 631, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 289, 290, 291,
 igr2= 747, 748,
 &end
#
#   55 ILE  HB           50 MET  HB-         2.80    (#    633:25  Unique         2.11, 2.80 A)
 &rst
  ixpk= 633, nxpk= 25, iat= 817,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 747, 748,
 &end
#
#   65 ILE  QG2          66 GLU  HB+         4.50    (#    634:25  Unique         3.86, 5.42 A)
 &rst
  ixpk= 634, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 955, 956, 957,
 igr2= 972, 973,
 &end
#
#    0 AMB  25-2:635    118 GLN  HB-         3.50    (#    635:25  Single Ambig)
 &rst
  ixpk= 635, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1508,1509,1510,1512,1513,1514,1720,1721,1722,1724,
      1725,1726,1720,1721,1722,1724,1725,1726,
 igr2=1765,1766,
 &end
#
#   25 LEU  MDY          25 LEU  HG          2.80    (#    636:25  Unique         2.38, 2.66 A)
 &rst
  ixpk= 636, nxpk= 25, iat=  -1, 400, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 402, 403, 404, 406, 407, 408,
 &end
#
#   70 ALA  MB           89 GLU  HB-         3.50    (#    638:25  Unique         2.16, 4.22 A)
 &rst
  ixpk= 638, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1035,1036,1037,
 igr2=1295,1296,
 &end
#
#   65 ILE  QG2          37 LEU  HG          3.50    (#    639:25  Unique         2.38, 3.62 A)
 &rst
  ixpk= 639, nxpk= 25, iat=  -1, 553, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 955, 956, 957,
 &end
#
#  109 LEU  MDY         109 LEU  HG          2.80    (#    640:25  Unique         2.39, 2.66 A)
 &rst
  ixpk= 640, nxpk= 25, iat=  -1,1613, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1615,1616,1617,1619,1620,1621,
 &end
#
#  109 LEU  MDX         109 LEU  HG          2.80    (#    641:25  Unique         2.39, 2.66 A)
 &rst
  ixpk= 641, nxpk= 25, iat=  -1,1613, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1615,1616,1617,1619,1620,1621,
 &end
#
#  109 LEU  MDY          49 MET  ME          2.80    (#    642:25  Unique         2.34, 4.61 A)
 &rst
  ixpk= 642, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1615,1616,1617,1619,1620,1621,
 igr2= 737, 738, 739,
 &end
#
#  109 LEU  MDX          49 MET  ME          2.80    (#    643:25  Unique         2.34, 4.61 A)
 &rst
  ixpk= 643, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1615,1616,1617,1619,1620,1621,
 igr2= 737, 738, 739,
 &end
#
#   45 THR  MG2          49 MET  ME          2.80    (#    644:25  Unique         2.40, 4.12 A)
 &rst
  ixpk= 644, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 679, 680, 681,
 igr2= 737, 738, 739,
 &end
#
#  123 VAL  MGY          22 ALA  MB          2.80    (#    645:25  Unique         2.29, 4.62 A)
 &rst
  ixpk= 645, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1861,1862,1863,1865,1866,1867,
 igr2= 351, 352, 353,
 &end
#
#    0 AMB  25-2:646     22 ALA  MB          2.80    (#    646:25  Single Ambig)
 &rst
  ixpk= 646, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1932,1933,1934, 471, 472, 473,
 igr2= 351, 352, 353,
 &end
#
#   42 VAL  MGY          46 ALA  MB          2.80    (#    647:25  Unique         2.79, 5.71 A)
 &rst
  ixpk= 647, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 632, 633, 634, 636, 637, 638,
 igr2= 691, 692, 693,
 &end
#
#    0 AMB  25-2:648     46 ALA  MB          4.50    (#    648:25  Single Ambig)
 &rst
  ixpk= 648, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.07, r4= 7.82,
 igr1= 857, 858, 859, 707, 708,
 igr2= 691, 692, 693,
 &end
#
#   30 ILE  QG2           1 MET  ME          4.50    (#    649:25  Unique         5.10, 6.67 A)
 &rst
  ixpk= 649, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 464, 465, 466,
 igr2=  15,  16,  17,
 &end
#
#    0 AMB  25-2:650     50 MET  ME          2.80    (#    650:25  Single Ambig)
 &rst
  ixpk= 650, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1549,1550, 265, 266,
 igr2= 754, 755, 756,
 &end
#
#    0 AMB  25-2:651     50 MET  ME          3.50    (#    651:25  Single Ambig)
 &rst
  ixpk= 651, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1720,1721,1722,1724,1725,1726,1720,1721,1722,1724,
      1725,1726,
 igr2= 754, 755, 756,
 &end
#
#    0 AMB  25-2:652      0 AMB  25-1:652    2.80    (#    652:25  Double Ambig)
 &rst
  ixpk= 652, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1961,1962, 370, 371,
 igr2=1958,1959, 367, 368,
 &end
#
#  120 LYS  HE+         120 LYS  HD-         2.80    (#    653:25  Unique         2.34, 2.70 A)
 &rst
  ixpk= 653, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1807,1808,
 igr2=1804,1805,
 &end
#
#  120 LYS  HE+         120 LYS  HD+         3.50    (#    654:25  Unique         2.34, 2.70 A)
 &rst
  ixpk= 654, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1807,1808,
 igr2=1804,1805,
 &end
#
#    2 LYS  HE+           2 LYS  HD+         2.80    (#    655:25  Unique         2.29, 2.63 A)
 &rst
  ixpk= 655, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=  34,  35,
 igr2=  31,  32,
 &end
#
#    2 LYS  HE+           2 LYS  HD-         3.50    (#    656:25  Unique         2.29, 2.63 A)
 &rst
  ixpk= 656, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=  34,  35,
 igr2=  31,  32,
 &end
#
#    3 LYS  HE+           3 LYS  HD+         2.80    (#    657:25  Unique         2.29, 2.76 A)
 &rst
  ixpk= 657, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=  56,  57,
 igr2=  53,  54,
 &end
#
#  122 ARG  HA          122 ARG  HB+         3.50    (#    659:25  Unique         2.36, 2.74 A)
 &rst
  ixpk= 659, nxpk= 25, iat=1833,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1835,1836,
 &end
#
#    2 LYS  HE+           2 LYS  HG+         3.50    (#    662:25  Unique         2.22, 3.23 A)
 &rst
  ixpk= 662, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=  34,  35,
 igr2=  28,  29,
 &end
#
#   21 PHE  HB+          25 LEU  MDY         5.50    (#    663:25  Unique         2.21, 4.99 A)
 &rst
  ixpk= 663, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 331, 332,
 igr2= 402, 403, 404, 406, 407, 408,
 &end
#
#  120 LYS  HE-          25 LEU  MDY         3.50    (#    664:25  Unique         2.48, 4.74 A)
 &rst
  ixpk= 664, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1807,1808,
 igr2= 402, 403, 404, 406, 407, 408,
 &end
#
#    0 AMB  25-2:666      0 AMB  25-1:666    4.50    (#    666:25  Double Ambig)
 &rst
  ixpk= 666, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1=1234,1235,1796,
 igr2= 555, 556, 557, 559, 560, 561,1801,1802,
 &end
#
#  129 LYS  HE+         129 LYS  HG+         3.50    (#    667:25  Unique         2.34, 3.13 A)
 &rst
  ixpk= 667, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1961,1962,
 igr2=1955,1956,
 &end
#
#    0 AMB  25-2:668      0 AMB  25-1:668    2.80    (#    668:25  Double Ambig)
 &rst
  ixpk= 668, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.99, r4= 5.74,
 igr1= 331, 332, 449, 450,
 igr2=1861,1862,1863,1865,1866,1867, 443, 444,
 &end
#
#  120 LYS  HA          123 VAL  MGX         3.50    (#    669:25  Unique         2.19, 4.78 A)
 &rst
  ixpk= 669, nxpk= 25, iat=1796,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1861,1862,1863,1865,1866,1867,
 &end
#
#  119 VAL  HA          119 VAL  MGY         2.80    (#    670:25  Unique         2.35, 3.15 A)
 &rst
  ixpk= 670, nxpk= 25, iat=1780,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1784,1785,1786,1788,1789,1790,
 &end
#
#  119 VAL  HA          119 VAL  MGX         2.80    (#    671:25  Unique         2.35, 3.15 A)
 &rst
  ixpk= 671, nxpk= 25, iat=1780,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1784,1785,1786,1788,1789,1790,
 &end
#
#    0 AMB  25-2:672      0 AMB  25-1:672    3.50    (#    672:25  Double Ambig)
 &rst
  ixpk= 672, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
 igr1= 331, 332,1961,1962,
 igr2=1784,1785,1786,1788,1789,1790,1909,1910,1911,1913,
      1914,1915,
 &end
#
#  120 LYS  HE-          25 LEU  MDX         4.50    (#    673:25  Unique         2.48, 4.74 A)
 &rst
  ixpk= 673, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1807,1808,
 igr2= 402, 403, 404, 406, 407, 408,
 &end
#
#   21 PHE  HB+         123 VAL  MGY         3.50    (#    674:25  Unique         2.28, 3.90 A)
 &rst
  ixpk= 674, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 331, 332,
 igr2=1861,1862,1863,1865,1866,1867,
 &end
#
#  116 ARG  HD+          53 VAL  MGY         4.50    (#    675:25  Unique         2.11, 3.90 A)
 &rst
  ixpk= 675, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1740,1741,
 igr2= 796, 797, 798, 800, 801, 802,
 &end
#
#    0 AMB  25-2:676     53 VAL  MGY         2.80    (#    676:25  Single Ambig)
 &rst
  ixpk= 676, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1740,1741, 794,
 igr2= 796, 797, 798, 800, 801, 802,
 &end
#
#   90 TRP  HB+          76 VAL  MGX         3.50    (#    677:25  Unique         2.07, 4.67 A)
 &rst
  ixpk= 677, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1310,1311,
 igr2=1120,1121,1122,1124,1125,1126,
 &end
#
#    3 LYS  HE+          31 ALA  MB          3.50    (#    678:25  Unique         3.93, 5.10 A)
 &rst
  ixpk= 678, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=  56,  57,
 igr2= 481, 482, 483,
 &end
#
#    0 AMB  25-2:679     76 VAL  MGY         3.50    (#    679:25  Single Ambig)
 &rst
  ixpk= 679, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1=  85,  86,1069,1070,
 igr2=1120,1121,1122,1124,1125,1126,
 &end
#
#   74 ASP  HB-          75 VAL  MGX         3.50    (#    680:25  Unique         2.33, 5.60 A)
 &rst
  ixpk= 680, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1090,1091,
 igr2=1104,1105,1106,1108,1109,1110,
 &end
#
#   74 ASP  HB+          75 VAL  MGX         2.80    (#    681:25  Unique         2.33, 5.60 A)
 &rst
  ixpk= 681, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1090,1091,
 igr2=1104,1105,1106,1108,1109,1110,
 &end
#
#    0 AMB  25-2:682     53 VAL  MGX         5.50    (#    682:25  Single Ambig)
 &rst
  ixpk= 682, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=1740,1741, 794,
 igr2= 796, 797, 798, 800, 801, 802,
 &end
#
#  116 ARG  HD+          53 VAL  MGX         3.50    (#    683:25  Unique         2.11, 3.90 A)
 &rst
  ixpk= 683, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1740,1741,
 igr2= 796, 797, 798, 800, 801, 802,
 &end
#
#   20 GLY  HA-          57 ILE  QG2         3.50    (#    684:25  Unique         2.37, 3.30 A)
 &rst
  ixpk= 684, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 322, 323,
 igr2= 850, 851, 852,
 &end
#
#   17 MET  HG+          46 ALA  MB          5.50    (#    685:25  Unique         3.74, 5.90 A)
 &rst
  ixpk= 685, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 285, 286,
 igr2= 691, 692, 693,
 &end
#
#    0 AMB  25-2:686      0 AMB  25-1:686    2.80    (#    686:25  Double Ambig)
 &rst
  ixpk= 686, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 699,1921,
 igr2= 703, 704, 705,1925,1926,1927,
 &end
#
#    0 AMB  25-2:687      0 AMB  25-1:687    3.50    (#    687:25  Double Ambig)
 &rst
  ixpk= 687, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 449, 450,  34,  35,
 igr2=1925,1926,1927,1976,1977,1978,
 &end
#
#   68 PHE  HB+           5 MET  ME          4.50    (#    688:25  Unique         2.74, 4.26 A)
 &rst
  ixpk= 688, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1001,1002,
 igr2=  92,  93,  94,
 &end
#
#   35 SER  HB-           5 MET  ME          4.50    (#    689:25  Unique         2.51, 4.60 A)
 &rst
  ixpk= 689, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 532, 533,
 igr2=  92,  93,  94,
 &end
#
#   68 PHE  HB-           5 MET  ME          4.50    (#    690:25  Unique         2.74, 4.26 A)
 &rst
  ixpk= 690, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1001,1002,
 igr2=  92,  93,  94,
 &end
#
#    0 AMB  25-2:691     17 MET  ME          4.50    (#    691:25  Single Ambig)
 &rst
  ixpk= 691, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 285, 286, 322, 323,
 igr2= 289, 290, 291,
 &end
#
#   50 MET  HG-          17 MET  ME          3.50    (#    692:25  Unique         2.02, 3.80 A)
 &rst
  ixpk= 692, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 750, 751,
 igr2= 289, 290, 291,
 &end
#
#   47 ILE  HA           57 ILE  QD1         3.50    (#    693:25  Unique         2.04, 3.44 A)
 &rst
  ixpk= 693, nxpk= 25, iat= 699,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 857, 858, 859,
 &end
#
#    0 AMB  25-2:695    120 LYS  HG-         2.80    (#    695:25  Single Ambig)
 &rst
  ixpk= 695, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1798,1799,1804,1805,
 igr2=1801,1802,
 &end
#
#   91 VAL  HB           91 VAL  MGX         2.80    (#    699:25  Unique         2.38, 2.65 A)
 &rst
  ixpk= 699, nxpk= 25, iat=1334,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1336,1337,1338,1340,1341,1342,
 &end
#
#   75 VAL  HB            4 VAL  MGX         4.50    (#    701:25  Unique         2.16, 4.80 A)
 &rst
  ixpk= 701, nxpk= 25, iat=1102,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=  71,  72,  73,  75,  76,  77,
 &end
#
#    0 AMB  25-2:702      4 VAL  MGX         2.80    (#    702:25  Single Ambig)
 &rst
  ixpk= 702, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 462,  69,
 igr2=  71,  72,  73,  75,  76,  77,
 &end
#
#   30 ILE  HG1-          4 VAL  MGX         5.50    (#    703:25  Unique         2.55, 5.28 A)
 &rst
  ixpk= 703, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 468, 469,
 igr2=  71,  72,  73,  75,  76,  77,
 &end
#
#    0 AMB  25-2:704      4 VAL  MGX         5.50    (#    704:25  Single Ambig)
 &rst
  ixpk= 704, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=12.21, r4=12.96,
 igr1= 468, 469, 493, 494, 495, 497, 498, 499,1909,1910,
      1911,1913,1914,1915,1909,1910,1911,1913,1914,1915,
      
 igr2=  71,  72,  73,  75,  76,  77,
 &end
#
#    0 AMB  25-2:705      4 VAL  MGX         2.80    (#    705:25  Single Ambig)
 &rst
  ixpk= 705, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.71, r4= 6.46,
 igr1=1104,1105,1106,1108,1109,1110, 493, 494, 495, 497,
       498, 499,
 igr2=  71,  72,  73,  75,  76,  77,
 &end
#
#   89 GLU  HG+          70 ALA  MB          3.50    (#    707:25  Unique         2.24, 3.62 A)
 &rst
  ixpk= 707, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1298,1299,
 igr2=1035,1036,1037,
 &end
#
#    0 AMB  25-2:708     70 ALA  MB          3.50    (#    708:25  Single Ambig)
 &rst
  ixpk= 708, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1033,1367,1368,
 igr2=1035,1036,1037,
 &end
#
#   77 ILE  HB           77 ILE  QG2         3.50    (#    709:25  Unique         2.31, 2.63 A)
 &rst
  ixpk= 709, nxpk= 25, iat=1134,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1136,1137,1138,
 &end
#
#   79 LEU  HG           77 ILE  QG2         2.80    (#    710:25  Unique         2.20, 3.63 A)
 &rst
  ixpk= 710, nxpk= 25, iat=1167,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1136,1137,1138,
 &end
#
#    0 AMB  25-2:711     65 ILE  QD1         3.50    (#    711:25  Single Ambig)
 &rst
  ixpk= 711, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 959, 960, 555, 556, 557, 559, 560, 561,
 igr2= 962, 963, 964,
 &end
#
#    0 AMB  25-2:712     65 ILE  QD1         2.80    (#    712:25  Single Ambig)
 &rst
  ixpk= 712, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.85, r4= 5.60,
 igr1= 955, 956, 957,1253,1254,1255,1257,1258,1259,
 igr2= 962, 963, 964,
 &end
#
#    0 AMB  25-2:713     77 ILE  QD1         2.80    (#    713:25  Single Ambig)
 &rst
  ixpk= 713, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=1909,1910,1911,1913,1914,1915,1909,1910,1911,1913,
      1914,1915,
 igr2=1143,1144,1145,
 &end
#
#    0 AMB  25-2:714     77 ILE  QD1         2.80    (#    714:25  Single Ambig)
 &rst
  ixpk= 714, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1=1104,1105,1106,1108,1109,1110,1140,1141,
 igr2=1143,1144,1145,
 &end
#
#  122 ARG  HG-         122 ARG  HB+         3.50    (#    716:25  Unique         2.30, 2.76 A)
 &rst
  ixpk= 716, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1838,1839,
 igr2=1835,1836,
 &end
#
#   65 ILE  QD1           7 VAL  MGY         3.50    (#    717:25  Unique         2.26, 4.22 A)
 &rst
  ixpk= 717, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 962, 963, 964,
 igr2= 124, 125, 126, 128, 129, 130,
 &end
#
#   65 ILE  QD1           7 VAL  MGX         3.50    (#    718:25  Unique         2.26, 4.22 A)
 &rst
  ixpk= 718, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 962, 963, 964,
 igr2= 124, 125, 126, 128, 129, 130,
 &end
#
#   65 ILE  QD1          65 ILE  QG2         2.80    (#    719:25  Unique         2.27, 3.84 A)
 &rst
  ixpk= 719, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 962, 963, 964,
 igr2= 955, 956, 957,
 &end
#
#   77 ILE  QG2          77 ILE  QD1         3.50    (#    720:25  Unique         2.34, 3.73 A)
 &rst
  ixpk= 720, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1136,1137,1138,
 igr2=1143,1144,1145,
 &end
#
#    1 MET  HB-           1 MET  HA          2.80    (#    721:25  Unique         2.30, 2.55 A)
 &rst
  ixpk= 721, 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    (#    722:25  Unique         2.30, 2.55 A)
 &rst
  ixpk= 722, nxpk= 25, iat=  -1,   6, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=   8,   9,
 &end
#
#   72 ASP  HB-          72 ASP  HA          2.80    (#    723:25  Unique         2.50, 2.77 A)
 &rst
  ixpk= 723, nxpk= 25, iat=  -1,1055, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1057,1058,
 &end
#
#    2 LYS  HN            1 MET  HB+         4.50    (#    724:25  Unique         2.40, 3.57 A)
 &rst
  ixpk= 724, nxpk= 25, iat=  21,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=   8,   9,
 &end
#
#    2 LYS  HN            1 MET  HB-         3.50    (#    725:25  Unique         2.40, 3.57 A)
 &rst
  ixpk= 725, nxpk= 25, iat=  21,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=   8,   9,
 &end
#
#    1 MET  HN            1 MET  HB-         5.50    (#    726:25  Unique         2.40, 3.29 A)
 &rst
  ixpk= 726, nxpk= 25, iat=   2,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=   8,   9,
 &end
#
#    1 MET  HN            1 MET  HB+         5.50    (#    727:25  Unique         2.40, 3.29 A)
 &rst
  ixpk= 727, nxpk= 25, iat=   2,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=   8,   9,
 &end
#
#   30 ILE  HA            1 MET  HB+         5.50    (#    728:25  Unique         2.60, 3.91 A)
 &rst
  ixpk= 728, nxpk= 25, iat= 460,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=   8,   9,
 &end
#
#    1 MET  HG+           1 MET  HB+         2.80    (#    730:25  Unique         2.29, 2.74 A)
 &rst
  ixpk= 730, 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    (#    731:25  Unique         2.29, 2.74 A)
 &rst
  ixpk= 731, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=  11,  12,
 igr2=   8,   9,
 &end
#
#   31 ALA  MB            1 MET  HB+         4.50    (#    732:25  Unique         2.67, 5.55 A)
 &rst
  ixpk= 732, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 481, 482, 483,
 igr2=   8,   9,
 &end
#
#    1 MET  HB-           1 MET  HG+         2.80    (#    733:25  Unique         2.29, 2.74 A)
 &rst
  ixpk= 733, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=   8,   9,
 igr2=  11,  12,
 &end
#
#    1 MET  HB-           1 MET  HG-         2.80    (#    734:25  Unique         2.29, 2.74 A)
 &rst
  ixpk= 734, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=   8,   9,
 igr2=  11,  12,
 &end
#
#   31 ALA  MB            1 MET  HG+         4.50    (#    735:25  Unique         2.65, 4.17 A)
 &rst
  ixpk= 735, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 481, 482, 483,
 igr2=  11,  12,
 &end
#
#   30 ILE  HA            1 MET  HG+         4.50    (#    736:25  Unique         2.19, 3.68 A)
 &rst
  ixpk= 736, nxpk= 25, iat= 460,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  11,  12,
 &end
#
#   30 ILE  HA            1 MET  HG-         4.50    (#    737:25  Unique         2.19, 3.68 A)
 &rst
  ixpk= 737, nxpk= 25, iat= 460,  -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    (#    738:25  Unique         3.17, 4.06 A)
 &rst
  ixpk= 738, 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    (#    739:25  Unique         3.17, 4.06 A)
 &rst
  ixpk= 739, 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    (#    740:25  Unique         2.79, 4.04 A)
 &rst
  ixpk= 740, nxpk= 25, iat= 477,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  11,  12,
 &end
#
#    0 AMB  25-2:741      0 AMB  25-1:741    3.50    (#    741:25  Double Ambig)
 &rst
  ixpk= 741, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 936, 937,1278,1279,
 igr2= 942, 943,1284,1285,
 &end
#
#    0 AMB  25-2:742      0 AMB  25-1:742    2.80    (#    742:25  Double Ambig)
 &rst
  ixpk= 742, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.11, r4= 4.86,
 igr1=  25,  26,1942,1943,1944,
 igr2=  23,1888,
 &end
#
#  129 LYS  HE+         125 ASN  HA          5.50    (#    743:25  Unique         4.32, 5.90 A)
 &rst
  ixpk= 743, nxpk= 25, iat=  -1,1888, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1961,1962,
 &end
#
#    3 LYS  HE+           2 LYS  HA          5.50    (#    744:25  Unique         5.72, 6.29 A)
 &rst
  ixpk= 744, nxpk= 25, iat=  -1,  23, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  56,  57,
 &end
#
#    0 AMB  25-2:745    125 ASN  HA          5.50    (#    745:25  Single Ambig)
 &rst
  ixpk= 745, nxpk= 25, iat=  -1,1888, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1873,1857,
 &end
#
#  125 ASN  HD2-        125 ASN  HA          5.50    (#    746:25  Unique         2.61, 3.51 A)
 &rst
  ixpk= 746, nxpk= 25, iat=  -1,1888, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1895,1896,
 &end
#
#   97 GLU  HN           77 ILE  HA          3.50    (#    747:25  Unique         2.30, 2.61 A)
 &rst
  ixpk= 747, nxpk= 25, iat=1431,1132, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:748     77 ILE  HA          4.50    (#    748:25  Single Ambig)
 &rst
  ixpk= 748, nxpk= 25, iat=  -1,1132, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1130,1160,
 &end
#
#    3 LYS  HN            2 LYS  HA          2.80    (#    749:25  Unique         2.19, 2.27 A)
 &rst
  ixpk= 749, nxpk= 25, iat=  43,  23, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    2 LYS  HN            2 LYS  HB-         4.50    (#    750:25  Unique         2.82, 3.34 A)
 &rst
  ixpk= 750, nxpk= 25, iat=  21,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  25,  26,
 &end
#
#    3 LYS  HN            2 LYS  HB+         5.50    (#    751:25  Unique         3.11, 3.75 A)
 &rst
  ixpk= 751, nxpk= 25, iat=  43,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  25,  26,
 &end
#
#    3 LYS  HN            2 LYS  HB-         4.50    (#    752:25  Unique         3.11, 3.75 A)
 &rst
  ixpk= 752, nxpk= 25, iat=  43,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  25,  26,
 &end
#
#    0 AMB  25-2:753      2 LYS  HB-         5.50    (#    753:25  Single Ambig)
 &rst
  ixpk= 753, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 460,  45,
 igr2=  25,  26,
 &end
#
#    2 LYS  HE+           2 LYS  HB+         5.50    (#    754:25  Unique         3.99, 4.56 A)
 &rst
  ixpk= 754, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=  34,  35,
 igr2=  25,  26,
 &end
#
#    2 LYS  HE+           2 LYS  HB-         5.50    (#    755:25  Unique         3.99, 4.56 A)
 &rst
  ixpk= 755, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=  34,  35,
 igr2=  25,  26,
 &end
#
#   74 ASP  HB-           2 LYS  HB-         5.50    (#    756:25  Unique         2.21, 3.51 A)
 &rst
  ixpk= 756, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1090,1091,
 igr2=  25,  26,
 &end
#
#    0 AMB  25-2:759      2 LYS  HB-         3.50    (#    759:25  Single Ambig)
 &rst
  ixpk= 759, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 464, 465, 466,1104,1105,1106,1108,1109,1110,
 igr2=  25,  26,
 &end
#
#    0 AMB  25-2:760      2 LYS  HB-         3.50    (#    760:25  Single Ambig)
 &rst
  ixpk= 760, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1983,1984,1985,  71,  72,  73,  75,  76,  77,
 igr2=  25,  26,
 &end
#
#    0 AMB  25-2:761      0 AMB  25-1:761    3.50    (#    761:25  Double Ambig)
 &rst
  ixpk= 761, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1983,1984,1985,  71,  72,  73,  75,  76,  77,
 igr2=  25,  26,  25,  26,
 &end
#
#    0 AMB  25-2:762      0 AMB  25-1:762    3.50    (#    762:25  Double Ambig)
 &rst
  ixpk= 762, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=  23,   6,
 igr2=  28,  29,  28,  29,
 &end
#
#    0 AMB  25-2:763      2 LYS  HG-         3.50    (#    763:25  Single Ambig)
 &rst
  ixpk= 763, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=  23,   6,
 igr2=  28,  29,
 &end
#
#    2 LYS  HN            2 LYS  HD+         5.50    (#    764:25  Unique         4.06, 4.46 A)
 &rst
  ixpk= 764, nxpk= 25, iat=  21,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  31,  32,
 &end
#
#    2 LYS  HN            2 LYS  HD-         5.50    (#    765:25  Unique         4.06, 4.46 A)
 &rst
  ixpk= 765, nxpk= 25, iat=  21,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  31,  32,
 &end
#
#    0 AMB  25-2:767      0 AMB  25-1:767    4.50    (#    767:25  Double Ambig)
 &rst
  ixpk= 767, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=  23,   6,
 igr2=  31,  32,  31,  32,
 &end
#
#    2 LYS  HA            2 LYS  HD-         4.50    (#    768:25  Unique         4.49, 4.64 A)
 &rst
  ixpk= 768, nxpk= 25, iat=  23,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  31,  32,
 &end
#
#  130 ILE  QD1           2 LYS  HD+         4.50    (#    769:25  Unique         2.31, 3.87 A)
 &rst
  ixpk= 769, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1983,1984,1985,
 igr2=  31,  32,
 &end
#
#  130 ILE  QD1           2 LYS  HD-         4.50    (#    770:25  Unique         2.31, 3.87 A)
 &rst
  ixpk= 770, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1983,1984,1985,
 igr2=  31,  32,
 &end
#
#   30 ILE  HG1+          2 LYS  HD+         5.50    (#    771:25  Unique         5.52, 6.79 A)
 &rst
  ixpk= 771, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 468, 469,
 igr2=  31,  32,
 &end
#
#   69 ASN  HN           68 PHE  HB-         4.50    (#    772:25  Unique         2.13, 2.90 A)
 &rst
  ixpk= 772, nxpk= 25, iat=1017,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1001,1002,
 &end
#
#   69 ASN  HN           68 PHE  HB+         4.50    (#    773:25  Unique         2.13, 2.90 A)
 &rst
  ixpk= 773, nxpk= 25, iat=1017,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1001,1002,
 &end
#
#   96 PHE  HN           96 PHE  HB+         4.50    (#    774:25  Unique         2.40, 3.14 A)
 &rst
  ixpk= 774, nxpk= 25, iat=1411,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1415,1416,
 &end
#
#   68 PHE  HN           68 PHE  HB+         5.50    (#    775:25  Unique         2.32, 3.11 A)
 &rst
  ixpk= 775, nxpk= 25, iat= 997,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1001,1002,
 &end
#
#   68 PHE  HN           68 PHE  HB-         4.50    (#    776:25  Unique         2.32, 3.11 A)
 &rst
  ixpk= 776, nxpk= 25, iat= 997,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1001,1002,
 &end
#
#   73 TYR  HE           68 PHE  HB-         5.50    (#    777:25  Unique         2.43, 5.72 A)
 &rst
  ixpk= 777, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1075,1080,
 igr2=1001,1002,
 &end
#
#   73 TYR  HE           68 PHE  HB+         4.50    (#    778:25  Unique         2.43, 5.72 A)
 &rst
  ixpk= 778, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1075,1080,
 igr2=1001,1002,
 &end
#
#   96 PHE  HA           96 PHE  HB+         3.50    (#    781:25  Unique         2.16, 2.65 A)
 &rst
  ixpk= 781, nxpk= 25, iat=1413,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1415,1416,
 &end
#
#   68 PHE  HA           68 PHE  HB+         3.50    (#    783:25  Unique         2.22, 2.77 A)
 &rst
  ixpk= 783, nxpk= 25, iat= 999,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1001,1002,
 &end
#
#   91 VAL  HA           96 PHE  HB+         4.50    (#    785:25  Unique         2.96, 4.10 A)
 &rst
  ixpk= 785, nxpk= 25, iat=1332,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1415,1416,
 &end
#
#    0 AMB  25-2:789      0 AMB  25-1:789    5.50    (#    789:25  Double Ambig)
 &rst
  ixpk= 789, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1= 509, 510, 511,1398,1399,1400,
 igr2=1001,1002,1415,1416,
 &end
#
#    0 AMB  25-2:790      0 AMB  25-1:790    4.50    (#    790:25  Double Ambig)
 &rst
  ixpk= 790, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=  92,  93,  94, 959, 960,
 igr2=1001,1002,1001,1002,
 &end
#
#    0 AMB  25-2:791     68 PHE  HB-         4.50    (#    791:25  Single Ambig)
 &rst
  ixpk= 791, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=  92,  93,  94, 959, 960,
 igr2=1001,1002,
 &end
#
#   30 ILE  HG1+          2 LYS  HE+         5.50    (#    792:25  Unique         5.84, 7.01 A)
 &rst
  ixpk= 792, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 468, 469,
 igr2=  34,  35,
 &end
#
#   31 ALA  MB            3 LYS  HA          3.50    (#    793:25  Unique         2.21, 3.45 A)
 &rst
  ixpk= 793, nxpk= 25, iat=  -1,  45, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 481, 482, 483,
 &end
#
#    3 LYS  HG+           3 LYS  HA          3.50    (#    794:25  Unique         2.40, 2.94 A)
 &rst
  ixpk= 794, nxpk= 25, iat=  -1,  45, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=  50,  51,
 &end
#
#    3 LYS  HB+           3 LYS  HA          2.80    (#    795:25  Unique         2.28, 2.69 A)
 &rst
  ixpk= 795, nxpk= 25, iat=  -1,  45, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=  47,  48,
 &end
#
#   31 ALA  HN            3 LYS  HA          3.50    (#    796:25  Unique         2.45, 2.65 A)
 &rst
  ixpk= 796, nxpk= 25, iat= 477,  45, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    4 VAL  HN            3 LYS  HA          2.80    (#    797:25  Unique         2.12, 2.19 A)
 &rst
  ixpk= 797, nxpk= 25, iat=  65,  45, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    3 LYS  HN            3 LYS  HA          5.50    (#    798:25  Unique         2.95, 2.97 A)
 &rst
  ixpk= 798, nxpk= 25, iat=  43,  45, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    3 LYS  HN            3 LYS  HB+         3.50    (#    799:25  Unique         2.54, 3.20 A)
 &rst
  ixpk= 799, nxpk= 25, iat=  43,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  47,  48,
 &end
#
#    4 VAL  HN            3 LYS  HB+         4.50    (#    800:25  Unique         2.68, 3.43 A)
 &rst
  ixpk= 800, nxpk= 25, iat=  65,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  47,  48,
 &end
#
#   16 GLN  HN           16 GLN  HB+         3.50    (#    801:25  Unique         2.15, 3.07 A)
 &rst
  ixpk= 801, nxpk= 25, iat= 261,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 265, 266,
 &end
#
#   74 ASP  HN            3 LYS  HB+         4.50    (#    802:25  Unique         2.63, 3.85 A)
 &rst
  ixpk= 802, nxpk= 25, iat=1086,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  47,  48,
 &end
#
#   73 TYR  HD            3 LYS  HB+         4.50    (#    803:25  Unique         2.44, 4.10 A)
 &rst
  ixpk= 803, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1073,1082,
 igr2=  47,  48,
 &end
#
#   16 GLN  HE2+         16 GLN  HB+         4.50    (#    804:25  Unique         2.21, 3.69 A)
 &rst
  ixpk= 804, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 273, 274,
 igr2= 265, 266,
 &end
#
#    0 AMB  25-2:807      0 AMB  25-1:807    5.50    (#    807:25  Double Ambig)
 &rst
  ixpk= 807, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1= 850, 851, 852,  71,  72,  73,  75,  76,  77,
 igr2= 265, 266,  47,  48,
 &end
#
#    3 LYS  HG-           3 LYS  HB+         2.80    (#    808:25  Unique         2.37, 2.76 A)
 &rst
  ixpk= 808, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=  50,  51,
 igr2=  47,  48,
 &end
#
#   57 ILE  QG2          16 GLN  HB-         5.50    (#    811:25  Unique         3.76, 6.45 A)
 &rst
  ixpk= 811, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 850, 851, 852,
 igr2= 265, 266,
 &end
#
#    3 LYS  HE+           3 LYS  HB+         4.50    (#    814:25  Unique         2.16, 4.33 A)
 &rst
  ixpk= 814, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=  56,  57,
 igr2=  47,  48,
 &end
#
#   16 GLN  HA           16 GLN  HB-         3.50    (#    816:25  Unique         2.23, 2.57 A)
 &rst
  ixpk= 816, nxpk= 25, iat= 263,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 265, 266,
 &end
#
#   16 GLN  HN           16 GLN  HB-         3.50    (#    818:25  Unique         2.15, 3.07 A)
 &rst
  ixpk= 818, nxpk= 25, iat= 261,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 265, 266,
 &end
#
#    3 LYS  HN            3 LYS  HG+         4.50    (#    819:25  Unique         2.37, 3.11 A)
 &rst
  ixpk= 819, nxpk= 25, iat=  43,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  50,  51,
 &end
#
#    3 LYS  HN            3 LYS  HG-         5.50    (#    820:25  Unique         2.37, 3.11 A)
 &rst
  ixpk= 820, nxpk= 25, iat=  43,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  50,  51,
 &end
#
#    4 VAL  HN            3 LYS  HG+         5.50    (#    821:25  Unique         2.82, 4.62 A)
 &rst
  ixpk= 821, nxpk= 25, iat=  65,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  50,  51,
 &end
#
#    4 VAL  HN            3 LYS  HG-         5.50    (#    822:25  Unique         2.82, 4.62 A)
 &rst
  ixpk= 822, nxpk= 25, iat=  65,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  50,  51,
 &end
#
#    3 LYS  HA            3 LYS  HG+         4.50    (#    823:25  Unique         2.40, 2.94 A)
 &rst
  ixpk= 823, 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    (#    824:25  Unique         2.40, 2.94 A)
 &rst
  ixpk= 824, nxpk= 25, iat=  45,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  50,  51,
 &end
#
#    3 LYS  HE+           3 LYS  HG+         5.50    (#    825:25  Unique         2.33, 2.80 A)
 &rst
  ixpk= 825, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=  56,  57,
 igr2=  50,  51,
 &end
#
#    3 LYS  HE+           3 LYS  HG-         5.50    (#    826:25  Unique         2.33, 2.80 A)
 &rst
  ixpk= 826, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=  56,  57,
 igr2=  50,  51,
 &end
#
#    3 LYS  HG-           3 LYS  HD+         2.80    (#    827:25  Unique         2.41, 2.75 A)
 &rst
  ixpk= 827, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=  50,  51,
 igr2=  53,  54,
 &end
#
#   72 ASP  HB-           3 LYS  HD+         4.50    (#    828:25  Unique         3.94, 5.52 A)
 &rst
  ixpk= 828, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1057,1058,
 igr2=  53,  54,
 &end
#
#   73 TYR  HA            3 LYS  HD+         5.50    (#    829:25  Unique         3.06, 4.09 A)
 &rst
  ixpk= 829, nxpk= 25, iat=1067,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  53,  54,
 &end
#
#   72 ASP  HA            3 LYS  HD+         5.50    (#    830:25  Unique         5.07, 6.03 A)
 &rst
  ixpk= 830, nxpk= 25, iat=1055,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  53,  54,
 &end
#
#    3 LYS  HA            3 LYS  HD+         5.50    (#    832:25  Unique         4.12, 4.47 A)
 &rst
  ixpk= 832, nxpk= 25, iat=  45,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  53,  54,
 &end
#
#    3 LYS  HN            3 LYS  HD+         5.50    (#    833:25  Unique         4.44, 4.89 A)
 &rst
  ixpk= 833, nxpk= 25, iat=  43,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  53,  54,
 &end
#
#    3 LYS  HN            3 LYS  HE+         5.50    (#    834:25  Unique         4.40, 5.13 A)
 &rst
  ixpk= 834, nxpk= 25, iat=  43,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  56,  57,
 &end
#
#   73 TYR  HE            3 LYS  HE+         5.50    (#    835:25  Unique         5.39, 6.48 A)
 &rst
  ixpk= 835, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1075,1080,
 igr2=  56,  57,
 &end
#
#    3 LYS  HB+           3 LYS  HE+         4.50    (#    837:25  Unique         2.16, 4.33 A)
 &rst
  ixpk= 837, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=  47,  48,
 igr2=  56,  57,
 &end
#
#    3 LYS  HD+           3 LYS  HE+         2.80    (#    838:25  Unique         2.29, 2.76 A)
 &rst
  ixpk= 838, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=  53,  54,
 igr2=  56,  57,
 &end
#
#    3 LYS  HG-           3 LYS  HE+         3.50    (#    839:25  Unique         2.33, 2.80 A)
 &rst
  ixpk= 839, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=  50,  51,
 igr2=  56,  57,
 &end
#
#    4 VAL  MGX           4 VAL  HA          3.50    (#    840:25  Unique         2.41, 3.24 A)
 &rst
  ixpk= 840, nxpk= 25, iat=  -1,  67, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=  71,  72,  73,  75,  76,  77,
 &end
#
#    4 VAL  MGY           4 VAL  HA          2.80    (#    841:25  Unique         2.41, 3.24 A)
 &rst
  ixpk= 841, 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
#
#    4 VAL  HB            4 VAL  HA          4.50    (#    842:25  Unique         2.97, 3.00 A)
 &rst
  ixpk= 842, nxpk= 25, iat=  69,  67, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   75 VAL  HB            4 VAL  HA          4.50    (#    843:25  Unique         2.19, 3.78 A)
 &rst
  ixpk= 843, nxpk= 25, iat=1102,  67, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   75 VAL  HN            4 VAL  HA          3.50    (#    844:25  Unique         3.03, 3.21 A)
 &rst
  ixpk= 844, nxpk= 25, iat=1098,  67, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    5 MET  HN            4 VAL  HA          2.80    (#    845:25  Unique         2.20, 2.25 A)
 &rst
  ixpk= 845, nxpk= 25, iat=  81,  67, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    4 VAL  HN            4 VAL  HA          5.50    (#    846:25  Unique         2.95, 2.97 A)
 &rst
  ixpk= 846, nxpk= 25, iat=  65,  67, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  25-2:847      4 VAL  HB          4.50    (#    847:25  Single Ambig)
 &rst
  ixpk= 847, nxpk= 25, iat=  -1,  69, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=  81, 477,
 &end
#
#    6 PHE  HD            4 VAL  HB          5.50    (#    848:25  Unique         3.97, 5.93 A)
 &rst
  ixpk= 848, nxpk= 25, iat=  -1,  69, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 106, 114,
 &end
#
#    4 VAL  HA            4 VAL  HB          3.50    (#    849:25  Unique         2.97, 3.00 A)
 &rst
  ixpk= 849, nxpk= 25, iat=  67,  69, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    5 MET  HB-           4 VAL  MGX         5.50    (#    850:25  Unique         4.74, 7.15 A)
 &rst
  ixpk= 850, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=  85,  86,
 igr2=  71,  72,  73,  75,  76,  77,
 &end
#
#   75 VAL  HA            4 VAL  MGX         5.50    (#    851:25  Unique         4.76, 6.48 A)
 &rst
  ixpk= 851, nxpk= 25, iat=1100,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=  71,  72,  73,  75,  76,  77,
 &end
#
#    0 AMB  25-2:853      4 VAL  MGX         5.50    (#    853:25  Single Ambig)
 &rst
  ixpk= 853, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1098, 458,
 igr2=  71,  72,  73,  75,  76,  77,
 &end
#
#  115 VAL  HN          115 VAL  MGX         5.50    (#    854:25  Unique         2.29, 3.84 A)
 &rst
  ixpk= 854, nxpk= 25, iat=1714,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1720,1721,1722,1724,1725,1726,
 &end
#
#    0 AMB  25-2:855      4 VAL  MGY         5.50    (#    855:25  Single Ambig)
 &rst
  ixpk= 855, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1114,  21,
 igr2=  71,  72,  73,  75,  76,  77,
 &end
#
#    0 AMB  25-2:856      4 VAL  MGY         4.50    (#    856:25  Single Ambig)
 &rst
  ixpk= 856, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1098, 458,
 igr2=  71,  72,  73,  75,  76,  77,
 &end
#
#    6 PHE  HD            4 VAL  MGY         5.50    (#    857:25  Unique         2.82, 6.48 A)
 &rst
  ixpk= 857, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 106, 114,
 igr2=  71,  72,  73,  75,  76,  77,
 &end
#
#    2 LYS  HA            4 VAL  MGY         5.50    (#    858:25  Unique         5.24, 7.22 A)
 &rst
  ixpk= 858, nxpk= 25, iat=  23,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=  71,  72,  73,  75,  76,  77,
 &end
#
#   74 ASP  HB-           4 VAL  MGY         5.50    (#    861:25  Unique         4.51, 7.26 A)
 &rst
  ixpk= 861, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1090,1091,
 igr2=  71,  72,  73,  75,  76,  77,
 &end
#
#   75 VAL  HB            4 VAL  MGY         4.50    (#    862:25  Unique         2.16, 4.80 A)
 &rst
  ixpk= 862, nxpk= 25, iat=1102,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=  71,  72,  73,  75,  76,  77,
 &end
#
#    0 AMB  25-2:863      4 VAL  MGY         3.50    (#    863:25  Single Ambig)
 &rst
  ixpk= 863, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=  25,  26,1907,
 igr2=  71,  72,  73,  75,  76,  77,
 &end
#
#   30 ILE  HG1-          4 VAL  MGY         3.50    (#    864:25  Unique         2.55, 5.28 A)
 &rst
  ixpk= 864, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 468, 469,
 igr2=  71,  72,  73,  75,  76,  77,
 &end
#
#    0 AMB  25-2:865      4 VAL  MGY         2.80    (#    865:25  Single Ambig)
 &rst
  ixpk= 865, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 462,  69,
 igr2=  71,  72,  73,  75,  76,  77,
 &end
#
#    7 VAL  MGX           5 MET  HA          5.50    (#    867:25  Unique         3.87, 6.62 A)
 &rst
  ixpk= 867, nxpk= 25, iat=  -1,  83, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 124, 125, 126, 128, 129, 130,
 &end
#
#    0 AMB  25-2:868     78 SER  HA          4.50    (#    868:25  Single Ambig)
 &rst
  ixpk= 868, nxpk= 25, iat=  -1,1151, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
 igr1=1167,1253,1254,1255,1257,1258,1259,
 &end
#
#   77 ILE  HB            0 AMB  25-1:869    4.50    (#    869:25  Single Ambig)
 &rst
  ixpk= 869, nxpk= 25, iat=1134,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1151,  83,
 &end
#
#    5 MET  HB+           5 MET  HA          4.50    (#    870:25  Unique         2.48, 2.78 A)
 &rst
  ixpk= 870, nxpk= 25, iat=  -1,  83, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=  85,  86,
 &end
#
#    5 MET  HB-           5 MET  HA          4.50    (#    871:25  Unique         2.48, 2.78 A)
 &rst
  ixpk= 871, nxpk= 25, iat=  -1,  83, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=  85,  86,
 &end
#
#    0 AMB  25-2:872      0 AMB  25-1:872    4.50    (#    872:25  Double Ambig)
 &rst
  ixpk= 872, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 521, 522, 100,
 igr2=  83,1151,
 &end
#
#    6 PHE  HD            5 MET  HA          3.50    (#    873:25  Unique         3.22, 5.12 A)
 &rst
  ixpk= 873, nxpk= 25, iat=  -1,  83, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 106, 114,
 &end
#
#    6 PHE  HN            5 MET  HA          2.80    (#    875:25  Unique         2.19, 2.25 A)
 &rst
  ixpk= 875, nxpk= 25, iat=  98,  83, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    5 MET  HA            5 MET  HB+         4.50    (#    876:25  Unique         2.48, 2.78 A)
 &rst
  ixpk= 876, nxpk= 25, iat=  83,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  85,  86,
 &end
#
#   76 VAL  HB            5 MET  HB+         5.50    (#    877:25  Unique         4.26, 5.28 A)
 &rst
  ixpk= 877, nxpk= 25, iat=1118,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  85,  86,
 &end
#
#    6 PHE  HD            5 MET  HB+         5.50    (#    879:25  Unique         5.02, 6.49 A)
 &rst
  ixpk= 879, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 106, 114,
 igr2=  85,  86,
 &end
#
#   72 ASP  HN           69 ASN  HB-         5.50    (#    880:25  Unique         2.93, 4.34 A)
 &rst
  ixpk= 880, nxpk= 25, iat=1053,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1021,1022,
 &end
#
#    0 AMB  25-2:881      0 AMB  25-1:881    5.50    (#    881:25  Double Ambig)
 &rst
  ixpk= 881, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=  81, 528,
 igr2=  85,  86,  85,  86,
 &end
#
#    0 AMB  25-2:888      0 AMB  25-1:888    5.50    (#    888:25  Double Ambig)
 &rst
  ixpk= 888, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1=1298,1299,1270,1271,
 igr2=1284,1285,1284,1285,
 &end
#
#   65 ILE  HN           64 PRO  HB+         4.50    (#    889:25  Unique         3.10, 3.73 A)
 &rst
  ixpk= 889, nxpk= 25, iat= 949,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 942, 943,
 &end
#
#   66 GLU  HN           64 PRO  HB+         5.50    (#    890:25  Unique         2.44, 3.41 A)
 &rst
  ixpk= 890, nxpk= 25, iat= 968,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 942, 943,
 &end
#
#  100 GLN  HN          100 GLN  HB+         5.50    (#    891:25  Unique         2.42, 2.75 A)
 &rst
  ixpk= 891, nxpk= 25, iat=1482,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1486,1487,
 &end
#
#  100 GLN  HN          100 GLN  HB-         5.50    (#    892:25  Unique         2.42, 2.75 A)
 &rst
  ixpk= 892, nxpk= 25, iat=1482,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1486,1487,
 &end
#
#    0 AMB  25-2:893      0 AMB  25-1:893    5.50    (#    893:25  Double Ambig)
 &rst
  ixpk= 893, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 949, 239,
 igr2= 939, 940,1486,1487,
 &end
#
#   63 ASP  HA           64 PRO  HG+         5.50    (#    894:25  Unique         4.38, 4.71 A)
 &rst
  ixpk= 894, nxpk= 25, iat= 925,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 939, 940,
 &end
#
#   64 PRO  HD+          64 PRO  HG-         3.50    (#    896:25  Unique         2.31, 2.61 A)
 &rst
  ixpk= 896, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 936, 937,
 igr2= 939, 940,
 &end
#
#   64 PRO  HD+          64 PRO  HG+         3.50    (#    897:25  Unique         2.31, 2.61 A)
 &rst
  ixpk= 897, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 936, 937,
 igr2= 939, 940,
 &end
#
#   53 VAL  HN           51 GLU  HA          4.50    (#    898:25  Unique         3.48, 3.85 A)
 &rst
  ixpk= 898, nxpk= 25, iat= 790, 762, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:899     17 MET  HA          3.50    (#    899:25  Single Ambig)
 &rst
  ixpk= 899, nxpk= 25, iat=  -1, 280, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 285, 286, 322, 323,
 &end
#
#   50 MET  HG-          17 MET  HA          4.50    (#    900:25  Unique         3.02, 4.17 A)
 &rst
  ixpk= 900, nxpk= 25, iat=  -1, 280, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 750, 751,
 &end
#
#    0 AMB  25-2:901     17 MET  HA          2.80    (#    901:25  Single Ambig)
 &rst
  ixpk= 901, nxpk= 25, iat=  -1, 280, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 285, 286, 282, 283,
 &end
#
#   55 ILE  QG2          51 GLU  HA          5.50    (#    902:25  Unique         4.77, 5.73 A)
 &rst
  ixpk= 902, nxpk= 25, iat=  -1, 762, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 819, 820, 821,
 &end
#
#   17 MET  HG+          17 MET  HB+         3.50    (#    903:25  Unique         2.25, 2.60 A)
 &rst
  ixpk= 903, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 285, 286,
 igr2= 282, 283,
 &end
#
#   17 MET  HG+          17 MET  HB-         3.50    (#    904:25  Unique         2.25, 2.60 A)
 &rst
  ixpk= 904, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 285, 286,
 igr2= 282, 283,
 &end
#
#  119 VAL  MGX          17 MET  HB+         4.50    (#    905:25  Unique         2.11, 4.07 A)
 &rst
  ixpk= 905, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1784,1785,1786,1788,1789,1790,
 igr2= 282, 283,
 &end
#
#    0 AMB  25-2:907      0 AMB  25-1:907    3.50    (#    907:25  Double Ambig)
 &rst
  ixpk= 907, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 280,1546,1547,
 igr2= 282, 283, 282, 283,
 &end
#
#    0 AMB  25-2:908      0 AMB  25-1:908    3.50    (#    908:25  Double Ambig)
 &rst
  ixpk= 908, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1555, 280,
 igr2=1585,1586, 282, 283,
 &end
#
#    0 AMB  25-2:909      0 AMB  25-1:909    5.50    (#    909:25  Double Ambig)
 &rst
  ixpk= 909, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1=1546,1547,1599,1600,1546,1547,
 igr2= 282, 283,1585,1586,
 &end
#
#   18 ALA  HN           17 MET  HB+         4.50    (#    910:25  Unique         1.81, 3.11 A)
 &rst
  ixpk= 910, nxpk= 25, iat= 295,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 282, 283,
 &end
#
#   18 ALA  HN           17 MET  HB-         4.50    (#    911:25  Unique         1.81, 3.11 A)
 &rst
  ixpk= 911, nxpk= 25, iat= 295,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 282, 283,
 &end
#
#   17 MET  HN           17 MET  HB+         4.50    (#    912:25  Unique         2.03, 3.11 A)
 &rst
  ixpk= 912, nxpk= 25, iat= 278,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 282, 283,
 &end
#
#   17 MET  HN           17 MET  HG-         4.50    (#    913:25  Unique         2.88, 4.02 A)
 &rst
  ixpk= 913, nxpk= 25, iat= 278,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 285, 286,
 &end
#
#   17 MET  HN           17 MET  HG+         4.50    (#    914:25  Unique         2.88, 4.02 A)
 &rst
  ixpk= 914, nxpk= 25, iat= 278,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 285, 286,
 &end
#
#   18 ALA  HN           17 MET  HG-         5.50    (#    915:25  Unique         4.09, 4.98 A)
 &rst
  ixpk= 915, nxpk= 25, iat= 295,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 285, 286,
 &end
#
#   18 ALA  HN           17 MET  HG+         5.50    (#    916:25  Unique         4.09, 4.98 A)
 &rst
  ixpk= 916, nxpk= 25, iat= 295,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 285, 286,
 &end
#
#   17 MET  HA           17 MET  HG+         3.50    (#    917:25  Unique         2.14, 2.94 A)
 &rst
  ixpk= 917, nxpk= 25, iat= 280,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 285, 286,
 &end
#
#   17 MET  HA           17 MET  HG-         3.50    (#    918:25  Unique         2.14, 2.94 A)
 &rst
  ixpk= 918, nxpk= 25, iat= 280,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 285, 286,
 &end
#
#    0 AMB  25-2:922      0 AMB  25-1:922    4.50    (#    922:25  Double Ambig)
 &rst
  ixpk= 922, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 268, 269, 265, 266,
 igr2= 285, 286, 285, 286,
 &end
#
#   16 GLN  HG+          17 MET  HG-         4.50    (#    923:25  Unique         2.11, 4.30 A)
 &rst
  ixpk= 923, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 268, 269,
 igr2= 285, 286,
 &end
#
#    0 AMB  25-2:924      0 AMB  25-1:924    5.50    (#    924:25  Double Ambig)
 &rst
  ixpk= 924, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.88, r4=11.63,
 igr1= 265, 266,1784,1785,1786,1788,1789,1790,1549,1550,
      
 igr2= 285, 286, 285, 286, 285, 286,
 &end
#
#   47 ILE  QD1          44 PRO  HB+         4.50    (#    926:25  Unique         4.07, 5.64 A)
 &rst
  ixpk= 926, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 710, 711, 712,
 igr2= 666, 667,
 &end
#
#   17 MET  ME           17 MET  HG+         5.50    (#    927:25  Unique         2.23, 3.64 A)
 &rst
  ixpk= 927, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 289, 290, 291,
 igr2= 285, 286,
 &end
#
#   57 ILE  QD1          17 MET  HG+         5.50    (#    928:25  Unique         2.39, 5.23 A)
 &rst
  ixpk= 928, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 857, 858, 859,
 igr2= 285, 286,
 &end
#
#   57 ILE  QD1          17 MET  HG-         5.50    (#    929:25  Unique         2.39, 5.23 A)
 &rst
  ixpk= 929, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 857, 858, 859,
 igr2= 285, 286,
 &end
#
#   18 ALA  MB           18 ALA  HA          2.80    (#    930:25  Unique         2.35, 2.66 A)
 &rst
  ixpk= 930, nxpk= 25, iat=  -1, 297, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 299, 300, 301,
 &end
#
#  101 LEU  MDX          18 ALA  HA          5.50    (#    931:25  Unique         3.85, 6.90 A)
 &rst
  ixpk= 931, nxpk= 25, iat=  -1, 297, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1508,1509,1510,1512,1513,1514,
 &end
#
#  119 VAL  MGX          18 ALA  HA          2.80    (#    932:25  Unique         2.22, 3.84 A)
 &rst
  ixpk= 932, nxpk= 25, iat=  -1, 297, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1784,1785,1786,1788,1789,1790,
 &end
#
#  119 VAL  MGY          18 ALA  HA          4.50    (#    933:25  Unique         2.22, 3.84 A)
 &rst
  ixpk= 933, nxpk= 25, iat=  -1, 297, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1784,1785,1786,1788,1789,1790,
 &end
#
#   22 ALA  MB           18 ALA  HA          5.50    (#    934:25  Unique         4.63, 5.75 A)
 &rst
  ixpk= 934, nxpk= 25, iat=  -1, 297, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 351, 352, 353,
 &end
#
#  123 VAL  MGX          18 ALA  HA          3.50    (#    935:25  Unique         2.08, 4.10 A)
 &rst
  ixpk= 935, nxpk= 25, iat=  -1, 297, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1861,1862,1863,1865,1866,1867,
 &end
#
#   17 MET  HB-          18 ALA  HA          4.50    (#    936:25  Unique         3.58, 4.44 A)
 &rst
  ixpk= 936, nxpk= 25, iat=  -1, 297, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 282, 283,
 &end
#
#   21 PHE  HB-          18 ALA  HA          5.50    (#    938:25  Unique         2.80, 4.01 A)
 &rst
  ixpk= 938, nxpk= 25, iat=  -1, 297, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 331, 332,
 &end
#
#   21 PHE  HD           18 ALA  HA          4.50    (#    939:25  Unique         3.48, 5.39 A)
 &rst
  ixpk= 939, nxpk= 25, iat=  -1, 297, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 335, 343,
 &end
#
#    6 PHE  HD           18 ALA  HA          5.50    (#    940:25  Unique         4.70, 5.66 A)
 &rst
  ixpk= 940, nxpk= 25, iat=  -1, 297, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 106, 114,
 &end
#
#   18 ALA  HN           18 ALA  HA          3.50    (#    941:25  Unique         2.22, 2.80 A)
 &rst
  ixpk= 941, nxpk= 25, iat= 295, 297, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   19 GLU  HN           18 ALA  HA          4.50    (#    942:25  Unique         3.53, 3.58 A)
 &rst
  ixpk= 942, nxpk= 25, iat= 305, 297, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   19 GLU  HN           18 ALA  MB          3.50    (#    943:25  Unique         2.28, 3.32 A)
 &rst
  ixpk= 943, nxpk= 25, iat= 305,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 299, 300, 301,
 &end
#
#   18 ALA  HA           18 ALA  MB          2.80    (#    945:25  Unique         2.35, 2.66 A)
 &rst
  ixpk= 945, nxpk= 25, iat= 297,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 299, 300, 301,
 &end
#
#    0 AMB  25-2:946     18 ALA  MB          5.50    (#    946:25  Single Ambig)
 &rst
  ixpk= 946, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 230, 231, 282, 283,
 igr2= 299, 300, 301,
 &end
#
#   19 GLU  HG-          18 ALA  MB          5.50    (#    947:25  Unique         4.55, 6.48 A)
 &rst
  ixpk= 947, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 312, 313,
 igr2= 299, 300, 301,
 &end
#
#    0 AMB  25-2:948     18 ALA  MB          4.50    (#    948:25  Single Ambig)
 &rst
  ixpk= 948, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.47, r4= 8.22,
 igr1= 351, 352, 353, 265, 266, 268, 269,
 igr2= 299, 300, 301,
 &end
#
#  123 VAL  MGX          18 ALA  MB          4.50    (#    949:25  Unique         2.48, 5.50 A)
 &rst
  ixpk= 949, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=1861,1862,1863,1865,1866,1867,
 igr2= 299, 300, 301,
 &end
#
#    0 AMB  25-2:950     18 ALA  MB          2.80    (#    950:25  Single Ambig)
 &rst
  ixpk= 950, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=1508,1509,1510,1512,1513,1514,1784,1785,1786,1788,
      1789,1790,
 igr2= 299, 300, 301,
 &end
#
#    0 AMB  25-2:951     19 GLU  HA          5.50    (#    951:25  Single Ambig)
 &rst
  ixpk= 951, nxpk= 25, iat=  -1, 307, r1= 0.00, r2= 1.80, r3= 8.20, r4= 8.95,
 igr1=  71,  72,  73,  75,  76,  77, 850, 851, 852,1140,
      1141,
 &end
#
#   32 VAL  MGX          19 GLU  HA          3.50    (#    952:25  Unique         2.22, 4.00 A)
 &rst
  ixpk= 952, nxpk= 25, iat=  -1, 307, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 493, 494, 495, 497, 498, 499,
 &end
#
#   32 VAL  MGY          19 GLU  HA          2.80    (#    953:25  Unique         2.22, 4.00 A)
 &rst
  ixpk= 953, nxpk= 25, iat=  -1, 307, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 493, 494, 495, 497, 498, 499,
 &end
#
#   22 ALA  MB           19 GLU  HA          2.80    (#    954:25  Unique         2.25, 3.37 A)
 &rst
  ixpk= 954, nxpk= 25, iat=  -1, 307, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 351, 352, 353,
 &end
#
#   19 GLU  HB+          19 GLU  HA          2.80    (#    955:25  Unique         2.27, 2.43 A)
 &rst
  ixpk= 955, nxpk= 25, iat=  -1, 307, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 309, 310,
 &end
#
#   20 GLY  HN           19 GLU  HA          4.50    (#    957:25  Unique         3.52, 3.57 A)
 &rst
  ixpk= 957, nxpk= 25, iat= 320, 307, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   23 LYS  HN           19 GLU  HA          4.50    (#    958:25  Unique         3.79, 4.07 A)
 &rst
  ixpk= 958, nxpk= 25, iat= 357, 307, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   22 ALA  HN           19 GLU  HA          5.50    (#    959:25  Unique         3.02, 3.31 A)
 &rst
  ixpk= 959, nxpk= 25, iat= 347, 307, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   60 GLN  HE2-         60 GLN  HB-         4.50    (#    960:25  Unique         2.07, 3.58 A)
 &rst
  ixpk= 960, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 893, 894,
 igr2= 885, 886,
 &end
#
#    0 AMB  25-2:961      0 AMB  25-1:961    2.80    (#    961:25  Double Ambig)
 &rst
  ixpk= 961, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 307, 521, 522,
 igr2= 309, 310, 309, 310,
 &end
#
#   34 SER  HB-          19 GLU  HG+         3.50    (#    962:25  Unique         2.33, 4.29 A)
 &rst
  ixpk= 962, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 521, 522,
 igr2= 312, 313,
 &end
#
#   34 SER  HB-          19 GLU  HG-         4.50    (#    963:25  Unique         2.33, 4.29 A)
 &rst
  ixpk= 963, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 521, 522,
 igr2= 312, 313,
 &end
#
#    0 AMB  25-2:964      0 AMB  25-1:964    3.50    (#    964:25  Double Ambig)
 &rst
  ixpk= 964, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1520,1818,
 igr2=1525,1526,1823,1824,
 &end
#
#    0 AMB  25-2:965      0 AMB  25-1:965    3.50    (#    965:25  Double Ambig)
 &rst
  ixpk= 965, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1520,1293,
 igr2=1525,1526,1298,1299,
 &end
#
#    0 AMB  25-2:966      0 AMB  25-1:966    4.50    (#    966:25  Double Ambig)
 &rst
  ixpk= 966, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 883,1043,
 igr2= 312, 313,1298,1299,
 &end
#
#    0 AMB  25-2:967      0 AMB  25-1:967    4.50    (#    967:25  Double Ambig)
 &rst
  ixpk= 967, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1501, 846,
 igr2=1525,1526, 312, 313,
 &end
#
#    0 AMB  25-2:968      0 AMB  25-1:968    3.50    (#    968:25  Double Ambig)
 &rst
  ixpk= 968, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1314,1590,1591,
 igr2=1298,1299,1525,1526,
 &end
#
#    0 AMB  25-2:969      0 AMB  25-1:969    3.50    (#    969:25  Double Ambig)
 &rst
  ixpk= 969, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1314,1590,1591,
 igr2=1298,1299,1525,1526,
 &end
#
#   97 GLU  HN           97 GLU  HG-         3.50    (#    970:25  Unique         2.37, 3.82 A)
 &rst
  ixpk= 970, nxpk= 25, iat=1431,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1438,1439,
 &end
#
#    0 AMB  25-2:971      0 AMB  25-1:971    3.50    (#    971:25  Double Ambig)
 &rst
  ixpk= 971, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1831,1325,
 igr2=1823,1824,1298,1299,
 &end
#
#   89 GLU  HN           89 GLU  HG+         3.50    (#    972:25  Unique         1.80, 2.97 A)
 &rst
  ixpk= 972, nxpk= 25, iat=1291,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1298,1299,
 &end
#
#   89 GLU  HN           89 GLU  HG-         3.50    (#    973:25  Unique         1.80, 2.97 A)
 &rst
  ixpk= 973, nxpk= 25, iat=1291,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1298,1299,
 &end
#
#   21 PHE  HN           20 GLY  HA+         4.50    (#    974:25  Unique         2.61, 3.18 A)
 &rst
  ixpk= 974, nxpk= 25, iat= 327,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 322, 323,
 &end
#
#   21 PHE  HN           20 GLY  HA-         3.50    (#    975:25  Unique         2.61, 3.18 A)
 &rst
  ixpk= 975, nxpk= 25, iat= 327,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 322, 323,
 &end
#
#   21 PHE  HB+          20 GLY  HA+         5.50    (#    976:25  Unique         4.79, 5.87 A)
 &rst
  ixpk= 976, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 331, 332,
 igr2= 322, 323,
 &end
#
#   21 PHE  HB+          20 GLY  HA-         5.50    (#    977:25  Unique         4.79, 5.87 A)
 &rst
  ixpk= 977, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 331, 332,
 igr2= 322, 323,
 &end
#
#    0 AMB  25-2:978      0 AMB  25-1:978    3.50    (#    978:25  Double Ambig)
 &rst
  ixpk= 978, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 361, 362, 312, 313,
 igr2= 322, 323, 322, 323,
 &end
#
#    0 AMB  25-2:979     20 GLY  HA-         3.50    (#    979:25  Single Ambig)
 &rst
  ixpk= 979, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 361, 362, 312, 313,
 igr2= 322, 323,
 &end
#
#   23 LYS  HB-          20 GLY  HA+         5.50    (#    980:25  Unique         2.46, 5.18 A)
 &rst
  ixpk= 980, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 361, 362,
 igr2= 322, 323,
 &end
#
#   23 LYS  HD+          20 GLY  HA+         3.50    (#    981:25  Unique         2.26, 4.15 A)
 &rst
  ixpk= 981, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 367, 368,
 igr2= 322, 323,
 &end
#
#   23 LYS  HD+          20 GLY  HA-         4.50    (#    982:25  Unique         2.26, 4.15 A)
 &rst
  ixpk= 982, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 367, 368,
 igr2= 322, 323,
 &end
#
#   17 MET  ME           20 GLY  HA+         4.50    (#    983:25  Unique         2.63, 4.59 A)
 &rst
  ixpk= 983, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 289, 290, 291,
 igr2= 322, 323,
 &end
#
#   57 ILE  QG2          20 GLY  HA+         2.80    (#    984:25  Unique         2.37, 3.30 A)
 &rst
  ixpk= 984, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 850, 851, 852,
 igr2= 322, 323,
 &end
#
#   55 ILE  QG2          20 GLY  HA+         3.50    (#    985:25  Unique         2.29, 3.41 A)
 &rst
  ixpk= 985, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 819, 820, 821,
 igr2= 322, 323,
 &end
#
#   55 ILE  QD1          20 GLY  HA-         5.50    (#    986:25  Unique         2.65, 4.05 A)
 &rst
  ixpk= 986, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 826, 827, 828,
 igr2= 322, 323,
 &end
#
#    0 AMB  25-2:987     21 PHE  HA          4.50    (#    987:25  Single Ambig)
 &rst
  ixpk= 987, nxpk= 25, iat=  -1, 329, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 402, 403, 404, 406, 407, 408,1861,1862,1863,1865,
      1866,1867,
 &end
#
#   24 THR  MG2          21 PHE  HA          4.50    (#    988:25  Unique         3.45, 4.13 A)
 &rst
  ixpk= 988, nxpk= 25, iat=  -1, 329, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 385, 386, 387,
 &end
#
#    0 AMB  25-2:989     21 PHE  HA          4.50    (#    989:25  Single Ambig)
 &rst
  ixpk= 989, nxpk= 25, iat=  -1, 329, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
 igr1= 367, 368, 397, 398, 351, 352, 353,
 &end
#
#    0 AMB  25-2:990     21 PHE  HA          4.50    (#    990:25  Single Ambig)
 &rst
  ixpk= 990, nxpk= 25, iat=  -1, 329, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 400, 361, 362,
 &end
#
#   21 PHE  HB+          21 PHE  HA          2.80    (#    991:25  Unique         2.51, 2.84 A)
 &rst
  ixpk= 991, nxpk= 25, iat=  -1, 329, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 331, 332,
 &end
#
#   20 GLY  HA-          21 PHE  HA          5.50    (#    992:25  Unique         4.31, 4.53 A)
 &rst
  ixpk= 992, nxpk= 25, iat=  -1, 329, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 322, 323,
 &end
#
#   24 THR  HB           21 PHE  HA          3.50    (#    993:25  Unique         1.97, 2.16 A)
 &rst
  ixpk= 993, nxpk= 25, iat= 383, 329, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   21 PHE  HE           21 PHE  HA          5.50    (#    994:25  Unique         4.26, 5.03 A)
 &rst
  ixpk= 994, nxpk= 25, iat=  -1, 329, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 337, 341,
 &end
#
#   21 PHE  HN           21 PHE  HA          3.50    (#    995:25  Unique         2.81, 2.85 A)
 &rst
  ixpk= 995, nxpk= 25, iat= 327, 329, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   25 LEU  HN           21 PHE  HA          5.50    (#    996:25  Unique         3.51, 3.65 A)
 &rst
  ixpk= 996, nxpk= 25, iat= 393, 329, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   22 ALA  HN           21 PHE  HA          5.50    (#    997:25  Unique         3.53, 3.58 A)
 &rst
  ixpk= 997, nxpk= 25, iat= 347, 329, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   22 ALA  HN           21 PHE  HB+         4.50    (#    998:25  Unique         2.96, 3.32 A)
 &rst
  ixpk= 998, nxpk= 25, iat= 347,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 331, 332,
 &end
#
#   22 ALA  HN           21 PHE  HB-         4.50    (#    999:25  Unique         2.96, 3.32 A)
 &rst
  ixpk= 999, nxpk= 25, iat= 347,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 331, 332,
 &end
#
#   21 PHE  HN           21 PHE  HB+         4.50    (#   1000:25  Unique         2.17, 2.93 A)
 &rst
  ixpk= 1000, nxpk= 25, iat= 327,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 331, 332,
 &end
#
#   21 PHE  HN           21 PHE  HB-         3.50    (#   1001:25  Unique         2.17, 2.93 A)
 &rst
  ixpk= 1001, nxpk= 25, iat= 327,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 331, 332,
 &end
#
#   21 PHE  HA           21 PHE  HB+         3.50    (#   1002:25  Unique         2.51, 2.84 A)
 &rst
  ixpk= 1002, nxpk= 25, iat= 329,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 331, 332,
 &end
#
#   21 PHE  HA           21 PHE  HB-         3.50    (#   1003:25  Unique         2.51, 2.84 A)
 &rst
  ixpk= 1003, nxpk= 25, iat= 329,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 331, 332,
 &end
#
#  123 VAL  HB           21 PHE  HB-         4.50    (#   1004:25  Unique         2.70, 3.56 A)
 &rst
  ixpk= 1004, nxpk= 25, iat=1859,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 331, 332,
 &end
#
#  123 VAL  HB           21 PHE  HB+         5.50    (#   1005:25  Unique         2.70, 3.56 A)
 &rst
  ixpk= 1005, nxpk= 25, iat=1859,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 331, 332,
 &end
#
#    0 AMB  25-2:1006     0 AMB  25-1:1006   5.50    (#   1006:25  Double Ambig)
 &rst
  ixpk= 1006, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 400, 282, 283,
 igr2= 331, 332, 331, 332,
 &end
#
#    0 AMB  25-2:1007    21 PHE  HB-         5.50    (#   1007:25  Single Ambig)
 &rst
  ixpk= 1007, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 400, 282, 283,
 igr2= 331, 332,
 &end
#
#    0 AMB  25-2:1008     0 AMB  25-1:1008   5.50    (#   1008:25  Double Ambig)
 &rst
  ixpk= 1008, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.06, r4= 9.81,
 igr1= 397, 398, 351, 352, 353,
 igr2= 331, 332, 331, 332,
 &end
#
#  123 VAL  MGX          21 PHE  HB+         4.50    (#   1009:25  Unique         2.28, 3.90 A)
 &rst
  ixpk= 1009, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1861,1862,1863,1865,1866,1867,
 igr2= 331, 332,
 &end
#
#  123 VAL  MGX          21 PHE  HB-         4.50    (#   1010:25  Unique         2.28, 3.90 A)
 &rst
  ixpk= 1010, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1861,1862,1863,1865,1866,1867,
 igr2= 331, 332,
 &end
#
#  119 VAL  MGX          21 PHE  HB+         5.50    (#   1011:25  Unique         2.88, 6.06 A)
 &rst
  ixpk= 1011, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1784,1785,1786,1788,1789,1790,
 igr2= 331, 332,
 &end
#
#  119 VAL  MGX          21 PHE  HB-         5.50    (#   1012:25  Unique         2.88, 6.06 A)
 &rst
  ixpk= 1012, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1784,1785,1786,1788,1789,1790,
 igr2= 331, 332,
 &end
#
#  127 ILE  QD1          22 ALA  HA          2.80    (#   1013:25  Unique         2.06, 3.15 A)
 &rst
  ixpk= 1013, nxpk= 25, iat=  -1, 349, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1932,1933,1934,
 &end
#
#    0 AMB  25-2:1014    22 ALA  HA          2.80    (#   1014:25  Single Ambig)
 &rst
  ixpk= 1014, nxpk= 25, iat=  -1, 349, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1861,1862,1863,1865,1866,1867, 402, 403, 404, 406,
       407, 408,
 &end
#
#  123 VAL  MGX          22 ALA  HA          4.50    (#   1015:25  Unique         2.39, 4.17 A)
 &rst
  ixpk= 1015, nxpk= 25, iat=  -1, 349, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1861,1862,1863,1865,1866,1867,
 &end
#
#    0 AMB  25-2:1016     0 AMB  25-1:1016   2.80    (#   1016:25  Double Ambig)
 &rst
  ixpk= 1016, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.35, r4= 5.10,
 igr1=1522,1523, 351, 352, 353, 397, 398,
 igr2=1520, 349,
 &end
#
#    0 AMB  25-2:1017     0 AMB  25-1:1017   4.50    (#   1017:25  Double Ambig)
 &rst
  ixpk= 1017, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1537,1538,1904,1905,
 igr2=1520, 349,
 &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= 6.07, r4= 6.82,
 igr1=1489,1490,1859,
 igr2=1520, 349,
 &end
#
#  103 ASP  HB+         102 GLU  HA          5.50    (#   1019:25  Unique         3.79, 4.65 A)
 &rst
  ixpk= 1019, nxpk= 25, iat=  -1,1520, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1537,1538,
 &end
#
#   24 THR  HN           22 ALA  HA          5.50    (#   1021:25  Unique         3.99, 4.19 A)
 &rst
  ixpk= 1021, nxpk= 25, iat= 379, 349, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   26 GLY  HN           22 ALA  HA          5.50    (#   1022:25  Unique         2.92, 3.22 A)
 &rst
  ixpk= 1022, nxpk= 25, iat= 412, 349, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   23 LYS  HN           22 ALA  HA          4.50    (#   1023:25  Unique         3.52, 3.59 A)
 &rst
  ixpk= 1023, nxpk= 25, iat= 357, 349, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   22 ALA  HN           22 ALA  HA          3.50    (#   1024:25  Unique         2.80, 2.85 A)
 &rst
  ixpk= 1024, nxpk= 25, iat= 347, 349, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   22 ALA  HN           22 ALA  MB          2.80    (#   1025:25  Unique         2.40, 2.87 A)
 &rst
  ixpk= 1025, nxpk= 25, iat= 347,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 351, 352, 353,
 &end
#
#    0 AMB  25-2:1026    22 ALA  MB          5.50    (#   1026:25  Single Ambig)
 &rst
  ixpk= 1026, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 393, 503,  65,
 igr2= 351, 352, 353,
 &end
#
#   21 PHE  HN           22 ALA  MB          5.50    (#   1027:25  Unique         4.88, 5.52 A)
 &rst
  ixpk= 1027, nxpk= 25, iat= 327,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 351, 352, 353,
 &end
#
#   26 GLY  HN           22 ALA  MB          5.50    (#   1028:25  Unique         4.43, 5.24 A)
 &rst
  ixpk= 1028, nxpk= 25, iat= 412,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 351, 352, 353,
 &end
#
#   21 PHE  HD           22 ALA  MB          5.50    (#   1029:25  Unique         6.58, 7.65 A)
 &rst
  ixpk= 1029, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 335, 343,
 igr2= 351, 352, 353,
 &end
#
#   21 PHE  HA           22 ALA  MB          5.50    (#   1030:25  Unique         5.66, 6.07 A)
 &rst
  ixpk= 1030, nxpk= 25, iat= 329,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 351, 352, 353,
 &end
#
#    0 AMB  25-2:1031    22 ALA  MB          4.50    (#   1031:25  Single Ambig)
 &rst
  ixpk= 1031, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 414, 415, 359,
 igr2= 351, 352, 353,
 &end
#
#   22 ALA  HA           22 ALA  MB          2.80    (#   1032:25  Unique         2.40, 2.67 A)
 &rst
  ixpk= 1032, nxpk= 25, iat= 349,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 351, 352, 353,
 &end
#
#   19 GLU  HA           22 ALA  MB          2.80    (#   1033:25  Unique         2.25, 3.37 A)
 &rst
  ixpk= 1033, nxpk= 25, iat= 307,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 351, 352, 353,
 &end
#
#    0 AMB  25-2:1034    22 ALA  MB          4.50    (#   1034:25  Single Ambig)
 &rst
  ixpk= 1034, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 331, 332, 370, 371,
 igr2= 351, 352, 353,
 &end
#
#    4 VAL  MGX          22 ALA  MB          5.50    (#   1036:25  Unique         3.15, 5.42 A)
 &rst
  ixpk= 1036, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=  71,  72,  73,  75,  76,  77,
 igr2= 351, 352, 353,
 &end
#
#   32 VAL  MGX          23 LYS  HA          3.50    (#   1037:25  Unique         2.69, 4.67 A)
 &rst
  ixpk= 1037, nxpk= 25, iat=  -1, 359, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 493, 494, 495, 497, 498, 499,
 &end
#
#   23 LYS  HG+          23 LYS  HA          3.50    (#   1038:25  Unique         2.88, 3.57 A)
 &rst
  ixpk= 1038, nxpk= 25, iat=  -1, 359, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 364, 365,
 &end
#
#   23 LYS  HB-          23 LYS  HA          2.80    (#   1039:25  Unique         2.26, 2.55 A)
 &rst
  ixpk= 1039, nxpk= 25, iat=  -1, 359, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 361, 362,
 &end
#
#   52 GLU  HB+          52 GLU  HA          2.80    (#   1040:25  Unique         2.28, 2.59 A)
 &rst
  ixpk= 1040, nxpk= 25, iat=  -1, 777, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 779, 780,
 &end
#
#   24 THR  HN           23 LYS  HB+         5.50    (#   1041:25  Unique         2.27, 3.80 A)
 &rst
  ixpk= 1041, nxpk= 25, iat= 379,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 361, 362,
 &end
#
#   24 THR  HN           23 LYS  HB-         5.50    (#   1042:25  Unique         2.27, 3.80 A)
 &rst
  ixpk= 1042, nxpk= 25, iat= 379,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 361, 362,
 &end
#
#   23 LYS  HN           23 LYS  HG+         5.50    (#   1043:25  Unique         1.99, 3.47 A)
 &rst
  ixpk= 1043, nxpk= 25, iat= 357,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 364, 365,
 &end
#
#   23 LYS  HN           23 LYS  HG-         5.50    (#   1044:25  Unique         1.99, 3.47 A)
 &rst
  ixpk= 1044, nxpk= 25, iat= 357,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 364, 365,
 &end
#
#   23 LYS  HA           23 LYS  HG+         4.50    (#   1045:25  Unique         2.88, 3.57 A)
 &rst
  ixpk= 1045, nxpk= 25, iat= 359,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 364, 365,
 &end
#
#   23 LYS  HA           23 LYS  HG-         4.50    (#   1046:25  Unique         2.88, 3.57 A)
 &rst
  ixpk= 1046, nxpk= 25, iat= 359,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 364, 365,
 &end
#
#   25 LEU  MDY          24 THR  HA          5.50    (#   1050:25  Unique         5.81, 7.17 A)
 &rst
  ixpk= 1050, nxpk= 25, iat=  -1, 381, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 402, 403, 404, 406, 407, 408,
 &end
#
#   55 ILE  QD1          24 THR  HA          5.50    (#   1051:25  Unique         4.75, 5.53 A)
 &rst
  ixpk= 1051, nxpk= 25, iat=  -1, 381, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 826, 827, 828,
 &end
#
#    0 AMB  25-2:1052    24 THR  HA          2.80    (#   1052:25  Single Ambig)
 &rst
  ixpk= 1052, nxpk= 25, iat=  -1, 381, r1= 0.00, r2= 1.80, r3= 3.66, r4= 4.41,
 igr1= 423, 424, 425, 364, 365,
 &end
#
#    0 AMB  25-2:1053    24 THR  HA          5.50    (#   1053:25  Single Ambig)
 &rst
  ixpk= 1053, nxpk= 25, iat=  -1, 381, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 361, 362, 400,
 &end
#
#   27 ALA  HN           24 THR  HA          5.50    (#   1057:25  Unique         3.86, 4.10 A)
 &rst
  ixpk= 1057, nxpk= 25, iat= 419, 381, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   21 PHE  HD           24 THR  HA          5.50    (#   1058:25  Unique         5.61, 7.54 A)
 &rst
  ixpk= 1058, nxpk= 25, iat=  -1, 381, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 335, 343,
 &end
#
#   26 GLY  HN           24 THR  HA          5.50    (#   1059:25  Unique         4.54, 4.69 A)
 &rst
  ixpk= 1059, nxpk= 25, iat= 412, 381, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   23 LYS  HN           24 THR  HA          5.50    (#   1060:25  Unique         5.22, 5.31 A)
 &rst
  ixpk= 1060, nxpk= 25, iat= 357, 381, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   25 LEU  HN           24 THR  HA          3.50    (#   1061:25  Unique         3.55, 3.56 A)
 &rst
  ixpk= 1061, nxpk= 25, iat= 393, 381, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   26 GLY  HN           24 THR  HB          5.50    (#   1062:25  Unique         4.61, 4.82 A)
 &rst
  ixpk= 1062, nxpk= 25, iat= 412, 383, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   21 PHE  HD           24 THR  HB          5.50    (#   1063:25  Unique         2.74, 4.65 A)
 &rst
  ixpk= 1063, nxpk= 25, iat=  -1, 383, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 335, 343,
 &end
#
#    0 AMB  25-2:1066    24 THR  HB          4.50    (#   1066:25  Single Ambig)
 &rst
  ixpk= 1066, nxpk= 25, iat=  -1, 383, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 400, 361, 362,
 &end
#
#    0 AMB  25-2:1068    24 THR  HB          5.50    (#   1068:25  Single Ambig)
 &rst
  ixpk= 1068, nxpk= 25, iat=  -1, 383, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1= 397, 398, 351, 352, 353,
 &end
#
#    0 AMB  25-2:1069    24 THR  HB          5.50    (#   1069:25  Single Ambig)
 &rst
  ixpk= 1069, nxpk= 25, iat=  -1, 383, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1= 402, 403, 404, 406, 407, 408, 796, 797, 798, 800,
       801, 802,1861,1862,1863,1865,1866,1867,
 &end
#
#  127 ILE  QD1          25 LEU  HA          4.50    (#   1070:25  Unique         4.31, 5.01 A)
 &rst
  ixpk= 1070, nxpk= 25, iat=  -1, 395, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1932,1933,1934,
 &end
#
#   24 THR  MG2          25 LEU  HA          3.50    (#   1071:25  Unique         3.29, 4.32 A)
 &rst
  ixpk= 1071, nxpk= 25, iat=  -1, 395, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 385, 386, 387,
 &end
#
#   25 LEU  HB-          25 LEU  HA          2.80    (#   1072:25  Unique         2.52, 2.79 A)
 &rst
  ixpk= 1072, nxpk= 25, iat=  -1, 395, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 397, 398,
 &end
#
#   27 ALA  HN           25 LEU  HA          5.50    (#   1073:25  Unique         3.72, 3.89 A)
 &rst
  ixpk= 1073, nxpk= 25, iat= 419, 395, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   26 GLY  HN           25 LEU  HA          4.50    (#   1074:25  Unique         3.54, 3.56 A)
 &rst
  ixpk= 1074, nxpk= 25, iat= 412, 395, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   25 LEU  HN           25 LEU  HA          3.50    (#   1075:25  Unique         2.88, 2.89 A)
 &rst
  ixpk= 1075, nxpk= 25, iat= 393, 395, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   25 LEU  HN           25 LEU  HB+         4.50    (#   1076:25  Unique         2.31, 2.96 A)
 &rst
  ixpk= 1076, nxpk= 25, iat= 393,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 397, 398,
 &end
#
#   25 LEU  HN           25 LEU  HB-         4.50    (#   1077:25  Unique         2.31, 2.96 A)
 &rst
  ixpk= 1077, nxpk= 25, iat= 393,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 397, 398,
 &end
#
#   26 GLY  HN           25 LEU  HB+         5.50    (#   1078:25  Unique         2.54, 3.16 A)
 &rst
  ixpk= 1078, nxpk= 25, iat= 412,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 397, 398,
 &end
#
#   26 GLY  HN           25 LEU  HB-         5.50    (#   1079:25  Unique         2.54, 3.16 A)
 &rst
  ixpk= 1079, nxpk= 25, iat= 412,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 397, 398,
 &end
#
#   25 LEU  HA           25 LEU  HB+         3.50    (#   1080:25  Unique         2.52, 2.79 A)
 &rst
  ixpk= 1080, nxpk= 25, iat= 395,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 397, 398,
 &end
#
#   25 LEU  HG           25 LEU  HB+         3.50    (#   1081:25  Unique         2.51, 2.79 A)
 &rst
  ixpk= 1081, nxpk= 25, iat= 400,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 397, 398,
 &end
#
#   25 LEU  HG           25 LEU  HB-         4.50    (#   1082:25  Unique         2.51, 2.79 A)
 &rst
  ixpk= 1082, nxpk= 25, iat= 400,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 397, 398,
 &end
#
#    0 AMB  25-2:1083    25 LEU  HB-         2.80    (#   1083:25  Single Ambig)
 &rst
  ixpk= 1083, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1= 402, 403, 404, 406, 407, 408,1861,1862,1863,1865,
      1866,1867,
 igr2= 397, 398,
 &end
#
#    0 AMB  25-2:1084     0 AMB  25-1:1084   2.80    (#   1084:25  Double Ambig)
 &rst
  ixpk= 1084, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=1253,1254,1255,1257,1258,1259, 955, 956, 957,
 igr2=1248,1249,1248,1249,
 &end
#
#    0 AMB  25-2:1085     0 AMB  25-1:1085   4.50    (#   1085:25  Double Ambig)
 &rst
  ixpk= 1085, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=1932,1933,1934, 955, 956, 957,
 igr2= 400, 939, 940,
 &end
#
#   24 THR  MG2          25 LEU  HG          3.50    (#   1086:25  Unique         2.42, 3.60 A)
 &rst
  ixpk= 1086, nxpk= 25, iat=  -1, 400, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 385, 386, 387,
 &end
#
#   21 PHE  HB-          25 LEU  HG          5.50    (#   1087:25  Unique         2.91, 4.15 A)
 &rst
  ixpk= 1087, nxpk= 25, iat=  -1, 400, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 331, 332,
 &end
#
#    0 AMB  25-2:1090     0 AMB  25-1:1090   4.50    (#   1090:25  Double Ambig)
 &rst
  ixpk= 1090, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 992, 993, 379,
 igr2= 939, 940, 400,
 &end
#
#   21 PHE  HD           25 LEU  HG          5.50    (#   1091:25  Unique         2.44, 4.59 A)
 &rst
  ixpk= 1091, nxpk= 25, iat=  -1, 400, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 335, 343,
 &end
#
#  101 LEU  HN          100 GLN  HB+         4.50    (#   1092:25  Unique         3.26, 4.36 A)
 &rst
  ixpk= 1092, nxpk= 25, iat=1499,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1486,1487,
 &end
#
#   22 ALA  HN            0 AMB  25-1:1093   5.50    (#   1093:25  Single Ambig)
 &rst
  ixpk= 1093, nxpk= 25, iat= 347,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr2= 493, 494, 495, 497, 498, 499, 402, 403, 404, 406,
       407, 408,
 &end
#
#    0 AMB  25-2:1094     0 AMB  25-1:1094   2.80    (#   1094:25  Double Ambig)
 &rst
  ixpk= 1094, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.27, r4= 7.02,
 igr1= 351, 352, 353, 397, 398,1522,1523,
 igr2= 493, 494, 495, 497, 498, 499, 402, 403, 404, 406,
       407, 408,1646,1647,1648,1650,1651,1652,
 &end
#
#  120 LYS  HA           25 LEU  MDX         4.50    (#   1095:25  Unique         2.89, 5.13 A)
 &rst
  ixpk= 1095, nxpk= 25, iat=1796,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 402, 403, 404, 406, 407, 408,
 &end
#
#    0 AMB  25-2:1096    25 LEU  MDX         3.50    (#   1096:25  Single Ambig)
 &rst
  ixpk= 1096, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 331, 332,1807,1808,
 igr2= 402, 403, 404, 406, 407, 408,
 &end
#
#    0 AMB  25-2:1097     0 AMB  25-1:1097   3.50    (#   1097:25  Double Ambig)
 &rst
  ixpk= 1097, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.32, r4= 8.07,
 igr1= 385, 386, 387, 468, 469,1804,1805,
 igr2= 402, 403, 404, 406, 407, 408, 493, 494, 495, 497,
       498, 499,
 &end
#
#    0 AMB  25-2:1098     0 AMB  25-1:1098   2.80    (#   1098:25  Double Ambig)
 &rst
  ixpk= 1098, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.27, r4= 7.02,
 igr1=1585,1586, 361, 362, 400,1525,1526,
 igr2=1646,1647,1648,1650,1651,1652, 493, 494, 495, 497,
       498, 499, 402, 403, 404, 406, 407, 408,
 &end
#
#    0 AMB  25-2:1100     0 AMB  25-1:1100   3.50    (#   1100:25  Double Ambig)
 &rst
  ixpk= 1100, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 357,1871,
 igr2= 493, 494, 495, 497, 498, 499, 402, 403, 404, 406,
       407, 408,
 &end
#
#   25 LEU  HN           25 LEU  MDY         5.50    (#   1101:25  Unique         3.47, 4.33 A)
 &rst
  ixpk= 1101, nxpk= 25, iat= 393,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 402, 403, 404, 406, 407, 408,
 &end
#
#  124 GLU  HN           25 LEU  MDY         4.50    (#   1102:25  Unique         3.14, 5.07 A)
 &rst
  ixpk= 1102, nxpk= 25, iat=1871,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 402, 403, 404, 406, 407, 408,
 &end
#
#   21 PHE  HE           25 LEU  MDY         5.50    (#   1103:25  Unique         3.91, 6.81 A)
 &rst
  ixpk= 1103, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 337, 341,
 igr2= 402, 403, 404, 406, 407, 408,
 &end
#
#   25 LEU  HA           25 LEU  MDY         3.50    (#   1104:25  Unique         2.25, 3.96 A)
 &rst
  ixpk= 1104, nxpk= 25, iat= 395,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 402, 403, 404, 406, 407, 408,
 &end
#
#  109 LEU  HA          109 LEU  MDY         4.50    (#   1105:25  Unique         2.17, 3.73 A)
 &rst
  ixpk= 1105, nxpk= 25, iat=1608,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1615,1616,1617,1619,1620,1621,
 &end
#
#   22 ALA  HA           25 LEU  MDY         5.50    (#   1106:25  Unique         3.17, 5.52 A)
 &rst
  ixpk= 1106, nxpk= 25, iat= 349,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 402, 403, 404, 406, 407, 408,
 &end
#
#  124 GLU  HA           25 LEU  MDY         4.50    (#   1107:25  Unique         2.59, 4.57 A)
 &rst
  ixpk= 1107, nxpk= 25, iat=1873,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 402, 403, 404, 406, 407, 408,
 &end
#
#  113 ARG  HD-         109 LEU  MDY         5.50    (#   1108:25  Unique         2.37, 6.11 A)
 &rst
  ixpk= 1108, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1686,1687,
 igr2=1615,1616,1617,1619,1620,1621,
 &end
#
#  120 LYS  HA           25 LEU  MDY         4.50    (#   1109:25  Unique         2.89, 5.13 A)
 &rst
  ixpk= 1109, nxpk= 25, iat=1796,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 402, 403, 404, 406, 407, 408,
 &end
#
#  124 GLU  HG+          25 LEU  MDY         3.50    (#   1110:25  Unique         2.24, 3.47 A)
 &rst
  ixpk= 1110, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1878,1879,
 igr2= 402, 403, 404, 406, 407, 408,
 &end
#
#   25 LEU  HG           25 LEU  MDY         2.80    (#   1111:25  Unique         2.38, 2.66 A)
 &rst
  ixpk= 1111, nxpk= 25, iat= 400,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 402, 403, 404, 406, 407, 408,
 &end
#
#    0 AMB  25-2:1112   109 LEU  MDY         2.80    (#   1112:25  Single Ambig)
 &rst
  ixpk= 1112, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1610,1611,1613,
 igr2=1615,1616,1617,1619,1620,1621,
 &end
#
#    0 AMB  25-2:1113     0 AMB  25-1:1113   3.50    (#   1113:25  Double Ambig)
 &rst
  ixpk= 1113, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1801,1802, 679, 680, 681,
 igr2= 402, 403, 404, 406, 407, 408,1615,1616,1617,1619,
      1620,1621,
 &end
#
#    0 AMB  25-2:1114    26 GLY  HA-         2.80    (#   1114:25  Single Ambig)
 &rst
  ixpk= 1114, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 471, 472, 473,1932,1933,1934,
 igr2= 414, 415,
 &end
#
#   30 ILE  HG1+         26 GLY  HA-         3.50    (#   1115:25  Unique         2.16, 2.93 A)
 &rst
  ixpk= 1115, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 468, 469,
 igr2= 414, 415,
 &end
#
#    0 AMB  25-2:1116    26 GLY  HA-         3.50    (#   1116:25  Single Ambig)
 &rst
  ixpk= 1116, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 468, 469, 443, 444,
 igr2= 414, 415,
 &end
#
#    0 AMB  25-2:1117     0 AMB  25-1:1117   5.50    (#   1117:25  Double Ambig)
 &rst
  ixpk= 1117, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1= 446, 447, 440, 441,
 igr2= 414, 415, 414, 415,
 &end
#
#    0 AMB  25-2:1118    26 GLY  HA-         3.50    (#   1118:25  Single Ambig)
 &rst
  ixpk= 1118, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 446, 447, 440, 441,
 igr2= 414, 415,
 &end
#
#   29 LYS  HB+          26 GLY  HA+         5.50    (#   1119:25  Unique         2.54, 4.74 A)
 &rst
  ixpk= 1119, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 440, 441,
 igr2= 414, 415,
 &end
#
#    0 AMB  25-2:1120    26 GLY  HA-         4.50    (#   1120:25  Single Ambig)
 &rst
  ixpk= 1120, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1929,1930,1923,
 igr2= 414, 415,
 &end
#
#   27 ALA  HN           26 GLY  HA+         3.50    (#   1121:25  Unique         3.08, 3.34 A)
 &rst
  ixpk= 1121, nxpk= 25, iat= 419,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 414, 415,
 &end
#
#   60 GLN  HN           59 GLY  HA+         4.50    (#   1122:25  Unique         2.70, 3.33 A)
 &rst
  ixpk= 1122, nxpk= 25, iat= 881,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 876, 877,
 &end
#
#   27 ALA  HN           26 GLY  HA-         4.50    (#   1123:25  Unique         3.08, 3.34 A)
 &rst
  ixpk= 1123, nxpk= 25, iat= 419,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 414, 415,
 &end
#
#   60 GLN  HN           59 GLY  HA-         4.50    (#   1124:25  Unique         2.70, 3.33 A)
 &rst
  ixpk= 1124, nxpk= 25, iat= 881,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 876, 877,
 &end
#
#   25 LEU  HN           26 GLY  HA+         5.50    (#   1126:25  Unique         4.65, 4.99 A)
 &rst
  ixpk= 1126, nxpk= 25, iat= 393,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 414, 415,
 &end
#
#    0 AMB  25-2:1127    26 GLY  HA-         5.50    (#   1127:25  Single Ambig)
 &rst
  ixpk= 1127, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 393, 487,
 igr2= 414, 415,
 &end
#
#   28 GLY  HN           27 ALA  HA          3.50    (#   1128:25  Unique         2.16, 2.32 A)
 &rst
  ixpk= 1128, nxpk= 25, iat= 429, 421, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   29 LYS  HN           27 ALA  HA          4.50    (#   1129:25  Unique         3.44, 3.67 A)
 &rst
  ixpk= 1129, nxpk= 25, iat= 436, 421, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   30 ILE  HN           27 ALA  HA          5.50    (#   1130:25  Unique         4.09, 4.31 A)
 &rst
  ixpk= 1130, nxpk= 25, iat= 458, 421, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   28 GLY  HA-          27 ALA  HA          4.50    (#   1131:25  Unique         4.39, 4.51 A)
 &rst
  ixpk= 1131, nxpk= 25, iat=  -1, 421, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 431, 432,
 &end
#
#   27 ALA  MB           27 ALA  HA          2.80    (#   1132:25  Unique         2.46, 2.67 A)
 &rst
  ixpk= 1132, nxpk= 25, iat=  -1, 421, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 423, 424, 425,
 &end
#
#   28 GLY  HN           27 ALA  MB          5.50    (#   1134:25  Unique         2.51, 3.87 A)
 &rst
  ixpk= 1134, nxpk= 25, iat= 429,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 423, 424, 425,
 &end
#
#   28 GLY  HA-          27 ALA  MB          4.50    (#   1136:25  Unique         4.27, 5.30 A)
 &rst
  ixpk= 1136, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 431, 432,
 igr2= 423, 424, 425,
 &end
#
#   29 LYS  HG+          28 GLY  HA+         4.50    (#   1139:25  Unique         3.53, 5.15 A)
 &rst
  ixpk= 1139, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 443, 444,
 igr2= 431, 432,
 &end
#
#   27 ALA  MB           28 GLY  HA+         4.50    (#   1140:25  Unique         4.27, 5.30 A)
 &rst
  ixpk= 1140, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 423, 424, 425,
 igr2= 431, 432,
 &end
#
#   29 LYS  HG+          28 GLY  HA-         5.50    (#   1141:25  Unique         3.53, 5.15 A)
 &rst
  ixpk= 1141, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 443, 444,
 igr2= 431, 432,
 &end
#
#   27 ALA  MB           28 GLY  HA-         5.50    (#   1142:25  Unique         4.27, 5.30 A)
 &rst
  ixpk= 1142, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 423, 424, 425,
 igr2= 431, 432,
 &end
#
#    1 MET  ME           28 GLY  HA+         4.50    (#   1143:25  Unique         2.82, 4.93 A)
 &rst
  ixpk= 1143, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=  15,  16,  17,
 igr2= 431, 432,
 &end
#
#    1 MET  ME           28 GLY  HA-         3.50    (#   1144:25  Unique         2.82, 4.93 A)
 &rst
  ixpk= 1144, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=  15,  16,  17,
 igr2= 431, 432,
 &end
#
#   30 ILE  HN           28 GLY  HA+         5.50    (#   1149:25  Unique         4.64, 5.14 A)
 &rst
  ixpk= 1149, nxpk= 25, iat= 458,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 431, 432,
 &end
#
#   29 LYS  HN           28 GLY  HA+         4.50    (#   1150:25  Unique         2.84, 3.36 A)
 &rst
  ixpk= 1150, nxpk= 25, iat= 436,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 431, 432,
 &end
#
#   29 LYS  HN           28 GLY  HA-         3.50    (#   1151:25  Unique         2.84, 3.36 A)
 &rst
  ixpk= 1151, nxpk= 25, iat= 436,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 431, 432,
 &end
#
#   28 GLY  HN           28 GLY  HA+         5.50    (#   1152:25  Unique         2.26, 2.59 A)
 &rst
  ixpk= 1152, nxpk= 25, iat= 429,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 431, 432,
 &end
#
#   28 GLY  HN           28 GLY  HA-         5.50    (#   1153:25  Unique         2.26, 2.59 A)
 &rst
  ixpk= 1153, nxpk= 25, iat= 429,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 431, 432,
 &end
#
#   29 LYS  HN           29 LYS  HA          4.50    (#   1154:25  Unique         2.92, 2.99 A)
 &rst
  ixpk= 1154, nxpk= 25, iat= 436, 438, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   30 ILE  HN           29 LYS  HA          4.50    (#   1155:25  Unique         3.56, 3.59 A)
 &rst
  ixpk= 1155, nxpk= 25, iat= 458, 438, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:1156    29 LYS  HA          4.50    (#   1156:25  Single Ambig)
 &rst
  ixpk= 1156, nxpk= 25, iat=  -1, 438, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 449, 450,  34,  35,
 &end
#
#    1 MET  HG-          29 LYS  HA          5.50    (#   1157:25  Unique         4.01, 5.94 A)
 &rst
  ixpk= 1157, nxpk= 25, iat=  -1, 438, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  11,  12,
 &end
#
#   29 LYS  HB+          29 LYS  HA          2.80    (#   1158:25  Unique         2.32, 2.60 A)
 &rst
  ixpk= 1158, nxpk= 25, iat=  -1, 438, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 440, 441,
 &end
#
#   29 LYS  HB-          29 LYS  HA          2.80    (#   1159:25  Unique         2.32, 2.60 A)
 &rst
  ixpk= 1159, nxpk= 25, iat=  -1, 438, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 440, 441,
 &end
#
#   30 ILE  QG2          29 LYS  HA          5.50    (#   1160:25  Unique         3.98, 5.01 A)
 &rst
  ixpk= 1160, nxpk= 25, iat=  -1, 438, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 464, 465, 466,
 &end
#
#   29 LYS  HG+          29 LYS  HB+         2.80    (#   1161:25  Unique         2.39, 2.76 A)
 &rst
  ixpk= 1161, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 443, 444,
 igr2= 440, 441,
 &end
#
#   29 LYS  HG+          29 LYS  HB-         2.80    (#   1162:25  Unique         2.39, 2.76 A)
 &rst
  ixpk= 1162, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 443, 444,
 igr2= 440, 441,
 &end
#
#   29 LYS  HE+          29 LYS  HB-         5.50    (#   1163:25  Unique         2.22, 4.11 A)
 &rst
  ixpk= 1163, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 449, 450,
 igr2= 440, 441,
 &end
#
#   26 GLY  HA+          29 LYS  HB-         5.50    (#   1164:25  Unique         2.54, 4.74 A)
 &rst
  ixpk= 1164, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 414, 415,
 igr2= 440, 441,
 &end
#
#   29 LYS  HA           29 LYS  HB-         3.50    (#   1165:25  Unique         2.32, 2.60 A)
 &rst
  ixpk= 1165, nxpk= 25, iat= 438,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 440, 441,
 &end
#
#   30 ILE  HN           29 LYS  HB-         4.50    (#   1166:25  Unique         2.37, 3.58 A)
 &rst
  ixpk= 1166, nxpk= 25, iat= 458,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 440, 441,
 &end
#
#   29 LYS  HN           29 LYS  HB-         3.50    (#   1167:25  Unique         2.71, 3.41 A)
 &rst
  ixpk= 1167, nxpk= 25, iat= 436,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 440, 441,
 &end
#
#   29 LYS  HN           29 LYS  HB+         3.50    (#   1168:25  Unique         2.71, 3.41 A)
 &rst
  ixpk= 1168, nxpk= 25, iat= 436,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 440, 441,
 &end
#
#  122 ARG  HN          123 VAL  MGX         5.50    (#   1169:25  Unique         3.97, 6.27 A)
 &rst
  ixpk= 1169, nxpk= 25, iat=1831,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1861,1862,1863,1865,1866,1867,
 &end
#
#   24 THR  HN          123 VAL  MGX         5.50    (#   1170:25  Unique         5.57, 7.34 A)
 &rst
  ixpk= 1170, nxpk= 25, iat= 379,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1861,1862,1863,1865,1866,1867,
 &end
#
#    0 AMB  25-2:1171     0 AMB  25-1:1171   4.50    (#   1171:25  Double Ambig)
 &rst
  ixpk= 1171, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1=1993,1994,1818,
 igr2= 443, 444,1861,1862,1863,1865,1866,1867,
 &end
#
#    0 AMB  25-2:1172     0 AMB  25-1:1172   3.50    (#   1172:25  Double Ambig)
 &rst
  ixpk= 1172, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1=1857, 431, 432,
 igr2=1861,1862,1863,1865,1866,1867, 443, 444,
 &end
#
#  122 ARG  HA          123 VAL  MGX         5.50    (#   1173:25  Unique         5.17, 6.84 A)
 &rst
  ixpk= 1173, nxpk= 25, iat=1833,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1861,1862,1863,1865,1866,1867,
 &end
#
#   29 LYS  HB+          29 LYS  HG+         2.80    (#   1175:25  Unique         2.39, 2.76 A)
 &rst
  ixpk= 1175, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 440, 441,
 igr2= 443, 444,
 &end
#
#    0 AMB  25-2:1177     0 AMB  25-1:1177   5.50    (#   1177:25  Double Ambig)
 &rst
  ixpk= 1177, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 438,1972,
 igr2= 446, 447,1958,1959,
 &end
#
#    0 AMB  25-2:1180     0 AMB  25-1:1180   5.50    (#   1180:25  Double Ambig)
 &rst
  ixpk= 1180, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1972, 438,
 igr2=  34,  35, 449, 450,  34,  35,
 &end
#
#   30 ILE  QG2          30 ILE  HA          2.80    (#   1181:25  Unique         2.23, 3.01 A)
 &rst
  ixpk= 1181, nxpk= 25, iat=  -1, 460, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 464, 465, 466,
 &end
#
#    0 AMB  25-2:1182    30 ILE  HA          5.50    (#   1182:25  Single Ambig)
 &rst
  ixpk= 1182, nxpk= 25, iat=  -1, 460, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1=  71,  72,  73,  75,  76,  77,1983,1984,1985,
 &end
#
#   30 ILE  HG1+         30 ILE  HA          4.50    (#   1183:25  Unique         3.72, 3.78 A)
 &rst
  ixpk= 1183, nxpk= 25, iat=  -1, 460, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 468, 469,
 &end
#
#    0 AMB  25-2:1184    30 ILE  HA          3.50    (#   1184:25  Single Ambig)
 &rst
  ixpk= 1184, nxpk= 25, iat=  -1, 460, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
 igr1= 468, 469, 481, 482, 483,
 &end
#
#    0 AMB  25-2:1185    30 ILE  HA          2.80    (#   1185:25  Single Ambig)
 &rst
  ixpk= 1185, nxpk= 25, iat=  -1, 460, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 462,   8,   9,
 &end
#
#    1 MET  HG+          30 ILE  HA          4.50    (#   1186:25  Unique         2.19, 3.68 A)
 &rst
  ixpk= 1186, nxpk= 25, iat=  -1, 460, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=  11,  12,
 &end
#
#   30 ILE  HN           30 ILE  HA          3.50    (#   1187:25  Unique         2.94, 2.96 A)
 &rst
  ixpk= 1187, nxpk= 25, iat= 458, 460, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    2 LYS  HN           30 ILE  HA          3.50    (#   1188:25  Unique         2.27, 2.81 A)
 &rst
  ixpk= 1188, nxpk= 25, iat=  21, 460, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   31 ALA  HN           30 ILE  HA          2.80    (#   1189:25  Unique         2.19, 2.26 A)
 &rst
  ixpk= 1189, nxpk= 25, iat= 477, 460, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   30 ILE  HN           30 ILE  HB          5.50    (#   1190:25  Unique         3.82, 3.88 A)
 &rst
  ixpk= 1190, nxpk= 25, iat= 458, 462, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   26 GLY  HA+          30 ILE  HB          5.50    (#   1191:25  Unique         4.71, 5.35 A)
 &rst
  ixpk= 1191, nxpk= 25, iat=  -1, 462, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 414, 415,
 &end
#
#   30 ILE  HG1-         30 ILE  HB          2.80    (#   1192:25  Unique         2.41, 2.74 A)
 &rst
  ixpk= 1192, nxpk= 25, iat=  -1, 462, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 468, 469,
 &end
#
#   30 ILE  HN           30 ILE  HG1-        3.50    (#   1193:25  Unique         2.29, 2.76 A)
 &rst
  ixpk= 1193, nxpk= 25, iat= 458,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 468, 469,
 &end
#
#   30 ILE  HN           30 ILE  HG1+        3.50    (#   1194:25  Unique         2.29, 2.76 A)
 &rst
  ixpk= 1194, nxpk= 25, iat= 458,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 468, 469,
 &end
#
#    0 AMB  25-2:1195    30 ILE  HG1-        5.50    (#   1195:25  Single Ambig)
 &rst
  ixpk= 1195, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 460, 489,
 igr2= 468, 469,
 &end
#
#    0 AMB  25-2:1196     0 AMB  25-1:1196   5.50    (#   1196:25  Double Ambig)
 &rst
  ixpk= 1196, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 460, 489,
 igr2= 468, 469, 468, 469,
 &end
#
#   26 GLY  HA+          30 ILE  HG1-        3.50    (#   1197:25  Unique         2.16, 2.93 A)
 &rst
  ixpk= 1197, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 414, 415,
 igr2= 468, 469,
 &end
#
#    0 AMB  25-2:1198     0 AMB  25-1:1198   3.50    (#   1198:25  Double Ambig)
 &rst
  ixpk= 1198, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 414, 415,1546,1547,
 igr2= 468, 469,1549,1550,
 &end
#
#  104 PRO  HA          104 PRO  HG-         4.50    (#   1199:25  Unique         3.72, 3.95 A)
 &rst
  ixpk= 1199, nxpk= 25, iat=1555,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1549,1550,
 &end
#
#  104 PRO  HA          104 PRO  HG+         4.50    (#   1200:25  Unique         3.72, 3.95 A)
 &rst
  ixpk= 1200, nxpk= 25, iat=1555,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1549,1550,
 &end
#
#   26 GLY  HA-          30 ILE  HG1-        4.50    (#   1201:25  Unique         2.16, 2.93 A)
 &rst
  ixpk= 1201, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 414, 415,
 igr2= 468, 469,
 &end
#
#    0 AMB  25-2:1202     0 AMB  25-1:1202   3.50    (#   1202:25  Double Ambig)
 &rst
  ixpk= 1202, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1658, 414, 415,
 igr2=1549,1550, 468, 469,
 &end
#
#    0 AMB  25-2:1203     0 AMB  25-1:1203   2.80    (#   1203:25  Double Ambig)
 &rst
  ixpk= 1203, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 462, 440, 441,
 igr2= 468, 469, 468, 469,
 &end
#
#   30 ILE  QD1          30 ILE  HG1+        2.80    (#   1206:25  Unique         2.27, 2.66 A)
 &rst
  ixpk= 1206, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 471, 472, 473,
 igr2= 468, 469,
 &end
#
#   30 ILE  QD1          30 ILE  HG1-        2.80    (#   1207:25  Unique         2.27, 2.66 A)
 &rst
  ixpk= 1207, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 471, 472, 473,
 igr2= 468, 469,
 &end
#
#    0 AMB  25-2:1208    30 ILE  QD1         5.50    (#   1208:25  Single Ambig)
 &rst
  ixpk= 1208, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=  65, 393,
 igr2= 471, 472, 473,
 &end
#
#    0 AMB  25-2:1209    30 ILE  QD1         4.50    (#   1209:25  Single Ambig)
 &rst
  ixpk= 1209, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 477, 357,
 igr2= 471, 472, 473,
 &end
#
#   30 ILE  HN           30 ILE  QD1         4.50    (#   1210:25  Unique         4.53, 4.86 A)
 &rst
  ixpk= 1210, nxpk= 25, iat= 458,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 471, 472, 473,
 &end
#
#    0 AMB  25-2:1211     0 AMB  25-1:1211   5.50    (#   1211:25  Double Ambig)
 &rst
  ixpk= 1211, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 615, 412,
 igr2= 710, 711, 712, 471, 472, 473,
 &end
#
#    0 AMB  25-2:1213    30 ILE  QD1         4.50    (#   1213:25  Single Ambig)
 &rst
  ixpk= 1213, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 460,  45, 489,
 igr2= 471, 472, 473,
 &end
#
#    0 AMB  25-2:1214     0 AMB  25-1:1214   3.50    (#   1214:25  Double Ambig)
 &rst
  ixpk= 1214, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 440, 441, 446, 447, 606, 607,
 igr2= 471, 472, 473, 710, 711, 712,
 &end
#
#   30 ILE  HG1-         30 ILE  QD1         2.80    (#   1215:25  Unique         2.27, 2.66 A)
 &rst
  ixpk= 1215, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 468, 469,
 igr2= 471, 472, 473,
 &end
#
#    0 AMB  25-2:1216    30 ILE  QD1         2.80    (#   1216:25  Single Ambig)
 &rst
  ixpk= 1216, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1= 468, 469, 493, 494, 495, 497, 498, 499,
 igr2= 471, 472, 473,
 &end
#
#    4 VAL  MGX          30 ILE  QD1         5.50    (#   1217:25  Unique         2.15, 4.49 A)
 &rst
  ixpk= 1217, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=  71,  72,  73,  75,  76,  77,
 igr2= 471, 472, 473,
 &end
#
#   30 ILE  HG1-         30 ILE  QG2         2.80    (#   1218:25  Unique         2.52, 3.58 A)
 &rst
  ixpk= 1218, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 468, 469,
 igr2= 464, 465, 466,
 &end
#
#    2 LYS  HB-          30 ILE  QG2         3.50    (#   1219:25  Unique         2.12, 3.52 A)
 &rst
  ixpk= 1219, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=  25,  26,
 igr2= 464, 465, 466,
 &end
#
#   30 ILE  HB           30 ILE  QG2         2.80    (#   1220:25  Unique         2.36, 2.64 A)
 &rst
  ixpk= 1220, nxpk= 25, iat= 462,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 464, 465, 466,
 &end
#
#   29 LYS  HE+          30 ILE  QG2         5.50    (#   1221:25  Unique         5.37, 7.56 A)
 &rst
  ixpk= 1221, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 449, 450,
 igr2= 464, 465, 466,
 &end
#
#    2 LYS  HA           30 ILE  QG2         5.50    (#   1222:25  Unique         3.95, 5.19 A)
 &rst
  ixpk= 1222, nxpk= 25, iat=  23,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 464, 465, 466,
 &end
#
#   29 LYS  HA           30 ILE  QG2         5.50    (#   1223:25  Unique         3.98, 5.01 A)
 &rst
  ixpk= 1223, nxpk= 25, iat= 438,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 464, 465, 466,
 &end
#
#   30 ILE  HN           30 ILE  QG2         5.50    (#   1224:25  Unique         3.17, 4.00 A)
 &rst
  ixpk= 1224, nxpk= 25, iat= 458,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 464, 465, 466,
 &end
#
#    2 LYS  HN           30 ILE  QG2         4.50    (#   1225:25  Unique         2.16, 3.49 A)
 &rst
  ixpk= 1225, nxpk= 25, iat=  21,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 464, 465, 466,
 &end
#
#   31 ALA  HN           30 ILE  QG2         4.50    (#   1226:25  Unique         3.76, 4.48 A)
 &rst
  ixpk= 1226, nxpk= 25, iat= 477,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 464, 465, 466,
 &end
#
#   32 VAL  HN           31 ALA  HA          2.80    (#   1227:25  Unique         2.23, 2.30 A)
 &rst
  ixpk= 1227, nxpk= 25, iat= 487, 479, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   32 VAL  MGX          31 ALA  HA          4.50    (#   1228:25  Unique         3.27, 5.67 A)
 &rst
  ixpk= 1228, nxpk= 25, iat=  -1, 479, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 493, 494, 495, 497, 498, 499,
 &end
#
#    3 LYS  HN           31 ALA  MB          5.50    (#   1229:25  Unique         4.41, 5.81 A)
 &rst
  ixpk= 1229, nxpk= 25, iat=  43,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 481, 482, 483,
 &end
#
#   21 PHE  HD           24 THR  MG2         4.50    (#   1230:25  Unique         2.75, 5.57 A)
 &rst
  ixpk= 1230, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 335, 343,
 igr2= 385, 386, 387,
 &end
#
#   33 THR  HB           31 ALA  MB          5.50    (#   1233:25  Unique         6.19, 6.89 A)
 &rst
  ixpk= 1233, nxpk= 25, iat= 507,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 481, 482, 483,
 &end
#
#   55 ILE  QD1          24 THR  MG2         2.80    (#   1236:25  Unique         2.52, 4.64 A)
 &rst
  ixpk= 1236, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 826, 827, 828,
 igr2= 385, 386, 387,
 &end
#
#    4 VAL  MGX          32 VAL  HA          5.50    (#   1237:25  Unique         3.20, 4.44 A)
 &rst
  ixpk= 1237, nxpk= 25, iat=  -1, 489, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=  71,  72,  73,  75,  76,  77,
 &end
#
#    4 VAL  MGY          32 VAL  HA          3.50    (#   1238:25  Unique         3.20, 4.44 A)
 &rst
  ixpk= 1238, nxpk= 25, iat=  -1, 489, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=  71,  72,  73,  75,  76,  77,
 &end
#
#   32 VAL  MGX          32 VAL  HA          3.50    (#   1239:25  Unique         2.32, 3.21 A)
 &rst
  ixpk= 1239, nxpk= 25, iat=  -1, 489, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 493, 494, 495, 497, 498, 499,
 &end
#
#   32 VAL  MGY          32 VAL  HA          2.80    (#   1240:25  Unique         2.32, 3.21 A)
 &rst
  ixpk= 1240, nxpk= 25, iat=  -1, 489, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 493, 494, 495, 497, 498, 499,
 &end
#
#    0 AMB  25-2:1241    32 VAL  HA          5.50    (#   1241:25  Single Ambig)
 &rst
  ixpk= 1241, nxpk= 25, iat=  -1, 489, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1= 481, 482, 483, 468, 469,
 &end
#
#    4 VAL  HB           32 VAL  HA          3.50    (#   1242:25  Unique         2.06, 2.22 A)
 &rst
  ixpk= 1242, nxpk= 25, iat=  69, 489, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   32 VAL  HB           32 VAL  HA          3.50    (#   1243:25  Unique         2.41, 2.96 A)
 &rst
  ixpk= 1243, nxpk= 25, iat= 491, 489, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:1245    32 VAL  HA          4.50    (#   1245:25  Single Ambig)
 &rst
  ixpk= 1245, nxpk= 25, iat=  -1, 489, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 507, 521, 522,
 &end
#
#    6 PHE  HD           32 VAL  HA          5.50    (#   1246:25  Unique         4.52, 6.75 A)
 &rst
  ixpk= 1246, nxpk= 25, iat=  -1, 489, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 106, 114,
 &end
#
#    0 AMB  25-2:1247    32 VAL  HA          2.80    (#   1247:25  Single Ambig)
 &rst
  ixpk= 1247, nxpk= 25, iat=  -1, 489, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 503,  65,
 &end
#
#   23 LYS  HE+          32 VAL  HB          5.50    (#   1248:25  Unique         2.89, 4.73 A)
 &rst
  ixpk= 1248, nxpk= 25, iat=  -1, 491, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 370, 371,
 &end
#
#   22 ALA  HN           32 VAL  MGX         5.50    (#   1250:25  Unique         4.08, 5.48 A)
 &rst
  ixpk= 1250, nxpk= 25, iat= 347,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 493, 494, 495, 497, 498, 499,
 &end
#
#    0 AMB  25-2:1252    42 VAL  MGY         3.50    (#   1252:25  Single Ambig)
 &rst
  ixpk= 1252, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 628, 865,
 igr2= 632, 633, 634, 636, 637, 638,
 &end
#
#    0 AMB  25-2:1253    32 VAL  MGX         3.50    (#   1253:25  Single Ambig)
 &rst
  ixpk= 1253, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 307, 521, 522,
 igr2= 493, 494, 495, 497, 498, 499,
 &end
#
#   47 ILE  HA           42 VAL  MGY         5.50    (#   1254:25  Unique         4.19, 6.08 A)
 &rst
  ixpk= 1254, nxpk= 25, iat= 699,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 632, 633, 634, 636, 637, 638,
 &end
#
#   23 LYS  HE+          32 VAL  MGX         4.50    (#   1255:25  Unique         3.09, 5.81 A)
 &rst
  ixpk= 1255, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 370, 371,
 igr2= 493, 494, 495, 497, 498, 499,
 &end
#
#    0 AMB  25-2:1256     0 AMB  25-1:1256   2.80    (#   1256:25  Double Ambig)
 &rst
  ixpk= 1256, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 630, 361, 362,
 igr2= 632, 633, 634, 636, 637, 638, 493, 494, 495, 497,
       498, 499,
 &end
#
#    0 AMB  25-2:1257     0 AMB  25-1:1257   2.80    (#   1257:25  Double Ambig)
 &rst
  ixpk= 1257, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.99, r4= 6.74,
 igr1= 351, 352, 353, 268, 269, 691, 692, 693,
 igr2= 493, 494, 495, 497, 498, 499, 632, 633, 634, 636,
       637, 638,
 &end
#
#   33 THR  HB           33 THR  HA          3.50    (#   1258:25  Unique         3.01, 3.03 A)
 &rst
  ixpk= 1258, nxpk= 25, iat= 507, 505, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   34 SER  HA           33 THR  HA          5.50    (#   1259:25  Unique         4.53, 5.20 A)
 &rst
  ixpk= 1259, nxpk= 25, iat= 519, 505, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   35 SER  HN           33 THR  HB          5.50    (#   1260:25  Unique         3.56, 4.01 A)
 &rst
  ixpk= 1260, nxpk= 25, iat= 528, 507, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   34 SER  HN           33 THR  HB          4.50    (#   1261:25  Unique         2.25, 2.76 A)
 &rst
  ixpk= 1261, nxpk= 25, iat= 517, 507, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:1262    33 THR  HB          4.50    (#   1262:25  Single Ambig)
 &rst
  ixpk= 1262, nxpk= 25, iat=  -1, 507, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 489, 530,  45,
 &end
#
#   33 THR  HA           33 THR  HB          3.50    (#   1264:25  Unique         3.01, 3.03 A)
 &rst
  ixpk= 1264, nxpk= 25, iat= 505, 507, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   33 THR  MG2          33 THR  HB          2.80    (#   1267:25  Unique         2.44, 2.69 A)
 &rst
  ixpk= 1267, nxpk= 25, iat=  -1, 507, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 509, 510, 511,
 &end
#
#    5 MET  ME           33 THR  HB          4.50    (#   1268:25  Unique         2.34, 3.62 A)
 &rst
  ixpk= 1268, nxpk= 25, iat=  -1, 507, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=  92,  93,  94,
 &end
#
#    0 AMB  25-2:1270     0 AMB  25-1:1270   4.50    (#   1270:25  Double Ambig)
 &rst
  ixpk= 1270, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=1606, 528,
 igr2=1615,1616,1617,1619,1620,1621, 509, 510, 511,
 &end
#
#   33 THR  HB           33 THR  MG2         2.80    (#   1272:25  Unique         2.44, 2.69 A)
 &rst
  ixpk= 1272, nxpk= 25, iat= 507,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 509, 510, 511,
 &end
#
#   35 SER  HN           34 SER  HA          3.50    (#   1273:25  Unique         2.09, 2.58 A)
 &rst
  ixpk= 1273, nxpk= 25, iat= 528, 519, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   34 SER  HN           34 SER  HA          3.50    (#   1274:25  Unique         2.19, 2.41 A)
 &rst
  ixpk= 1274, nxpk= 25, iat= 517, 519, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    6 PHE  HD           34 SER  HA          5.50    (#   1275:25  Unique         4.58, 6.38 A)
 &rst
  ixpk= 1275, nxpk= 25, iat=  -1, 519, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 106, 114,
 &end
#
#    0 AMB  25-2:1276    34 SER  HA          5.50    (#   1276:25  Single Ambig)
 &rst
  ixpk= 1276, nxpk= 25, iat=  -1, 519, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 530, 489,
 &end
#
#   34 SER  HB-          34 SER  HA          2.80    (#   1277:25  Unique         2.32, 2.70 A)
 &rst
  ixpk= 1277, nxpk= 25, iat=  -1, 519, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 521, 522,
 &end
#
#    5 MET  HB-          34 SER  HA          4.50    (#   1278:25  Unique         2.19, 3.64 A)
 &rst
  ixpk= 1278, nxpk= 25, iat=  -1, 519, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=  85,  86,
 &end
#
#    5 MET  HB+          34 SER  HA          5.50    (#   1279:25  Unique         2.19, 3.64 A)
 &rst
  ixpk= 1279, nxpk= 25, iat=  -1, 519, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  85,  86,
 &end
#
#    5 MET  HG+          34 SER  HA          5.50    (#   1280:25  Unique         2.95, 4.36 A)
 &rst
  ixpk= 1280, nxpk= 25, iat=  -1, 519, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  88,  89,
 &end
#
#   33 THR  MG2          34 SER  HA          5.50    (#   1281:25  Unique         3.91, 5.47 A)
 &rst
  ixpk= 1281, nxpk= 25, iat=  -1, 519, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 509, 510, 511,
 &end
#
#   34 SER  HN           34 SER  HB-         3.50    (#   1284:25  Unique         2.90, 3.64 A)
 &rst
  ixpk= 1284, nxpk= 25, iat= 517,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 521, 522,
 &end
#
#   34 SER  HN           34 SER  HB+         4.50    (#   1285:25  Unique         2.90, 3.64 A)
 &rst
  ixpk= 1285, nxpk= 25, iat= 517,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 521, 522,
 &end
#
#   34 SER  HA           34 SER  HB+         3.50    (#   1286:25  Unique         2.32, 2.70 A)
 &rst
  ixpk= 1286, nxpk= 25, iat= 519,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 521, 522,
 &end
#
#   34 SER  HA           34 SER  HB-         3.50    (#   1287:25  Unique         2.32, 2.70 A)
 &rst
  ixpk= 1287, nxpk= 25, iat= 519,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 521, 522,
 &end
#
#    5 MET  HB-          34 SER  HB+         5.50    (#   1290:25  Unique         4.28, 5.98 A)
 &rst
  ixpk= 1290, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=  85,  86,
 igr2= 521, 522,
 &end
#
#    5 MET  HB-          34 SER  HB-         5.50    (#   1291:25  Unique         4.28, 5.98 A)
 &rst
  ixpk= 1291, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=  85,  86,
 igr2= 521, 522,
 &end
#
#   35 SER  HB-          35 SER  HA          3.50    (#   1292:25  Unique         2.18, 2.68 A)
 &rst
  ixpk= 1292, nxpk= 25, iat=  -1, 530, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 532, 533,
 &end
#
#   36 GLY  HN           35 SER  HA          3.50    (#   1295:25  Unique         2.18, 2.39 A)
 &rst
  ixpk= 1295, nxpk= 25, iat= 539, 530, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   35 SER  HN           35 SER  HB+         5.50    (#   1297:25  Double Ambig)
 &rst
  ixpk= 1297, nxpk= 25, iat= 528,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 532, 533,
 &end
#
#   35 SER  HN           35 SER  HB-         4.50    (#   1298:25  Single Ambig)
 &rst
  ixpk= 1298, nxpk= 25, iat= 528,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 532, 533,
 &end
#
#   36 GLY  HN           35 SER  HB+         3.50    (#   1299:25  Unique         2.20, 3.26 A)
 &rst
  ixpk= 1299, nxpk= 25, iat= 539,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 532, 533,
 &end
#
#   36 GLY  HN           35 SER  HB-         4.50    (#   1300:25  Unique         2.20, 3.26 A)
 &rst
  ixpk= 1300, nxpk= 25, iat= 539,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 532, 533,
 &end
#
#   68 PHE  HE           35 SER  HB+         4.50    (#   1302:25  Unique         2.18, 4.91 A)
 &rst
  ixpk= 1302, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1007,1011,
 igr2= 532, 533,
 &end
#
#   68 PHE  HE           35 SER  HB-         4.50    (#   1303:25  Unique         2.18, 4.91 A)
 &rst
  ixpk= 1303, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1007,1011,
 igr2= 532, 533,
 &end
#
#    0 AMB  25-2:1304    35 SER  HB-         4.50    (#   1304:25  Single Ambig)
 &rst
  ixpk= 1304, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1009,1005,1013,
 igr2= 532, 533,
 &end
#
#   35 SER  HA           35 SER  HB+         3.50    (#   1305:25  Unique         2.18, 2.68 A)
 &rst
  ixpk= 1305, nxpk= 25, iat= 530,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 532, 533,
 &end
#
#   35 SER  HA           35 SER  HB-         3.50    (#   1306:25  Unique         2.18, 2.68 A)
 &rst
  ixpk= 1306, nxpk= 25, iat= 530,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 532, 533,
 &end
#
#   65 ILE  HA           35 SER  HB+         3.50    (#   1310:25  Unique         2.10, 2.59 A)
 &rst
  ixpk= 1310, nxpk= 25, iat= 951,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 532, 533,
 &end
#
#   65 ILE  HA           35 SER  HB-         3.50    (#   1311:25  Unique         2.10, 2.59 A)
 &rst
  ixpk= 1311, nxpk= 25, iat= 951,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 532, 533,
 &end
#
#   65 ILE  HB           35 SER  HB+         5.50    (#   1314:25  Unique         2.20, 2.94 A)
 &rst
  ixpk= 1314, nxpk= 25, iat= 953,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 532, 533,
 &end
#
#   65 ILE  HB           35 SER  HB-         5.50    (#   1315:25  Unique         2.20, 2.94 A)
 &rst
  ixpk= 1315, nxpk= 25, iat= 953,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 532, 533,
 &end
#
#   65 ILE  HG1-         35 SER  HB+         4.50    (#   1316:25  Unique         2.22, 3.78 A)
 &rst
  ixpk= 1316, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 959, 960,
 igr2= 532, 533,
 &end
#
#   65 ILE  QD1          35 SER  HB+         5.50    (#   1320:25  Unique         2.40, 4.47 A)
 &rst
  ixpk= 1320, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 962, 963, 964,
 igr2= 532, 533,
 &end
#
#   65 ILE  QD1          35 SER  HB-         5.50    (#   1321:25  Unique         2.40, 4.47 A)
 &rst
  ixpk= 1321, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 962, 963, 964,
 igr2= 532, 533,
 &end
#
#    0 AMB  25-2:1323     0 AMB  25-1:1323   3.50    (#   1323:25  Double Ambig)
 &rst
  ixpk= 1323, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 539, 546,
 igr2= 541, 542, 541, 542,
 &end
#
#   37 LEU  HB+          36 GLY  HA+         5.50    (#   1326:25  Unique         4.34, 5.37 A)
 &rst
  ixpk= 1326, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 550, 551,
 igr2= 541, 542,
 &end
#
#   37 LEU  HA           36 GLY  HA+         5.50    (#   1327:25  Unique         4.32, 4.51 A)
 &rst
  ixpk= 1327, nxpk= 25, iat= 548,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 541, 542,
 &end
#
#   37 LEU  HN           37 LEU  HB+         4.50    (#   1328:25  Unique         2.36, 3.23 A)
 &rst
  ixpk= 1328, nxpk= 25, iat= 546,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 550, 551,
 &end
#
#   38 GLU  HN           37 LEU  HB+         5.50    (#   1329:25  Unique         1.81, 3.31 A)
 &rst
  ixpk= 1329, nxpk= 25, iat= 565,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 550, 551,
 &end
#
#   37 LEU  HN           37 LEU  HB-         4.50    (#   1330:25  Unique         2.36, 3.23 A)
 &rst
  ixpk= 1330, nxpk= 25, iat= 546,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 550, 551,
 &end
#
#   37 LEU  HA           37 LEU  HB-         3.50    (#   1331:25  Unique         2.45, 2.81 A)
 &rst
  ixpk= 1331, nxpk= 25, iat= 548,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 550, 551,
 &end
#
#   37 LEU  HA           37 LEU  HB+         3.50    (#   1332:25  Unique         2.45, 2.81 A)
 &rst
  ixpk= 1332, nxpk= 25, iat= 548,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 550, 551,
 &end
#
#   37 LEU  HN           37 LEU  HG          3.50    (#   1333:25  Unique         2.83, 3.46 A)
 &rst
  ixpk= 1333, nxpk= 25, iat= 546, 553, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   37 LEU  HA           37 LEU  HG          3.50    (#   1335:25  Unique         2.27, 2.86 A)
 &rst
  ixpk= 1335, nxpk= 25, iat= 548, 553, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   36 GLY  HN           37 LEU  MDX         5.50    (#   1340:25  Unique         4.89, 7.43 A)
 &rst
  ixpk= 1340, nxpk= 25, iat= 539,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 555, 556, 557, 559, 560, 561,
 &end
#
#  120 LYS  HD-         120 LYS  HG+         2.80    (#   1343:25  Unique         2.42, 2.77 A)
 &rst
  ixpk= 1343, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1804,1805,
 igr2=1801,1802,
 &end
#
#   37 LEU  HG           37 LEU  MDY         2.80    (#   1344:25  Unique         2.36, 2.67 A)
 &rst
  ixpk= 1344, nxpk= 25, iat= 553,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 555, 556, 557, 559, 560, 561,
 &end
#
#    0 AMB  25-2:1345     0 AMB  25-1:1345   3.50    (#   1345:25  Double Ambig)
 &rst
  ixpk= 1345, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.24, r4= 6.99,
 igr1=1875,1876, 572, 573,
 igr2=1801,1802, 555, 556, 557, 559, 560, 561,
 &end
#
#   87 PRO  HD+          37 LEU  MDY         4.50    (#   1349:25  Unique         3.06, 6.22 A)
 &rst
  ixpk= 1349, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1264,1265,
 igr2= 555, 556, 557, 559, 560, 561,
 &end
#
#    0 AMB  25-2:1350     0 AMB  25-1:1350   5.50    (#   1350:25  Double Ambig)
 &rst
  ixpk= 1350, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 337, 341,1816,
 igr2=1801,1802,1801,1802,
 &end
#
#   37 LEU  HN           37 LEU  MDY         4.50    (#   1351:25  Unique         2.24, 5.08 A)
 &rst
  ixpk= 1351, nxpk= 25, iat= 546,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 555, 556, 557, 559, 560, 561,
 &end
#
#   41 ARG  HD+          41 ARG  HA          4.50    (#   1356:25  Unique         2.15, 4.33 A)
 &rst
  ixpk= 1356, nxpk= 25, iat=  -1, 604, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 612, 613,
 &end
#
#   38 GLU  HB-          38 GLU  HA          2.80    (#   1360:25  Unique         2.42, 2.76 A)
 &rst
  ixpk= 1360, nxpk= 25, iat=  -1, 567, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 569, 570,
 &end
#
#   41 ARG  HB+          41 ARG  HA          2.80    (#   1361:25  Unique         2.21, 2.85 A)
 &rst
  ixpk= 1361, nxpk= 25, iat=  -1, 604, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 606, 607,
 &end
#
#   42 VAL  MGY          41 ARG  HA          4.50    (#   1362:25  Unique         2.90, 4.99 A)
 &rst
  ixpk= 1362, nxpk= 25, iat=  -1, 604, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 632, 633, 634, 636, 637, 638,
 &end
#
#   61 THR  MG2          41 ARG  HA          5.50    (#   1363:25  Unique         2.82, 5.31 A)
 &rst
  ixpk= 1363, nxpk= 25, iat=  -1, 604, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 904, 905, 906,
 &end
#
#   65 ILE  HB           64 PRO  HB-         5.50    (#   1365:25  Unique         5.29, 5.89 A)
 &rst
  ixpk= 1365, nxpk= 25, iat= 953,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 942, 943,
 &end
#
#    0 AMB  25-2:1366     0 AMB  25-1:1366   4.50    (#   1366:25  Double Ambig)
 &rst
  ixpk= 1366, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 550, 551, 550, 551,
 igr2= 569, 570, 942, 943,
 &end
#
#   20 GLY  HA-          23 LYS  HB-         5.50    (#   1368:25  Unique         2.46, 5.18 A)
 &rst
  ixpk= 1368, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 322, 323,
 igr2= 361, 362,
 &end
#
#   64 PRO  HD+          64 PRO  HB-         5.50    (#   1369:25  Unique         2.77, 3.66 A)
 &rst
  ixpk= 1369, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 936, 937,
 igr2= 942, 943,
 &end
#
#   84 VAL  HA           84 VAL  HB          2.80    (#   1371:25  Unique         2.36, 2.50 A)
 &rst
  ixpk= 1371, nxpk= 25, iat=1216,1218, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   39 SER  HN           38 GLU  HB+         5.50    (#   1375:25  Unique         1.84, 3.43 A)
 &rst
  ixpk= 1375, nxpk= 25, iat= 580,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 569, 570,
 &end
#
#   66 GLU  HN           64 PRO  HB-         4.50    (#   1376:25  Unique         2.44, 3.41 A)
 &rst
  ixpk= 1376, nxpk= 25, iat= 968,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 942, 943,
 &end
#
#   89 GLU  HN           88 PRO  HB-         4.50    (#   1377:25  Unique         2.79, 3.79 A)
 &rst
  ixpk= 1377, nxpk= 25, iat=1291,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1284,1285,
 &end
#
#   38 GLU  HN           38 GLU  HG-         3.50    (#   1379:25  Unique         2.24, 3.31 A)
 &rst
  ixpk= 1379, nxpk= 25, iat= 565,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 572, 573,
 &end
#
#   99 TRP  HE1          97 GLU  HG+         5.50    (#   1380:25  Unique         3.95, 5.11 A)
 &rst
  ixpk= 1380, nxpk= 25, iat=1468,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1438,1439,
 &end
#
#    0 AMB  25-2:1383     0 AMB  25-1:1383   4.50    (#   1383:25  Double Ambig)
 &rst
  ixpk= 1383, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 743, 813,
 igr2= 767, 768, 767, 768,
 &end
#
#  125 ASN  HD2-        121 GLU  HG-         5.50    (#   1385:25  Unique         5.44, 6.78 A)
 &rst
  ixpk= 1385, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1895,1896,
 igr2=1823,1824,
 &end
#
#    0 AMB  25-2:1387     0 AMB  25-1:1387   5.50    (#   1387:25  Double Ambig)
 &rst
  ixpk= 1387, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1162, 120,
 igr2= 230, 231, 230, 231,
 &end
#
#    0 AMB  25-2:1388     0 AMB  25-1:1388   2.80    (#   1388:25  Double Ambig)
 &rst
  ixpk= 1388, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 228,1818,
 igr2= 230, 231,1823,1824,
 &end
#
#   95 ILE  HG1-         97 GLU  HG+         2.80    (#   1389:25  Unique         2.28, 3.30 A)
 &rst
  ixpk= 1389, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1402,1403,
 igr2=1438,1439,
 &end
#
#    0 AMB  25-2:1390     0 AMB  25-1:1390   2.80    (#   1390:25  Double Ambig)
 &rst
  ixpk= 1390, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 233, 234,1402,1403,
 igr2= 230, 231,1438,1439,
 &end
#
#   77 ILE  QD1          97 GLU  HG+         3.50    (#   1391:25  Unique         2.43, 3.84 A)
 &rst
  ixpk= 1391, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1143,1144,1145,
 igr2=1438,1439,
 &end
#
#   15 SER  HN           14 ARG  HB-         4.50    (#   1394:25  Unique         1.98, 3.27 A)
 &rst
  ixpk= 1394, nxpk= 25, iat= 250,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 230, 231,
 &end
#
#    0 AMB  25-2:1396     0 AMB  25-1:1396   2.80    (#   1396:25  Double Ambig)
 &rst
  ixpk= 1396, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=1435,1436,1503,1504, 550, 551,
 igr2=1438,1439, 230, 231, 572, 573,
 &end
#
#   39 SER  HN           39 SER  HA          5.50    (#   1397:25  Unique         2.21, 2.72 A)
 &rst
  ixpk= 1397, nxpk= 25, iat= 580, 582, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   39 SER  HB+          39 SER  HA          2.80    (#   1400:25  Unique         2.17, 2.59 A)
 &rst
  ixpk= 1400, nxpk= 25, iat=  -1, 582, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 584, 585,
 &end
#
#   39 SER  HN           39 SER  HB+         3.50    (#   1405:25  Unique         2.37, 3.49 A)
 &rst
  ixpk= 1405, nxpk= 25, iat= 580,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 584, 585,
 &end
#
#   11 ASN  HD2+         39 SER  HB+         5.50    (#   1410:25  Unique         3.43, 6.07 A)
 &rst
  ixpk= 1410, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 199, 200,
 igr2= 584, 585,
 &end
#
#    0 AMB  25-2:1416     0 AMB  25-1:1416   2.80    (#   1416:25  Double Ambig)
 &rst
  ixpk= 1416, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 582, 900,
 igr2= 584, 585, 584, 585,
 &end
#
#   11 ASN  HB-          39 SER  HB+         5.50    (#   1417:25  Unique         2.20, 4.18 A)
 &rst
  ixpk= 1417, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 194, 195,
 igr2= 584, 585,
 &end
#
#   38 GLU  HB-          39 SER  HB+         4.50    (#   1418:25  Unique         3.90, 5.74 A)
 &rst
  ixpk= 1418, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 569, 570,
 igr2= 584, 585,
 &end
#
#   40 SER  HB+          40 SER  HA          2.80    (#   1419:25  Unique         2.32, 2.69 A)
 &rst
  ixpk= 1419, nxpk= 25, iat=  -1, 593, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 595, 596,
 &end
#
#   40 SER  HA           40 SER  HB+         2.80    (#   1420:25  Unique         2.32, 2.69 A)
 &rst
  ixpk= 1420, nxpk= 25, iat= 593,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 595, 596,
 &end
#
#  127 ILE  QG2         131 SER  HB+         3.50    (#   1423:25  Unique         2.65, 4.05 A)
 &rst
  ixpk= 1423, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1925,1926,1927,
 igr2=1993,1994,
 &end
#
#  127 ILE  QG2         131 SER  HB-         3.50    (#   1424:25  Unique         2.65, 4.05 A)
 &rst
  ixpk= 1424, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1925,1926,1927,
 igr2=1993,1994,
 &end
#
#   41 ARG  HD+          41 ARG  HB-         3.50    (#   1425:25  Unique         2.32, 3.06 A)
 &rst
  ixpk= 1425, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 612, 613,
 igr2= 606, 607,
 &end
#
#   41 ARG  HD+          41 ARG  HB+         2.80    (#   1426:25  Unique         2.32, 3.06 A)
 &rst
  ixpk= 1426, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 612, 613,
 igr2= 606, 607,
 &end
#
#   91 VAL  HN           91 VAL  HB          3.50    (#   1427:25  Unique         3.60, 3.63 A)
 &rst
  ixpk= 1427, nxpk= 25, iat=1330,1334, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   16 GLN  HA           16 GLN  HG+         5.50    (#   1431:25  Unique         2.35, 3.45 A)
 &rst
  ixpk= 1431, nxpk= 25, iat= 263,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 268, 269,
 &end
#
#   16 GLN  HA           16 GLN  HG-         5.50    (#   1432:25  Unique         2.35, 3.45 A)
 &rst
  ixpk= 1432, nxpk= 25, iat= 263,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 268, 269,
 &end
#
#   42 VAL  HN           41 ARG  HB+         4.50    (#   1433:25  Unique         2.17, 3.36 A)
 &rst
  ixpk= 1433, nxpk= 25, iat= 626,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 606, 607,
 &end
#
#    2 LYS  HN            2 LYS  HG+         3.50    (#   1434:25  Unique         1.82, 2.51 A)
 &rst
  ixpk= 1434, nxpk= 25, iat=  21,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  28,  29,
 &end
#
#    0 AMB  25-2:1435   101 LEU  HG          2.80    (#   1435:25  Single Ambig)
 &rst
  ixpk= 1435, nxpk= 25, iat=  -1,1506, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1784,1785,1786,1788,1789,1790,1508,1509,1510,1512,
      1513,1514,
 &end
#
#   37 LEU  MDY          37 LEU  HG          2.80    (#   1436:25  Unique         2.36, 2.67 A)
 &rst
  ixpk= 1436, nxpk= 25, iat=  -1, 553, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 555, 556, 557, 559, 560, 561,
 &end
#
#   41 ARG  HA           41 ARG  HD+         4.50    (#   1439:25  Unique         2.15, 4.33 A)
 &rst
  ixpk= 1439, nxpk= 25, iat= 604,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 612, 613,
 &end
#
#   42 VAL  HN           41 ARG  HD+         5.50    (#   1441:25  Unique         3.39, 4.76 A)
 &rst
  ixpk= 1441, nxpk= 25, iat= 626,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 612, 613,
 &end
#
#   42 VAL  MGY          42 VAL  HA          3.50    (#   1442:25  Unique         2.42, 3.58 A)
 &rst
  ixpk= 1442, nxpk= 25, iat=  -1, 628, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 632, 633, 634, 636, 637, 638,
 &end
#
#    0 AMB  25-2:1443    42 VAL  HA          5.50    (#   1443:25  Single Ambig)
 &rst
  ixpk= 1443, nxpk= 25, iat=  -1, 628, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 265, 266, 268, 269,
 &end
#
#   42 VAL  HB           42 VAL  HA          2.80    (#   1444:25  Unique         2.28, 2.38 A)
 &rst
  ixpk= 1444, nxpk= 25, iat= 630, 628, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   43 HIS  HA           42 VAL  HA          4.50    (#   1446:25  Unique         4.17, 4.36 A)
 &rst
  ixpk= 1446, nxpk= 25, iat= 644, 628, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   16 GLN  HA           42 VAL  HA          5.50    (#   1447:25  Unique         3.28, 4.82 A)
 &rst
  ixpk= 1447, nxpk= 25, iat= 263, 628, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   11 ASN  HD2-         42 VAL  HA          3.50    (#   1448:25  Unique         3.21, 4.01 A)
 &rst
  ixpk= 1448, nxpk= 25, iat=  -1, 628, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 199, 200,
 &end
#
#    0 AMB  25-2:1449    42 VAL  HA          4.50    (#   1449:25  Single Ambig)
 &rst
  ixpk= 1449, nxpk= 25, iat=  -1, 628, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 199, 200, 273, 274,
 &end
#
#    0 AMB  25-2:1450    42 VAL  HA          4.50    (#   1450:25  Single Ambig)
 &rst
  ixpk= 1450, nxpk= 25, iat=  -1, 628, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 655, 273, 274,
 &end
#
#   42 VAL  HN           42 VAL  HA          3.50    (#   1451:25  Unique         2.78, 2.88 A)
 &rst
  ixpk= 1451, nxpk= 25, iat= 626, 628, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   43 HIS  HN           42 VAL  HB          5.50    (#   1452:25  Unique         2.16, 2.65 A)
 &rst
  ixpk= 1452, nxpk= 25, iat= 642, 630, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   42 VAL  HA           42 VAL  HB          2.80    (#   1453:25  Unique         2.28, 2.38 A)
 &rst
  ixpk= 1453, nxpk= 25, iat= 628, 630, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  25-2:1455    42 VAL  MGX         2.80    (#   1455:25  Single Ambig)
 &rst
  ixpk= 1455, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 628, 865,
 igr2= 632, 633, 634, 636, 637, 638,
 &end
#
#   60 GLN  HN           42 VAL  MGX         4.50    (#   1457:25  Unique         2.86, 4.93 A)
 &rst
  ixpk= 1457, nxpk= 25, iat= 881,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 632, 633, 634, 636, 637, 638,
 &end
#
#   41 ARG  HB+          42 VAL  MGX         3.50    (#   1458:25  Unique         3.76, 6.00 A)
 &rst
  ixpk= 1458, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 606, 607,
 igr2= 632, 633, 634, 636, 637, 638,
 &end
#
#   42 VAL  HB           42 VAL  MGX         2.80    (#   1459:25  Unique         2.32, 2.65 A)
 &rst
  ixpk= 1459, nxpk= 25, iat= 630,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 632, 633, 634, 636, 637, 638,
 &end
#
#   60 GLN  HB+          42 VAL  MGX         3.50    (#   1460:25  Unique         2.17, 5.04 A)
 &rst
  ixpk= 1460, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 885, 886,
 igr2= 632, 633, 634, 636, 637, 638,
 &end
#
#   11 ASN  HB+          42 VAL  MGX         5.50    (#   1461:25  Unique         4.24, 7.92 A)
 &rst
  ixpk= 1461, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 194, 195,
 igr2= 632, 633, 634, 636, 637, 638,
 &end
#
#    0 AMB  25-2:1462    42 VAL  MGX         5.50    (#   1462:25  Single Ambig)
 &rst
  ixpk= 1462, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1= 669, 876, 877,
 igr2= 632, 633, 634, 636, 637, 638,
 &end
#
#   11 ASN  HD2+         42 VAL  MGX         5.50    (#   1463:25  Unique         2.27, 5.09 A)
 &rst
  ixpk= 1463, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 199, 200,
 igr2= 632, 633, 634, 636, 637, 638,
 &end
#
#    0 AMB  25-2:1464    42 VAL  MGX         5.50    (#   1464:25  Single Ambig)
 &rst
  ixpk= 1464, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 697, 687,
 igr2= 632, 633, 634, 636, 637, 638,
 &end
#
#   43 HIS  HN           42 VAL  MGX         4.50    (#   1465:25  Unique         2.42, 4.36 A)
 &rst
  ixpk= 1465, nxpk= 25, iat= 642,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 632, 633, 634, 636, 637, 638,
 &end
#
#   46 ALA  HN           42 VAL  MGY         5.50    (#   1466:25  Unique         4.50, 7.02 A)
 &rst
  ixpk= 1466, nxpk= 25, iat= 687,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 632, 633, 634, 636, 637, 638,
 &end
#
#   60 GLN  HN           42 VAL  MGY         3.50    (#   1467:25  Unique         2.86, 4.93 A)
 &rst
  ixpk= 1467, nxpk= 25, iat= 881,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 632, 633, 634, 636, 637, 638,
 &end
#
#   11 ASN  HD2+         42 VAL  MGY         5.50    (#   1468:25  Unique         2.27, 5.09 A)
 &rst
  ixpk= 1468, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 199, 200,
 igr2= 632, 633, 634, 636, 637, 638,
 &end
#
#   11 ASN  HD2-         42 VAL  MGY         5.50    (#   1469:25  Unique         2.27, 5.09 A)
 &rst
  ixpk= 1469, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 199, 200,
 igr2= 632, 633, 634, 636, 637, 638,
 &end
#
#   50 MET  HG+          42 VAL  MGY         5.50    (#   1470:25  Unique         5.35, 7.26 A)
 &rst
  ixpk= 1470, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 750, 751,
 igr2= 632, 633, 634, 636, 637, 638,
 &end
#
#   30 ILE  HG1-         32 VAL  MGX         4.50    (#   1471:25  Unique         3.05, 6.30 A)
 &rst
  ixpk= 1471, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 468, 469,
 igr2= 493, 494, 495, 497, 498, 499,
 &end
#
#    4 VAL  MGX          32 VAL  MGX         5.50    (#   1472:25  Unique         2.59, 5.37 A)
 &rst
  ixpk= 1472, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1=  71,  72,  73,  75,  76,  77,
 igr2= 493, 494, 495, 497, 498, 499,
 &end
#
#   43 HIS  HN           43 HIS  HA          3.50    (#   1473:25  Unique         2.13, 2.85 A)
 &rst
  ixpk= 1473, nxpk= 25, iat= 642, 644, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   44 PRO  HA           43 HIS  HA          5.50    (#   1475:25  Unique         4.23, 4.40 A)
 &rst
  ixpk= 1475, nxpk= 25, iat= 669, 644, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   44 PRO  HD+          43 HIS  HA          2.80    (#   1476:25  Unique         2.24, 2.47 A)
 &rst
  ixpk= 1476, nxpk= 25, iat=  -1, 644, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 660, 661,
 &end
#
#   43 HIS  HB+          43 HIS  HA          3.50    (#   1477:25  Unique         2.37, 2.79 A)
 &rst
  ixpk= 1477, nxpk= 25, iat=  -1, 644, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 646, 647,
 &end
#
#   44 PRO  HD-          43 HIS  HA          2.80    (#   1478:25  Unique         2.24, 2.47 A)
 &rst
  ixpk= 1478, nxpk= 25, iat=  -1, 644, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 660, 661,
 &end
#
#    0 AMB  25-2:1479    43 HIS  HA          4.50    (#   1479:25  Single Ambig)
 &rst
  ixpk= 1479, nxpk= 25, iat=  -1, 644, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 663, 664, 666, 667,
 &end
#
#    0 AMB  25-2:1480    43 HIS  HA          4.50    (#   1480:25  Single Ambig)
 &rst
  ixpk= 1480, nxpk= 25, iat=  -1, 644, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
 igr1= 691, 692, 693, 609, 610, 265, 266,
 &end
#
#    0 AMB  25-2:1481    43 HIS  HA          5.50    (#   1481:25  Single Ambig)
 &rst
  ixpk= 1481, nxpk= 25, iat=  -1, 644, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 632, 633, 634, 636, 637, 638, 710, 711, 712,
 &end
#
#   46 ALA  MB           43 HIS  HB-         3.50    (#   1482:25  Unique         2.28, 4.00 A)
 &rst
  ixpk= 1482, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 691, 692, 693,
 igr2= 646, 647,
 &end
#
#   50 MET  HG-          17 MET  HG+         4.50    (#   1483:25  Unique         2.17, 3.58 A)
 &rst
  ixpk= 1483, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 750, 751,
 igr2= 285, 286,
 &end
#
#   44 PRO  HD-          43 HIS  HB+         5.50    (#   1484:25  Unique         2.14, 4.16 A)
 &rst
  ixpk= 1484, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 660, 661,
 igr2= 646, 647,
 &end
#
#   44 PRO  HD-          43 HIS  HB-         5.50    (#   1485:25  Unique         2.14, 4.16 A)
 &rst
  ixpk= 1485, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 660, 661,
 igr2= 646, 647,
 &end
#
#   44 PRO  HD+          43 HIS  HB+         3.50    (#   1487:25  Unique         2.14, 4.16 A)
 &rst
  ixpk= 1487, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 660, 661,
 igr2= 646, 647,
 &end
#
#   44 PRO  HD+          43 HIS  HB-         4.50    (#   1488:25  Unique         2.14, 4.16 A)
 &rst
  ixpk= 1488, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 660, 661,
 igr2= 646, 647,
 &end
#
#   43 HIS  HA           43 HIS  HB+         3.50    (#   1489:25  Unique         2.37, 2.79 A)
 &rst
  ixpk= 1489, nxpk= 25, iat= 644,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 646, 647,
 &end
#
#   43 HIS  HA           43 HIS  HB-         3.50    (#   1490:25  Unique         2.37, 2.79 A)
 &rst
  ixpk= 1490, nxpk= 25, iat= 644,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 646, 647,
 &end
#
#    0 AMB  25-2:1493     0 AMB  25-1:1493   4.50    (#   1493:25  Double Ambig)
 &rst
  ixpk= 1493, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1=1666,1670, 273, 274, 655,
 igr2= 646, 647, 646, 647, 646, 647,
 &end
#
#    0 AMB  25-2:1494    43 HIS  HB-         4.50    (#   1494:25  Single Ambig)
 &rst
  ixpk= 1494, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1666,1670, 273, 274, 655,
 igr2= 646, 647,
 &end
#
#   46 ALA  HN           43 HIS  HB+         5.50    (#   1495:25  Unique         2.38, 3.58 A)
 &rst
  ixpk= 1495, nxpk= 25, iat= 687,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 646, 647,
 &end
#
#   46 ALA  HN           43 HIS  HB-         4.50    (#   1496:25  Unique         2.38, 3.58 A)
 &rst
  ixpk= 1496, nxpk= 25, iat= 687,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 646, 647,
 &end
#
#   43 HIS  HN           43 HIS  HB+         3.50    (#   1497:25  Unique         2.15, 2.77 A)
 &rst
  ixpk= 1497, nxpk= 25, iat= 642,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 646, 647,
 &end
#
#   43 HIS  HN           43 HIS  HB-         3.50    (#   1498:25  Unique         2.15, 2.77 A)
 &rst
  ixpk= 1498, nxpk= 25, iat= 642,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 646, 647,
 &end
#
#   49 MET  HN           45 THR  HA          5.50    (#   1499:25  Unique         4.10, 4.28 A)
 &rst
  ixpk= 1499, nxpk= 25, iat= 726, 675, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  25-2:1501    45 THR  HA          3.50    (#   1501:25  Single Ambig)
 &rst
  ixpk= 1501, nxpk= 25, iat=  -1, 675, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 733, 734, 666, 667,
 &end
#
#    0 AMB  25-2:1502    45 THR  HA          3.50    (#   1502:25  Single Ambig)
 &rst
  ixpk= 1502, nxpk= 25, iat=  -1, 675, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 737, 738, 739, 666, 667, 663, 664, 701,
 &end
#
#   46 ALA  MB           45 THR  HA          5.50    (#   1503:25  Unique         5.85, 6.17 A)
 &rst
  ixpk= 1503, nxpk= 25, iat=  -1, 675, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 691, 692, 693,
 &end
#
#   48 ALA  MB           45 THR  HA          2.80    (#   1504:25  Unique         2.38, 3.46 A)
 &rst
  ixpk= 1504, nxpk= 25, iat=  -1, 675, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 720, 721, 722,
 &end
#
#    0 AMB  25-2:1505    45 THR  HA          5.50    (#   1505:25  Single Ambig)
 &rst
  ixpk= 1505, nxpk= 25, iat=  -1, 675, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1=1615,1616,1617,1619,1620,1621, 710, 711, 712,
 &end
#
#   45 THR  MG2          45 THR  HA          2.80    (#   1506:25  Unique         2.40, 3.06 A)
 &rst
  ixpk= 1506, nxpk= 25, iat=  -1, 675, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 679, 680, 681,
 &end
#
#   45 THR  MG2          45 THR  HB          2.80    (#   1507:25  Unique         2.36, 2.66 A)
 &rst
  ixpk= 1507, nxpk= 25, iat=  -1, 677, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 679, 680, 681,
 &end
#
#    0 AMB  25-2:1508    45 THR  HB          5.50    (#   1508:25  Single Ambig)
 &rst
  ixpk= 1508, nxpk= 25, iat=  -1, 677, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 646, 647,1660,1661,
 &end
#
#   45 THR  HA           45 THR  HB          2.80    (#   1509:25  Unique         2.80, 2.96 A)
 &rst
  ixpk= 1509, nxpk= 25, iat= 675, 677, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   46 ALA  HN           45 THR  HB          5.50    (#   1512:25  Unique         2.75, 3.06 A)
 &rst
  ixpk= 1512, nxpk= 25, iat= 687, 677, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   45 THR  HN           45 THR  HB          3.50    (#   1513:25  Unique         2.51, 2.78 A)
 &rst
  ixpk= 1513, nxpk= 25, iat= 673, 677, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   49 MET  HN           45 THR  MG2         5.50    (#   1514:25  Unique         4.14, 5.29 A)
 &rst
  ixpk= 1514, nxpk= 25, iat= 726,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 679, 680, 681,
 &end
#
#   45 THR  HN           45 THR  MG2         5.50    (#   1515:25  Unique         3.40, 4.40 A)
 &rst
  ixpk= 1515, nxpk= 25, iat= 673,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 679, 680, 681,
 &end
#
#    0 AMB  25-2:1516    45 THR  MG2         5.50    (#   1516:25  Single Ambig)
 &rst
  ixpk= 1516, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 687, 716,
 igr2= 679, 680, 681,
 &end
#
#  112 PHE  HE           45 THR  MG2         4.50    (#   1517:25  Unique         3.00, 4.59 A)
 &rst
  ixpk= 1517, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1666,1670,
 igr2= 679, 680, 681,
 &end
#
#  112 PHE  HD           45 THR  MG2         3.50    (#   1518:25  Unique         3.08, 5.20 A)
 &rst
  ixpk= 1518, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1664,1672,
 igr2= 679, 680, 681,
 &end
#
#  109 LEU  HA           45 THR  MG2         5.50    (#   1520:25  Unique         3.95, 5.03 A)
 &rst
  ixpk= 1520, nxpk= 25, iat=1608,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 679, 680, 681,
 &end
#
#   45 THR  HA           45 THR  MG2         2.80    (#   1521:25  Unique         2.40, 3.06 A)
 &rst
  ixpk= 1521, nxpk= 25, iat= 675,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 679, 680, 681,
 &end
#
#   45 THR  HB           45 THR  MG2         2.80    (#   1522:25  Unique         2.36, 2.66 A)
 &rst
  ixpk= 1522, nxpk= 25, iat= 677,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 679, 680, 681,
 &end
#
#    0 AMB  25-2:1523    45 THR  MG2         5.50    (#   1523:25  Single Ambig)
 &rst
  ixpk= 1523, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1660,1661, 646, 647,
 igr2= 679, 680, 681,
 &end
#
#  112 PHE  HB-          45 THR  MG2         5.50    (#   1524:25  Unique         4.64, 5.83 A)
 &rst
  ixpk= 1524, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1660,1661,
 igr2= 679, 680, 681,
 &end
#
#   49 MET  HG+          45 THR  MG2         3.50    (#   1525:25  Unique         2.39, 4.05 A)
 &rst
  ixpk= 1525, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 733, 734,
 igr2= 679, 680, 681,
 &end
#
#   49 MET  ME           45 THR  MG2         3.50    (#   1526:25  Unique         2.40, 4.12 A)
 &rst
  ixpk= 1526, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 737, 738, 739,
 igr2= 679, 680, 681,
 &end
#
#   46 ALA  MB           45 THR  MG2         5.50    (#   1527:25  Unique         5.52, 7.18 A)
 &rst
  ixpk= 1527, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 691, 692, 693,
 igr2= 679, 680, 681,
 &end
#
#    0 AMB  25-2:1528    45 THR  MG2         3.50    (#   1528:25  Single Ambig)
 &rst
  ixpk= 1528, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,
 igr1= 720, 721, 722,1610,1611,
 igr2= 679, 680, 681,
 &end
#
#  109 LEU  MDX          45 THR  MG2         3.50    (#   1530:25  Unique         2.56, 4.95 A)
 &rst
  ixpk= 1530, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1615,1616,1617,1619,1620,1621,
 igr2= 679, 680, 681,
 &end
#
#   46 ALA  MB           46 ALA  HA          2.80    (#   1531:25  Unique         2.46, 2.73 A)
 &rst
  ixpk= 1531, nxpk= 25, iat=  -1, 689, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 691, 692, 693,
 &end
#
#    0 AMB  25-2:1532    46 ALA  HA          5.50    (#   1532:25  Single Ambig)
 &rst
  ixpk= 1532, nxpk= 25, iat=  -1, 689, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1= 679, 680, 681,1552,1553,
 &end
#
#    0 AMB  25-2:1533    46 ALA  HA          5.50    (#   1533:25  Single Ambig)
 &rst
  ixpk= 1533, nxpk= 25, iat=  -1, 689, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1= 857, 858, 859, 707, 708,
 &end
#
#    0 AMB  25-2:1534    46 ALA  HA          5.50    (#   1534:25  Single Ambig)
 &rst
  ixpk= 1534, nxpk= 25, iat=  -1, 689, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 737, 738, 739, 701,
 &end
#
#    0 AMB  25-2:1535    46 ALA  HA          4.50    (#   1535:25  Single Ambig)
 &rst
  ixpk= 1535, nxpk= 25, iat=  -1, 689, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 730, 731, 750, 751,
 &end
#
#  112 PHE  HE           46 ALA  HA          3.50    (#   1537:25  Unique         2.35, 4.46 A)
 &rst
  ixpk= 1537, nxpk= 25, iat=  -1, 689, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1666,1670,
 &end
#
#   49 MET  HN           46 ALA  HA          4.50    (#   1538:25  Unique         2.95, 3.07 A)
 &rst
  ixpk= 1538, nxpk= 25, iat= 726, 689, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   43 HIS  HN           46 ALA  MB          5.50    (#   1540:25  Unique         2.98, 3.92 A)
 &rst
  ixpk= 1540, nxpk= 25, iat= 642,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 691, 692, 693,
 &end
#
#   49 MET  HN           46 ALA  MB          5.50    (#   1541:25  Unique         4.96, 5.34 A)
 &rst
  ixpk= 1541, nxpk= 25, iat= 726,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 691, 692, 693,
 &end
#
#   17 MET  HN           46 ALA  MB          5.50    (#   1542:25  Unique         4.88, 6.43 A)
 &rst
  ixpk= 1542, nxpk= 25, iat= 278,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 691, 692, 693,
 &end
#
#    0 AMB  25-2:1544    46 ALA  MB          5.50    (#   1544:25  Single Ambig)
 &rst
  ixpk= 1544, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 673, 743,
 igr2= 691, 692, 693,
 &end
#
#    0 AMB  25-2:1545    46 ALA  MB          3.50    (#   1545:25  Single Ambig)
 &rst
  ixpk= 1545, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1666,1670, 655,
 igr2= 691, 692, 693,
 &end
#
#   16 GLN  HE2+         46 ALA  MB          4.50    (#   1546:25  Unique         2.97, 4.50 A)
 &rst
  ixpk= 1546, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 273, 274,
 igr2= 691, 692, 693,
 &end
#
#   46 ALA  HA           46 ALA  MB          2.80    (#   1548:25  Unique         2.46, 2.73 A)
 &rst
  ixpk= 1548, nxpk= 25, iat= 689,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 691, 692, 693,
 &end
#
#  105 ASP  HB-          46 ALA  MB          5.50    (#   1550:25  Unique         5.49, 7.53 A)
 &rst
  ixpk= 1550, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1563,1564,
 igr2= 691, 692, 693,
 &end
#
#    0 AMB  25-2:1551    46 ALA  MB          4.50    (#   1551:25  Single Ambig)
 &rst
  ixpk= 1551, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 285, 286, 282, 283,
 igr2= 691, 692, 693,
 &end
#
#    0 AMB  25-2:1552    46 ALA  MB          4.50    (#   1552:25  Single Ambig)
 &rst
  ixpk= 1552, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=1549,1550, 265, 266,1552,1553,
 igr2= 691, 692, 693,
 &end
#
#  104 PRO  HB+          46 ALA  MB          5.50    (#   1553:25  Unique         3.36, 6.64 A)
 &rst
  ixpk= 1553, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1552,1553,
 igr2= 691, 692, 693,
 &end
#
#   50 MET  HN           47 ILE  HA          5.50    (#   1554:25  Unique         3.26, 3.39 A)
 &rst
  ixpk= 1554, nxpk= 25, iat= 743, 699, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  130 ILE  HA          127 ILE  HA          5.50    (#   1556:25  Unique         5.67, 5.72 A)
 &rst
  ixpk= 1556, nxpk= 25, iat=1972,1921, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  25-2:1557     0 AMB  25-1:1557   4.50    (#   1557:25  Double Ambig)
 &rst
  ixpk= 1557, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1940, 414, 415, 669,
 igr2=1921, 699,
 &end
#
#    0 AMB  25-2:1558     0 AMB  25-1:1558   3.50    (#   1558:25  Double Ambig)
 &rst
  ixpk= 1558, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1993,1994, 689, 865,
 igr2=1921, 699,
 &end
#
#    2 LYS  HE+         127 ILE  HA          5.50    (#   1559:25  Unique         5.74, 6.29 A)
 &rst
  ixpk= 1559, nxpk= 25, iat=  -1,1921, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  34,  35,
 &end
#
#    0 AMB  25-2:1561     0 AMB  25-1:1561   2.80    (#   1561:25  Double Ambig)
 &rst
  ixpk= 1561, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.11, r4= 4.86,
 igr1=1929,1930, 747, 748,1923,
 igr2=1921, 699,
 &end
#
#    0 AMB  25-2:1562    47 ILE  HA          4.50    (#   1562:25  Single Ambig)
 &rst
  ixpk= 1562, nxpk= 25, iat=  -1, 699, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1= 767, 768, 764, 765, 848,
 &end
#
#   50 MET  HB+          47 ILE  HA          4.50    (#   1563:25  Unique         2.39, 3.51 A)
 &rst
  ixpk= 1563, nxpk= 25, iat=  -1, 699, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 747, 748,
 &end
#
#  130 ILE  HG1+        127 ILE  HA          3.50    (#   1564:25  Unique         2.10, 2.65 A)
 &rst
  ixpk= 1564, nxpk= 25, iat=  -1,1921, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1980,1981,
 &end
#
#   47 ILE  HG1-         47 ILE  HB          4.50    (#   1565:25  Unique         2.55, 2.82 A)
 &rst
  ixpk= 1565, nxpk= 25, iat=  -1, 701, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 707, 708,
 &end
#
#   48 ALA  MB           47 ILE  HB          4.50    (#   1566:25  Unique         4.04, 4.95 A)
 &rst
  ixpk= 1566, nxpk= 25, iat=  -1, 701, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 720, 721, 722,
 &end
#
#   46 ALA  MB           47 ILE  HB          4.50    (#   1567:25  Unique         4.75, 5.69 A)
 &rst
  ixpk= 1567, nxpk= 25, iat=  -1, 701, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 691, 692, 693,
 &end
#
#  127 ILE  HA          127 ILE  HB          4.50    (#   1568:25  Unique         3.04, 3.05 A)
 &rst
  ixpk= 1568, nxpk= 25, iat=1921,1923, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  124 GLU  HA          127 ILE  HB          3.50    (#   1569:25  Unique         2.40, 2.60 A)
 &rst
  ixpk= 1569, nxpk= 25, iat=1873,1923, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:1570    47 ILE  HB          3.50    (#   1570:25  Single Ambig)
 &rst
  ixpk= 1570, nxpk= 25, iat=  -1, 701, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 669, 718,
 &end
#
#   47 ILE  HN           47 ILE  HG1-        4.50    (#   1571:25  Unique         2.09, 2.91 A)
 &rst
  ixpk= 1571, nxpk= 25, iat= 697,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 707, 708,
 &end
#
#   58 SER  HA           47 ILE  HG1-        5.50    (#   1572:25  Unique         2.19, 3.14 A)
 &rst
  ixpk= 1572, nxpk= 25, iat= 865,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 707, 708,
 &end
#
#   47 ILE  HA           47 ILE  HG1-        4.50    (#   1573:25  Unique         2.74, 2.85 A)
 &rst
  ixpk= 1573, nxpk= 25, iat= 699,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 707, 708,
 &end
#
#   47 ILE  HB           47 ILE  HG1-        3.50    (#   1574:25  Unique         2.55, 2.82 A)
 &rst
  ixpk= 1574, nxpk= 25, iat= 701,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 707, 708,
 &end
#
#   46 ALA  MB           47 ILE  HG1-        4.50    (#   1575:25  Unique         3.24, 5.17 A)
 &rst
  ixpk= 1575, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 691, 692, 693,
 igr2= 707, 708,
 &end
#
#   57 ILE  HG1-         47 ILE  HG1-        3.50    (#   1576:25  Unique         2.14, 3.27 A)
 &rst
  ixpk= 1576, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 854, 855,
 igr2= 707, 708,
 &end
#
#    0 AMB  25-2:1577    47 ILE  HG1-        2.80    (#   1577:25  Single Ambig)
 &rst
  ixpk= 1577, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 632, 633, 634, 636, 637, 638, 710, 711, 712,
 igr2= 707, 708,
 &end
#
#   47 ILE  HG1-         47 ILE  QD1         2.80    (#   1578:25  Unique         2.41, 2.66 A)
 &rst
  ixpk= 1578, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 707, 708,
 igr2= 710, 711, 712,
 &end
#
#   47 ILE  HB           47 ILE  QD1         2.80    (#   1579:25  Unique         2.39, 2.99 A)
 &rst
  ixpk= 1579, nxpk= 25, iat= 701,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 710, 711, 712,
 &end
#
#   44 PRO  HB+          47 ILE  QD1         4.50    (#   1580:25  Unique         4.07, 5.64 A)
 &rst
  ixpk= 1580, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 666, 667,
 igr2= 710, 711, 712,
 &end
#
#   47 ILE  HA           47 ILE  QD1         4.50    (#   1582:25  Unique         4.64, 4.79 A)
 &rst
  ixpk= 1582, nxpk= 25, iat= 699,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 710, 711, 712,
 &end
#
#   58 SER  HA           47 ILE  QD1         2.80    (#   1583:25  Unique         2.31, 3.06 A)
 &rst
  ixpk= 1583, nxpk= 25, iat= 865,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 710, 711, 712,
 &end
#
#   47 ILE  HN           47 ILE  QD1         3.50    (#   1584:25  Unique         3.23, 4.06 A)
 &rst
  ixpk= 1584, nxpk= 25, iat= 697,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 710, 711, 712,
 &end
#
#    0 AMB  25-2:1586     0 AMB  25-1:1586   2.80    (#   1586:25  Double Ambig)
 &rst
  ixpk= 1586, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1993,1994, 865,
 igr2=1925,1926,1927, 703, 704, 705,
 &end
#
#  124 GLU  HG+         127 ILE  QG2         5.50    (#   1587:25  Unique         4.79, 6.64 A)
 &rst
  ixpk= 1587, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1878,1879,
 igr2=1925,1926,1927,
 &end
#
#  130 ILE  HB          130 ILE  QG2         2.80    (#   1588:25  Unique         2.36, 2.65 A)
 &rst
  ixpk= 1588, nxpk= 25, iat=1974,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1976,1977,1978,
 &end
#
#    0 AMB  25-2:1589   127 ILE  QG2         2.80    (#   1589:25  Single Ambig)
 &rst
  ixpk= 1589, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1=1923,1929,1930,
 igr2=1925,1926,1927,
 &end
#
#    0 AMB  25-2:1590     0 AMB  25-1:1590   2.80    (#   1590:25  Double Ambig)
 &rst
  ixpk= 1590, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.28, r4= 6.03,
 igr1=1980,1981, 720, 721, 722,
 igr2=1976,1977,1978,1925,1926,1927, 703, 704, 705,
 &end
#
#    0 AMB  25-2:1591     0 AMB  25-1:1591   2.80    (#   1591:25  Double Ambig)
 &rst
  ixpk= 1591, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1=1980,1981,1980,1981,
 igr2=1976,1977,1978,1925,1926,1927,
 &end
#
#   95 ILE  HG1-         95 ILE  QG2         2.80    (#   1592:25  Unique         2.49, 3.51 A)
 &rst
  ixpk= 1592, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1402,1403,
 igr2=1398,1399,1400,
 &end
#
#    0 AMB  25-2:1594     0 AMB  25-1:1594   3.50    (#   1594:25  Double Ambig)
 &rst
  ixpk= 1594, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.14, r4= 5.89,
 igr1= 764, 765, 767, 768,1033,
 igr2= 718,1043,
 &end
#
#   71 ASP  HB-          71 ASP  HA          2.80    (#   1595:25  Unique         2.43, 2.75 A)
 &rst
  ixpk= 1595, nxpk= 25, iat=  -1,1043, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1045,1046,
 &end
#
#   71 ASP  HB+          71 ASP  HA          2.80    (#   1596:25  Unique         2.43, 2.75 A)
 &rst
  ixpk= 1596, nxpk= 25, iat=  -1,1043, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1045,1046,
 &end
#
#    0 AMB  25-2:1597    71 ASP  HA          4.50    (#   1597:25  Single Ambig)
 &rst
  ixpk= 1597, nxpk= 25, iat=  -1,1043, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1069,1070,1057,1058,
 &end
#
#   72 ASP  HB+          72 ASP  HA          2.80    (#   1598:25  Unique         2.50, 2.77 A)
 &rst
  ixpk= 1598, nxpk= 25, iat=  -1,1055, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1057,1058,
 &end
#
#   72 ASP  HN           71 ASP  HA          3.50    (#   1601:25  Unique         3.50, 3.52 A)
 &rst
  ixpk= 1601, nxpk= 25, iat=1053,1043, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   49 MET  HN           48 ALA  HA          4.50    (#   1603:25  Unique         3.46, 3.53 A)
 &rst
  ixpk= 1603, nxpk= 25, iat= 726, 718, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   51 GLU  HN           48 ALA  MB          5.50    (#   1604:25  Unique         5.53, 5.75 A)
 &rst
  ixpk= 1604, nxpk= 25, iat= 760,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 720, 721, 722,
 &end
#
#   45 THR  HA           48 ALA  MB          2.80    (#   1606:25  Unique         2.38, 3.46 A)
 &rst
  ixpk= 1606, nxpk= 25, iat= 675,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 720, 721, 722,
 &end
#
#   45 THR  HB           48 ALA  MB          5.50    (#   1607:25  Unique         4.59, 6.03 A)
 &rst
  ixpk= 1607, nxpk= 25, iat= 677,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 720, 721, 722,
 &end
#
#   52 GLU  HG+          48 ALA  MB          5.50    (#   1609:25  Unique         5.26, 6.73 A)
 &rst
  ixpk= 1609, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 782, 783,
 igr2= 720, 721, 722,
 &end
#
#    0 AMB  25-2:1610    48 ALA  MB          4.50    (#   1610:25  Single Ambig)
 &rst
  ixpk= 1610, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 764, 765, 767, 768,
 igr2= 720, 721, 722,
 &end
#
#   49 MET  ME           48 ALA  MB          2.80    (#   1611:25  Unique         2.33, 3.80 A)
 &rst
  ixpk= 1611, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 737, 738, 739,
 igr2= 720, 721, 722,
 &end
#
#   47 ILE  QG2          48 ALA  MB          4.50    (#   1612:25  Unique         4.25, 6.06 A)
 &rst
  ixpk= 1612, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 703, 704, 705,
 igr2= 720, 721, 722,
 &end
#
#   45 THR  MG2          48 ALA  MB          3.50    (#   1613:25  Unique         3.07, 5.25 A)
 &rst
  ixpk= 1613, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 679, 680, 681,
 igr2= 720, 721, 722,
 &end
#
#   50 MET  HN           49 MET  HA          4.50    (#   1615:25  Unique         3.34, 3.43 A)
 &rst
  ixpk= 1615, nxpk= 25, iat= 743, 728, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   52 GLU  HN           49 MET  HA          4.50    (#   1616:25  Unique         3.86, 4.04 A)
 &rst
  ixpk= 1616, nxpk= 25, iat= 775, 728, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   52 GLU  HG+          49 MET  HA          3.50    (#   1617:25  Unique         2.32, 2.93 A)
 &rst
  ixpk= 1617, nxpk= 25, iat=  -1, 728, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 782, 783,
 &end
#
#   49 MET  HB+          49 MET  HA          2.80    (#   1618:25  Unique         2.43, 2.76 A)
 &rst
  ixpk= 1618, nxpk= 25, iat=  -1, 728, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 730, 731,
 &end
#
#   49 MET  ME           49 MET  HA          2.80    (#   1619:25  Unique         2.90, 3.74 A)
 &rst
  ixpk= 1619, nxpk= 25, iat=  -1, 728, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 737, 738, 739,
 &end
#
#    0 AMB  25-2:1620     0 AMB  25-1:1620   2.80    (#   1620:25  Double Ambig)
 &rst
  ixpk= 1620, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 553, 730, 731,
 igr2= 548, 728,
 &end
#
#  116 ARG  HD-          49 MET  HB-         4.50    (#   1623:25  Unique         3.68, 5.41 A)
 &rst
  ixpk= 1623, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1740,1741,
 igr2= 730, 731,
 &end
#
#  116 ARG  HD+          49 MET  HB-         5.50    (#   1624:25  Unique         3.68, 5.41 A)
 &rst
  ixpk= 1624, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1740,1741,
 igr2= 730, 731,
 &end
#
#    0 AMB  25-2:1625    49 MET  HB-         5.50    (#   1625:25  Single Ambig)
 &rst
  ixpk= 1625, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 689,1678,
 igr2= 730, 731,
 &end
#
#    0 AMB  25-2:1626     0 AMB  25-1:1626   4.50    (#   1626:25  Double Ambig)
 &rst
  ixpk= 1626, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 689,1678,
 igr2= 730, 731, 730, 731,
 &end
#
#   49 MET  HA           49 MET  HB+         3.50    (#   1627:25  Unique         2.43, 2.76 A)
 &rst
  ixpk= 1627, nxpk= 25, iat= 728,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 730, 731,
 &end
#
#   49 MET  HA           49 MET  HB-         3.50    (#   1628:25  Unique         2.43, 2.76 A)
 &rst
  ixpk= 1628, nxpk= 25, iat= 728,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 730, 731,
 &end
#
#   50 MET  HN           49 MET  HB+         4.50    (#   1629:25  Unique         3.06, 3.81 A)
 &rst
  ixpk= 1629, nxpk= 25, iat= 743,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 730, 731,
 &end
#
#   50 MET  HN           49 MET  HB-         5.50    (#   1630:25  Unique         3.06, 3.81 A)
 &rst
  ixpk= 1630, nxpk= 25, iat= 743,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 730, 731,
 &end
#
#   49 MET  HN           49 MET  HB+         3.50    (#   1631:25  Unique         2.43, 3.06 A)
 &rst
  ixpk= 1631, nxpk= 25, iat= 726,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 730, 731,
 &end
#
#   49 MET  HN           49 MET  HB-         3.50    (#   1632:25  Unique         2.43, 3.06 A)
 &rst
  ixpk= 1632, nxpk= 25, iat= 726,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 730, 731,
 &end
#
#  118 GLN  HE2-        118 GLN  HG-         4.50    (#   1634:25  Unique         2.21, 3.28 A)
 &rst
  ixpk= 1634, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1773,1774,
 igr2=1768,1769,
 &end
#
#   49 MET  HA           49 MET  HG+         3.50    (#   1635:25  Unique         3.00, 3.47 A)
 &rst
  ixpk= 1635, nxpk= 25, iat= 728,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 733, 734,
 &end
#
#   48 ALA  HA           49 MET  HG+         5.50    (#   1636:25  Unique         5.22, 6.21 A)
 &rst
  ixpk= 1636, nxpk= 25, iat= 718,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 733, 734,
 &end
#
#    0 AMB  25-2:1637     0 AMB  25-1:1637   3.50    (#   1637:25  Double Ambig)
 &rst
  ixpk= 1637, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1716, 689,1678,
 igr2=1768,1769, 733, 734, 733, 734,
 &end
#
#   49 MET  HB-          49 MET  HG+         2.80    (#   1638:25  Unique         2.32, 2.59 A)
 &rst
  ixpk= 1638, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 730, 731,
 igr2= 733, 734,
 &end
#
#   50 MET  HB-          50 MET  HA          3.50    (#   1640:25  Unique         2.34, 2.73 A)
 &rst
  ixpk= 1640, nxpk= 25, iat=  -1, 745, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 747, 748,
 &end
#
#   50 MET  HB+          50 MET  HA          3.50    (#   1641:25  Unique         2.34, 2.73 A)
 &rst
  ixpk= 1641, nxpk= 25, iat=  -1, 745, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 747, 748,
 &end
#
#    0 AMB  25-2:1642    50 MET  HA          3.50    (#   1642:25  Single Ambig)
 &rst
  ixpk= 1642, nxpk= 25, iat=  -1, 745, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 750, 751, 779, 780,1737,1738,
 &end
#
#   50 MET  HG-          50 MET  HA          3.50    (#   1643:25  Unique         2.62, 3.58 A)
 &rst
  ixpk= 1643, nxpk= 25, iat=  -1, 745, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 750, 751,
 &end
#
#    0 AMB  25-2:1644    50 MET  HA          4.50    (#   1644:25  Single Ambig)
 &rst
  ixpk= 1644, nxpk= 25, iat=  -1, 745, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1740,1741, 794,
 &end
#
#   52 GLU  HN           50 MET  HA          5.50    (#   1646:25  Unique         3.43, 3.82 A)
 &rst
  ixpk= 1646, nxpk= 25, iat= 775, 745, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  25-2:1647    50 MET  HA          5.50    (#   1647:25  Single Ambig)
 &rst
  ixpk= 1647, nxpk= 25, iat=  -1, 745, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 743, 813,
 &end
#
#   51 GLU  HN           50 MET  HA          3.50    (#   1648:25  Unique         3.52, 3.55 A)
 &rst
  ixpk= 1648, nxpk= 25, iat= 760, 745, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   50 MET  HN           50 MET  HB+         2.80    (#   1650:25  Unique         2.34, 3.15 A)
 &rst
  ixpk= 1650, nxpk= 25, iat= 743,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 747, 748,
 &end
#
#   50 MET  HA           50 MET  HB-         3.50    (#   1651:25  Unique         2.34, 2.73 A)
 &rst
  ixpk= 1651, nxpk= 25, iat= 745,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 747, 748,
 &end
#
#    0 AMB  25-2:1652     0 AMB  25-1:1652   4.50    (#   1652:25  Double Ambig)
 &rst
  ixpk= 1652, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1888,1362,
 igr2=1875,1876,1381,1382,
 &end
#
#    0 AMB  25-2:1653     0 AMB  25-1:1653   3.50    (#   1653:25  Double Ambig)
 &rst
  ixpk= 1653, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 850, 851, 852,1104,1105,1106,1108,1109,1110,1932,
      1933,1934,
 igr2= 747, 748,1381,1382,1875,1876,
 &end
#
#   57 ILE  QD1          50 MET  HB+         3.50    (#   1654:25  Unique         2.37, 3.96 A)
 &rst
  ixpk= 1654, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 857, 858, 859,
 igr2= 747, 748,
 &end
#
#   57 ILE  QD1          50 MET  HB-         4.50    (#   1655:25  Unique         2.37, 3.96 A)
 &rst
  ixpk= 1655, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 857, 858, 859,
 igr2= 747, 748,
 &end
#
#   55 ILE  QG2          50 MET  HB+         4.50    (#   1656:25  Unique         2.35, 3.60 A)
 &rst
  ixpk= 1656, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 819, 820, 821,
 igr2= 747, 748,
 &end
#
#   55 ILE  QG2          50 MET  HB-         3.50    (#   1657:25  Unique         2.35, 3.60 A)
 &rst
  ixpk= 1657, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 819, 820, 821,
 igr2= 747, 748,
 &end
#
#   50 MET  HN           50 MET  HG+         4.50    (#   1658:25  Unique         2.92, 3.74 A)
 &rst
  ixpk= 1658, nxpk= 25, iat= 743,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 750, 751,
 &end
#
#  100 GLN  HE2+        100 GLN  HG+         5.50    (#   1660:25  Unique         2.23, 3.32 A)
 &rst
  ixpk= 1660, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1494,1495,
 igr2=1489,1490,
 &end
#
#   50 MET  HA           50 MET  HG+         5.50    (#   1661:25  Unique         2.62, 3.58 A)
 &rst
  ixpk= 1661, nxpk= 25, iat= 745,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 750, 751,
 &end
#
#   57 ILE  QD1          50 MET  HG+         3.50    (#   1664:25  Unique         2.23, 3.20 A)
 &rst
  ixpk= 1664, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 857, 858, 859,
 igr2= 750, 751,
 &end
#
#    0 AMB  25-2:1665    51 GLU  HA          2.80    (#   1665:25  Single Ambig)
 &rst
  ixpk= 1665, nxpk= 25, iat=  -1, 762, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 767, 768, 764, 765,
 &end
#
#   48 ALA  MB           51 GLU  HB+         5.50    (#   1667:25  Unique         4.74, 5.88 A)
 &rst
  ixpk= 1667, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 720, 721, 722,
 igr2= 764, 765,
 &end
#
#    0 AMB  25-2:1668     0 AMB  25-1:1668   2.80    (#   1668:25  Double Ambig)
 &rst
  ixpk= 1668, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1379, 762,
 igr2=1381,1382, 764, 765,
 &end
#
#   51 GLU  HA           51 GLU  HB+         2.80    (#   1669:25  Unique         2.41, 2.76 A)
 &rst
  ixpk= 1669, nxpk= 25, iat= 762,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 764, 765,
 &end
#
#   52 GLU  HG+          52 GLU  HA          3.50    (#   1673:25  Unique         2.71, 3.56 A)
 &rst
  ixpk= 1673, nxpk= 25, iat=  -1, 777, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 782, 783,
 &end
#
#   52 GLU  HG-          52 GLU  HA          3.50    (#   1674:25  Unique         2.71, 3.56 A)
 &rst
  ixpk= 1674, nxpk= 25, iat=  -1, 777, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 782, 783,
 &end
#
#    0 AMB  25-2:1675    23 LYS  HA          5.50    (#   1675:25  Single Ambig)
 &rst
  ixpk= 1675, nxpk= 25, iat=  -1, 359, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 493, 494, 495, 497, 498, 499, 468, 469,
 &end
#
#  116 ARG  HE           52 GLU  HB+         5.50    (#   1676:25  Unique         3.27, 4.86 A)
 &rst
  ixpk= 1676, nxpk= 25, iat=1743,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 779, 780,
 &end
#
#   53 VAL  HN           52 GLU  HB-         4.50    (#   1677:25  Unique         2.50, 3.62 A)
 &rst
  ixpk= 1677, nxpk= 25, iat= 790,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 779, 780,
 &end
#
#   53 VAL  HN           52 GLU  HB+         3.50    (#   1678:25  Unique         2.50, 3.62 A)
 &rst
  ixpk= 1678, nxpk= 25, iat= 790,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 779, 780,
 &end
#
#    0 AMB  25-2:1681   111 VAL  HB          4.50    (#   1681:25  Single Ambig)
 &rst
  ixpk= 1681, nxpk= 25, iat=  -1,1644, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1599,1600,1704,
 &end
#
#   49 MET  HA           52 GLU  HB+         5.50    (#   1682:25  Unique         4.13, 4.72 A)
 &rst
  ixpk= 1682, nxpk= 25, iat= 728,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 779, 780,
 &end
#
#  112 PHE  HA          111 VAL  HB          4.50    (#   1683:25  Unique         4.26, 4.41 A)
 &rst
  ixpk= 1683, nxpk= 25, iat=1658,1644, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   52 GLU  HG+          52 GLU  HB-         2.80    (#   1684:25  Unique         2.30, 2.69 A)
 &rst
  ixpk= 1684, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 782, 783,
 igr2= 779, 780,
 &end
#
#   52 GLU  HG+          52 GLU  HB+         2.80    (#   1685:25  Unique         2.30, 2.69 A)
 &rst
  ixpk= 1685, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 782, 783,
 igr2= 779, 780,
 &end
#
#  116 ARG  HE           52 GLU  HG+         5.50    (#   1686:25  Unique         3.06, 3.99 A)
 &rst
  ixpk= 1686, nxpk= 25, iat=1743,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 782, 783,
 &end
#
#   53 VAL  HN           52 GLU  HG+         5.50    (#   1687:25  Unique         2.53, 3.72 A)
 &rst
  ixpk= 1687, nxpk= 25, iat= 790,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 782, 783,
 &end
#
#   49 MET  HA           52 GLU  HG+         3.50    (#   1688:25  Unique         2.32, 2.93 A)
 &rst
  ixpk= 1688, nxpk= 25, iat= 728,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 782, 783,
 &end
#
#  116 ARG  HE           52 GLU  HG-         5.50    (#   1689:25  Unique         3.06, 3.99 A)
 &rst
  ixpk= 1689, nxpk= 25, iat=1743,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 782, 783,
 &end
#
#   49 MET  ME           52 GLU  HG+         4.50    (#   1692:25  Unique         4.60, 6.07 A)
 &rst
  ixpk= 1692, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 737, 738, 739,
 igr2= 782, 783,
 &end
#
#    0 AMB  25-2:1693     0 AMB  25-1:1693   5.50    (#   1693:25  Double Ambig)
 &rst
  ixpk= 1693, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.06, r4= 9.81,
 igr1=1683,1684, 720, 721, 722,
 igr2= 782, 783, 782, 783,
 &end
#
#   49 MET  HB-          52 GLU  HG+         5.50    (#   1694:25  Unique         3.91, 5.04 A)
 &rst
  ixpk= 1694, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 730, 731,
 igr2= 782, 783,
 &end
#
#    0 AMB  25-2:1695    52 GLU  HG-         5.50    (#   1695:25  Single Ambig)
 &rst
  ixpk= 1695, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.07, r4= 8.82,
 igr1=1683,1684, 720, 721, 722,
 igr2= 782, 783,
 &end
#
#   53 VAL  MGY          52 GLU  HG+         5.50    (#   1696:25  Unique         2.45, 5.71 A)
 &rst
  ixpk= 1696, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 796, 797, 798, 800, 801, 802,
 igr2= 782, 783,
 &end
#
#   54 GLY  HN           53 VAL  HB          5.50    (#   1701:25  Unique         3.10, 4.09 A)
 &rst
  ixpk= 1701, nxpk= 25, iat= 806, 794, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   21 PHE  HE           53 VAL  HB          5.50    (#   1702:25  Unique         3.45, 5.53 A)
 &rst
  ixpk= 1702, nxpk= 25, iat=  -1, 794, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 337, 341,
 &end
#
#   53 VAL  HN           53 VAL  HB          3.50    (#   1703:25  Unique         2.39, 3.29 A)
 &rst
  ixpk= 1703, nxpk= 25, iat= 790, 794, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   55 ILE  HG1+         53 VAL  HB          5.50    (#   1705:25  Unique         2.21, 3.90 A)
 &rst
  ixpk= 1705, nxpk= 25, iat=  -1, 794, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 823, 824,
 &end
#
#   53 VAL  MGY          53 VAL  HB          2.80    (#   1706:25  Unique         2.36, 2.64 A)
 &rst
  ixpk= 1706, nxpk= 25, iat=  -1, 794, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 796, 797, 798, 800, 801, 802,
 &end
#
#   17 MET  ME           53 VAL  HB          5.50    (#   1707:25  Unique         3.74, 6.11 A)
 &rst
  ixpk= 1707, nxpk= 25, iat=  -1, 794, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 289, 290, 291,
 &end
#
#  116 ARG  HE           53 VAL  MGY         5.50    (#   1708:25  Unique         2.27, 4.61 A)
 &rst
  ixpk= 1708, nxpk= 25, iat=1743,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 796, 797, 798, 800, 801, 802,
 &end
#
#   54 GLY  HN           53 VAL  MGY         4.50    (#   1709:25  Unique         4.02, 4.97 A)
 &rst
  ixpk= 1709, nxpk= 25, iat= 806,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 796, 797, 798, 800, 801, 802,
 &end
#
#   52 GLU  HN           53 VAL  MGY         5.50    (#   1710:25  Unique         3.62, 5.75 A)
 &rst
  ixpk= 1710, nxpk= 25, iat= 775,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 796, 797, 798, 800, 801, 802,
 &end
#
#   49 MET  HA           53 VAL  MGY         5.50    (#   1711:25  Unique         5.17, 7.43 A)
 &rst
  ixpk= 1711, nxpk= 25, iat= 728,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 796, 797, 798, 800, 801, 802,
 &end
#
#    0 AMB  25-2:1712    53 VAL  MGY         5.50    (#   1712:25  Single Ambig)
 &rst
  ixpk= 1712, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 815, 777,
 igr2= 796, 797, 798, 800, 801, 802,
 &end
#
#   52 GLU  HB-          53 VAL  MGY         5.50    (#   1715:25  Unique         2.26, 5.49 A)
 &rst
  ixpk= 1715, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 779, 780,
 igr2= 796, 797, 798, 800, 801, 802,
 &end
#
#    0 AMB  25-2:1716    53 VAL  MGX         5.50    (#   1716:25  Single Ambig)
 &rst
  ixpk= 1716, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 329, 728,
 igr2= 796, 797, 798, 800, 801, 802,
 &end
#
#    0 AMB  25-2:1717    53 VAL  MGX         4.50    (#   1717:25  Single Ambig)
 &rst
  ixpk= 1717, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 815, 777,
 igr2= 796, 797, 798, 800, 801, 802,
 &end
#
#   51 GLU  HA           53 VAL  MGX         5.50    (#   1718:25  Unique         4.96, 6.63 A)
 &rst
  ixpk= 1718, nxpk= 25, iat= 762,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 796, 797, 798, 800, 801, 802,
 &end
#
#   52 GLU  HG-          53 VAL  MGX         5.50    (#   1722:25  Unique         2.45, 5.71 A)
 &rst
  ixpk= 1722, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 782, 783,
 igr2= 796, 797, 798, 800, 801, 802,
 &end
#
#    0 AMB  25-2:1723    53 VAL  MGX         4.50    (#   1723:25  Single Ambig)
 &rst
  ixpk= 1723, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 779, 780,1737,1738,
 igr2= 796, 797, 798, 800, 801, 802,
 &end
#
#    0 AMB  25-2:1724    53 VAL  MGX         4.50    (#   1724:25  Single Ambig)
 &rst
  ixpk= 1724, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1=1737,1738, 747, 748,1734,1735,
 igr2= 796, 797, 798, 800, 801, 802,
 &end
#
#   55 ILE  QG2          53 VAL  MGX         5.50    (#   1726:25  Unique         4.42, 7.13 A)
 &rst
  ixpk= 1726, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1= 819, 820, 821,
 igr2= 796, 797, 798, 800, 801, 802,
 &end
#
#   53 VAL  HN           54 GLY  HA-         5.50    (#   1727:25  Unique         4.40, 4.87 A)
 &rst
  ixpk= 1727, nxpk= 25, iat= 790,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 808, 809,
 &end
#
#   53 VAL  HN           54 GLY  HA+         5.50    (#   1728:25  Unique         4.40, 4.87 A)
 &rst
  ixpk= 1728, nxpk= 25, iat= 790,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 808, 809,
 &end
#
#   55 ILE  HG1+         54 GLY  HA-         5.50    (#   1731:25  Unique         4.23, 5.48 A)
 &rst
  ixpk= 1731, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 823, 824,
 igr2= 808, 809,
 &end
#
#    0 AMB  25-2:1732    54 GLY  HA-         5.50    (#   1732:25  Single Ambig)
 &rst
  ixpk= 1732, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.54, r4= 9.29,
 igr1= 796, 797, 798, 800, 801, 802, 817,
 igr2= 808, 809,
 &end
#
#    0 AMB  25-2:1733     0 AMB  25-1:1733   5.50    (#   1733:25  Double Ambig)
 &rst
  ixpk= 1733, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.58, r4=10.33,
 igr1= 796, 797, 798, 800, 801, 802, 817,
 igr2= 808, 809, 808, 809,
 &end
#
#   55 ILE  QD1          55 ILE  HA          4.50    (#   1734:25  Unique         2.21, 3.48 A)
 &rst
  ixpk= 1734, nxpk= 25, iat=  -1, 815, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 826, 827, 828,
 &end
#
#    0 AMB  25-2:1736     0 AMB  25-1:1736   5.50    (#   1736:25  Double Ambig)
 &rst
  ixpk= 1736, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1740,1741, 794,
 igr2=1732, 815,
 &end
#
#  116 ARG  HD+         116 ARG  HA          4.50    (#   1737:25  Unique         3.74, 4.18 A)
 &rst
  ixpk= 1737, nxpk= 25, iat=  -1,1732, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1740,1741,
 &end
#
#   21 PHE  HD          116 ARG  HA          4.50    (#   1738:25  Unique         3.89, 5.66 A)
 &rst
  ixpk= 1738, nxpk= 25, iat=  -1,1732, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 335, 343,
 &end
#
#   21 PHE  HE          116 ARG  HA          5.50    (#   1739:25  Unique         2.09, 4.26 A)
 &rst
  ixpk= 1739, nxpk= 25, iat=  -1,1732, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 337, 341,
 &end
#
#  111 VAL  HN          110 GLU  HA          3.50    (#   1740:25  Unique         3.53, 3.55 A)
 &rst
  ixpk= 1740, nxpk= 25, iat=1640,1627, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   55 ILE  HN           55 ILE  HA          3.50    (#   1741:25  Unique         2.85, 2.90 A)
 &rst
  ixpk= 1741, nxpk= 25, iat= 813, 815, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   55 ILE  HA           55 ILE  HB          4.50    (#   1742:25  Unique         2.94, 2.95 A)
 &rst
  ixpk= 1742, nxpk= 25, iat= 815, 817, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   50 MET  HB-          55 ILE  HB          4.50    (#   1743:25  Unique         2.11, 2.80 A)
 &rst
  ixpk= 1743, nxpk= 25, iat=  -1, 817, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 747, 748,
 &end
#
#   50 MET  HB+          55 ILE  HB          4.50    (#   1744:25  Unique         2.11, 2.80 A)
 &rst
  ixpk= 1744, nxpk= 25, iat=  -1, 817, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 747, 748,
 &end
#
#   55 ILE  HG1+         55 ILE  HB          3.50    (#   1746:25  Unique         2.28, 2.51 A)
 &rst
  ixpk= 1746, nxpk= 25, iat=  -1, 817, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 823, 824,
 &end
#
#    0 AMB  25-2:1747    55 ILE  HB          2.80    (#   1747:25  Single Ambig)
 &rst
  ixpk= 1747, nxpk= 25, iat=  -1, 817, r1= 0.00, r2= 1.80, r3= 3.66, r4= 4.41,
 igr1= 823, 824, 289, 290, 291,
 &end
#
#   55 ILE  QD1          55 ILE  HB          3.50    (#   1748:25  Unique         2.62, 3.80 A)
 &rst
  ixpk= 1748, nxpk= 25, iat=  -1, 817, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 826, 827, 828,
 &end
#
#   55 ILE  QG2          55 ILE  HB          2.80    (#   1749:25  Unique         2.26, 2.64 A)
 &rst
  ixpk= 1749, nxpk= 25, iat=  -1, 817, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 819, 820, 821,
 &end
#
#   55 ILE  QG2          55 ILE  HG1+        3.50    (#   1750:25  Unique         2.53, 3.64 A)
 &rst
  ixpk= 1750, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 819, 820, 821,
 igr2= 823, 824,
 &end
#
#   55 ILE  QD1          55 ILE  HG1-        2.80    (#   1751:25  Unique         2.31, 2.65 A)
 &rst
  ixpk= 1751, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 826, 827, 828,
 igr2= 823, 824,
 &end
#
#   55 ILE  QG2          55 ILE  HG1-        3.50    (#   1752:25  Unique         2.53, 3.64 A)
 &rst
  ixpk= 1752, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 819, 820, 821,
 igr2= 823, 824,
 &end
#
#   55 ILE  QD1          55 ILE  HG1+        2.80    (#   1753:25  Unique         2.31, 2.65 A)
 &rst
  ixpk= 1753, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 826, 827, 828,
 igr2= 823, 824,
 &end
#
#    0 AMB  25-2:1755    55 ILE  HG1-        2.80    (#   1755:25  Single Ambig)
 &rst
  ixpk= 1755, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.35, r4= 5.10,
 igr1= 796, 797, 798, 800, 801, 802, 817,
 igr2= 823, 824,
 &end
#
#   55 ILE  HB           55 ILE  HG1+        2.80    (#   1757:25  Unique         2.28, 2.51 A)
 &rst
  ixpk= 1757, nxpk= 25, iat= 817,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 823, 824,
 &end
#
#   55 ILE  HA           55 ILE  HG1+        3.50    (#   1758:25  Unique         2.05, 3.01 A)
 &rst
  ixpk= 1758, nxpk= 25, iat= 815,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 823, 824,
 &end
#
#   55 ILE  HA           55 ILE  HG1-        3.50    (#   1759:25  Unique         2.05, 3.01 A)
 &rst
  ixpk= 1759, nxpk= 25, iat= 815,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 823, 824,
 &end
#
#   55 ILE  HN           55 ILE  HG1+        3.50    (#   1760:25  Unique         2.30, 3.08 A)
 &rst
  ixpk= 1760, nxpk= 25, iat= 813,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 823, 824,
 &end
#
#   55 ILE  HN           55 ILE  HG1-        5.50    (#   1761:25  Unique         2.30, 3.08 A)
 &rst
  ixpk= 1761, nxpk= 25, iat= 813,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 823, 824,
 &end
#
#    0 AMB  25-2:1763    57 ILE  QD1         4.50    (#   1763:25  Single Ambig)
 &rst
  ixpk= 1763, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 844, 626,
 igr2= 857, 858, 859,
 &end
#
#   47 ILE  HN           57 ILE  QD1         5.50    (#   1764:25  Unique         3.19, 4.35 A)
 &rst
  ixpk= 1764, nxpk= 25, iat= 697,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 857, 858, 859,
 &end
#
#   21 PHE  HE           55 ILE  QD1         4.50    (#   1765:25  Unique         3.08, 5.35 A)
 &rst
  ixpk= 1765, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 337, 341,
 igr2= 826, 827, 828,
 &end
#
#   24 THR  HN           55 ILE  QD1         5.50    (#   1766:25  Unique         3.69, 4.51 A)
 &rst
  ixpk= 1766, nxpk= 25, iat= 379,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 826, 827, 828,
 &end
#
#    0 AMB  25-2:1769     0 AMB  25-1:1769   5.50    (#   1769:25  Double Ambig)
 &rst
  ixpk= 1769, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1= 762, 867, 868, 349,
 igr2= 826, 827, 828, 857, 858, 859,
 &end
#
#    0 AMB  25-2:1770    57 ILE  QD1         4.50    (#   1770:25  Single Ambig)
 &rst
  ixpk= 1770, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 689, 628, 865,
 igr2= 857, 858, 859,
 &end
#
#    0 AMB  25-2:1771     0 AMB  25-1:1771   4.50    (#   1771:25  Double Ambig)
 &rst
  ixpk= 1771, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 285, 286, 322, 323,
 igr2= 857, 858, 859, 826, 827, 828,
 &end
#
#    0 AMB  25-2:1772    55 ILE  QD1         5.50    (#   1772:25  Single Ambig)
 &rst
  ixpk= 1772, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 331, 332, 370, 371,
 igr2= 826, 827, 828,
 &end
#
#    0 AMB  25-2:1773    55 ILE  QD1         5.50    (#   1773:25  Single Ambig)
 &rst
  ixpk= 1773, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 794,1740,1741,
 igr2= 826, 827, 828,
 &end
#
#   50 MET  HG-          57 ILE  QD1         4.50    (#   1774:25  Unique         2.23, 3.20 A)
 &rst
  ixpk= 1774, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 750, 751,
 igr2= 857, 858, 859,
 &end
#
#    0 AMB  25-2:1775    57 ILE  QD1         2.80    (#   1775:25  Single Ambig)
 &rst
  ixpk= 1775, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 750, 751, 848,
 igr2= 857, 858, 859,
 &end
#
#    0 AMB  25-2:1776    57 ILE  QD1         2.80    (#   1776:25  Single Ambig)
 &rst
  ixpk= 1776, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 747, 748, 630,
 igr2= 857, 858, 859,
 &end
#
#    0 AMB  25-2:1777    57 ILE  QD1         2.80    (#   1777:25  Single Ambig)
 &rst
  ixpk= 1777, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.65, r4= 5.40,
 igr1= 268, 269, 265, 266, 691, 692, 693,
 igr2= 857, 858, 859,
 &end
#
#   55 ILE  HG1+         55 ILE  QD1         2.80    (#   1778:25  Unique         2.31, 2.65 A)
 &rst
  ixpk= 1778, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 823, 824,
 igr2= 826, 827, 828,
 &end
#
#    0 AMB  25-2:1779     0 AMB  25-1:1779   2.80    (#   1779:25  Double Ambig)
 &rst
  ixpk= 1779, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
 igr1= 265, 266, 796, 797, 798, 800, 801, 802,
 igr2= 857, 858, 859, 826, 827, 828,
 &end
#
#    0 AMB  25-2:1780     0 AMB  25-1:1780   2.80    (#   1780:25  Double Ambig)
 &rst
  ixpk= 1780, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.44, r4= 6.19,
 igr1= 289, 290, 291, 632, 633, 634, 636, 637, 638,
 igr2= 826, 827, 828, 857, 858, 859,
 &end
#
#   57 ILE  QG2          55 ILE  QG2         2.80    (#   1781:25  Unique         2.12, 3.23 A)
 &rst
  ixpk= 1781, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 850, 851, 852,
 igr2= 819, 820, 821,
 &end
#
#   17 MET  ME           55 ILE  QG2         2.80    (#   1782:25  Unique         2.02, 3.79 A)
 &rst
  ixpk= 1782, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 289, 290, 291,
 igr2= 819, 820, 821,
 &end
#
#   55 ILE  HB           55 ILE  QG2         2.80    (#   1783:25  Unique         2.26, 2.64 A)
 &rst
  ixpk= 1783, nxpk= 25, iat= 817,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 819, 820, 821,
 &end
#
#   55 ILE  HG1+         55 ILE  QG2         3.50    (#   1784:25  Unique         2.53, 3.64 A)
 &rst
  ixpk= 1784, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 823, 824,
 igr2= 819, 820, 821,
 &end
#
#    0 AMB  25-2:1786    55 ILE  QG2         4.50    (#   1786:25  Single Ambig)
 &rst
  ixpk= 1786, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 750, 751, 848,
 igr2= 819, 820, 821,
 &end
#
#    0 AMB  25-2:1787    55 ILE  QG2         5.50    (#   1787:25  Single Ambig)
 &rst
  ixpk= 1787, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 750, 751, 836, 837,
 igr2= 819, 820, 821,
 &end
#
#   23 LYS  HE+          55 ILE  QG2         4.50    (#   1788:25  Unique         3.24, 6.19 A)
 &rst
  ixpk= 1788, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 370, 371,
 igr2= 819, 820, 821,
 &end
#
#   20 GLY  HA-          55 ILE  QG2         4.50    (#   1789:25  Unique         2.29, 3.41 A)
 &rst
  ixpk= 1789, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 322, 323,
 igr2= 819, 820, 821,
 &end
#
#   20 GLY  HA+          55 ILE  QG2         4.50    (#   1790:25  Unique         2.29, 3.41 A)
 &rst
  ixpk= 1790, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 322, 323,
 igr2= 819, 820, 821,
 &end
#
#    0 AMB  25-2:1791    55 ILE  QG2         5.50    (#   1791:25  Single Ambig)
 &rst
  ixpk= 1791, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 280, 762,
 igr2= 819, 820, 821,
 &end
#
#   21 PHE  HA           55 ILE  QG2         5.50    (#   1792:25  Unique         4.66, 5.72 A)
 &rst
  ixpk= 1792, nxpk= 25, iat= 329,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 819, 820, 821,
 &end
#
#    0 AMB  25-2:1794    55 ILE  QG2         4.50    (#   1794:25  Single Ambig)
 &rst
  ixpk= 1794, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 813, 743,
 igr2= 819, 820, 821,
 &end
#
#   57 ILE  HN           55 ILE  QG2         5.50    (#   1795:25  Unique         2.94, 4.30 A)
 &rst
  ixpk= 1795, nxpk= 25, iat= 844,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 819, 820, 821,
 &end
#
#   57 ILE  HN           56 ASP  HB-         4.50    (#   1802:25  Unique         4.30, 4.49 A)
 &rst
  ixpk= 1802, nxpk= 25, iat= 844,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 836, 837,
 &end
#
#   57 ILE  HN           56 ASP  HB+         5.50    (#   1803:25  Unique         4.30, 4.49 A)
 &rst
  ixpk= 1803, nxpk= 25, iat= 844,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 836, 837,
 &end
#
#   55 ILE  HA           56 ASP  HB+         4.50    (#   1804:25  Unique         4.22, 4.60 A)
 &rst
  ixpk= 1804, nxpk= 25, iat= 815,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 836, 837,
 &end
#
#   55 ILE  HA           56 ASP  HB-         4.50    (#   1805:25  Unique         4.22, 4.60 A)
 &rst
  ixpk= 1805, nxpk= 25, iat= 815,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 836, 837,
 &end
#
#   55 ILE  QG2          56 ASP  HB+         5.50    (#   1806:25  Unique         4.28, 5.85 A)
 &rst
  ixpk= 1806, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 819, 820, 821,
 igr2= 836, 837,
 &end
#
#   55 ILE  QG2          56 ASP  HB-         5.50    (#   1807:25  Unique         4.28, 5.85 A)
 &rst
  ixpk= 1807, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 819, 820, 821,
 igr2= 836, 837,
 &end
#
#    0 AMB  25-2:1808    57 ILE  HA          2.80    (#   1808:25  Single Ambig)
 &rst
  ixpk= 1808, nxpk= 25, iat=  -1, 846, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 885, 886, 848,
 &end
#
#   61 THR  HB           61 THR  HA          2.80    (#   1809:25  Unique         2.43, 2.58 A)
 &rst
  ixpk= 1809, nxpk= 25, iat= 902, 900, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   60 GLN  HN            0 AMB  25-1:1810   5.50    (#   1810:25  Single Ambig)
 &rst
  ixpk= 1810, nxpk= 25, iat= 881,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 846, 900,
 &end
#
#    0 AMB  25-2:1811    57 ILE  HB          3.50    (#   1811:25  Single Ambig)
 &rst
  ixpk= 1811, nxpk= 25, iat=  -1, 848, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 854, 855, 265, 266,
 &end
#
#   57 ILE  HN           57 ILE  HG1-        3.50    (#   1812:25  Unique         2.30, 2.67 A)
 &rst
  ixpk= 1812, nxpk= 25, iat= 844,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 854, 855,
 &end
#
#  101 LEU  HA          101 LEU  MDY         4.50    (#   1813:25  Unique         2.09, 3.86 A)
 &rst
  ixpk= 1813, nxpk= 25, iat=1501,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1508,1509,1510,1512,1513,1514,
 &end
#
#   47 ILE  HA           57 ILE  HG1-        3.50    (#   1814:25  Unique         2.51, 2.92 A)
 &rst
  ixpk= 1814, nxpk= 25, iat= 699,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 854, 855,
 &end
#
#   57 ILE  HB           57 ILE  HG1-        2.80    (#   1815:25  Unique         2.45, 2.79 A)
 &rst
  ixpk= 1815, nxpk= 25, iat= 848,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 854, 855,
 &end
#
#    0 AMB  25-2:1816    57 ILE  HG1-        2.80    (#   1816:25  Single Ambig)
 &rst
  ixpk= 1816, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.11, r4= 4.86,
 igr1= 707, 708, 857, 858, 859,
 igr2= 854, 855,
 &end
#
#   57 ILE  QG2          57 ILE  HG1-        2.80    (#   1817:25  Unique         2.41, 3.54 A)
 &rst
  ixpk= 1817, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 850, 851, 852,
 igr2= 854, 855,
 &end
#
#   57 ILE  HN           57 ILE  QG2         4.50    (#   1818:25  Unique         3.19, 4.08 A)
 &rst
  ixpk= 1818, nxpk= 25, iat= 844,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 850, 851, 852,
 &end
#
#   20 GLY  HN           57 ILE  QG2         4.50    (#   1819:25  Unique         2.86, 3.82 A)
 &rst
  ixpk= 1819, nxpk= 25, iat= 320,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 850, 851, 852,
 &end
#
#   60 GLN  HE2+         57 ILE  QG2         4.50    (#   1820:25  Unique         1.98, 4.25 A)
 &rst
  ixpk= 1820, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 893, 894,
 igr2= 850, 851, 852,
 &end
#
#   60 GLN  HE2-         57 ILE  QG2         5.50    (#   1821:25  Unique         1.98, 4.25 A)
 &rst
  ixpk= 1821, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 893, 894,
 igr2= 850, 851, 852,
 &end
#
#   17 MET  HA           57 ILE  QG2         4.50    (#   1823:25  Unique         2.46, 4.20 A)
 &rst
  ixpk= 1823, nxpk= 25, iat= 280,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 850, 851, 852,
 &end
#
#   20 GLY  HA+          57 ILE  QG2         3.50    (#   1824:25  Unique         2.37, 3.30 A)
 &rst
  ixpk= 1824, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 322, 323,
 igr2= 850, 851, 852,
 &end
#
#   47 ILE  HA           57 ILE  QG2         5.50    (#   1825:25  Unique         5.12, 5.94 A)
 &rst
  ixpk= 1825, nxpk= 25, iat= 699,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 850, 851, 852,
 &end
#
#   23 LYS  HE+          57 ILE  QG2         5.50    (#   1827:25  Unique         3.16, 5.50 A)
 &rst
  ixpk= 1827, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 370, 371,
 igr2= 850, 851, 852,
 &end
#
#   50 MET  HG-          57 ILE  QG2         4.50    (#   1828:25  Unique         3.23, 5.17 A)
 &rst
  ixpk= 1828, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 750, 751,
 igr2= 850, 851, 852,
 &end
#
#    0 AMB  25-2:1829    57 ILE  QG2         2.80    (#   1829:25  Single Ambig)
 &rst
  ixpk= 1829, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 848, 750, 751,
 igr2= 850, 851, 852,
 &end
#
#    0 AMB  25-2:1830    57 ILE  QG2         3.50    (#   1830:25  Single Ambig)
 &rst
  ixpk= 1830, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 312, 313, 747, 748,
 igr2= 850, 851, 852,
 &end
#
#   55 ILE  QG2          57 ILE  QG2         2.80    (#   1831:25  Unique         2.12, 3.23 A)
 &rst
  ixpk= 1831, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 819, 820, 821,
 igr2= 850, 851, 852,
 &end
#
#    0 AMB  25-2:1832    58 SER  HA          4.50    (#   1832:25  Single Ambig)
 &rst
  ixpk= 1832, nxpk= 25, iat=  -1, 865, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 844, 626,
 &end
#
#   41 ARG  HE           58 SER  HA          5.50    (#   1833:25  Unique         3.17, 4.41 A)
 &rst
  ixpk= 1833, nxpk= 25, iat= 615, 865, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   60 GLN  HN           58 SER  HA          4.50    (#   1834:25  Unique         3.48, 3.99 A)
 &rst
  ixpk= 1834, nxpk= 25, iat= 881, 865, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   41 ARG  HG-          58 SER  HA          5.50    (#   1835:25  Unique         2.90, 5.06 A)
 &rst
  ixpk= 1835, nxpk= 25, iat=  -1, 865, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 609, 610,
 &end
#
#   57 ILE  HG1-         58 SER  HA          5.50    (#   1836:25  Unique         3.17, 4.48 A)
 &rst
  ixpk= 1836, nxpk= 25, iat=  -1, 865, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 854, 855,
 &end
#
#    0 AMB  25-2:1837    58 SER  HA          2.80    (#   1837:25  Single Ambig)
 &rst
  ixpk= 1837, nxpk= 25, iat=  -1, 865, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 710, 711, 712, 632, 633, 634, 636, 637, 638,
 &end
#
#  107 GLN  HE2+        104 PRO  HA          4.50    (#   1839:25  Unique         2.17, 3.86 A)
 &rst
  ixpk= 1839, nxpk= 25, iat=  -1,1555, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1590,1591,
 &end
#
#  107 GLN  HE2-        104 PRO  HA          4.50    (#   1840:25  Unique         2.17, 3.86 A)
 &rst
  ixpk= 1840, nxpk= 25, iat=  -1,1555, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1590,1591,
 &end
#
#  107 GLN  HG+         104 PRO  HA          3.50    (#   1841:25  Unique         2.06, 2.52 A)
 &rst
  ixpk= 1841, nxpk= 25, iat=  -1,1555, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1585,1586,
 &end
#
#    0 AMB  25-2:1842   104 PRO  HA          3.50    (#   1842:25  Single Ambig)
 &rst
  ixpk= 1842, nxpk= 25, iat=  -1,1555, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1585,1586,1582,1583,
 &end
#
#  104 PRO  HG+         104 PRO  HA          4.50    (#   1844:25  Unique         3.72, 3.95 A)
 &rst
  ixpk= 1844, nxpk= 25, iat=  -1,1555, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1549,1550,
 &end
#
#    0 AMB  25-2:1845   104 PRO  HA          2.80    (#   1845:25  Single Ambig)
 &rst
  ixpk= 1845, nxpk= 25, iat=  -1,1555, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1552,1553,1646,1647,1648,1650,1651,1652,
 &end
#
#  111 VAL  MGX         104 PRO  HA          2.80    (#   1846:25  Unique         2.57, 4.30 A)
 &rst
  ixpk= 1846, nxpk= 25, iat=  -1,1555, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1646,1647,1648,1650,1651,1652,
 &end
#
#  104 PRO  HB+         104 PRO  HA          4.50    (#   1847:25  Unique         2.25, 2.49 A)
 &rst
  ixpk= 1847, nxpk= 25, iat=  -1,1555, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1552,1553,
 &end
#
#    0 AMB  25-2:1848     0 AMB  25-1:1848   2.80    (#   1848:25  Double Ambig)
 &rst
  ixpk= 1848, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.85, r4= 5.60,
 igr1= 703, 704, 705,1720,1721,1722,1724,1725,1726,
 igr2= 867, 868,1555,
 &end
#
#   59 GLY  HN           59 GLY  HA+         3.50    (#   1849:25  Unique         2.27, 2.64 A)
 &rst
  ixpk= 1849, nxpk= 25, iat= 874,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 876, 877,
 &end
#
#   59 GLY  HN           59 GLY  HA-         3.50    (#   1850:25  Unique         2.27, 2.64 A)
 &rst
  ixpk= 1850, nxpk= 25, iat= 874,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 876, 877,
 &end
#
#   60 GLN  HG+          60 GLN  HA          2.80    (#   1851:25  Unique         2.31, 2.83 A)
 &rst
  ixpk= 1851, nxpk= 25, iat=  -1, 883, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 888, 889,
 &end
#
#   60 GLN  HB-          60 GLN  HA          2.80    (#   1852:25  Unique         2.38, 2.75 A)
 &rst
  ixpk= 1852, nxpk= 25, iat=  -1, 883, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 885, 886,
 &end
#
#   61 THR  MG2          60 GLN  HA          5.50    (#   1853:25  Unique         3.91, 5.41 A)
 &rst
  ixpk= 1853, nxpk= 25, iat=  -1, 883, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 904, 905, 906,
 &end
#
#   60 GLN  HE2-         60 GLN  HB+         4.50    (#   1854:25  Unique         2.07, 3.58 A)
 &rst
  ixpk= 1854, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 893, 894,
 igr2= 885, 886,
 &end
#
#   76 VAL  MGY          76 VAL  HB          2.80    (#   1855:25  Unique         2.39, 2.68 A)
 &rst
  ixpk= 1855, nxpk= 25, iat=  -1,1118, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1120,1121,1122,1124,1125,1126,
 &end
#
#   95 ILE  QG2          76 VAL  HB          5.50    (#   1856:25  Unique         5.49, 6.90 A)
 &rst
  ixpk= 1856, nxpk= 25, iat=  -1,1118, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1398,1399,1400,
 &end
#
#   62 SER  HN           62 SER  HB+         4.50    (#   1866:25  Unique         2.34, 3.65 A)
 &rst
  ixpk= 1866, nxpk= 25, iat= 912,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 916, 917,
 &end
#
#   62 SER  HN           62 SER  HB-         4.50    (#   1867:25  Unique         2.34, 3.65 A)
 &rst
  ixpk= 1867, nxpk= 25, iat= 912,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 916, 917,
 &end
#
#   63 ASP  HN           62 SER  HB-         4.50    (#   1868:25  Unique         2.01, 2.92 A)
 &rst
  ixpk= 1868, nxpk= 25, iat= 923,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 916, 917,
 &end
#
#   65 ILE  QD1          65 ILE  HA          5.50    (#   1870:25  Unique         3.81, 4.45 A)
 &rst
  ixpk= 1870, nxpk= 25, iat=  -1, 951, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 962, 963, 964,
 &end
#
#    0 AMB  25-2:1872    65 ILE  HA          4.50    (#   1872:25  Single Ambig)
 &rst
  ixpk= 1872, nxpk= 25, iat=  -1, 951, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 987, 988, 942, 943, 975, 976,
 &end
#
#    0 AMB  25-2:1873    65 ILE  HA          5.50    (#   1873:25  Single Ambig)
 &rst
  ixpk= 1873, nxpk= 25, iat=  -1, 951, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 942, 943, 972, 973,
 &end
#
#   35 SER  HB-          65 ILE  HA          3.50    (#   1875:25  Unique         2.10, 2.59 A)
 &rst
  ixpk= 1875, nxpk= 25, iat=  -1, 951, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 532, 533,
 &end
#
#   35 SER  HB+          65 ILE  HA          4.50    (#   1876:25  Unique         2.10, 2.59 A)
 &rst
  ixpk= 1876, nxpk= 25, iat=  -1, 951, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 532, 533,
 &end
#
#   68 PHE  HE           65 ILE  HA          4.50    (#   1879:25  Unique         2.09, 5.14 A)
 &rst
  ixpk= 1879, nxpk= 25, iat=  -1, 951, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1007,1011,
 &end
#
#    0 AMB  25-2:1880    65 ILE  HA          5.50    (#   1880:25  Single Ambig)
 &rst
  ixpk= 1880, nxpk= 25, iat=  -1, 951, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 539, 983,
 &end
#
#   65 ILE  HN           65 ILE  HA          3.50    (#   1881:25  Unique         2.73, 2.79 A)
 &rst
  ixpk= 1881, nxpk= 25, iat= 949, 951, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   66 GLU  HN           65 ILE  HA          5.50    (#   1882:25  Unique         3.40, 3.44 A)
 &rst
  ixpk= 1882, nxpk= 25, iat= 968, 951, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   36 GLY  HN           65 ILE  HB          5.50    (#   1883:25  Unique         2.22, 3.87 A)
 &rst
  ixpk= 1883, nxpk= 25, iat= 539, 953, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  25-2:1884    65 ILE  HB          5.50    (#   1884:25  Single Ambig)
 &rst
  ixpk= 1884, nxpk= 25, iat=  -1, 953, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1005,1013,1009,
 &end
#
#   37 LEU  HA           65 ILE  HB          5.50    (#   1886:25  Unique         3.44, 4.84 A)
 &rst
  ixpk= 1886, nxpk= 25, iat= 548, 953, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   65 ILE  HA           65 ILE  HB          3.50    (#   1887:25  Unique         2.44, 2.51 A)
 &rst
  ixpk= 1887, nxpk= 25, iat= 951, 953, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:1888    65 ILE  HB          3.50    (#   1888:25  Single Ambig)
 &rst
  ixpk= 1888, nxpk= 25, iat=  -1, 953, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 959, 960, 555, 556, 557, 559, 560, 561,
 &end
#
#   65 ILE  QG2          65 ILE  HB          2.80    (#   1889:25  Unique         2.36, 2.65 A)
 &rst
  ixpk= 1889, nxpk= 25, iat=  -1, 953, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 955, 956, 957,
 &end
#
#   65 ILE  QD1          65 ILE  HB          3.50    (#   1890:25  Unique         2.39, 3.03 A)
 &rst
  ixpk= 1890, nxpk= 25, iat=  -1, 953, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 962, 963, 964,
 &end
#
#   65 ILE  QD1          65 ILE  HG1-        3.50    (#   1891:25  Unique         2.39, 2.66 A)
 &rst
  ixpk= 1891, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 962, 963, 964,
 igr2= 959, 960,
 &end
#
#   65 ILE  QD1          65 ILE  HG1+        3.50    (#   1892:25  Unique         2.39, 2.66 A)
 &rst
  ixpk= 1892, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 962, 963, 964,
 igr2= 959, 960,
 &end
#
#   65 ILE  HB           65 ILE  HG1-        2.80    (#   1893:25  Unique         2.47, 2.79 A)
 &rst
  ixpk= 1893, nxpk= 25, iat= 953,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 959, 960,
 &end
#
#   65 ILE  HB           65 ILE  HG1+        3.50    (#   1894:25  Unique         2.47, 2.79 A)
 &rst
  ixpk= 1894, nxpk= 25, iat= 953,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 959, 960,
 &end
#
#   65 ILE  HA           65 ILE  HG1-        3.50    (#   1895:25  Unique         2.26, 2.72 A)
 &rst
  ixpk= 1895, nxpk= 25, iat= 951,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 959, 960,
 &end
#
#   65 ILE  HA           65 ILE  HG1+        5.50    (#   1896:25  Unique         2.26, 2.72 A)
 &rst
  ixpk= 1896, nxpk= 25, iat= 951,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 959, 960,
 &end
#
#   68 PHE  HD           65 ILE  HG1-        5.50    (#   1897:25  Unique         3.55, 5.45 A)
 &rst
  ixpk= 1897, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1005,1013,
 igr2= 959, 960,
 &end
#
#    0 AMB  25-2:1898     0 AMB  25-1:1898   5.50    (#   1898:25  Double Ambig)
 &rst
  ixpk= 1898, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1319,1005,1013,
 igr2= 959, 960, 959, 960,
 &end
#
#   90 TRP  HE1          65 ILE  HG1+        5.50    (#   1899:25  Unique         2.77, 4.08 A)
 &rst
  ixpk= 1899, nxpk= 25, iat=1316,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 959, 960,
 &end
#
#    7 VAL  MGX          65 ILE  QD1         3.50    (#   1900:25  Unique         2.26, 4.22 A)
 &rst
  ixpk= 1900, 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= 962, 963, 964,
 &end
#
#   65 ILE  HB           65 ILE  QD1         3.50    (#   1901:25  Unique         2.39, 3.03 A)
 &rst
  ixpk= 1901, nxpk= 25, iat= 953,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 962, 963, 964,
 &end
#
#    0 AMB  25-2:1902    65 ILE  QD1         5.50    (#   1902:25  Single Ambig)
 &rst
  ixpk= 1902, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1=1248,1249, 122,
 igr2= 962, 963, 964,
 &end
#
#    0 AMB  25-2:1903    65 ILE  QD1         5.50    (#   1903:25  Single Ambig)
 &rst
  ixpk= 1903, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1264,1265,1001,1002,
 igr2= 962, 963, 964,
 &end
#
#   65 ILE  HA           65 ILE  QD1         5.50    (#   1904:25  Unique         3.81, 4.45 A)
 &rst
  ixpk= 1904, nxpk= 25, iat= 951,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 962, 963, 964,
 &end
#
#   90 TRP  HE1          65 ILE  QG2         5.50    (#   1905:25  Unique         3.37, 4.97 A)
 &rst
  ixpk= 1905, nxpk= 25, iat=1316,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 955, 956, 957,
 &end
#
#   67 ASN  HN           65 ILE  QG2         5.50    (#   1906:25  Unique         5.02, 5.63 A)
 &rst
  ixpk= 1906, nxpk= 25, iat= 983,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 955, 956, 957,
 &end
#
#   90 TRP  HZ2          65 ILE  QG2         5.50    (#   1907:25  Unique         4.18, 5.77 A)
 &rst
  ixpk= 1907, nxpk= 25, iat=1319,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 955, 956, 957,
 &end
#
#   90 TRP  HD1          65 ILE  QG2         5.50    (#   1908:25  Unique         3.87, 5.66 A)
 &rst
  ixpk= 1908, nxpk= 25, iat=1314,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 955, 956, 957,
 &end
#
#   65 ILE  HA           65 ILE  QG2         4.50    (#   1910:25  Unique         3.73, 3.96 A)
 &rst
  ixpk= 1910, nxpk= 25, iat= 951,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 955, 956, 957,
 &end
#
#    0 AMB  25-2:1911    65 ILE  QG2         5.50    (#   1911:25  Single Ambig)
 &rst
  ixpk= 1911, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1310,1311,1001,1002,
 igr2= 955, 956, 957,
 &end
#
#    0 AMB  25-2:1912    65 ILE  QG2         3.50    (#   1912:25  Single Ambig)
 &rst
  ixpk= 1912, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 975, 976, 942, 943,1267,1268,
 igr2= 955, 956, 957,
 &end
#
#    0 AMB  25-2:1913    65 ILE  QG2         4.50    (#   1913:25  Single Ambig)
 &rst
  ixpk= 1913, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 972, 973, 942, 943,
 igr2= 955, 956, 957,
 &end
#
#   37 LEU  HG           65 ILE  QG2         3.50    (#   1914:25  Unique         2.38, 3.62 A)
 &rst
  ixpk= 1914, nxpk= 25, iat= 553,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 955, 956, 957,
 &end
#
#   65 ILE  HB           65 ILE  QG2         2.80    (#   1915:25  Unique         2.36, 2.65 A)
 &rst
  ixpk= 1915, nxpk= 25, iat= 953,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 955, 956, 957,
 &end
#
#   65 ILE  QD1           5 MET  ME          4.50    (#   1916:25  Unique         2.37, 5.16 A)
 &rst
  ixpk= 1916, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 962, 963, 964,
 igr2=  92,  93,  94,
 &end
#
#    0 AMB  25-2:1917    66 GLU  HA          5.50    (#   1917:25  Single Ambig)
 &rst
  ixpk= 1917, nxpk= 25, iat=  -1, 970, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 949,1031,
 &end
#
#   68 PHE  HN           66 GLU  HA          4.50    (#   1918:25  Unique         3.45, 3.65 A)
 &rst
  ixpk= 1918, nxpk= 25, iat= 997, 970, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   68 PHE  HD           66 GLU  HA          5.50    (#   1919:25  Unique         5.02, 7.01 A)
 &rst
  ixpk= 1919, nxpk= 25, iat=  -1, 970, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1005,1013,
 &end
#
#    0 AMB  25-2:1920    66 GLU  HA          2.80    (#   1920:25  Single Ambig)
 &rst
  ixpk= 1920, nxpk= 25, iat=  -1, 970, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 975, 976,1267,1268,
 &end
#
#   66 GLU  HB+          66 GLU  HA          2.80    (#   1921:25  Unique         2.39, 2.72 A)
 &rst
  ixpk= 1921, nxpk= 25, iat=  -1, 970, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 972, 973,
 &end
#
#   65 ILE  HB           66 GLU  HA          5.50    (#   1922:25  Unique         5.62, 5.66 A)
 &rst
  ixpk= 1922, nxpk= 25, iat= 953, 970, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   68 PHE  HN           66 GLU  HB+         5.50    (#   1923:25  Unique         4.84, 5.15 A)
 &rst
  ixpk= 1923, nxpk= 25, iat= 997,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 972, 973,
 &end
#
#   67 ASN  HN           66 GLU  HG+         5.50    (#   1924:25  Unique         3.52, 4.19 A)
 &rst
  ixpk= 1924, nxpk= 25, iat= 983,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 975, 976,
 &end
#
#    0 AMB  25-2:1925    67 ASN  HA          2.80    (#   1925:25  Single Ambig)
 &rst
  ixpk= 1925, nxpk= 25, iat=  -1, 985, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 987, 988, 975, 976,
 &end
#
#   67 ASN  HD2-         67 ASN  HA          4.50    (#   1926:25  Unique         2.81, 4.41 A)
 &rst
  ixpk= 1926, nxpk= 25, iat=  -1, 985, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 992, 993,
 &end
#
#   68 PHE  HD           67 ASN  HA          5.50    (#   1927:25  Unique         4.57, 6.20 A)
 &rst
  ixpk= 1927, nxpk= 25, iat=  -1, 985, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1005,1013,
 &end
#
#   67 ASN  HD2+         67 ASN  HB-         4.50    (#   1928:25  Unique         2.32, 3.19 A)
 &rst
  ixpk= 1928, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 992, 993,
 igr2= 987, 988,
 &end
#
#   67 ASN  HD2+         67 ASN  HB+         4.50    (#   1929:25  Unique         2.32, 3.19 A)
 &rst
  ixpk= 1929, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 992, 993,
 igr2= 987, 988,
 &end
#
#   68 PHE  HB-          68 PHE  HA          3.50    (#   1930:25  Unique         2.22, 2.77 A)
 &rst
  ixpk= 1930, nxpk= 25, iat=  -1, 999, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1001,1002,
 &end
#
#   68 PHE  HB+          68 PHE  HA          5.50    (#   1931:25  Unique         2.22, 2.77 A)
 &rst
  ixpk= 1931, nxpk= 25, iat=  -1, 999, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1001,1002,
 &end
#
#   68 PHE  HD           68 PHE  HA          4.50    (#   1932:25  Unique         2.76, 3.57 A)
 &rst
  ixpk= 1932, nxpk= 25, iat=  -1, 999, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1005,1013,
 &end
#
#   68 PHE  HN           68 PHE  HA          5.50    (#   1933:25  Unique         2.91, 2.97 A)
 &rst
  ixpk= 1933, nxpk= 25, iat= 997, 999, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   69 ASN  HN           68 PHE  HA          4.50    (#   1934:25  Unique         2.38, 2.45 A)
 &rst
  ixpk= 1934, nxpk= 25, iat=1017, 999, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   68 PHE  HA           68 PHE  HB-         3.50    (#   1935:25  Unique         2.22, 2.77 A)
 &rst
  ixpk= 1935, nxpk= 25, iat= 999,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1001,1002,
 &end
#
#   69 ASN  HN           69 ASN  HA          2.80    (#   1936:25  Unique         2.91, 2.95 A)
 &rst
  ixpk= 1936, nxpk= 25, iat=1017,1019, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   70 ALA  HN           69 ASN  HA          2.80    (#   1937:25  Unique         2.29, 2.39 A)
 &rst
  ixpk= 1937, nxpk= 25, iat=1031,1019, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   68 PHE  HD           69 ASN  HA          5.50    (#   1939:25  Unique         4.40, 6.46 A)
 &rst
  ixpk= 1939, nxpk= 25, iat=  -1,1019, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1005,1013,
 &end
#
#   69 ASN  HB+          69 ASN  HA          2.80    (#   1941:25  Unique         2.34, 2.69 A)
 &rst
  ixpk= 1941, nxpk= 25, iat=  -1,1019, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1021,1022,
 &end
#
#   69 ASN  HB-          69 ASN  HA          2.80    (#   1942:25  Unique         2.34, 2.69 A)
 &rst
  ixpk= 1942, nxpk= 25, iat=  -1,1019, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1021,1022,
 &end
#
#   70 ALA  MB           69 ASN  HA          4.50    (#   1943:25  Unique         4.28, 5.04 A)
 &rst
  ixpk= 1943, nxpk= 25, iat=  -1,1019, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1035,1036,1037,
 &end
#
#   69 ASN  HD2+         69 ASN  HB+         4.50    (#   1944:25  Unique         2.28, 3.16 A)
 &rst
  ixpk= 1944, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1026,1027,
 igr2=1021,1022,
 &end
#
#   69 ASN  HD2+         69 ASN  HB-         3.50    (#   1945:25  Unique         2.28, 3.16 A)
 &rst
  ixpk= 1945, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1026,1027,
 igr2=1021,1022,
 &end
#
#   72 ASP  HN           69 ASN  HB+         4.50    (#   1946:25  Unique         2.93, 4.34 A)
 &rst
  ixpk= 1946, nxpk= 25, iat=1053,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1021,1022,
 &end
#
#   70 ALA  HN           69 ASN  HB+         3.50    (#   1947:25  Unique         2.31, 3.80 A)
 &rst
  ixpk= 1947, nxpk= 25, iat=1031,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1021,1022,
 &end
#
#   70 ALA  HN           69 ASN  HB-         4.50    (#   1948:25  Unique         2.31, 3.80 A)
 &rst
  ixpk= 1948, nxpk= 25, iat=1031,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1021,1022,
 &end
#
#   70 ALA  MB           70 ALA  HA          3.50    (#   1949:25  Unique         2.37, 2.67 A)
 &rst
  ixpk= 1949, nxpk= 25, iat=  -1,1033, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1035,1036,1037,
 &end
#
#   71 ASP  HN           70 ALA  HA          3.50    (#   1950:25  Unique         2.22, 3.39 A)
 &rst
  ixpk= 1950, nxpk= 25, iat=1041,1033, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   70 ALA  HN           70 ALA  HA          2.80    (#   1951:25  Unique         2.93, 2.94 A)
 &rst
  ixpk= 1951, nxpk= 25, iat=1031,1033, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   93 GLN  HE2+         70 ALA  MB          4.50    (#   1953:25  Unique         2.29, 3.33 A)
 &rst
  ixpk= 1953, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1372,1373,
 igr2=1035,1036,1037,
 &end
#
#    0 AMB  25-2:1954    70 ALA  MB          5.50    (#   1954:25  Single Ambig)
 &rst
  ixpk= 1954, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1314,1330,
 igr2=1035,1036,1037,
 &end
#
#   93 GLN  HE2-         70 ALA  MB          5.50    (#   1955:25  Unique         2.29, 3.33 A)
 &rst
  ixpk= 1955, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1372,1373,
 igr2=1035,1036,1037,
 &end
#
#   69 ASN  HA           70 ALA  MB          5.50    (#   1956:25  Unique         4.28, 5.04 A)
 &rst
  ixpk= 1956, nxpk= 25, iat=1019,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1035,1036,1037,
 &end
#
#   93 GLN  HG+          70 ALA  MB          5.50    (#   1957:25  Unique         2.48, 4.09 A)
 &rst
  ixpk= 1957, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1367,1368,
 igr2=1035,1036,1037,
 &end
#
#   89 GLU  HB-          70 ALA  MB          4.50    (#   1958:25  Unique         2.16, 4.22 A)
 &rst
  ixpk= 1958, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1295,1296,
 igr2=1035,1036,1037,
 &end
#
#   89 GLU  HB+          70 ALA  MB          3.50    (#   1959:25  Unique         2.16, 4.22 A)
 &rst
  ixpk= 1959, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1295,1296,
 igr2=1035,1036,1037,
 &end
#
#   70 ALA  MB           71 ASP  HA          5.50    (#   1960:25  Unique         3.92, 4.79 A)
 &rst
  ixpk= 1960, nxpk= 25, iat=  -1,1043, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1035,1036,1037,
 &end
#
#   72 ASP  HN           71 ASP  HB+         3.50    (#   1961:25  Unique         2.51, 3.48 A)
 &rst
  ixpk= 1961, nxpk= 25, iat=1053,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1045,1046,
 &end
#
#   70 ALA  HN           71 ASP  HB-         5.50    (#   1962:25  Unique         3.91, 4.44 A)
 &rst
  ixpk= 1962, nxpk= 25, iat=1031,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1045,1046,
 &end
#
#   69 ASN  HD2+         71 ASP  HB+         4.50    (#   1963:25  Unique         2.25, 3.61 A)
 &rst
  ixpk= 1963, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1026,1027,
 igr2=1045,1046,
 &end
#
#   69 ASN  HD2+         71 ASP  HB-         4.50    (#   1964:25  Unique         2.25, 3.61 A)
 &rst
  ixpk= 1964, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1026,1027,
 igr2=1045,1046,
 &end
#
#   93 GLN  HE2-         71 ASP  HB+         5.50    (#   1965:25  Unique         3.58, 5.65 A)
 &rst
  ixpk= 1965, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1372,1373,
 igr2=1045,1046,
 &end
#
#   70 ALA  MB           71 ASP  HB-         5.50    (#   1967:25  Unique         4.52, 5.96 A)
 &rst
  ixpk= 1967, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1035,1036,1037,
 igr2=1045,1046,
 &end
#
#    0 AMB  25-2:1968    72 ASP  HB-         3.50    (#   1968:25  Single Ambig)
 &rst
  ixpk= 1968, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1026,1027,1075,1080,
 igr2=1057,1058,
 &end
#
#   73 TYR  HE           72 ASP  HB+         4.50    (#   1969:25  Unique         2.86, 5.91 A)
 &rst
  ixpk= 1969, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1075,1080,
 igr2=1057,1058,
 &end
#
#    3 LYS  HD+          72 ASP  HB+         5.50    (#   1970:25  Unique         3.94, 5.52 A)
 &rst
  ixpk= 1970, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=  53,  54,
 igr2=1057,1058,
 &end
#
#    3 LYS  HD+          72 ASP  HB-         5.50    (#   1971:25  Unique         3.94, 5.52 A)
 &rst
  ixpk= 1971, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=  53,  54,
 igr2=1057,1058,
 &end
#
#   73 TYR  HN           73 TYR  HA          3.50    (#   1973:25  Unique         2.97, 2.98 A)
 &rst
  ixpk= 1973, nxpk= 25, iat=1065,1067, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   73 TYR  HB+          73 TYR  HA          3.50    (#   1974:25  Unique         2.46, 2.79 A)
 &rst
  ixpk= 1974, nxpk= 25, iat=  -1,1067, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1069,1070,
 &end
#
#    3 LYS  HB+          73 TYR  HA          2.80    (#   1975:25  Unique         2.03, 2.95 A)
 &rst
  ixpk= 1975, nxpk= 25, iat=  -1,1067, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=  47,  48,
 &end
#
#    3 LYS  HG+          73 TYR  HA          3.50    (#   1976:25  Unique         3.13, 4.23 A)
 &rst
  ixpk= 1976, nxpk= 25, iat=  -1,1067, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=  50,  51,
 &end
#
#    3 LYS  HG-          73 TYR  HA          4.50    (#   1977:25  Unique         3.13, 4.23 A)
 &rst
  ixpk= 1977, nxpk= 25, iat=  -1,1067, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=  50,  51,
 &end
#
#   74 ASP  HA           73 TYR  HB+         5.50    (#   1978:25  Unique         4.27, 5.00 A)
 &rst
  ixpk= 1978, nxpk= 25, iat=1088,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1069,1070,
 &end
#
#   90 TRP  HH2          73 TYR  HB+         5.50    (#   1979:25  Unique         4.23, 5.37 A)
 &rst
  ixpk= 1979, nxpk= 25, iat=1321,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1069,1070,
 &end
#
#   74 ASP  HN           73 TYR  HB+         4.50    (#   1981:25  Unique         2.23, 3.43 A)
 &rst
  ixpk= 1981, nxpk= 25, iat=1086,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1069,1070,
 &end
#
#    3 LYS  HB+          73 TYR  HB+         4.50    (#   1984:25  Unique         3.41, 4.71 A)
 &rst
  ixpk= 1984, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=  47,  48,
 igr2=1069,1070,
 &end
#
#   76 VAL  MGX           0 AMB  25-1:1986   5.50    (#   1986:25  Single Ambig)
 &rst
  ixpk= 1986, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1=1120,1121,1122,1124,1125,1126,
 igr2=  85,  86,1069,1070,
 &end
#
#   74 ASP  HB+          74 ASP  HA          2.80    (#   1987:25  Unique         2.42, 2.74 A)
 &rst
  ixpk= 1987, nxpk= 25, iat=  -1,1088, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1090,1091,
 &end
#
#   74 ASP  HB-          74 ASP  HA          2.80    (#   1988:25  Unique         2.42, 2.74 A)
 &rst
  ixpk= 1988, nxpk= 25, iat=  -1,1088, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1090,1091,
 &end
#
#   74 ASP  HN           74 ASP  HA          3.50    (#   1989:25  Unique         2.82, 2.95 A)
 &rst
  ixpk= 1989, nxpk= 25, iat=1086,1088, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   79 LEU  HB-          79 LEU  HA          3.50    (#   1991:25  Unique         2.33, 2.79 A)
 &rst
  ixpk= 1991, nxpk= 25, iat=  -1,1162, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1164,1165,
 &end
#
#    0 AMB  25-2:1992    74 ASP  HA          4.50    (#   1992:25  Single Ambig)
 &rst
  ixpk= 1992, nxpk= 25, iat=  -1,1088, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1=1104,1105,1106,1108,1109,1110,1398,1399,1400,
 &end
#
#   75 VAL  MGX          74 ASP  HB-         2.80    (#   1993:25  Unique         2.33, 5.60 A)
 &rst
  ixpk= 1993, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1104,1105,1106,1108,1109,1110,
 igr2=1090,1091,
 &end
#
#    0 AMB  25-2:1994     0 AMB  25-1:1994   5.50    (#   1994:25  Double Ambig)
 &rst
  ixpk= 1994, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1=1983,1984,1985,  71,  72,  73,  75,  76,  77,
 igr2=1090,1091,1090,1091,
 &end
#
#    0 AMB  25-2:1995    74 ASP  HB-         5.50    (#   1995:25  Single Ambig)
 &rst
  ixpk= 1995, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=1983,1984,1985,  71,  72,  73,  75,  76,  77,
 igr2=1090,1091,
 &end
#
#    2 LYS  HB+          74 ASP  HB+         4.50    (#   1996:25  Unique         2.21, 3.51 A)
 &rst
  ixpk= 1996, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=  25,  26,
 igr2=1090,1091,
 &end
#
#    2 LYS  HB-          74 ASP  HB-         2.80    (#   1997:25  Unique         2.21, 3.51 A)
 &rst
  ixpk= 1997, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=  25,  26,
 igr2=1090,1091,
 &end
#
#    2 LYS  HB+          74 ASP  HB-         4.50    (#   1998:25  Unique         2.21, 3.51 A)
 &rst
  ixpk= 1998, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=  25,  26,
 igr2=1090,1091,
 &end
#
#    0 AMB  25-2:2001    74 ASP  HB-         5.50    (#   2001:25  Single Ambig)
 &rst
  ixpk= 2001, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1384,1385,1381,1382,
 igr2=1090,1091,
 &end
#
#   73 TYR  HA           74 ASP  HB+         5.50    (#   2004:25  Unique         4.28, 4.51 A)
 &rst
  ixpk= 2004, nxpk= 25, iat=1067,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1090,1091,
 &end
#
#    2 LYS  HA           74 ASP  HB+         5.50    (#   2005:25  Unique         2.69, 3.07 A)
 &rst
  ixpk= 2005, nxpk= 25, iat=  23,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1090,1091,
 &end
#
#    2 LYS  HA           74 ASP  HB-         4.50    (#   2006:25  Unique         2.69, 3.07 A)
 &rst
  ixpk= 2006, nxpk= 25, iat=  23,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1090,1091,
 &end
#
#    3 LYS  HN           74 ASP  HB+         4.50    (#   2007:25  Unique         2.59, 3.04 A)
 &rst
  ixpk= 2007, nxpk= 25, iat=  43,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1090,1091,
 &end
#
#    3 LYS  HN           74 ASP  HB-         3.50    (#   2008:25  Unique         2.59, 3.04 A)
 &rst
  ixpk= 2008, nxpk= 25, iat=  43,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1090,1091,
 &end
#
#   74 ASP  HN           74 ASP  HB+         3.50    (#   2009:25  Unique         2.37, 2.71 A)
 &rst
  ixpk= 2009, nxpk= 25, iat=1086,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1090,1091,
 &end
#
#    0 AMB  25-2:2010     0 AMB  25-1:2010   5.50    (#   2010:25  Double Ambig)
 &rst
  ixpk= 2010, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=  21,1377,1114,
 igr2=1090,1091,1090,1091,1090,1091,
 &end
#
#   75 VAL  HN           74 ASP  HB+         3.50    (#   2011:25  Unique         2.59, 3.38 A)
 &rst
  ixpk= 2011, nxpk= 25, iat=1098,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1090,1091,
 &end
#
#   75 VAL  HN           75 VAL  HA          3.50    (#   2012:25  Unique         2.95, 2.96 A)
 &rst
  ixpk= 2012, nxpk= 25, iat=1098,1100, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   95 ILE  HN           75 VAL  HA          3.50    (#   2013:25  Unique         3.01, 3.21 A)
 &rst
  ixpk= 2013, nxpk= 25, iat=1392,1100, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   76 VAL  HB           75 VAL  HA          4.50    (#   2014:25  Unique         4.32, 4.43 A)
 &rst
  ixpk= 2014, nxpk= 25, iat=1118,1100, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   75 VAL  HB           75 VAL  HA          3.50    (#   2015:25  Unique         2.25, 2.56 A)
 &rst
  ixpk= 2015, nxpk= 25, iat=1102,1100, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   93 GLN  HB-          75 VAL  HA          2.80    (#   2016:25  Unique         2.89, 3.31 A)
 &rst
  ixpk= 2016, nxpk= 25, iat=  -1,1100, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1364,1365,
 &end
#
#    0 AMB  25-2:2017    75 VAL  HA          5.50    (#   2017:25  Single Ambig)
 &rst
  ixpk= 2017, nxpk= 25, iat=  -1,1100, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1402,1403,  25,  26,
 &end
#
#    0 AMB  25-2:2018    75 VAL  HA          5.50    (#   2018:25  Single Ambig)
 &rst
  ixpk= 2018, nxpk= 25, iat=  -1,1100, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1120,1121,1122,1124,1125,1126,1402,1403,
 &end
#
#    0 AMB  25-2:2019    75 VAL  HA          5.50    (#   2019:25  Single Ambig)
 &rst
  ixpk= 2019, nxpk= 25, iat=  -1,1100, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=1120,1121,1122,1124,1125,1126,1909,1910,1911,1913,
      1914,1915,1909,1910,1911,1913,1914,1915,
 &end
#
#    0 AMB  25-2:2020    75 VAL  HA          3.50    (#   2020:25  Single Ambig)
 &rst
  ixpk= 2020, nxpk= 25, iat=  -1,1100, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1398,1399,1400,1104,1105,1106,1108,1109,1110,
 &end
#
#    4 VAL  MGX          75 VAL  HA          5.50    (#   2021:25  Unique         4.76, 6.48 A)
 &rst
  ixpk= 2021, nxpk= 25, iat=  -1,1100, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=  71,  72,  73,  75,  76,  77,
 &end
#
#    0 AMB  25-2:2022    75 VAL  HB          4.50    (#   2022:25  Single Ambig)
 &rst
  ixpk= 2022, nxpk= 25, iat=  -1,1102, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1402,1403,1120,1121,1122,1124,1125,1126,
 &end
#
#    4 VAL  MGX          75 VAL  MGX         4.50    (#   2025:25  Unique         2.09, 4.42 A)
 &rst
  ixpk= 2025, 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=1104,1105,1106,1108,1109,1110,
 &end
#
#    0 AMB  25-2:2026    75 VAL  MGX         2.80    (#   2026:25  Single Ambig)
 &rst
  ixpk= 2026, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
 igr1=1402,1403,  25,  26,1907,
 igr2=1104,1105,1106,1108,1109,1110,
 &end
#
#   75 VAL  HB           75 VAL  MGX         2.80    (#   2027:25  Unique         2.29, 2.62 A)
 &rst
  ixpk= 2027, nxpk= 25, iat=1102,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1104,1105,1106,1108,1109,1110,
 &end
#
#    0 AMB  25-2:2028    75 VAL  MGX         5.50    (#   2028:25  Single Ambig)
 &rst
  ixpk= 2028, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=1396,1364,1365,
 igr2=1104,1105,1106,1108,1109,1110,
 &end
#
#    0 AMB  25-2:2029    75 VAL  MGX         5.50    (#   2029:25  Single Ambig)
 &rst
  ixpk= 2029, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1=1367,1368,1904,1905,
 igr2=1104,1105,1106,1108,1109,1110,
 &end
#
#   76 VAL  HN           75 VAL  MGX         4.50    (#   2030:25  Unique         2.52, 4.31 A)
 &rst
  ixpk= 2030, nxpk= 25, iat=1114,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1104,1105,1106,1108,1109,1110,
 &end
#
#    5 MET  HN           75 VAL  MGX         5.50    (#   2031:25  Unique         2.93, 4.86 A)
 &rst
  ixpk= 2031, nxpk= 25, iat=  81,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1104,1105,1106,1108,1109,1110,
 &end
#
#   75 VAL  HN           75 VAL  MGX         2.80    (#   2032:25  Unique         2.22, 3.85 A)
 &rst
  ixpk= 2032, nxpk= 25, iat=1098,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1104,1105,1106,1108,1109,1110,
 &end
#
#    4 VAL  MGX          75 VAL  MGY         2.80    (#   2033:25  Unique         2.09, 4.42 A)
 &rst
  ixpk= 2033, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=  71,  72,  73,  75,  76,  77,
 igr2=1104,1105,1106,1108,1109,1110,
 &end
#
#   77 ILE  QD1          75 VAL  MGY         2.80    (#   2034:25  Unique         2.27, 5.30 A)
 &rst
  ixpk= 2034, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1143,1144,1145,
 igr2=1104,1105,1106,1108,1109,1110,
 &end
#
#    0 AMB  25-2:2035    75 VAL  MGY         4.50    (#   2035:25  Single Ambig)
 &rst
  ixpk= 2035, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=1907,  31,  32,
 igr2=1104,1105,1106,1108,1109,1110,
 &end
#
#    0 AMB  25-2:2036    75 VAL  MGY         4.50    (#   2036:25  Single Ambig)
 &rst
  ixpk= 2036, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=1396,1364,1365,
 igr2=1104,1105,1106,1108,1109,1110,
 &end
#
#   75 VAL  HB           75 VAL  MGY         2.80    (#   2037:25  Unique         2.29, 2.62 A)
 &rst
  ixpk= 2037, nxpk= 25, iat=1102,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1104,1105,1106,1108,1109,1110,
 &end
#
#   97 GLU  HG+          75 VAL  MGY         4.50    (#   2038:25  Unique         3.91, 7.44 A)
 &rst
  ixpk= 2038, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1438,1439,
 igr2=1104,1105,1106,1108,1109,1110,
 &end
#
#   74 ASP  HB-          75 VAL  MGY         5.50    (#   2039:25  Unique         2.33, 5.60 A)
 &rst
  ixpk= 2039, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1090,1091,
 igr2=1104,1105,1106,1108,1109,1110,
 &end
#
#  126 LEU  HA           75 VAL  MGY         5.50    (#   2040:25  Unique         5.13, 7.33 A)
 &rst
  ixpk= 2040, nxpk= 25, iat=1902,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1104,1105,1106,1108,1109,1110,
 &end
#
#    0 AMB  25-2:2041    75 VAL  MGY         5.50    (#   2041:25  Single Ambig)
 &rst
  ixpk= 2041, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=  23,1132,
 igr2=1104,1105,1106,1108,1109,1110,
 &end
#
#   95 ILE  HN           75 VAL  MGY         5.50    (#   2044:25  Unique         4.28, 5.91 A)
 &rst
  ixpk= 2044, nxpk= 25, iat=1392,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1104,1105,1106,1108,1109,1110,
 &end
#
#   75 VAL  HN           75 VAL  MGY         4.50    (#   2045:25  Unique         2.22, 3.85 A)
 &rst
  ixpk= 2045, nxpk= 25, iat=1098,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1104,1105,1106,1108,1109,1110,
 &end
#
#    5 MET  HN           75 VAL  MGY         4.50    (#   2046:25  Unique         2.93, 4.86 A)
 &rst
  ixpk= 2046, nxpk= 25, iat=  81,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1104,1105,1106,1108,1109,1110,
 &end
#
#   76 VAL  HN           76 VAL  HB          3.50    (#   2048:25  Unique         2.67, 2.74 A)
 &rst
  ixpk= 2048, nxpk= 25, iat=1114,1118, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   96 PHE  HA           76 VAL  HB          5.50    (#   2049:25  Unique         3.55, 4.35 A)
 &rst
  ixpk= 2049, nxpk= 25, iat=1413,1118, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  25-2:2050     0 AMB  25-1:2050   5.50    (#   2050:25  Double Ambig)
 &rst
  ixpk= 2050, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1415,1416, 254, 255,
 igr2=1118, 888, 889,
 &end
#
#    7 VAL  MGX          76 VAL  MGX         3.50    (#   2051:25  Unique         2.42, 6.57 A)
 &rst
  ixpk= 2051, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 124, 125, 126, 128, 129, 130,
 igr2=1120,1121,1122,1124,1125,1126,
 &end
#
#   86 LEU  HG           76 VAL  MGX         5.50    (#   2052:25  Unique         4.87, 7.16 A)
 &rst
  ixpk= 2052, nxpk= 25, iat=1251,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1120,1121,1122,1124,1125,1126,
 &end
#
#   76 VAL  HB           76 VAL  MGX         2.80    (#   2053:25  Unique         2.39, 2.68 A)
 &rst
  ixpk= 2053, nxpk= 25, iat=1118,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1120,1121,1122,1124,1125,1126,
 &end
#
#   90 TRP  HB-          76 VAL  MGX         4.50    (#   2054:25  Unique         2.07, 4.67 A)
 &rst
  ixpk= 2054, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1310,1311,
 igr2=1120,1121,1122,1124,1125,1126,
 &end
#
#    0 AMB  25-2:2056    76 VAL  MGX         3.50    (#   2056:25  Single Ambig)
 &rst
  ixpk= 2056, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1308,1332,
 igr2=1120,1121,1122,1124,1125,1126,
 &end
#
#   90 TRP  HH2          76 VAL  MGX         5.50    (#   2057:25  Unique         5.24, 6.46 A)
 &rst
  ixpk= 2057, nxpk= 25, iat=1321,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1120,1121,1122,1124,1125,1126,
 &end
#
#    0 AMB  25-2:2058    76 VAL  MGX         3.50    (#   2058:25  Single Ambig)
 &rst
  ixpk= 2058, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1323,1419,1427,
 igr2=1120,1121,1122,1124,1125,1126,
 &end
#
#   76 VAL  HN           76 VAL  MGX         5.50    (#   2059:25  Unique         3.23, 4.41 A)
 &rst
  ixpk= 2059, nxpk= 25, iat=1114,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1120,1121,1122,1124,1125,1126,
 &end
#
#    5 MET  HN           76 VAL  MGY         4.50    (#   2060:25  Unique         3.90, 5.12 A)
 &rst
  ixpk= 2060, nxpk= 25, iat=  81,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1120,1121,1122,1124,1125,1126,
 &end
#
#    0 AMB  25-2:2061    76 VAL  MGY         5.50    (#   2061:25  Single Ambig)
 &rst
  ixpk= 2061, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=1098, 118,1306,
 igr2=1120,1121,1122,1124,1125,1126,
 &end
#
#    0 AMB  25-2:2062    76 VAL  MGY         5.50    (#   2062:25  Single Ambig)
 &rst
  ixpk= 2062, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1065,1392,
 igr2=1120,1121,1122,1124,1125,1126,
 &end
#
#   93 GLN  HE2+         76 VAL  MGY         5.50    (#   2063:25  Unique         3.96, 6.60 A)
 &rst
  ixpk= 2063, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1372,1373,
 igr2=1120,1121,1122,1124,1125,1126,
 &end
#
#    0 AMB  25-2:2064    76 VAL  MGY         3.50    (#   2064:25  Single Ambig)
 &rst
  ixpk= 2064, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1323,1419,1427,
 igr2=1120,1121,1122,1124,1125,1126,
 &end
#
#   90 TRP  HH2          76 VAL  MGY         4.50    (#   2065:25  Unique         5.24, 6.46 A)
 &rst
  ixpk= 2065, nxpk= 25, iat=1321,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1120,1121,1122,1124,1125,1126,
 &end
#
#   75 VAL  HA           76 VAL  MGY         4.50    (#   2068:25  Unique         3.75, 5.77 A)
 &rst
  ixpk= 2068, nxpk= 25, iat=1100,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1120,1121,1122,1124,1125,1126,
 &end
#
#    0 AMB  25-2:2069    76 VAL  MGY         3.50    (#   2069:25  Single Ambig)
 &rst
  ixpk= 2069, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1308,1332,
 igr2=1120,1121,1122,1124,1125,1126,
 &end
#
#   90 TRP  HB+          76 VAL  MGY         5.50    (#   2070:25  Unique         2.07, 4.67 A)
 &rst
  ixpk= 2070, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1310,1311,
 igr2=1120,1121,1122,1124,1125,1126,
 &end
#
#   90 TRP  HB-          76 VAL  MGY         4.50    (#   2071:25  Unique         2.07, 4.67 A)
 &rst
  ixpk= 2071, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1310,1311,
 igr2=1120,1121,1122,1124,1125,1126,
 &end
#
#   93 GLN  HG+          76 VAL  MGY         3.50    (#   2072:25  Unique         2.17, 4.24 A)
 &rst
  ixpk= 2072, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1367,1368,
 igr2=1120,1121,1122,1124,1125,1126,
 &end
#
#   76 VAL  HB           76 VAL  MGY         2.80    (#   2073:25  Unique         2.39, 2.68 A)
 &rst
  ixpk= 2073, nxpk= 25, iat=1118,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1120,1121,1122,1124,1125,1126,
 &end
#
#   93 GLN  HG-          76 VAL  MGY         3.50    (#   2074:25  Unique         2.17, 4.24 A)
 &rst
  ixpk= 2074, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1367,1368,
 igr2=1120,1121,1122,1124,1125,1126,
 &end
#
#    5 MET  HG+          76 VAL  MGY         4.50    (#   2075:25  Unique         2.32, 4.69 A)
 &rst
  ixpk= 2075, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=  88,  89,
 igr2=1120,1121,1122,1124,1125,1126,
 &end
#
#   75 VAL  MGX          76 VAL  MGY         5.50    (#   2077:25  Unique         5.06, 7.50 A)
 &rst
  ixpk= 2077, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1=1104,1105,1106,1108,1109,1110,
 igr2=1120,1121,1122,1124,1125,1126,
 &end
#
#    0 AMB  25-2:2078    76 VAL  MGY         5.50    (#   2078:25  Single Ambig)
 &rst
  ixpk= 2078, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=11.22, r4=11.97,
 igr1=1336,1337,1338,1340,1341,1342,1104,1105,1106,1108,
      1109,1110,
 igr2=1120,1121,1122,1124,1125,1126,
 &end
#
#    7 VAL  MGX          76 VAL  MGY         5.50    (#   2079:25  Unique         2.42, 6.57 A)
 &rst
  ixpk= 2079, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1= 124, 125, 126, 128, 129, 130,
 igr2=1120,1121,1122,1124,1125,1126,
 &end
#
#   70 ALA  MB           76 VAL  MGY         5.50    (#   2080:25  Unique         2.51, 5.61 A)
 &rst
  ixpk= 2080, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=1035,1036,1037,
 igr2=1120,1121,1122,1124,1125,1126,
 &end
#
#   77 ILE  QG2          77 ILE  HA          3.50    (#   2081:25  Unique         2.43, 3.18 A)
 &rst
  ixpk= 2081, nxpk= 25, iat=  -1,1132, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1136,1137,1138,
 &end
#
#   77 ILE  HN           77 ILE  HB          3.50    (#   2082:25  Unique         2.46, 2.53 A)
 &rst
  ixpk= 2082, nxpk= 25, iat=1130,1134, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    6 PHE  HD           77 ILE  HB          3.50    (#   2083:25  Unique         2.74, 3.84 A)
 &rst
  ixpk= 2083, nxpk= 25, iat=  -1,1134, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 106, 114,
 &end
#
#    0 AMB  25-2:2084    77 ILE  HB          4.50    (#   2084:25  Single Ambig)
 &rst
  ixpk= 2084, nxpk= 25, iat=  -1,1134, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1151,  83,
 &end
#
#   77 ILE  HA           77 ILE  HB          5.50    (#   2085:25  Unique         3.01, 3.04 A)
 &rst
  ixpk= 2085, nxpk= 25, iat=1132,1134, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  25-2:2086    77 ILE  HB          5.50    (#   2086:25  Single Ambig)
 &rst
  ixpk= 2086, nxpk= 25, iat=  -1,1134, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=1909,1910,1911,1913,1914,1915,1909,1910,1911,1913,
      1914,1915,1120,1121,1122,1124,1125,1126,
 &end
#
#    0 AMB  25-2:2087    77 ILE  HB          4.50    (#   2087:25  Single Ambig)
 &rst
  ixpk= 2087, nxpk= 25, iat=  -1,1134, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1140,1141,1167,
 &end
#
#   77 ILE  HG1+         77 ILE  HB          3.50    (#   2088:25  Unique         2.35, 2.44 A)
 &rst
  ixpk= 2088, nxpk= 25, iat=  -1,1134, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1140,1141,
 &end
#
#   77 ILE  QD1          77 ILE  HB          5.50    (#   2089:25  Unique         3.75, 3.97 A)
 &rst
  ixpk= 2089, nxpk= 25, iat=  -1,1134, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1143,1144,1145,
 &end
#
#   77 ILE  QG2          77 ILE  HB          3.50    (#   2090:25  Unique         2.31, 2.63 A)
 &rst
  ixpk= 2090, nxpk= 25, iat=  -1,1134, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1136,1137,1138,
 &end
#
#   77 ILE  QG2          77 ILE  HG1-        5.50    (#   2091:25  Unique         2.38, 3.54 A)
 &rst
  ixpk= 2091, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1136,1137,1138,
 igr2=1140,1141,
 &end
#
#   77 ILE  QG2          77 ILE  HG1+        4.50    (#   2092:25  Unique         2.38, 3.54 A)
 &rst
  ixpk= 2092, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1136,1137,1138,
 igr2=1140,1141,
 &end
#
#   77 ILE  QD1          77 ILE  HG1-        3.50    (#   2093:25  Unique         2.32, 2.66 A)
 &rst
  ixpk= 2093, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1143,1144,1145,
 igr2=1140,1141,
 &end
#
#   77 ILE  QD1          77 ILE  HG1+        3.50    (#   2094:25  Unique         2.32, 2.66 A)
 &rst
  ixpk= 2094, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1143,1144,1145,
 igr2=1140,1141,
 &end
#
#   77 ILE  HB           77 ILE  HG1-        3.50    (#   2097:25  Unique         2.35, 2.44 A)
 &rst
  ixpk= 2097, nxpk= 25, iat=1134,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1140,1141,
 &end
#
#   77 ILE  HB           77 ILE  HG1+        3.50    (#   2098:25  Unique         2.35, 2.44 A)
 &rst
  ixpk= 2098, nxpk= 25, iat=1134,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1140,1141,
 &end
#
#   77 ILE  HA           77 ILE  HG1-        5.50    (#   2099:25  Unique         3.08, 3.55 A)
 &rst
  ixpk= 2099, nxpk= 25, iat=1132,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1140,1141,
 &end
#
#    6 PHE  HD           77 ILE  HG1-        5.50    (#   2100:25  Unique         2.83, 4.60 A)
 &rst
  ixpk= 2100, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 106, 114,
 igr2=1140,1141,
 &end
#
#    6 PHE  HD           77 ILE  HG1+        5.50    (#   2101:25  Unique         2.83, 4.60 A)
 &rst
  ixpk= 2101, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 106, 114,
 igr2=1140,1141,
 &end
#
#    0 AMB  25-2:2102    77 ILE  HG1-        5.50    (#   2102:25  Single Ambig)
 &rst
  ixpk= 2102, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1130,  81,
 igr2=1140,1141,
 &end
#
#   99 TRP  HE1          77 ILE  QD1         5.50    (#   2103:25  Unique         3.45, 6.24 A)
 &rst
  ixpk= 2103, nxpk= 25, iat=1468,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1143,1144,1145,
 &end
#
#   78 SER  HN           77 ILE  QD1         5.50    (#   2104:25  Unique         3.93, 5.05 A)
 &rst
  ixpk= 2104, nxpk= 25, iat=1149,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1143,1144,1145,
 &end
#
#   97 GLU  HN           77 ILE  QD1         5.50    (#   2105:25  Unique         1.93, 3.40 A)
 &rst
  ixpk= 2105, nxpk= 25, iat=1431,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1143,1144,1145,
 &end
#
#   99 TRP  HZ2          77 ILE  QD1         4.50    (#   2106:25  Unique         3.47, 4.70 A)
 &rst
  ixpk= 2106, nxpk= 25, iat=1471,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1143,1144,1145,
 &end
#
#    0 AMB  25-2:2107    77 ILE  QD1         4.50    (#   2107:25  Single Ambig)
 &rst
  ixpk= 2107, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 106, 114,1466,
 igr2=1143,1144,1145,
 &end
#
#   77 ILE  HA           77 ILE  QD1         3.50    (#   2108:25  Unique         2.17, 3.18 A)
 &rst
  ixpk= 2108, nxpk= 25, iat=1132,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1143,1144,1145,
 &end
#
#   97 GLU  HG+          77 ILE  QD1         5.50    (#   2109:25  Unique         2.43, 3.84 A)
 &rst
  ixpk= 2109, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1438,1439,
 igr2=1143,1144,1145,
 &end
#
#    0 AMB  25-2:2110    77 ILE  QD1         3.50    (#   2110:25  Single Ambig)
 &rst
  ixpk= 2110, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1435,1436,1438,1439,
 igr2=1143,1144,1145,
 &end
#
#   97 GLU  HB-          77 ILE  QD1         3.50    (#   2111:25  Unique         2.08, 3.54 A)
 &rst
  ixpk= 2111, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1435,1436,
 igr2=1143,1144,1145,
 &end
#
#   77 ILE  HB           77 ILE  QD1         4.50    (#   2112:25  Unique         3.75, 3.97 A)
 &rst
  ixpk= 2112, nxpk= 25, iat=1134,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1143,1144,1145,
 &end
#
#   77 ILE  HG1+         77 ILE  QD1         3.50    (#   2113:25  Unique         2.32, 2.66 A)
 &rst
  ixpk= 2113, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1140,1141,
 igr2=1143,1144,1145,
 &end
#
#   77 ILE  QD1          77 ILE  QG2         2.80    (#   2114:25  Unique         2.34, 3.73 A)
 &rst
  ixpk= 2114, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1=1143,1144,1145,
 igr2=1136,1137,1138,
 &end
#
#   77 ILE  HG1+         77 ILE  QG2         4.50    (#   2115:25  Unique         2.38, 3.54 A)
 &rst
  ixpk= 2115, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1140,1141,
 igr2=1136,1137,1138,
 &end
#
#    0 AMB  25-2:2116    77 ILE  QG2         4.50    (#   2116:25  Single Ambig)
 &rst
  ixpk= 2116, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1=1909,1910,1911,1913,1914,1915,1909,1910,1911,1913,
      1914,1915,
 igr2=1136,1137,1138,
 &end
#
#   79 LEU  HB-          77 ILE  QG2         4.50    (#   2117:25  Unique         3.90, 6.06 A)
 &rst
  ixpk= 2117, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1164,1165,
 igr2=1136,1137,1138,
 &end
#
#    0 AMB  25-2:2118    77 ILE  QG2         5.50    (#   2118:25  Single Ambig)
 &rst
  ixpk= 2118, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1438,1439,1904,1905,
 igr2=1136,1137,1138,
 &end
#
#   77 ILE  HA           77 ILE  QG2         3.50    (#   2119:25  Unique         2.43, 3.18 A)
 &rst
  ixpk= 2119, nxpk= 25, iat=1132,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1136,1137,1138,
 &end
#
#    0 AMB  25-2:2120    77 ILE  QG2         5.50    (#   2120:25  Single Ambig)
 &rst
  ixpk= 2120, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1448,1151,
 igr2=1136,1137,1138,
 &end
#
#   80 CYS  HN           77 ILE  QG2         5.50    (#   2121:25  Unique         5.65, 6.84 A)
 &rst
  ixpk= 2121, nxpk= 25, iat=1179,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1136,1137,1138,
 &end
#
#   79 LEU  HN           77 ILE  QG2         5.50    (#   2122:25  Unique         2.18, 4.89 A)
 &rst
  ixpk= 2122, nxpk= 25, iat=1160,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1136,1137,1138,
 &end
#
#   78 SER  HN           77 ILE  QG2         5.50    (#   2123:25  Unique         2.53, 3.59 A)
 &rst
  ixpk= 2123, nxpk= 25, iat=1149,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1136,1137,1138,
 &end
#
#   79 LEU  HA           77 ILE  QG2         5.50    (#   2124:25  Unique         3.20, 4.81 A)
 &rst
  ixpk= 2124, nxpk= 25, iat=1162,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1136,1137,1138,
 &end
#
#    7 VAL  MGY          36 GLY  HA-         5.50    (#   2130:25  Unique         2.24, 6.17 A)
 &rst
  ixpk= 2130, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 124, 125, 126, 128, 129, 130,
 igr2= 541, 542,
 &end
#
#   85 ASN  HD2+         85 ASN  HB-         5.50    (#   2132:25  Unique         2.34, 3.30 A)
 &rst
  ixpk= 2132, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1239,1240,
 igr2=1234,1235,
 &end
#
#  125 ASN  HD2+        125 ASN  HB-         2.80    (#   2133:25  Unique         2.29, 3.41 A)
 &rst
  ixpk= 2133, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1895,1896,
 igr2=1890,1891,
 &end
#
#   84 VAL  HA           85 ASN  HB+         5.50    (#   2134:25  Unique         4.26, 4.60 A)
 &rst
  ixpk= 2134, nxpk= 25, iat=1216,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1234,1235,
 &end
#
#   37 LEU  MDY          85 ASN  HB+         4.50    (#   2136:25  Unique         2.38, 5.57 A)
 &rst
  ixpk= 2136, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 555, 556, 557, 559, 560, 561,
 igr2=1234,1235,
 &end
#
#   37 LEU  MDY          85 ASN  HB-         4.50    (#   2137:25  Unique         2.38, 5.57 A)
 &rst
  ixpk= 2137, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 555, 556, 557, 559, 560, 561,
 igr2=1234,1235,
 &end
#
#   86 LEU  HN           86 LEU  HA          5.50    (#   2138:25  Unique         2.73, 2.92 A)
 &rst
  ixpk= 2138, nxpk= 25, iat=1244,1246, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   87 PRO  HD+          86 LEU  HA          2.80    (#   2139:25  Unique         2.02, 2.43 A)
 &rst
  ixpk= 2139, nxpk= 25, iat=  -1,1246, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1264,1265,
 &end
#
#   87 PRO  HD-          86 LEU  HA          2.80    (#   2141:25  Unique         2.02, 2.43 A)
 &rst
  ixpk= 2141, nxpk= 25, iat=  -1,1246, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1264,1265,
 &end
#
#    0 AMB  25-2:2142    86 LEU  HA          4.50    (#   2142:25  Single Ambig)
 &rst
  ixpk= 2142, nxpk= 25, iat=  -1,1246, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 975, 976,1267,1268,
 &end
#
#   86 LEU  HB+          86 LEU  HA          3.50    (#   2143:25  Unique         2.30, 2.61 A)
 &rst
  ixpk= 2143, nxpk= 25, iat=  -1,1246, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1248,1249,
 &end
#
#   86 LEU  HB-          86 LEU  HA          3.50    (#   2144:25  Unique         2.30, 2.61 A)
 &rst
  ixpk= 2144, nxpk= 25, iat=  -1,1246, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1248,1249,
 &end
#
#   37 LEU  MDX          86 LEU  HA          5.50    (#   2145:25  Unique         2.53, 4.85 A)
 &rst
  ixpk= 2145, nxpk= 25, iat=  -1,1246, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 555, 556, 557, 559, 560, 561,
 &end
#
#   86 LEU  HN           86 LEU  HB+         3.50    (#   2146:25  Unique         2.40, 3.06 A)
 &rst
  ixpk= 2146, nxpk= 25, iat=1244,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1248,1249,
 &end
#
#   86 LEU  HN           86 LEU  HB-         4.50    (#   2147:25  Unique         2.40, 3.06 A)
 &rst
  ixpk= 2147, nxpk= 25, iat=1244,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1248,1249,
 &end
#
#   90 TRP  HD1          86 LEU  HB-         5.50    (#   2148:25  Unique         3.03, 4.98 A)
 &rst
  ixpk= 2148, nxpk= 25, iat=1314,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1248,1249,
 &end
#
#   86 LEU  HA           86 LEU  HB+         4.50    (#   2149:25  Unique         2.30, 2.61 A)
 &rst
  ixpk= 2149, nxpk= 25, iat=1246,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1248,1249,
 &end
#
#   86 LEU  HA           86 LEU  HB-         3.50    (#   2150:25  Unique         2.30, 2.61 A)
 &rst
  ixpk= 2150, nxpk= 25, iat=1246,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1248,1249,
 &end
#
#    0 AMB  25-2:2151    86 LEU  HB-         5.50    (#   2151:25  Single Ambig)
 &rst
  ixpk= 2151, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1264,1265,1209,1210,
 igr2=1248,1249,
 &end
#
#   87 PRO  HD-          86 LEU  HB-         4.50    (#   2152:25  Unique         2.34, 4.29 A)
 &rst
  ixpk= 2152, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1264,1265,
 igr2=1248,1249,
 &end
#
#    0 AMB  25-2:2155    86 LEU  HB-         3.50    (#   2155:25  Single Ambig)
 &rst
  ixpk= 2155, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1253,1254,1255,1257,1258,1259, 955, 956, 957,
 igr2=1248,1249,
 &end
#
#   86 LEU  MDY          86 LEU  HB-         3.50    (#   2156:25  Unique         2.37, 3.33 A)
 &rst
  ixpk= 2156, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1253,1254,1255,1257,1258,1259,
 igr2=1248,1249,
 &end
#
#   86 LEU  MDY          86 LEU  HB+         4.50    (#   2157:25  Unique         2.37, 3.33 A)
 &rst
  ixpk= 2157, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1253,1254,1255,1257,1258,1259,
 igr2=1248,1249,
 &end
#
#   91 VAL  MGX          86 LEU  HB+         5.50    (#   2158:25  Unique         3.72, 6.52 A)
 &rst
  ixpk= 2158, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1336,1337,1338,1340,1341,1342,
 igr2=1248,1249,
 &end
#
#   91 VAL  MGX          86 LEU  HB-         5.50    (#   2159:25  Unique         3.72, 6.52 A)
 &rst
  ixpk= 2159, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1336,1337,1338,1340,1341,1342,
 igr2=1248,1249,
 &end
#
#   65 ILE  QD1          86 LEU  HB-         5.50    (#   2160:25  Unique         2.33, 5.90 A)
 &rst
  ixpk= 2160, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 962, 963, 964,
 igr2=1248,1249,
 &end
#
#   86 LEU  HN           86 LEU  HG          5.50    (#   2161:25  Unique         3.70, 4.14 A)
 &rst
  ixpk= 2161, nxpk= 25, iat=1244,1251, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   86 LEU  HN           86 LEU  MDX         5.50    (#   2162:25  Unique         2.20, 4.87 A)
 &rst
  ixpk= 2162, nxpk= 25, iat=1244,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1253,1254,1255,1257,1258,1259,
 &end
#
#   86 LEU  HA           86 LEU  MDX         4.50    (#   2165:25  Unique         2.24, 4.25 A)
 &rst
  ixpk= 2165, nxpk= 25, iat=1246,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1253,1254,1255,1257,1258,1259,
 &end
#
#   78 SER  HB-          86 LEU  MDX         4.50    (#   2168:25  Unique         3.25, 6.46 A)
 &rst
  ixpk= 2168, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1153,1154,
 igr2=1253,1254,1255,1257,1258,1259,
 &end
#
#   90 TRP  HB+          86 LEU  MDX         3.50    (#   2169:25  Unique         2.29, 3.84 A)
 &rst
  ixpk= 2169, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1310,1311,
 igr2=1253,1254,1255,1257,1258,1259,
 &end
#
#   90 TRP  HB-          86 LEU  MDX         4.50    (#   2170:25  Unique         2.29, 3.84 A)
 &rst
  ixpk= 2170, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1310,1311,
 igr2=1253,1254,1255,1257,1258,1259,
 &end
#
#   86 LEU  HG           86 LEU  MDX         2.80    (#   2172:25  Unique         2.39, 2.67 A)
 &rst
  ixpk= 2172, nxpk= 25, iat=1251,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1253,1254,1255,1257,1258,1259,
 &end
#
#   86 LEU  HB-          86 LEU  MDX         2.80    (#   2173:25  Unique         2.37, 3.33 A)
 &rst
  ixpk= 2173, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1248,1249,
 igr2=1253,1254,1255,1257,1258,1259,
 &end
#
#   91 VAL  MGX          86 LEU  MDX         3.50    (#   2174:25  Unique         2.35, 5.70 A)
 &rst
  ixpk= 2174, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1336,1337,1338,1340,1341,1342,
 igr2=1253,1254,1255,1257,1258,1259,
 &end
#
#   65 ILE  QD1          86 LEU  MDY         4.50    (#   2175:25  Unique         2.33, 5.03 A)
 &rst
  ixpk= 2175, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 962, 963, 964,
 igr2=1253,1254,1255,1257,1258,1259,
 &end
#
#   86 LEU  HB-          86 LEU  MDY         2.80    (#   2176:25  Unique         2.37, 3.33 A)
 &rst
  ixpk= 2176, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1248,1249,
 igr2=1253,1254,1255,1257,1258,1259,
 &end
#
#   86 LEU  HG           86 LEU  MDY         2.80    (#   2177:25  Unique         2.39, 2.67 A)
 &rst
  ixpk= 2177, nxpk= 25, iat=1251,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1253,1254,1255,1257,1258,1259,
 &end
#
#   87 PRO  HG-          86 LEU  MDY         5.50    (#   2179:25  Unique         4.53, 7.28 A)
 &rst
  ixpk= 2179, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1267,1268,
 igr2=1253,1254,1255,1257,1258,1259,
 &end
#
#   90 TRP  HB-          86 LEU  MDY         4.50    (#   2181:25  Unique         2.29, 3.84 A)
 &rst
  ixpk= 2181, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1310,1311,
 igr2=1253,1254,1255,1257,1258,1259,
 &end
#
#   87 PRO  HD-          86 LEU  MDY         4.50    (#   2182:25  Unique         2.20, 5.30 A)
 &rst
  ixpk= 2182, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1264,1265,
 igr2=1253,1254,1255,1257,1258,1259,
 &end
#
#   86 LEU  HN           86 LEU  MDY         5.50    (#   2186:25  Unique         2.20, 4.87 A)
 &rst
  ixpk= 2186, nxpk= 25, iat=1244,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1253,1254,1255,1257,1258,1259,
 &end
#
#   89 GLU  HN           88 PRO  HA          5.50    (#   2187:25  Unique         3.45, 3.57 A)
 &rst
  ixpk= 2187, nxpk= 25, iat=1291,1287, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   90 TRP  HN           88 PRO  HA          5.50    (#   2188:25  Unique         3.53, 3.58 A)
 &rst
  ixpk= 2188, nxpk= 25, iat=1306,1287, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   46 ALA  HN           44 PRO  HA          4.50    (#   2189:25  Unique         3.63, 4.11 A)
 &rst
  ixpk= 2189, nxpk= 25, iat= 687, 669, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   91 VAL  HN           88 PRO  HA          4.50    (#   2190:25  Unique         2.78, 3.12 A)
 &rst
  ixpk= 2190, nxpk= 25, iat=1330,1287, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:2191    88 PRO  HA          4.50    (#   2191:25  Single Ambig)
 &rst
  ixpk= 2191, nxpk= 25, iat=  -1,1287, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1278,1279,1209,1210,
 &end
#
#   88 PRO  HB+          88 PRO  HA          2.80    (#   2192:25  Unique         2.30, 2.61 A)
 &rst
  ixpk= 2192, nxpk= 25, iat=  -1,1287, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1284,1285,
 &end
#
#    0 AMB  25-2:2193     0 AMB  25-1:2193   3.50    (#   2193:25  Double Ambig)
 &rst
  ixpk= 2193, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 666, 667,1284,1285,1281,1282,
 igr2= 669,1287,
 &end
#
#    0 AMB  25-2:2194    88 PRO  HA          4.50    (#   2194:25  Single Ambig)
 &rst
  ixpk= 2194, nxpk= 25, iat=  -1,1287, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1270,1271,1298,1299,
 &end
#
#    0 AMB  25-2:2195     0 AMB  25-1:2195   4.50    (#   2195:25  Double Ambig)
 &rst
  ixpk= 2195, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1334, 691, 692, 693,
 igr2=1287, 669,
 &end
#
#   92 THR  MG2          88 PRO  HA          5.50    (#   2196:25  Unique         3.83, 5.15 A)
 &rst
  ixpk= 2196, nxpk= 25, iat=  -1,1287, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1352,1353,1354,
 &end
#
#   91 VAL  MGX          88 PRO  HA          5.50    (#   2197:25  Unique         2.04, 3.75 A)
 &rst
  ixpk= 2197, nxpk= 25, iat=  -1,1287, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1336,1337,1338,1340,1341,1342,
 &end
#
#   47 ILE  HG1-         44 PRO  HA          5.50    (#   2198:25  Unique         3.69, 4.62 A)
 &rst
  ixpk= 2198, nxpk= 25, iat=  -1, 669, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 707, 708,
 &end
#
#   44 PRO  HD-          44 PRO  HB+         4.50    (#   2199:25  Unique         2.65, 3.65 A)
 &rst
  ixpk= 2199, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 660, 661,
 igr2= 666, 667,
 &end
#
#   44 PRO  HD-          44 PRO  HB-         3.50    (#   2200:25  Unique         2.65, 3.65 A)
 &rst
  ixpk= 2200, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 660, 661,
 igr2= 666, 667,
 &end
#
#    0 AMB  25-2:2203    25 LEU  HG          5.50    (#   2203:25  Single Ambig)
 &rst
  ixpk= 2203, nxpk= 25, iat=  -1, 400, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 414, 415, 359,
 &end
#
#   44 PRO  HB+          44 PRO  HD-         4.50    (#   2205:25  Unique         2.65, 3.65 A)
 &rst
  ixpk= 2205, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 666, 667,
 igr2= 660, 661,
 &end
#
#    0 AMB  25-2:2206     0 AMB  25-1:2206   2.80    (#   2206:25  Double Ambig)
 &rst
  ixpk= 2206, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 663, 664, 666, 667,
 igr2= 660, 661, 660, 661,
 &end
#
#   44 PRO  HB+          44 PRO  HD+         4.50    (#   2207:25  Unique         2.65, 3.65 A)
 &rst
  ixpk= 2207, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 666, 667,
 igr2= 660, 661,
 &end
#
#   43 HIS  HA           44 PRO  HD+         2.80    (#   2210:25  Unique         2.24, 2.47 A)
 &rst
  ixpk= 2210, nxpk= 25, iat= 644,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 660, 661,
 &end
#
#   44 PRO  HA           44 PRO  HD+         4.50    (#   2211:25  Unique         3.18, 3.72 A)
 &rst
  ixpk= 2211, nxpk= 25, iat= 669,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 660, 661,
 &end
#
#   44 PRO  HA           44 PRO  HD-         5.50    (#   2212:25  Unique         3.18, 3.72 A)
 &rst
  ixpk= 2212, nxpk= 25, iat= 669,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 660, 661,
 &end
#
#   43 HIS  HB-          44 PRO  HD+         5.50    (#   2213:25  Unique         2.14, 4.16 A)
 &rst
  ixpk= 2213, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 646, 647,
 igr2= 660, 661,
 &end
#
#   43 HIS  HB+          44 PRO  HD-         5.50    (#   2214:25  Unique         2.14, 4.16 A)
 &rst
  ixpk= 2214, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 646, 647,
 igr2= 660, 661,
 &end
#
#   70 ALA  MB           89 GLU  HA          4.50    (#   2215:25  Unique         3.94, 4.90 A)
 &rst
  ixpk= 2215, nxpk= 25, iat=  -1,1293, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1035,1036,1037,
 &end
#
#   92 THR  MG2          89 GLU  HA          3.50    (#   2216:25  Unique         2.20, 3.80 A)
 &rst
  ixpk= 2216, nxpk= 25, iat=  -1,1293, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1352,1353,1354,
 &end
#
#   89 GLU  HB+          89 GLU  HA          2.80    (#   2217:25  Unique         2.39, 2.46 A)
 &rst
  ixpk= 2217, nxpk= 25, iat=  -1,1293, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1295,1296,
 &end
#
#   89 GLU  HB-          89 GLU  HA          2.80    (#   2218:25  Unique         2.39, 2.46 A)
 &rst
  ixpk= 2218, nxpk= 25, iat=  -1,1293, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1295,1296,
 &end
#
#   89 GLU  HG+          89 GLU  HA          3.50    (#   2219:25  Unique         3.39, 3.84 A)
 &rst
  ixpk= 2219, nxpk= 25, iat=  -1,1293, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1298,1299,
 &end
#
#   93 GLN  HE2-         89 GLU  HA          5.50    (#   2221:25  Unique         3.38, 4.24 A)
 &rst
  ixpk= 2221, nxpk= 25, iat=  -1,1293, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1372,1373,
 &end
#
#   89 GLU  HN           89 GLU  HA          2.80    (#   2223:25  Unique         2.73, 2.81 A)
 &rst
  ixpk= 2223, nxpk= 25, iat=1291,1293, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   89 GLU  HN           89 GLU  HB-         3.50    (#   2224:25  Unique         2.39, 3.06 A)
 &rst
  ixpk= 2224, nxpk= 25, iat=1291,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1295,1296,
 &end
#
#   89 GLU  HN           89 GLU  HB+         3.50    (#   2225:25  Unique         2.39, 3.06 A)
 &rst
  ixpk= 2225, nxpk= 25, iat=1291,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1295,1296,
 &end
#
#   90 TRP  HN           89 GLU  HB-         4.50    (#   2226:25  Unique         2.30, 4.20 A)
 &rst
  ixpk= 2226, nxpk= 25, iat=1306,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1295,1296,
 &end
#
#   93 GLN  HE2+         89 GLU  HB-         5.50    (#   2227:25  Unique         2.74, 4.31 A)
 &rst
  ixpk= 2227, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1372,1373,
 igr2=1295,1296,
 &end
#
#    0 AMB  25-2:2228     0 AMB  25-1:2228   5.50    (#   2228:25  Double Ambig)
 &rst
  ixpk= 2228, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1=1372,1373,1471,
 igr2=1295,1296,1907,
 &end
#
#    0 AMB  25-2:2229    89 GLU  HB-         5.50    (#   2229:25  Single Ambig)
 &rst
  ixpk= 2229, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1314,1330,
 igr2=1295,1296,
 &end
#
#   89 GLU  HA           89 GLU  HB-         2.80    (#   2230:25  Unique         2.39, 2.46 A)
 &rst
  ixpk= 2230, nxpk= 25, iat=1293,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1295,1296,
 &end
#
#   89 GLU  HA           89 GLU  HB+         2.80    (#   2231:25  Unique         2.39, 2.46 A)
 &rst
  ixpk= 2231, nxpk= 25, iat=1293,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1295,1296,
 &end
#
#    0 AMB  25-2:2232    89 GLU  HB-         5.50    (#   2232:25  Single Ambig)
 &rst
  ixpk= 2232, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1308,1043,
 igr2=1295,1296,
 &end
#
#   89 GLU  HG-          89 GLU  HB+         2.80    (#   2233:25  Unique         2.25, 2.74 A)
 &rst
  ixpk= 2233, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1298,1299,
 igr2=1295,1296,
 &end
#
#   70 ALA  MB           89 GLU  HB+         3.50    (#   2235:25  Unique         2.16, 4.22 A)
 &rst
  ixpk= 2235, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1035,1036,1037,
 igr2=1295,1296,
 &end
#
#   23 LYS  HE+          19 GLU  HG+         5.50    (#   2236:25  Unique         3.20, 5.30 A)
 &rst
  ixpk= 2236, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 370, 371,
 igr2= 312, 313,
 &end
#
#    0 AMB  25-2:2237     0 AMB  25-1:2237   4.50    (#   2237:25  Double Ambig)
 &rst
  ixpk= 2237, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 370, 371,1961,1962,
 igr2= 312, 313,1438,1439,
 &end
#
#   90 TRP  HN           89 GLU  HG+         3.50    (#   2238:25  Unique         2.74, 3.31 A)
 &rst
  ixpk= 2238, nxpk= 25, iat=1306,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1298,1299,
 &end
#
#   90 TRP  HN           89 GLU  HG-         3.50    (#   2239:25  Unique         2.74, 3.31 A)
 &rst
  ixpk= 2239, nxpk= 25, iat=1306,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1298,1299,
 &end
#
#   93 GLN  HE2+         90 TRP  HA          5.50    (#   2240:25  Unique         3.34, 4.37 A)
 &rst
  ixpk= 2240, nxpk= 25, iat=  -1,1308, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1372,1373,
 &end
#
#   93 GLN  HE2-         90 TRP  HA          5.50    (#   2241:25  Unique         3.34, 4.37 A)
 &rst
  ixpk= 2241, nxpk= 25, iat=  -1,1308, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1372,1373,
 &end
#
#   90 TRP  HB+          90 TRP  HA          2.80    (#   2242:25  Unique         2.49, 2.78 A)
 &rst
  ixpk= 2242, nxpk= 25, iat=  -1,1308, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1310,1311,
 &end
#
#   90 TRP  HB-          90 TRP  HA          3.50    (#   2243:25  Unique         2.49, 2.78 A)
 &rst
  ixpk= 2243, nxpk= 25, iat=  -1,1308, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1310,1311,
 &end
#
#   93 GLN  HG+          90 TRP  HA          4.50    (#   2244:25  Unique         2.81, 3.57 A)
 &rst
  ixpk= 2244, nxpk= 25, iat=  -1,1308, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1367,1368,
 &end
#
#   93 GLN  HG-          90 TRP  HA          4.50    (#   2245:25  Unique         2.81, 3.57 A)
 &rst
  ixpk= 2245, nxpk= 25, iat=  -1,1308, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1367,1368,
 &end
#
#   76 VAL  MGY          90 TRP  HA          3.50    (#   2246:25  Unique         2.53, 3.93 A)
 &rst
  ixpk= 2246, nxpk= 25, iat=  -1,1308, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1120,1121,1122,1124,1125,1126,
 &end
#
#   76 VAL  MGX          90 TRP  HA          5.50    (#   2247:25  Unique         2.53, 3.93 A)
 &rst
  ixpk= 2247, nxpk= 25, iat=  -1,1308, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1120,1121,1122,1124,1125,1126,
 &end
#
#   91 VAL  MGX          90 TRP  HB+         5.50    (#   2248:25  Unique         2.73, 5.01 A)
 &rst
  ixpk= 2248, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1336,1337,1338,1340,1341,1342,
 igr2=1310,1311,
 &end
#
#   91 VAL  MGX          90 TRP  HB-         5.50    (#   2249:25  Unique         2.73, 5.01 A)
 &rst
  ixpk= 2249, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1336,1337,1338,1340,1341,1342,
 igr2=1310,1311,
 &end
#
#   70 ALA  MB           90 TRP  HB+         5.50    (#   2250:25  Unique         4.24, 5.26 A)
 &rst
  ixpk= 2250, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1035,1036,1037,
 igr2=1310,1311,
 &end
#
#   70 ALA  MB           90 TRP  HB-         5.50    (#   2251:25  Unique         4.24, 5.26 A)
 &rst
  ixpk= 2251, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1035,1036,1037,
 igr2=1310,1311,
 &end
#
#   86 LEU  MDY          90 TRP  HB+         4.50    (#   2252:25  Unique         2.29, 3.84 A)
 &rst
  ixpk= 2252, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1253,1254,1255,1257,1258,1259,
 igr2=1310,1311,
 &end
#
#   86 LEU  MDX          90 TRP  HB+         3.50    (#   2253:25  Unique         2.29, 3.84 A)
 &rst
  ixpk= 2253, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1253,1254,1255,1257,1258,1259,
 igr2=1310,1311,
 &end
#
#   86 LEU  MDY          90 TRP  HB-         4.50    (#   2254:25  Unique         2.29, 3.84 A)
 &rst
  ixpk= 2254, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1253,1254,1255,1257,1258,1259,
 igr2=1310,1311,
 &end
#
#   86 LEU  MDX          90 TRP  HB-         3.50    (#   2255:25  Unique         2.29, 3.84 A)
 &rst
  ixpk= 2255, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1253,1254,1255,1257,1258,1259,
 igr2=1310,1311,
 &end
#
#   76 VAL  MGX          90 TRP  HB+         3.50    (#   2256:25  Unique         2.07, 4.67 A)
 &rst
  ixpk= 2256, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1120,1121,1122,1124,1125,1126,
 igr2=1310,1311,
 &end
#
#   76 VAL  MGX          90 TRP  HB-         4.50    (#   2257:25  Unique         2.07, 4.67 A)
 &rst
  ixpk= 2257, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1120,1121,1122,1124,1125,1126,
 igr2=1310,1311,
 &end
#
#   76 VAL  MGY          90 TRP  HB+         5.50    (#   2258:25  Unique         2.07, 4.67 A)
 &rst
  ixpk= 2258, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1120,1121,1122,1124,1125,1126,
 igr2=1310,1311,
 &end
#
#   76 VAL  MGY          90 TRP  HB-         4.50    (#   2259:25  Unique         2.07, 4.67 A)
 &rst
  ixpk= 2259, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1120,1121,1122,1124,1125,1126,
 igr2=1310,1311,
 &end
#
#    0 AMB  25-2:2260     0 AMB  25-1:2260   5.50    (#   2260:25  Double Ambig)
 &rst
  ixpk= 2260, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1=1248,1249,1295,1296,
 igr2=1310,1311,1310,1311,
 &end
#
#    0 AMB  25-2:2261    90 TRP  HB-         4.50    (#   2261:25  Single Ambig)
 &rst
  ixpk= 2261, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1248,1249,1295,1296,
 igr2=1310,1311,
 &end
#
#   90 TRP  HA           90 TRP  HB+         3.50    (#   2264:25  Unique         2.49, 2.78 A)
 &rst
  ixpk= 2264, nxpk= 25, iat=1308,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1310,1311,
 &end
#
#    0 AMB  25-2:2265     0 AMB  25-1:2265   3.50    (#   2265:25  Double Ambig)
 &rst
  ixpk= 2265, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1330,1314,
 igr2=1310,1311,1310,1311,
 &end
#
#   90 TRP  HE3          90 TRP  HB+         4.50    (#   2266:25  Unique         2.60, 3.48 A)
 &rst
  ixpk= 2266, nxpk= 25, iat=1325,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1310,1311,
 &end
#
#   90 TRP  HE3          90 TRP  HB-         4.50    (#   2267:25  Unique         2.60, 3.48 A)
 &rst
  ixpk= 2267, nxpk= 25, iat=1325,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1310,1311,
 &end
#
#   78 SER  HB+          91 VAL  HA          5.50    (#   2268:25  Unique         3.96, 5.87 A)
 &rst
  ixpk= 2268, nxpk= 25, iat=  -1,1332, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1153,1154,
 &end
#
#   96 PHE  HB+          91 VAL  HA          3.50    (#   2269:25  Unique         2.96, 4.10 A)
 &rst
  ixpk= 2269, nxpk= 25, iat=  -1,1332, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1415,1416,
 &end
#
#   96 PHE  HB-          91 VAL  HA          4.50    (#   2270:25  Unique         2.96, 4.10 A)
 &rst
  ixpk= 2270, nxpk= 25, iat=  -1,1332, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1415,1416,
 &end
#
#   76 VAL  HB           91 VAL  HA          5.50    (#   2271:25  Unique         3.58, 4.18 A)
 &rst
  ixpk= 2271, nxpk= 25, iat=1118,1332, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   91 VAL  HB           91 VAL  HA          2.80    (#   2272:25  Unique         2.26, 2.38 A)
 &rst
  ixpk= 2272, nxpk= 25, iat=1334,1332, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  25-2:2273    91 VAL  MGX         5.50    (#   2273:25  Single Ambig)
 &rst
  ixpk= 2273, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1=1200,1201,1153,1154,
 igr2=1336,1337,1338,1340,1341,1342,
 &end
#
#   90 TRP  HB+          91 VAL  MGX         5.50    (#   2274:25  Unique         2.73, 5.01 A)
 &rst
  ixpk= 2274, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1310,1311,
 igr2=1336,1337,1338,1340,1341,1342,
 &end
#
#   90 TRP  HB-          91 VAL  MGX         5.50    (#   2275:25  Unique         2.73, 5.01 A)
 &rst
  ixpk= 2275, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1310,1311,
 igr2=1336,1337,1338,1340,1341,1342,
 &end
#
#   86 LEU  HB-          91 VAL  MGX         5.50    (#   2276:25  Unique         3.72, 6.52 A)
 &rst
  ixpk= 2276, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1248,1249,
 igr2=1336,1337,1338,1340,1341,1342,
 &end
#
#   91 VAL  HB           91 VAL  MGY         2.80    (#   2278:25  Unique         2.38, 2.65 A)
 &rst
  ixpk= 2278, nxpk= 25, iat=1334,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1336,1337,1338,1340,1341,1342,
 &end
#
#   92 THR  MG2          91 VAL  MGY         3.50    (#   2280:25  Unique         2.35, 6.07 A)
 &rst
  ixpk= 2280, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1352,1353,1354,
 igr2=1336,1337,1338,1340,1341,1342,
 &end
#
#   90 TRP  HB+          91 VAL  MGY         5.50    (#   2282:25  Unique         2.73, 5.01 A)
 &rst
  ixpk= 2282, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1310,1311,
 igr2=1336,1337,1338,1340,1341,1342,
 &end
#
#   90 TRP  HN           91 VAL  MGY         5.50    (#   2283:25  Unique         3.57, 5.10 A)
 &rst
  ixpk= 2283, nxpk= 25, iat=1306,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1336,1337,1338,1340,1341,1342,
 &end
#
#   96 PHE  HB+          92 THR  HA          5.50    (#   2284:25  Unique         3.19, 3.75 A)
 &rst
  ixpk= 2284, nxpk= 25, iat=  -1,1348, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1415,1416,
 &end
#
#    0 AMB  25-2:2285     0 AMB  25-1:2285   4.50    (#   2285:25  Double Ambig)
 &rst
  ixpk= 2285, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1293, 867, 868,1379, 280,
 igr2=1348, 846,
 &end
#
#    0 AMB  25-2:2286    92 THR  HA          5.50    (#   2286:25  Single Ambig)
 &rst
  ixpk= 2286, nxpk= 25, iat=  -1,1348, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1364,1365,1367,1368,
 &end
#
#   93 GLN  HN           92 THR  HB          5.50    (#   2287:25  Unique         2.52, 4.20 A)
 &rst
  ixpk= 2287, nxpk= 25, iat=1360,1350, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   92 THR  HN           92 THR  HB          4.50    (#   2288:25  Unique         2.82, 3.40 A)
 &rst
  ixpk= 2288, nxpk= 25, iat=1346,1350, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   91 VAL  MGY          92 THR  HB          5.50    (#   2290:25  Unique         2.93, 6.45 A)
 &rst
  ixpk= 2290, nxpk= 25, iat=  -1,1350, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1336,1337,1338,1340,1341,1342,
 &end
#
#    0 AMB  25-2:2292   114 THR  MG2         5.50    (#   2292:25  Single Ambig)
 &rst
  ixpk= 2292, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1761,1754,
 igr2=1706,1707,1708,
 &end
#
#  119 VAL  HN          114 THR  MG2         5.50    (#   2293:25  Unique         5.78, 6.90 A)
 &rst
  ixpk= 2293, nxpk= 25, iat=1778,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1706,1707,1708,
 &end
#
#   41 ARG  HD+          61 THR  MG2         5.50    (#   2296:25  Unique         3.18, 6.54 A)
 &rst
  ixpk= 2296, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 612, 613,
 igr2= 904, 905, 906,
 &end
#
#  118 GLN  HG-         114 THR  MG2         3.50    (#   2298:25  Unique         2.19, 3.64 A)
 &rst
  ixpk= 2298, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1768,1769,
 igr2=1706,1707,1708,
 &end
#
#  118 GLN  HB-         114 THR  MG2         4.50    (#   2299:25  Unique         3.72, 5.43 A)
 &rst
  ixpk= 2299, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1765,1766,
 igr2=1706,1707,1708,
 &end
#
#  118 GLN  HG+         114 THR  MG2         2.80    (#   2300:25  Unique         2.19, 3.64 A)
 &rst
  ixpk= 2300, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1768,1769,
 igr2=1706,1707,1708,
 &end
#
#  111 VAL  HA          114 THR  MG2         4.50    (#   2302:25  Unique         3.64, 4.20 A)
 &rst
  ixpk= 2302, nxpk= 25, iat=1642,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1706,1707,1708,
 &end
#
#  115 VAL  HA          114 THR  MG2         3.50    (#   2303:25  Unique         2.96, 4.17 A)
 &rst
  ixpk= 2303, nxpk= 25, iat=1716,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1706,1707,1708,
 &end
#
#  114 THR  HA          114 THR  MG2         2.80    (#   2304:25  Unique         2.73, 3.38 A)
 &rst
  ixpk= 2304, nxpk= 25, iat=1702,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1706,1707,1708,
 &end
#
#   89 GLU  HA           92 THR  MG2         3.50    (#   2305:25  Unique         2.20, 3.80 A)
 &rst
  ixpk= 2305, nxpk= 25, iat=1293,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1352,1353,1354,
 &end
#
#   93 GLN  HN           93 GLN  HA          2.80    (#   2306:25  Unique         2.24, 2.77 A)
 &rst
  ixpk= 2306, nxpk= 25, iat=1360,1362, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   93 GLN  HE2+         93 GLN  HA          5.50    (#   2307:25  Unique         2.77, 3.47 A)
 &rst
  ixpk= 2307, nxpk= 25, iat=  -1,1362, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1372,1373,
 &end
#
#   93 GLN  HE2-         93 GLN  HA          5.50    (#   2308:25  Unique         2.77, 3.47 A)
 &rst
  ixpk= 2308, nxpk= 25, iat=  -1,1362, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1372,1373,
 &end
#
#    0 AMB  25-2:2309    93 GLN  HA          5.50    (#   2309:25  Single Ambig)
 &rst
  ixpk= 2309, nxpk= 25, iat=  -1,1362, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1379,1293,
 &end
#
#    0 AMB  25-2:2311    93 GLN  HA          2.80    (#   2311:25  Single Ambig)
 &rst
  ixpk= 2311, nxpk= 25, iat=  -1,1362, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1364,1365,1367,1368,
 &end
#
#   93 GLN  HG-          93 GLN  HA          3.50    (#   2312:25  Unique         2.91, 3.35 A)
 &rst
  ixpk= 2312, nxpk= 25, iat=  -1,1362, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1367,1368,
 &end
#
#   93 GLN  HB-          93 GLN  HA          2.80    (#   2313:25  Unique         2.40, 2.81 A)
 &rst
  ixpk= 2313, nxpk= 25, iat=  -1,1362, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1364,1365,
 &end
#
#   76 VAL  MGY          93 GLN  HA          5.50    (#   2314:25  Unique         5.31, 7.00 A)
 &rst
  ixpk= 2314, nxpk= 25, iat=  -1,1362, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1120,1121,1122,1124,1125,1126,
 &end
#
#   92 THR  MG2          93 GLN  HA          5.50    (#   2315:25  Unique         4.70, 6.15 A)
 &rst
  ixpk= 2315, nxpk= 25, iat=  -1,1362, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1352,1353,1354,
 &end
#
#   93 GLN  HA           93 GLN  HB+         3.50    (#   2316:25  Unique         2.40, 2.81 A)
 &rst
  ixpk= 2316, nxpk= 25, iat=1362,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1364,1365,
 &end
#
#   93 GLN  HA           93 GLN  HB-         3.50    (#   2317:25  Unique         2.40, 2.81 A)
 &rst
  ixpk= 2317, nxpk= 25, iat=1362,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1364,1365,
 &end
#
#    0 AMB  25-2:2318    93 GLN  HB-         3.50    (#   2318:25  Single Ambig)
 &rst
  ixpk= 2318, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1377,1114,
 igr2=1364,1365,
 &end
#
#   93 GLN  HN           93 GLN  HB-         4.50    (#   2319:25  Unique         2.26, 3.22 A)
 &rst
  ixpk= 2319, nxpk= 25, iat=1360,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1364,1365,
 &end
#
#   93 GLN  HN           93 GLN  HB+         4.50    (#   2320:25  Unique         2.26, 3.22 A)
 &rst
  ixpk= 2320, nxpk= 25, iat=1360,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1364,1365,
 &end
#
#   93 GLN  HE2+         93 GLN  HB+         5.50    (#   2321:25  Unique         4.08, 4.76 A)
 &rst
  ixpk= 2321, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1372,1373,
 igr2=1364,1365,
 &end
#
#   76 VAL  MGY          93 GLN  HB+         4.50    (#   2324:25  Unique         2.73, 5.27 A)
 &rst
  ixpk= 2324, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1120,1121,1122,1124,1125,1126,
 igr2=1364,1365,
 &end
#
#   76 VAL  MGY          93 GLN  HB-         4.50    (#   2325:25  Unique         2.73, 5.27 A)
 &rst
  ixpk= 2325, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1120,1121,1122,1124,1125,1126,
 igr2=1364,1365,
 &end
#
#   70 ALA  MB           93 GLN  HG+         4.50    (#   2326:25  Unique         2.48, 4.09 A)
 &rst
  ixpk= 2326, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1035,1036,1037,
 igr2=1367,1368,
 &end
#
#   70 ALA  MB           93 GLN  HG-         5.50    (#   2327:25  Unique         2.48, 4.09 A)
 &rst
  ixpk= 2327, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1035,1036,1037,
 igr2=1367,1368,
 &end
#
#   76 VAL  MGY          93 GLN  HG+         3.50    (#   2328:25  Unique         2.17, 4.24 A)
 &rst
  ixpk= 2328, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1120,1121,1122,1124,1125,1126,
 igr2=1367,1368,
 &end
#
#   76 VAL  MGY          93 GLN  HG-         3.50    (#   2329:25  Unique         2.17, 4.24 A)
 &rst
  ixpk= 2329, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1120,1121,1122,1124,1125,1126,
 igr2=1367,1368,
 &end
#
#   93 GLN  HB-          93 GLN  HG+         2.80    (#   2330:25  Unique         2.34, 2.61 A)
 &rst
  ixpk= 2330, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1364,1365,
 igr2=1367,1368,
 &end
#
#   73 TYR  HB+          93 GLN  HG+         4.50    (#   2333:25  Unique         2.68, 4.26 A)
 &rst
  ixpk= 2333, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1069,1070,
 igr2=1367,1368,
 &end
#
#   73 TYR  HB+          93 GLN  HG-         5.50    (#   2334:25  Unique         2.68, 4.26 A)
 &rst
  ixpk= 2334, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1069,1070,
 igr2=1367,1368,
 &end
#
#    0 AMB  25-2:2336     0 AMB  25-1:2336   3.50    (#   2336:25  Double Ambig)
 &rst
  ixpk= 2336, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 254, 255, 192,
 igr2= 194, 195, 194, 195,
 &end
#
#    0 AMB  25-2:2337     0 AMB  25-1:2337   4.50    (#   2337:25  Double Ambig)
 &rst
  ixpk= 2337, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1308,1043,
 igr2=1367,1368,1367,1368,
 &end
#
#   93 GLN  HA           93 GLN  HG+         3.50    (#   2338:25  Unique         2.91, 3.35 A)
 &rst
  ixpk= 2338, nxpk= 25, iat=1362,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1367,1368,
 &end
#
#   90 TRP  HA           93 GLN  HG-         4.50    (#   2339:25  Unique         2.81, 3.57 A)
 &rst
  ixpk= 2339, nxpk= 25, iat=1308,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1367,1368,
 &end
#
#   93 GLN  HA           93 GLN  HG-         3.50    (#   2340:25  Unique         2.91, 3.35 A)
 &rst
  ixpk= 2340, nxpk= 25, iat=1362,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1367,1368,
 &end
#
#   93 GLN  HE2-         93 GLN  HG+         4.50    (#   2343:25  Unique         2.20, 3.27 A)
 &rst
  ixpk= 2343, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1372,1373,
 igr2=1367,1368,
 &end
#
#   93 GLN  HE2-         93 GLN  HG-         4.50    (#   2344:25  Unique         2.20, 3.27 A)
 &rst
  ixpk= 2344, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1372,1373,
 igr2=1367,1368,
 &end
#
#   11 ASN  HD2+         11 ASN  HB+         3.50    (#   2345:25  Unique         2.22, 3.40 A)
 &rst
  ixpk= 2345, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 199, 200,
 igr2= 194, 195,
 &end
#
#    0 AMB  25-2:2346    93 GLN  HG-         5.50    (#   2346:25  Single Ambig)
 &rst
  ixpk= 2346, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1346,1330,1073,1082,
 igr2=1367,1368,
 &end
#
#   93 GLN  HN           93 GLN  HG-         4.50    (#   2348:25  Unique         2.51, 3.48 A)
 &rst
  ixpk= 2348, nxpk= 25, iat=1360,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1367,1368,
 &end
#
#    0 AMB  25-2:2350    93 GLN  HG-         4.50    (#   2350:25  Single Ambig)
 &rst
  ixpk= 2350, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1377,1031,
 igr2=1367,1368,
 &end
#
#   95 ILE  HN           94 GLU  HA          3.50    (#   2352:25  Unique         3.30, 3.45 A)
 &rst
  ixpk= 2352, nxpk= 25, iat=1392,1379, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:2353     0 AMB  25-1:2353   4.50    (#   2353:25  Double Ambig)
 &rst
  ixpk= 2353, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1362, 329,
 igr2=1379, 280,
 &end
#
#   50 MET  HG+          17 MET  HA          4.50    (#   2354:25  Unique         3.02, 4.17 A)
 &rst
  ixpk= 2354, nxpk= 25, iat=  -1, 280, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 750, 751,
 &end
#
#   16 GLN  HG-          17 MET  HA          4.50    (#   2355:25  Unique         3.47, 4.52 A)
 &rst
  ixpk= 2355, nxpk= 25, iat=  -1, 280, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 268, 269,
 &end
#
#    0 AMB  25-2:2356    94 GLU  HA          4.50    (#   2356:25  Single Ambig)
 &rst
  ixpk= 2356, nxpk= 25, iat=  -1,1379, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1364,1365,1396,
 &end
#
#    0 AMB  25-2:2357    17 MET  HA          4.50    (#   2357:25  Single Ambig)
 &rst
  ixpk= 2357, nxpk= 25, iat=  -1, 280, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1784,1785,1786,1788,1789,1790, 265, 266,
 &end
#
#   17 MET  ME           17 MET  HA          3.50    (#   2358:25  Unique         2.13, 3.06 A)
 &rst
  ixpk= 2358, nxpk= 25, iat=  -1, 280, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 289, 290, 291,
 &end
#
#   57 ILE  QG2          17 MET  HA          3.50    (#   2359:25  Unique         2.46, 4.20 A)
 &rst
  ixpk= 2359, nxpk= 25, iat=  -1, 280, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 850, 851, 852,
 &end
#
#   57 ILE  QD1          17 MET  HA          4.50    (#   2360:25  Unique         2.93, 4.60 A)
 &rst
  ixpk= 2360, nxpk= 25, iat=  -1, 280, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 857, 858, 859,
 &end
#
#  124 GLU  HA          124 GLU  HB-         2.80    (#   2361:25  Unique         2.56, 2.83 A)
 &rst
  ixpk= 2361, nxpk= 25, iat=1873,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1875,1876,
 &end
#
#  124 GLU  HA          124 GLU  HB+         2.80    (#   2362:25  Unique         2.56, 2.83 A)
 &rst
  ixpk= 2362, nxpk= 25, iat=1873,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1875,1876,
 &end
#
#  125 ASN  HN          124 GLU  HG-         5.50    (#   2363:25  Unique         4.59, 4.90 A)
 &rst
  ixpk= 2363, nxpk= 25, iat=1886,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1878,1879,
 &end
#
#  121 GLU  HA          124 GLU  HG+         5.50    (#   2364:25  Unique         3.47, 4.44 A)
 &rst
  ixpk= 2364, nxpk= 25, iat=1818,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1878,1879,
 &end
#
#  121 GLU  HA          124 GLU  HG-         4.50    (#   2365:25  Unique         3.47, 4.44 A)
 &rst
  ixpk= 2365, nxpk= 25, iat=1818,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1878,1879,
 &end
#
#  124 GLU  HA          124 GLU  HG-         2.80    (#   2366:25  Unique         2.32, 2.73 A)
 &rst
  ixpk= 2366, nxpk= 25, iat=1873,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1878,1879,
 &end
#
#  124 GLU  HA          124 GLU  HG+         3.50    (#   2367:25  Unique         2.32, 2.73 A)
 &rst
  ixpk= 2367, nxpk= 25, iat=1873,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1878,1879,
 &end
#
#  120 LYS  HE-         124 GLU  HG-         4.50    (#   2368:25  Unique         3.17, 4.89 A)
 &rst
  ixpk= 2368, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1807,1808,
 igr2=1878,1879,
 &end
#
#    0 AMB  25-2:2369     0 AMB  25-1:2369   2.80    (#   2369:25  Double Ambig)
 &rst
  ixpk= 2369, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1875,1876,1381,1382,
 igr2=1878,1879,1384,1385,
 &end
#
#    0 AMB  25-2:2370     0 AMB  25-1:2370   2.80    (#   2370:25  Double Ambig)
 &rst
  ixpk= 2370, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1875,1876,1381,1382,
 igr2=1878,1879,1384,1385,
 &end
#
#   25 LEU  HB+         124 GLU  HG-         4.50    (#   2371:25  Unique         3.24, 4.54 A)
 &rst
  ixpk= 2371, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 397, 398,
 igr2=1878,1879,
 &end
#
#   25 LEU  HB-         124 GLU  HG-         4.50    (#   2372:25  Unique         3.24, 4.54 A)
 &rst
  ixpk= 2372, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 397, 398,
 igr2=1878,1879,
 &end
#
#    0 AMB  25-2:2373   124 GLU  HG-         4.50    (#   2373:25  Single Ambig)
 &rst
  ixpk= 2373, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1=1861,1862,1863,1865,1866,1867,1804,1805,
 igr2=1878,1879,
 &end
#
#    0 AMB  25-2:2374     0 AMB  25-1:2374   4.50    (#   2374:25  Double Ambig)
 &rst
  ixpk= 2374, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.02, r4= 8.77,
 igr1=1861,1862,1863,1865,1866,1867,1804,1805,
 igr2=1878,1879,1878,1879,
 &end
#
#   25 LEU  HB-         124 GLU  HG+         4.50    (#   2375:25  Unique         3.24, 4.54 A)
 &rst
  ixpk= 2375, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 397, 398,
 igr2=1878,1879,
 &end
#
#   25 LEU  HB+         124 GLU  HG+         4.50    (#   2376:25  Unique         3.24, 4.54 A)
 &rst
  ixpk= 2376, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 397, 398,
 igr2=1878,1879,
 &end
#
#  120 LYS  HG-         124 GLU  HG+         5.50    (#   2377:25  Unique         2.50, 3.79 A)
 &rst
  ixpk= 2377, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1801,1802,
 igr2=1878,1879,
 &end
#
#  120 LYS  HG-         124 GLU  HG-         5.50    (#   2378:25  Unique         2.50, 3.79 A)
 &rst
  ixpk= 2378, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1801,1802,
 igr2=1878,1879,
 &end
#
#  127 ILE  QD1         124 GLU  HG-         4.50    (#   2379:25  Unique         3.88, 5.42 A)
 &rst
  ixpk= 2379, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1932,1933,1934,
 igr2=1878,1879,
 &end
#
#  127 ILE  QD1         124 GLU  HG+         4.50    (#   2380:25  Unique         3.88, 5.42 A)
 &rst
  ixpk= 2380, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1932,1933,1934,
 igr2=1878,1879,
 &end
#
#   95 ILE  HG1+         95 ILE  HA          3.50    (#   2381:25  Unique         2.43, 2.95 A)
 &rst
  ixpk= 2381, nxpk= 25, iat=  -1,1394, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1402,1403,
 &end
#
#   95 ILE  HB           95 ILE  HA          3.50    (#   2382:25  Unique         2.33, 2.38 A)
 &rst
  ixpk= 2382, nxpk= 25, iat=1396,1394, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   96 PHE  HB-          95 ILE  HA          5.50    (#   2383:25  Unique         4.06, 4.70 A)
 &rst
  ixpk= 2383, nxpk= 25, iat=  -1,1394, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1415,1416,
 &end
#
#   95 ILE  HN           95 ILE  HA          4.50    (#   2384:25  Unique         2.88, 2.91 A)
 &rst
  ixpk= 2384, nxpk= 25, iat=1392,1394, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:2385    95 ILE  HB          4.50    (#   2385:25  Single Ambig)
 &rst
  ixpk= 2385, nxpk= 25, iat=  -1,1396, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1411,1377,
 &end
#
#   95 ILE  HN           95 ILE  HB          3.50    (#   2386:25  Unique         3.46, 3.51 A)
 &rst
  ixpk= 2386, nxpk= 25, iat=1392,1396, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:2388    95 ILE  HB          5.50    (#   2388:25  Single Ambig)
 &rst
  ixpk= 2388, nxpk= 25, iat=  -1,1396, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1100,1972,
 &end
#
#   95 ILE  HG1-         95 ILE  HB          4.50    (#   2389:25  Unique         2.46, 2.81 A)
 &rst
  ixpk= 2389, nxpk= 25, iat=  -1,1396, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1402,1403,
 &end
#
#    0 AMB  25-2:2390    95 ILE  HG1-        2.80    (#   2390:25  Single Ambig)
 &rst
  ixpk= 2390, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1=1405,1406,1407,1104,1105,1106,1108,1109,1110,1398,
      1399,1400,
 igr2=1402,1403,
 &end
#
#   95 ILE  HB           95 ILE  HG1-        3.50    (#   2392:25  Unique         2.46, 2.81 A)
 &rst
  ixpk= 2392, nxpk= 25, iat=1396,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1402,1403,
 &end
#
#   97 GLU  HG+          95 ILE  HG1-        3.50    (#   2393:25  Unique         2.28, 3.30 A)
 &rst
  ixpk= 2393, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1438,1439,
 igr2=1402,1403,
 &end
#
#   95 ILE  HA           95 ILE  HG1-        3.50    (#   2395:25  Unique         2.43, 2.95 A)
 &rst
  ixpk= 2395, nxpk= 25, iat=1394,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1402,1403,
 &end
#
#   95 ILE  HN           95 ILE  HG1-        5.50    (#   2396:25  Unique         4.24, 4.53 A)
 &rst
  ixpk= 2396, nxpk= 25, iat=1392,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1402,1403,
 &end
#
#   96 PHE  HN           95 ILE  HG1-        5.50    (#   2397:25  Unique         2.26, 2.81 A)
 &rst
  ixpk= 2397, nxpk= 25, iat=1411,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1402,1403,
 &end
#
#   96 PHE  HA           95 ILE  QG2         5.50    (#   2398:25  Unique         4.03, 5.38 A)
 &rst
  ixpk= 2398, nxpk= 25, iat=1413,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1398,1399,1400,
 &end
#
#   97 GLU  HG+          95 ILE  QG2         4.50    (#   2399:25  Unique         4.72, 5.99 A)
 &rst
  ixpk= 2399, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1438,1439,
 igr2=1398,1399,1400,
 &end
#
#   95 ILE  HB           95 ILE  QG2         2.80    (#   2400:25  Unique         2.36, 2.66 A)
 &rst
  ixpk= 2400, nxpk= 25, iat=1396,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1398,1399,1400,
 &end
#
#   77 ILE  QD1          95 ILE  QG2         5.50    (#   2401:25  Unique         3.51, 5.64 A)
 &rst
  ixpk= 2401, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1=1143,1144,1145,
 igr2=1398,1399,1400,
 &end
#
#   97 GLU  HN           97 GLU  HA          4.50    (#   2403:25  Unique         2.88, 2.92 A)
 &rst
  ixpk= 2403, nxpk= 25, iat=1431,1433, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   96 PHE  HD           97 GLU  HA          4.50    (#   2404:25  Unique         3.70, 5.00 A)
 &rst
  ixpk= 2404, nxpk= 25, iat=  -1,1433, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1419,1427,
 &end
#
#   96 PHE  HA           97 GLU  HA          5.50    (#   2405:25  Unique         4.47, 4.54 A)
 &rst
  ixpk= 2405, nxpk= 25, iat=1413,1433, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   98 ASP  HA           97 GLU  HA          4.50    (#   2406:25  Unique         4.52, 4.57 A)
 &rst
  ixpk= 2406, nxpk= 25, iat=1448,1433, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:2407    97 GLU  HA          4.50    (#   2407:25  Single Ambig)
 &rst
  ixpk= 2407, nxpk= 25, iat=  -1,1433, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1435,1436,1438,1439,
 &end
#
#   97 GLU  HB-          97 GLU  HA          2.80    (#   2408:25  Unique         2.35, 2.74 A)
 &rst
  ixpk= 2408, nxpk= 25, iat=  -1,1433, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1435,1436,
 &end
#
#   97 GLU  HG+          97 GLU  HA          3.50    (#   2409:25  Unique         2.42, 3.36 A)
 &rst
  ixpk= 2409, nxpk= 25, iat=  -1,1433, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1438,1439,
 &end
#
#   95 ILE  QD1          97 GLU  HA          5.50    (#   2410:25  Unique         5.38, 6.65 A)
 &rst
  ixpk= 2410, nxpk= 25, iat=  -1,1433, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1405,1406,1407,
 &end
#
#   77 ILE  QD1          97 GLU  HA          5.50    (#   2411:25  Unique         4.31, 5.12 A)
 &rst
  ixpk= 2411, nxpk= 25, iat=  -1,1433, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1143,1144,1145,
 &end
#
#   77 ILE  QG2          97 GLU  HB+         5.50    (#   2412:25  Unique         2.20, 4.27 A)
 &rst
  ixpk= 2412, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1136,1137,1138,
 igr2=1435,1436,
 &end
#
#   77 ILE  QG2          97 GLU  HB-         4.50    (#   2413:25  Unique         2.20, 4.27 A)
 &rst
  ixpk= 2413, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1136,1137,1138,
 igr2=1435,1436,
 &end
#
#   77 ILE  QD1          97 GLU  HB+         3.50    (#   2414:25  Unique         2.08, 3.54 A)
 &rst
  ixpk= 2414, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1143,1144,1145,
 igr2=1435,1436,
 &end
#
#   97 GLU  HG+          97 GLU  HB-         2.80    (#   2416:25  Unique         2.26, 2.65 A)
 &rst
  ixpk= 2416, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1438,1439,
 igr2=1435,1436,
 &end
#
#    0 AMB  25-2:2417     0 AMB  25-1:2417   2.80    (#   2417:25  Double Ambig)
 &rst
  ixpk= 2417, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1582,1583, 285, 286,
 igr2=1585,1586, 282, 283,
 &end
#
#   97 GLU  HA           97 GLU  HB-         3.50    (#   2418:25  Unique         2.35, 2.74 A)
 &rst
  ixpk= 2418, nxpk= 25, iat=1433,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1435,1436,
 &end
#
#   99 TRP  HD1          97 GLU  HB-         5.50    (#   2419:25  Unique         4.43, 5.50 A)
 &rst
  ixpk= 2419, nxpk= 25, iat=1466,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1435,1436,
 &end
#
#   97 GLU  HN           97 GLU  HB-         4.50    (#   2420:25  Unique         2.52, 3.40 A)
 &rst
  ixpk= 2420, nxpk= 25, iat=1431,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1435,1436,
 &end
#
#   98 ASP  HN           97 GLU  HB+         3.50    (#   2421:25  Unique         2.04, 2.82 A)
 &rst
  ixpk= 2421, nxpk= 25, iat=1446,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1435,1436,
 &end
#
#   98 ASP  HN           97 GLU  HB-         3.50    (#   2422:25  Unique         2.04, 2.82 A)
 &rst
  ixpk= 2422, nxpk= 25, iat=1446,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1435,1436,
 &end
#
#   99 TRP  HE1          97 GLU  HB+         4.50    (#   2423:25  Unique         2.76, 3.95 A)
 &rst
  ixpk= 2423, nxpk= 25, iat=1468,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1435,1436,
 &end
#
#   99 TRP  HE1          97 GLU  HB-         4.50    (#   2424:25  Unique         2.76, 3.95 A)
 &rst
  ixpk= 2424, nxpk= 25, iat=1468,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1435,1436,
 &end
#
#   99 TRP  HE1          97 GLU  HG-         5.50    (#   2425:25  Unique         3.95, 5.11 A)
 &rst
  ixpk= 2425, nxpk= 25, iat=1468,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1438,1439,
 &end
#
#    6 PHE  HD           19 GLU  HG-         5.50    (#   2426:25  Unique         4.69, 6.71 A)
 &rst
  ixpk= 2426, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 106, 114,
 igr2= 312, 313,
 &end
#
#   77 ILE  QD1          97 GLU  HG-         3.50    (#   2428:25  Unique         2.43, 3.84 A)
 &rst
  ixpk= 2428, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1143,1144,1145,
 igr2=1438,1439,
 &end
#
#   98 ASP  HB+          98 ASP  HA          3.50    (#   2430:25  Unique         2.19, 2.65 A)
 &rst
  ixpk= 2430, nxpk= 25, iat=  -1,1448, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1450,1451,
 &end
#
#   98 ASP  HB-          98 ASP  HA          2.80    (#   2431:25  Unique         2.19, 2.65 A)
 &rst
  ixpk= 2431, nxpk= 25, iat=  -1,1448, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1450,1451,
 &end
#
#   78 SER  HB-          98 ASP  HA          5.50    (#   2432:25  Unique         2.66, 4.46 A)
 &rst
  ixpk= 2432, nxpk= 25, iat=  -1,1448, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1153,1154,
 &end
#
#   78 SER  HB+          98 ASP  HA          4.50    (#   2433:25  Unique         2.66, 4.46 A)
 &rst
  ixpk= 2433, nxpk= 25, iat=  -1,1448, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1153,1154,
 &end
#
#   77 ILE  HA           98 ASP  HA          5.50    (#   2434:25  Unique         4.40, 4.80 A)
 &rst
  ixpk= 2434, nxpk= 25, iat=1132,1448, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   98 ASP  HN           98 ASP  HA          4.50    (#   2435:25  Unique         2.69, 2.80 A)
 &rst
  ixpk= 2435, nxpk= 25, iat=1446,1448, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   99 TRP  HN           98 ASP  HA          2.80    (#   2436:25  Unique         2.18, 2.27 A)
 &rst
  ixpk= 2436, nxpk= 25, iat=1458,1448, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   99 TRP  HN           98 ASP  HB-         5.50    (#   2437:25  Unique         2.44, 4.06 A)
 &rst
  ixpk= 2437, nxpk= 25, iat=1458,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1450,1451,
 &end
#
#   99 TRP  HN           98 ASP  HB+         4.50    (#   2438:25  Unique         2.44, 4.06 A)
 &rst
  ixpk= 2438, nxpk= 25, iat=1458,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1450,1451,
 &end
#
#   78 SER  HN           98 ASP  HB+         5.50    (#   2439:25  Unique         2.21, 3.78 A)
 &rst
  ixpk= 2439, nxpk= 25, iat=1149,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1450,1451,
 &end
#
#   98 ASP  HA           98 ASP  HB-         3.50    (#   2441:25  Unique         2.19, 2.65 A)
 &rst
  ixpk= 2441, nxpk= 25, iat=1448,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1450,1451,
 &end
#
#   97 GLU  HA           98 ASP  HB-         5.50    (#   2442:25  Unique         3.71, 4.31 A)
 &rst
  ixpk= 2442, nxpk= 25, iat=1433,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1450,1451,
 &end
#
#   78 SER  HB+          98 ASP  HB+         4.50    (#   2443:25  Unique         2.04, 3.94 A)
 &rst
  ixpk= 2443, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1153,1154,
 igr2=1450,1451,
 &end
#
#   78 SER  HB+          98 ASP  HB-         5.50    (#   2444:25  Unique         2.04, 3.94 A)
 &rst
  ixpk= 2444, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1153,1154,
 igr2=1450,1451,
 &end
#
#   78 SER  HB-          98 ASP  HB+         5.50    (#   2445:25  Unique         2.04, 3.94 A)
 &rst
  ixpk= 2445, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1153,1154,
 igr2=1450,1451,
 &end
#
#   99 TRP  HN           99 TRP  HA          5.50    (#   2446:25  Unique         2.93, 2.96 A)
 &rst
  ixpk= 2446, nxpk= 25, iat=1458,1460, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   99 TRP  HD1          99 TRP  HA          5.50    (#   2447:25  Unique         2.71, 3.62 A)
 &rst
  ixpk= 2447, nxpk= 25, iat=1466,1460, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   98 ASP  HA           99 TRP  HA          4.50    (#   2448:25  Unique         4.44, 4.49 A)
 &rst
  ixpk= 2448, nxpk= 25, iat=1448,1460, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:2449     0 AMB  25-1:2449   3.50    (#   2449:25  Double Ambig)
 &rst
  ixpk= 2449, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1460,1162,
 igr2=1462,1463,1462,1463,
 &end
#
#    0 AMB  25-2:2450    99 TRP  HB-         3.50    (#   2450:25  Single Ambig)
 &rst
  ixpk= 2450, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1460,1162,
 igr2=1462,1463,
 &end
#
#   99 TRP  HN           99 TRP  HB+         3.50    (#   2451:25  Unique         2.41, 3.29 A)
 &rst
  ixpk= 2451, nxpk= 25, iat=1458,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1462,1463,
 &end
#
#   99 TRP  HN           99 TRP  HB-         4.50    (#   2452:25  Unique         2.41, 3.29 A)
 &rst
  ixpk= 2452, nxpk= 25, iat=1458,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1462,1463,
 &end
#
#   99 TRP  HE3          99 TRP  HB+         4.50    (#   2453:25  Unique         2.25, 3.41 A)
 &rst
  ixpk= 2453, nxpk= 25, iat=1477,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1462,1463,
 &end
#
#   99 TRP  HE3          99 TRP  HB-         4.50    (#   2454:25  Unique         2.25, 3.41 A)
 &rst
  ixpk= 2454, nxpk= 25, iat=1477,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1462,1463,
 &end
#
#   99 TRP  HD1          99 TRP  HB-         5.50    (#   2455:25  Unique         2.44, 3.24 A)
 &rst
  ixpk= 2455, nxpk= 25, iat=1466,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1462,1463,
 &end
#
#   99 TRP  HD1          99 TRP  HB+         5.50    (#   2456:25  Unique         2.44, 3.24 A)
 &rst
  ixpk= 2456, nxpk= 25, iat=1466,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1462,1463,
 &end
#
#   98 ASP  HA           99 TRP  HB+         5.50    (#   2458:25  Unique         4.04, 4.97 A)
 &rst
  ixpk= 2458, nxpk= 25, iat=1448,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1462,1463,
 &end
#
#  122 ARG  HD+          99 TRP  HB+         5.50    (#   2459:25  Unique         2.15, 3.24 A)
 &rst
  ixpk= 2459, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1841,1842,
 igr2=1462,1463,
 &end
#
#    0 AMB  25-2:2460     0 AMB  25-1:2460   5.50    (#   2460:25  Double Ambig)
 &rst
  ixpk= 2460, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1=1164,1165,1486,1487,
 igr2=1462,1463,1462,1463,
 &end
#
#  122 ARG  HD+          99 TRP  HB-         5.50    (#   2461:25  Unique         2.15, 3.24 A)
 &rst
  ixpk= 2461, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1841,1842,
 igr2=1462,1463,
 &end
#
#    0 AMB  25-2:2462     0 AMB  25-1:2462   4.50    (#   2462:25  Double Ambig)
 &rst
  ixpk= 2462, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1506,1164,1165,
 igr2=1462,1463,1462,1463,
 &end
#
#    0 AMB  25-2:2463    99 TRP  HB-         4.50    (#   2463:25  Single Ambig)
 &rst
  ixpk= 2463, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1506,1164,1165,
 igr2=1462,1463,
 &end
#
#  101 LEU  MDY          99 TRP  HB+         4.50    (#   2464:25  Unique         2.26, 4.45 A)
 &rst
  ixpk= 2464, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1508,1509,1510,1512,1513,1514,
 igr2=1462,1463,
 &end
#
#  101 LEU  MDX          99 TRP  HB+         4.50    (#   2465:25  Unique         2.26, 4.45 A)
 &rst
  ixpk= 2465, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1508,1509,1510,1512,1513,1514,
 igr2=1462,1463,
 &end
#
#  101 LEU  MDX          99 TRP  HB-         4.50    (#   2467:25  Unique         2.26, 4.45 A)
 &rst
  ixpk= 2467, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1508,1509,1510,1512,1513,1514,
 igr2=1462,1463,
 &end
#
#  101 LEU  MDY          99 TRP  HB-         4.50    (#   2468:25  Unique         2.26, 4.45 A)
 &rst
  ixpk= 2468, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1508,1509,1510,1512,1513,1514,
 igr2=1462,1463,
 &end
#
#   77 ILE  QG2          99 TRP  HB+         5.50    (#   2469:25  Unique         4.03, 6.51 A)
 &rst
  ixpk= 2469, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1136,1137,1138,
 igr2=1462,1463,
 &end
#
#  100 GLN  HG+         100 GLN  HA          4.50    (#   2471:25  Unique         2.46, 2.94 A)
 &rst
  ixpk= 2471, nxpk= 25, iat=  -1,1484, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1489,1490,
 &end
#
#  100 GLN  HB+         100 GLN  HA          3.50    (#   2472:25  Unique         2.39, 2.76 A)
 &rst
  ixpk= 2472, nxpk= 25, iat=  -1,1484, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1486,1487,
 &end
#
#  100 GLN  HA          100 GLN  HB+         2.80    (#   2473:25  Unique         2.39, 2.76 A)
 &rst
  ixpk= 2473, nxpk= 25, iat=1484,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1486,1487,
 &end
#
#  100 GLN  HA          100 GLN  HB-         2.80    (#   2474:25  Unique         2.39, 2.76 A)
 &rst
  ixpk= 2474, nxpk= 25, iat=1484,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1486,1487,
 &end
#
#   64 PRO  HD-          64 PRO  HG-         2.80    (#   2478:25  Unique         2.31, 2.61 A)
 &rst
  ixpk= 2478, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 936, 937,
 igr2= 939, 940,
 &end
#
#   44 PRO  HD+          44 PRO  HG+         2.80    (#   2479:25  Unique         2.33, 2.61 A)
 &rst
  ixpk= 2479, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 660, 661,
 igr2= 663, 664,
 &end
#
#   63 ASP  HA           64 PRO  HG-         5.50    (#   2481:25  Unique         4.38, 4.71 A)
 &rst
  ixpk= 2481, nxpk= 25, iat= 925,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 939, 940,
 &end
#
#  100 GLN  HE2-        100 GLN  HB+         5.50    (#   2482:25  Unique         2.66, 4.14 A)
 &rst
  ixpk= 2482, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1494,1495,
 igr2=1486,1487,
 &end
#
#  107 GLN  HE2+        107 GLN  HG+         2.80    (#   2483:25  Unique         2.21, 3.18 A)
 &rst
  ixpk= 2483, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1590,1591,
 igr2=1585,1586,
 &end
#
#  101 LEU  MDY         101 LEU  HA          4.50    (#   2484:25  Unique         2.09, 3.86 A)
 &rst
  ixpk= 2484, nxpk= 25, iat=  -1,1501, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1508,1509,1510,1512,1513,1514,
 &end
#
#  101 LEU  HB-         101 LEU  HA          3.50    (#   2485:25  Unique         2.26, 2.76 A)
 &rst
  ixpk= 2485, nxpk= 25, iat=  -1,1501, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1503,1504,
 &end
#
#  102 GLU  HB-         101 LEU  HA          5.50    (#   2486:25  Unique         4.27, 5.14 A)
 &rst
  ixpk= 2486, nxpk= 25, iat=  -1,1501, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1522,1523,
 &end
#
#    0 AMB  25-2:2487   101 LEU  HA          4.50    (#   2487:25  Single Ambig)
 &rst
  ixpk= 2487, nxpk= 25, iat=  -1,1501, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1525,1526,1486,1487,
 &end
#
#  101 LEU  HN          101 LEU  HA          4.50    (#   2491:25  Unique         2.87, 2.95 A)
 &rst
  ixpk= 2491, nxpk= 25, iat=1499,1501, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:2492   101 LEU  HA          5.50    (#   2492:25  Single Ambig)
 &rst
  ixpk= 2492, nxpk= 25, iat=  -1,1501, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1533, 239,
 &end
#
#  101 LEU  HN          101 LEU  HB+         5.50    (#   2493:25  Unique         2.08, 3.03 A)
 &rst
  ixpk= 2493, nxpk= 25, iat=1499,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1503,1504,
 &end
#
#  101 LEU  HN          101 LEU  HB-         4.50    (#   2494:25  Unique         2.08, 3.03 A)
 &rst
  ixpk= 2494, nxpk= 25, iat=1499,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1503,1504,
 &end
#
#  102 GLU  HN          101 LEU  HB+         5.50    (#   2495:25  Unique         2.61, 3.61 A)
 &rst
  ixpk= 2495, nxpk= 25, iat=1518,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1503,1504,
 &end
#
#  102 GLU  HN          101 LEU  HB-         5.50    (#   2496:25  Unique         2.61, 3.61 A)
 &rst
  ixpk= 2496, nxpk= 25, iat=1518,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1503,1504,
 &end
#
#  101 LEU  HA          101 LEU  HB+         5.50    (#   2497:25  Unique         2.26, 2.76 A)
 &rst
  ixpk= 2497, nxpk= 25, iat=1501,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1503,1504,
 &end
#
#  101 LEU  HA          101 LEU  HB-         4.50    (#   2498:25  Unique         2.26, 2.76 A)
 &rst
  ixpk= 2498, nxpk= 25, iat=1501,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1503,1504,
 &end
#
#    0 AMB  25-2:2503     0 AMB  25-1:2503   4.50    (#   2503:25  Double Ambig)
 &rst
  ixpk= 2503, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
 igr1=1508,1509,1510,1512,1513,1514,1784,1785,1786,1788,
      1789,1790,
 igr2=1503,1504,1503,1504,
 &end
#
#    0 AMB  25-2:2504   101 LEU  HB-         3.50    (#   2504:25  Single Ambig)
 &rst
  ixpk= 2504, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1=1508,1509,1510,1512,1513,1514,1784,1785,1786,1788,
      1789,1790,
 igr2=1503,1504,
 &end
#
#    0 AMB  25-2:2505   101 LEU  HB-         3.50    (#   2505:25  Single Ambig)
 &rst
  ixpk= 2505, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1508,1509,1510,1512,1513,1514,1720,1721,1722,1724,
      1725,1726,1720,1721,1722,1724,1725,1726,
 igr2=1503,1504,
 &end
#
#    0 AMB  25-2:2506     0 AMB  25-1:2506   4.50    (#   2506:25  Double Ambig)
 &rst
  ixpk= 2506, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.82, r4=10.57,
 igr1=1508,1509,1510,1512,1513,1514,1720,1721,1722,1724,
      1725,1726,1720,1721,1722,1724,1725,1726,
 igr2=1503,1504,1503,1504,1503,1504,
 &end
#
#  102 GLU  HN          101 LEU  MDX         5.50    (#   2507:25  Unique         3.30, 5.18 A)
 &rst
  ixpk= 2507, nxpk= 25, iat=1518,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1508,1509,1510,1512,1513,1514,
 &end
#
#  101 LEU  HN          101 LEU  MDX         4.50    (#   2508:25  Unique         2.14, 4.38 A)
 &rst
  ixpk= 2508, nxpk= 25, iat=1499,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1508,1509,1510,1512,1513,1514,
 &end
#
#   99 TRP  HE3         101 LEU  MDX         5.50    (#   2509:25  Unique         2.29, 5.42 A)
 &rst
  ixpk= 2509, nxpk= 25, iat=1477,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1508,1509,1510,1512,1513,1514,
 &end
#
#  119 VAL  HA          101 LEU  MDX         5.50    (#   2510:25  Unique         2.15, 4.83 A)
 &rst
  ixpk= 2510, nxpk= 25, iat=1780,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1508,1509,1510,1512,1513,1514,
 &end
#
#   99 TRP  HB+         101 LEU  MDX         5.50    (#   2511:25  Unique         2.26, 4.45 A)
 &rst
  ixpk= 2511, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1462,1463,
 igr2=1508,1509,1510,1512,1513,1514,
 &end
#
#    0 AMB  25-2:2514   101 LEU  MDX         4.50    (#   2514:25  Single Ambig)
 &rst
  ixpk= 2514, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1=1537,1538, 230, 231,1765,1766,
 igr2=1508,1509,1510,1512,1513,1514,
 &end
#
#  122 ARG  HD+         101 LEU  MDX         5.50    (#   2515:25  Unique         2.14, 5.31 A)
 &rst
  ixpk= 2515, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1841,1842,
 igr2=1508,1509,1510,1512,1513,1514,
 &end
#
#  101 LEU  HG          101 LEU  MDX         2.80    (#   2516:25  Unique         2.33, 2.66 A)
 &rst
  ixpk= 2516, nxpk= 25, iat=1506,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1508,1509,1510,1512,1513,1514,
 &end
#
#  101 LEU  HB-         101 LEU  MDX         3.50    (#   2517:25  Unique         2.27, 3.44 A)
 &rst
  ixpk= 2517, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1503,1504,
 igr2=1508,1509,1510,1512,1513,1514,
 &end
#
#    0 AMB  25-2:2519   101 LEU  MDY         2.80    (#   2519:25  Single Ambig)
 &rst
  ixpk= 2519, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1164,1165,1506,
 igr2=1508,1509,1510,1512,1513,1514,
 &end
#
#  101 LEU  HB-         101 LEU  MDY         3.50    (#   2520:25  Unique         2.27, 3.44 A)
 &rst
  ixpk= 2520, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1503,1504,
 igr2=1508,1509,1510,1512,1513,1514,
 &end
#
#   79 LEU  HB+         101 LEU  MDY         4.50    (#   2522:25  Unique         2.17, 5.91 A)
 &rst
  ixpk= 2522, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1164,1165,
 igr2=1508,1509,1510,1512,1513,1514,
 &end
#
#    0 AMB  25-2:2523   101 LEU  MDY         5.50    (#   2523:25  Single Ambig)
 &rst
  ixpk= 2523, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1= 230, 231,1765,1766,
 igr2=1508,1509,1510,1512,1513,1514,
 &end
#
#   99 TRP  HB-         101 LEU  MDY         5.50    (#   2524:25  Unique         2.26, 4.45 A)
 &rst
  ixpk= 2524, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1462,1463,
 igr2=1508,1509,1510,1512,1513,1514,
 &end
#
#   99 TRP  HB+         101 LEU  MDY         5.50    (#   2525:25  Unique         2.26, 4.45 A)
 &rst
  ixpk= 2525, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1462,1463,
 igr2=1508,1509,1510,1512,1513,1514,
 &end
#
#  119 VAL  HA          101 LEU  MDY         4.50    (#   2526:25  Unique         2.15, 4.83 A)
 &rst
  ixpk= 2526, nxpk= 25, iat=1780,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1508,1509,1510,1512,1513,1514,
 &end
#
#   99 TRP  HE3         101 LEU  MDY         5.50    (#   2528:25  Unique         2.29, 5.42 A)
 &rst
  ixpk= 2528, nxpk= 25, iat=1477,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1508,1509,1510,1512,1513,1514,
 &end
#
#  101 LEU  HN          101 LEU  MDY         5.50    (#   2529:25  Unique         2.14, 4.38 A)
 &rst
  ixpk= 2529, nxpk= 25, iat=1499,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1508,1509,1510,1512,1513,1514,
 &end
#
#  102 GLU  HA          102 GLU  HB+         2.80    (#   2531:25  Unique         2.28, 2.76 A)
 &rst
  ixpk= 2531, nxpk= 25, iat=1520,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1522,1523,
 &end
#
#    0 AMB  25-2:2533     0 AMB  25-1:2533   5.50    (#   2533:25  Double Ambig)
 &rst
  ixpk= 2533, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.88, r4=11.63,
 igr1=1552,1553,1508,1509,1510,1512,1513,1514,1549,1550,
      
 igr2=1522,1523,1522,1523,1522,1523,
 &end
#
#  114 THR  MG2         102 GLU  HB+         5.50    (#   2534:25  Unique         3.03, 4.98 A)
 &rst
  ixpk= 2534, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1706,1707,1708,
 igr2=1522,1523,
 &end
#
#  101 LEU  HA          102 GLU  HB+         5.50    (#   2535:25  Unique         4.27, 5.14 A)
 &rst
  ixpk= 2535, nxpk= 25, iat=1501,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1522,1523,
 &end
#
#  101 LEU  HA          102 GLU  HB-         5.50    (#   2536:25  Unique         4.27, 5.14 A)
 &rst
  ixpk= 2536, nxpk= 25, iat=1501,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1522,1523,
 &end
#
#  103 ASP  HN          102 GLU  HB+         4.50    (#   2538:25  Unique         2.59, 3.55 A)
 &rst
  ixpk= 2538, nxpk= 25, iat=1533,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1522,1523,
 &end
#
#    0 AMB  25-2:2539     0 AMB  25-1:2539   5.50    (#   2539:25  Double Ambig)
 &rst
  ixpk= 2539, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1714,1855,
 igr2=1525,1526,1823,1824,
 &end
#
#   87 PRO  HB+          89 GLU  HG-         5.50    (#   2541:25  Unique         2.31, 3.98 A)
 &rst
  ixpk= 2541, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1270,1271,
 igr2=1298,1299,
 &end
#
#    0 AMB  25-2:2542   103 ASP  HA          3.50    (#   2542:25  Single Ambig)
 &rst
  ixpk= 2542, nxpk= 25, iat=  -1,1535, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1720,1721,1722,1724,1725,1726,1720,1721,1722,1724,
      1725,1726,1508,1509,1510,1512,1513,1514,
 &end
#
#    0 AMB  25-2:2543   103 ASP  HA          4.50    (#   2543:25  Single Ambig)
 &rst
  ixpk= 2543, nxpk= 25, iat=  -1,1535, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1508,1509,1510,1512,1513,1514,1552,1553,
 &end
#
#    0 AMB  25-2:2544   103 ASP  HA          4.50    (#   2544:25  Single Ambig)
 &rst
  ixpk= 2544, nxpk= 25, iat=  -1,1535, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1503,1504,1549,1550,
 &end
#
#    0 AMB  25-2:2545   103 ASP  HA          4.50    (#   2545:25  Single Ambig)
 &rst
  ixpk= 2545, nxpk= 25, iat=  -1,1535, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 233, 234, 268, 269,
 &end
#
#    0 AMB  25-2:2546   103 ASP  HA          5.50    (#   2546:25  Single Ambig)
 &rst
  ixpk= 2546, nxpk= 25, iat=  -1,1535, r1= 0.00, r2= 1.80, r3= 7.61, r4= 8.36,
 igr1=1525,1526,1585,1586, 754, 755, 756,
 &end
#
#  102 GLU  HB+         103 ASP  HA          5.50    (#   2547:25  Unique         4.01, 4.94 A)
 &rst
  ixpk= 2547, nxpk= 25, iat=  -1,1535, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1522,1523,
 &end
#
#  103 ASP  HB-         103 ASP  HA          2.80    (#   2548:25  Unique         2.23, 2.66 A)
 &rst
  ixpk= 2548, nxpk= 25, iat=  -1,1535, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1537,1538,
 &end
#
#  103 ASP  HB+         103 ASP  HA          2.80    (#   2549:25  Unique         2.23, 2.66 A)
 &rst
  ixpk= 2549, nxpk= 25, iat=  -1,1535, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1537,1538,
 &end
#
#  105 ASP  HB+         103 ASP  HA          5.50    (#   2550:25  Unique         5.08, 5.95 A)
 &rst
  ixpk= 2550, nxpk= 25, iat=  -1,1535, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1563,1564,
 &end
#
#   14 ARG  HD+         103 ASP  HA          5.50    (#   2551:25  Unique         4.67, 6.36 A)
 &rst
  ixpk= 2551, nxpk= 25, iat=  -1,1535, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 236, 237,
 &end
#
#  104 PRO  HD-         103 ASP  HA          2.80    (#   2554:25  Unique         2.06, 2.33 A)
 &rst
  ixpk= 2554, nxpk= 25, iat=  -1,1535, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1546,1547,
 &end
#
#  104 PRO  HD+         103 ASP  HA          2.80    (#   2555:25  Unique         2.06, 2.33 A)
 &rst
  ixpk= 2555, nxpk= 25, iat=  -1,1535, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1546,1547,
 &end
#
#  105 ASP  HN          103 ASP  HA          4.50    (#   2556:25  Unique         3.51, 4.06 A)
 &rst
  ixpk= 2556, nxpk= 25, iat=1559,1535, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  127 ILE  HN          126 LEU  HB+         4.50    (#   2557:25  Unique         2.21, 3.25 A)
 &rst
  ixpk= 2557, nxpk= 25, iat=1919,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1904,1905,
 &end
#
#  126 LEU  HN          126 LEU  HB+         3.50    (#   2558:25  Unique         2.15, 2.41 A)
 &rst
  ixpk= 2558, nxpk= 25, iat=1900,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1904,1905,
 &end
#
#  105 ASP  HN          103 ASP  HB+         5.50    (#   2559:25  Unique         3.40, 4.40 A)
 &rst
  ixpk= 2559, nxpk= 25, iat=1559,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1537,1538,
 &end
#
#    0 AMB  25-2:2561     0 AMB  25-1:2561   4.50    (#   2561:25  Double Ambig)
 &rst
  ixpk= 2561, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 228,1546,1547,
 igr2=1537,1538,1537,1538,
 &end
#
#    0 AMB  25-2:2562   103 ASP  HB-         4.50    (#   2562:25  Single Ambig)
 &rst
  ixpk= 2562, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 228,1546,1547,
 igr2=1537,1538,
 &end
#
#  123 VAL  HA          126 LEU  HB+         4.50    (#   2563:25  Unique         2.36, 3.01 A)
 &rst
  ixpk= 2563, nxpk= 25, iat=1857,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1904,1905,
 &end
#
#  126 LEU  HG          126 LEU  HB+         3.50    (#   2567:25  Unique         2.19, 2.61 A)
 &rst
  ixpk= 2567, nxpk= 25, iat=1907,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1904,1905,
 &end
#
#  103 ASP  HN          104 PRO  HA          5.50    (#   2568:25  Unique         4.31, 4.94 A)
 &rst
  ixpk= 2568, nxpk= 25, iat=1533,1555, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  112 PHE  HN          104 PRO  HA          4.50    (#   2569:25  Unique         4.33, 4.75 A)
 &rst
  ixpk= 2569, nxpk= 25, iat=1656,1555, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  111 VAL  MGX         104 PRO  HB-         3.50    (#   2572:25  Unique         2.50, 5.08 A)
 &rst
  ixpk= 2572, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1646,1647,1648,1650,1651,1652,
 igr2=1552,1553,
 &end
#
#    0 AMB  25-2:2573   104 PRO  HB-         3.50    (#   2573:25  Single Ambig)
 &rst
  ixpk= 2573, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1=1720,1721,1722,1724,1725,1726,1720,1721,1722,1724,
      1725,1726,
 igr2=1552,1553,
 &end
#
#  111 VAL  MGX         104 PRO  HB+         5.50    (#   2574:25  Unique         2.50, 5.08 A)
 &rst
  ixpk= 2574, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1646,1647,1648,1650,1651,1652,
 igr2=1552,1553,
 &end
#
#    0 AMB  25-2:2575     0 AMB  25-1:2575   4.50    (#   2575:25  Double Ambig)
 &rst
  ixpk= 2575, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
 igr1=1720,1721,1722,1724,1725,1726,1720,1721,1722,1724,
      1725,1726,
 igr2=1552,1553,1552,1553,
 &end
#
#  104 PRO  HG+         104 PRO  HB-         4.50    (#   2576:25  Unique         2.38, 2.66 A)
 &rst
  ixpk= 2576, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1549,1550,
 igr2=1552,1553,
 &end
#
#  104 PRO  HG+         104 PRO  HB+         4.50    (#   2577:25  Unique         2.38, 2.66 A)
 &rst
  ixpk= 2577, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1549,1550,
 igr2=1552,1553,
 &end
#
#  115 VAL  HB          104 PRO  HB-         4.50    (#   2578:25  Unique         3.30, 4.37 A)
 &rst
  ixpk= 2578, nxpk= 25, iat=1718,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1552,1553,
 &end
#
#   50 MET  ME          104 PRO  HB+         5.50    (#   2579:25  Unique         4.64, 5.85 A)
 &rst
  ixpk= 2579, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 754, 755, 756,
 igr2=1552,1553,
 &end
#
#  107 GLN  HG-         104 PRO  HB-         4.50    (#   2580:25  Unique         3.37, 4.35 A)
 &rst
  ixpk= 2580, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1585,1586,
 igr2=1552,1553,
 &end
#
#  112 PHE  HA          104 PRO  HB-         5.50    (#   2581:25  Unique         2.18, 2.84 A)
 &rst
  ixpk= 2581, nxpk= 25, iat=1658,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1552,1553,
 &end
#
#  104 PRO  HA          104 PRO  HB-         3.50    (#   2582:25  Unique         2.25, 2.49 A)
 &rst
  ixpk= 2582, nxpk= 25, iat=1555,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1552,1553,
 &end
#
#  112 PHE  HA          104 PRO  HB+         4.50    (#   2583:25  Unique         2.18, 2.84 A)
 &rst
  ixpk= 2583, nxpk= 25, iat=1658,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1552,1553,
 &end
#
#  104 PRO  HA          104 PRO  HB+         3.50    (#   2584:25  Unique         2.25, 2.49 A)
 &rst
  ixpk= 2584, nxpk= 25, iat=1555,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1552,1553,
 &end
#
#  104 PRO  HD+         104 PRO  HB+         5.50    (#   2585:25  Unique         2.65, 3.63 A)
 &rst
  ixpk= 2585, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1546,1547,
 igr2=1552,1553,
 &end
#
#  104 PRO  HD+         104 PRO  HB-         5.50    (#   2586:25  Unique         2.65, 3.63 A)
 &rst
  ixpk= 2586, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1546,1547,
 igr2=1552,1553,
 &end
#
#   29 LYS  HN           30 ILE  HG1+        5.50    (#   2587:25  Unique         3.59, 4.50 A)
 &rst
  ixpk= 2587, nxpk= 25, iat= 436,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 468, 469,
 &end
#
#  104 PRO  HB+         104 PRO  HG+         4.50    (#   2589:25  Unique         2.38, 2.66 A)
 &rst
  ixpk= 2589, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1552,1553,
 igr2=1549,1550,
 &end
#
#  105 ASP  HN          104 PRO  HD+         5.50    (#   2590:25  Unique         2.74, 3.68 A)
 &rst
  ixpk= 2590, nxpk= 25, iat=1559,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1546,1547,
 &end
#
#  105 ASP  HN          104 PRO  HD-         5.50    (#   2591:25  Unique         2.74, 3.68 A)
 &rst
  ixpk= 2591, nxpk= 25, iat=1559,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1546,1547,
 &end
#
#  103 ASP  HA          104 PRO  HD+         3.50    (#   2594:25  Unique         2.06, 2.33 A)
 &rst
  ixpk= 2594, nxpk= 25, iat=1535,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1546,1547,
 &end
#
#  103 ASP  HA          104 PRO  HD-         2.80    (#   2595:25  Unique         2.06, 2.33 A)
 &rst
  ixpk= 2595, nxpk= 25, iat=1535,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1546,1547,
 &end
#
#  103 ASP  HB+         104 PRO  HD+         5.50    (#   2598:25  Unique         2.48, 4.45 A)
 &rst
  ixpk= 2598, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1537,1538,
 igr2=1546,1547,
 &end
#
#  103 ASP  HB+         104 PRO  HD-         5.50    (#   2599:25  Unique         2.48, 4.45 A)
 &rst
  ixpk= 2599, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1537,1538,
 igr2=1546,1547,
 &end
#
#   16 GLN  HG-         104 PRO  HD+         4.50    (#   2600:25  Unique         3.34, 4.97 A)
 &rst
  ixpk= 2600, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 268, 269,
 igr2=1546,1547,
 &end
#
#  104 PRO  HG+         104 PRO  HD+         4.50    (#   2601:25  Unique         2.28, 2.60 A)
 &rst
  ixpk= 2601, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1549,1550,
 igr2=1546,1547,
 &end
#
#  104 PRO  HG+         104 PRO  HD-         3.50    (#   2602:25  Unique         2.28, 2.60 A)
 &rst
  ixpk= 2602, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1549,1550,
 igr2=1546,1547,
 &end
#
#   16 GLN  HG-         104 PRO  HD-         5.50    (#   2603:25  Unique         3.34, 4.97 A)
 &rst
  ixpk= 2603, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 268, 269,
 igr2=1546,1547,
 &end
#
#    0 AMB  25-2:2604     0 AMB  25-1:2604   3.50    (#   2604:25  Double Ambig)
 &rst
  ixpk= 2604, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1=1549,1550,1552,1553,
 igr2=1546,1547,1546,1547,
 &end
#
#    0 AMB  25-2:2605     0 AMB  25-1:2605   3.50    (#   2605:25  Double Ambig)
 &rst
  ixpk= 2605, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
 igr1=1720,1721,1722,1724,1725,1726,1720,1721,1722,1724,
      1725,1726,
 igr2=1546,1547,1546,1547,
 &end
#
#    0 AMB  25-2:2606   104 PRO  HD-         4.50    (#   2606:25  Single Ambig)
 &rst
  ixpk= 2606, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1=1720,1721,1722,1724,1725,1726,1720,1721,1722,1724,
      1725,1726,
 igr2=1546,1547,
 &end
#
#    0 AMB  25-2:2607   104 PRO  HD-         3.50    (#   2607:25  Single Ambig)
 &rst
  ixpk= 2607, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1549,1550,1552,1553,
 igr2=1546,1547,
 &end
#
#  104 PRO  HB+         104 PRO  HD-         5.50    (#   2608:25  Unique         2.65, 3.63 A)
 &rst
  ixpk= 2608, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1552,1553,
 igr2=1546,1547,
 &end
#
#    0 AMB  25-2:2609   105 ASP  HA          5.50    (#   2609:25  Single Ambig)
 &rst
  ixpk= 2609, nxpk= 25, iat=  -1,1561, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1549,1550,1552,1553,
 &end
#
#  105 ASP  HB-         105 ASP  HA          2.80    (#   2610:25  Unique         2.31, 2.71 A)
 &rst
  ixpk= 2610, nxpk= 25, iat=  -1,1561, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1563,1564,
 &end
#
#  105 ASP  HB+         105 ASP  HA          3.50    (#   2611:25  Unique         2.31, 2.71 A)
 &rst
  ixpk= 2611, nxpk= 25, iat=  -1,1561, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1563,1564,
 &end
#
#    0 AMB  25-2:2612   105 ASP  HA          4.50    (#   2612:25  Single Ambig)
 &rst
  ixpk= 2612, nxpk= 25, iat=  -1,1561, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1573,1574,1555,
 &end
#
#   16 GLN  HE2+        105 ASP  HA          4.50    (#   2615:25  Unique         2.81, 4.14 A)
 &rst
  ixpk= 2615, nxpk= 25, iat=  -1,1561, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 273, 274,
 &end
#
#    0 AMB  25-2:2616   105 ASP  HA          3.50    (#   2616:25  Single Ambig)
 &rst
  ixpk= 2616, nxpk= 25, iat=  -1,1561, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 655, 273, 274,
 &end
#
#  107 GLN  HN          105 ASP  HA          4.50    (#   2617:25  Unique         3.73, 3.98 A)
 &rst
  ixpk= 2617, nxpk= 25, iat=1578,1561, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  106 GLY  HN          105 ASP  HA          3.50    (#   2618:25  Unique         2.14, 2.40 A)
 &rst
  ixpk= 2618, nxpk= 25, iat=1571,1561, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   16 GLN  HE2-        105 ASP  HB-         4.50    (#   2619:25  Unique         1.77, 4.10 A)
 &rst
  ixpk= 2619, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 273, 274,
 igr2=1563,1564,
 &end
#
#  105 ASP  HA          105 ASP  HB+         2.80    (#   2620:25  Unique         2.31, 2.71 A)
 &rst
  ixpk= 2620, nxpk= 25, iat=1561,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1563,1564,
 &end
#
#    0 AMB  25-2:2621   105 ASP  HB-         5.50    (#   2621:25  Single Ambig)
 &rst
  ixpk= 2621, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1573,1574,1555,
 igr2=1563,1564,
 &end
#
#  106 GLY  HN          106 GLY  HA+         4.50    (#   2624:25  Unique         2.25, 2.58 A)
 &rst
  ixpk= 2624, nxpk= 25, iat=1571,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1573,1574,
 &end
#
#  106 GLY  HN          106 GLY  HA-         4.50    (#   2625:25  Unique         2.25, 2.58 A)
 &rst
  ixpk= 2625, nxpk= 25, iat=1571,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1573,1574,
 &end
#
#  107 GLN  HN          106 GLY  HA+         4.50    (#   2626:25  Unique         3.04, 3.37 A)
 &rst
  ixpk= 2626, nxpk= 25, iat=1578,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1573,1574,
 &end
#
#  107 GLN  HN          106 GLY  HA-         4.50    (#   2627:25  Unique         3.04, 3.37 A)
 &rst
  ixpk= 2627, nxpk= 25, iat=1578,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1573,1574,
 &end
#
#  107 GLN  HG+         106 GLY  HA-         5.50    (#   2631:25  Unique         4.14, 5.61 A)
 &rst
  ixpk= 2631, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1585,1586,
 igr2=1573,1574,
 &end
#
#  111 VAL  MGX         107 GLN  HA          5.50    (#   2632:25  Unique         4.52, 6.28 A)
 &rst
  ixpk= 2632, nxpk= 25, iat=  -1,1580, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1646,1647,1648,1650,1651,1652,
 &end
#
#    0 AMB  25-2:2634   107 GLN  HA          3.50    (#   2634:25  Single Ambig)
 &rst
  ixpk= 2634, nxpk= 25, iat=  -1,1580, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1582,1583,1585,1586,
 &end
#
#  107 GLN  HB+         107 GLN  HA          2.80    (#   2635:25  Unique         2.29, 2.54 A)
 &rst
  ixpk= 2635, nxpk= 25, iat=  -1,1580, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1582,1583,
 &end
#
#    0 AMB  25-2:2636   107 GLN  HA          5.50    (#   2636:25  Single Ambig)
 &rst
  ixpk= 2636, nxpk= 25, iat=  -1,1580, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1590,1591,1559,
 &end
#
#    0 AMB  25-2:2637     0 AMB  25-1:2637   4.50    (#   2637:25  Double Ambig)
 &rst
  ixpk= 2637, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1599,1600,1597,
 igr2=1582,1583,1582,1583,
 &end
#
#    0 AMB  25-2:2638     0 AMB  25-1:2638   5.50    (#   2638:25  Double Ambig)
 &rst
  ixpk= 2638, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1=1599,1600,1546,1547,
 igr2=1582,1583,1582,1583,
 &end
#
#  104 PRO  HA          107 GLN  HG+         3.50    (#   2640:25  Unique         2.06, 2.52 A)
 &rst
  ixpk= 2640, nxpk= 25, iat=1555,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1585,1586,
 &end
#
#  107 GLN  HE2-        107 GLN  HG+         4.50    (#   2641:25  Unique         2.21, 3.18 A)
 &rst
  ixpk= 2641, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1590,1591,
 igr2=1585,1586,
 &end
#
#  108 SER  HB+         108 SER  HA          2.80    (#   2643:25  Unique         2.39, 2.73 A)
 &rst
  ixpk= 2643, nxpk= 25, iat=  -1,1597, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1599,1600,
 &end
#
#    0 AMB  25-2:2644   108 SER  HA          4.50    (#   2644:25  Single Ambig)
 &rst
  ixpk= 2644, nxpk= 25, iat=  -1,1597, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1632,1633,1585,1586,
 &end
#
#    0 AMB  25-2:2645   108 SER  HA          5.50    (#   2645:25  Single Ambig)
 &rst
  ixpk= 2645, nxpk= 25, iat=  -1,1597, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1582,1583,1629,1630,
 &end
#
#    0 AMB  25-2:2646   108 SER  HA          4.50    (#   2646:25  Single Ambig)
 &rst
  ixpk= 2646, nxpk= 25, iat=  -1,1597, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1613,1610,1611,
 &end
#
#  109 LEU  HB-         108 SER  HA          5.50    (#   2647:25  Unique         4.16, 5.00 A)
 &rst
  ixpk= 2647, nxpk= 25, iat=  -1,1597, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1610,1611,
 &end
#
#  109 LEU  MDX         108 SER  HA          5.50    (#   2649:25  Unique         3.10, 6.27 A)
 &rst
  ixpk= 2649, nxpk= 25, iat=  -1,1597, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1615,1616,1617,1619,1620,1621,
 &end
#
#  111 VAL  MGY         108 SER  HB-         5.50    (#   2650:25  Unique         2.28, 5.90 A)
 &rst
  ixpk= 2650, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1646,1647,1648,1650,1651,1652,
 igr2=1599,1600,
 &end
#
#  111 VAL  MGY         108 SER  HB+         4.50    (#   2651:25  Unique         2.28, 5.90 A)
 &rst
  ixpk= 2651, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1646,1647,1648,1650,1651,1652,
 igr2=1599,1600,
 &end
#
#  109 LEU  HN          108 SER  HB+         4.50    (#   2652:25  Unique         2.43, 3.12 A)
 &rst
  ixpk= 2652, nxpk= 25, iat=1606,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1599,1600,
 &end
#
#  111 VAL  HN          108 SER  HB-         5.50    (#   2653:25  Unique         2.84, 3.91 A)
 &rst
  ixpk= 2653, nxpk= 25, iat=1640,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1599,1600,
 &end
#
#  111 VAL  HN          108 SER  HB+         5.50    (#   2654:25  Unique         2.84, 3.91 A)
 &rst
  ixpk= 2654, nxpk= 25, iat=1640,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1599,1600,
 &end
#
#  110 GLU  HG+         108 SER  HB-         4.50    (#   2659:25  Unique         2.27, 4.11 A)
 &rst
  ixpk= 2659, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1632,1633,
 igr2=1599,1600,
 &end
#
#    0 AMB  25-2:2660   108 SER  HB-         4.50    (#   2660:25  Single Ambig)
 &rst
  ixpk= 2660, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1582,1583,1585,1586,
 igr2=1599,1600,
 &end
#
#    0 AMB  25-2:2661   108 SER  HB-         5.50    (#   2661:25  Single Ambig)
 &rst
  ixpk= 2661, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1610,1611,1613,
 igr2=1599,1600,
 &end
#
#    0 AMB  25-2:2662   109 LEU  HA          5.50    (#   2662:25  Single Ambig)
 &rst
  ixpk= 2662, nxpk= 25, iat=  -1,1608, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1= 679, 680, 681,1552,1553,
 &end
#
#    0 AMB  25-2:2663   109 LEU  HA          2.80    (#   2663:25  Single Ambig)
 &rst
  ixpk= 2663, nxpk= 25, iat=  -1,1608, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1610,1611,1613,
 &end
#
#  112 PHE  HB+         109 LEU  HA          3.50    (#   2664:25  Unique         2.19, 3.71 A)
 &rst
  ixpk= 2664, nxpk= 25, iat=  -1,1608, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1660,1661,
 &end
#
#  112 PHE  HB-         109 LEU  HA          4.50    (#   2665:25  Unique         2.19, 3.71 A)
 &rst
  ixpk= 2665, nxpk= 25, iat=  -1,1608, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1660,1661,
 &end
#
#  112 PHE  HD          109 LEU  HA          4.50    (#   2666:25  Unique         2.00, 3.89 A)
 &rst
  ixpk= 2666, nxpk= 25, iat=  -1,1608, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1664,1672,
 &end
#
#    0 AMB  25-2:2667   126 LEU  HA          4.50    (#   2667:25  Single Ambig)
 &rst
  ixpk= 2667, nxpk= 25, iat=  -1,1902, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1948,1938,
 &end
#
#  112 PHE  HN          109 LEU  HA          4.50    (#   2668:25  Unique         2.95, 3.25 A)
 &rst
  ixpk= 2668, nxpk= 25, iat=1656,1608, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:2669   109 LEU  HA          4.50    (#   2669:25  Single Ambig)
 &rst
  ixpk= 2669, nxpk= 25, iat=  -1,1608, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1606,1676,
 &end
#
#  109 LEU  HN          109 LEU  HB+         4.50    (#   2670:25  Unique         2.01, 2.74 A)
 &rst
  ixpk= 2670, nxpk= 25, iat=1606,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1610,1611,
 &end
#
#  109 LEU  HN          109 LEU  HB-         5.50    (#   2671:25  Unique         2.01, 2.74 A)
 &rst
  ixpk= 2671, nxpk= 25, iat=1606,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1610,1611,
 &end
#
#  110 GLU  HN          109 LEU  HB-         5.50    (#   2672:25  Unique         2.56, 3.27 A)
 &rst
  ixpk= 2672, nxpk= 25, iat=1625,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1610,1611,
 &end
#
#  110 GLU  HN          109 LEU  HB+         5.50    (#   2673:25  Unique         2.56, 3.27 A)
 &rst
  ixpk= 2673, nxpk= 25, iat=1625,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1610,1611,
 &end
#
#  109 LEU  HA          109 LEU  HB-         3.50    (#   2674:25  Unique         2.40, 2.78 A)
 &rst
  ixpk= 2674, nxpk= 25, iat=1608,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1610,1611,
 &end
#
#  109 LEU  HA          109 LEU  HB+         3.50    (#   2675:25  Unique         2.40, 2.78 A)
 &rst
  ixpk= 2675, nxpk= 25, iat=1608,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1610,1611,
 &end
#
#  109 LEU  MDY         109 LEU  HB-         3.50    (#   2678:25  Unique         2.34, 3.37 A)
 &rst
  ixpk= 2678, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1615,1616,1617,1619,1620,1621,
 igr2=1610,1611,
 &end
#
#  109 LEU  MDX         109 LEU  HB-         3.50    (#   2679:25  Unique         2.34, 3.37 A)
 &rst
  ixpk= 2679, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1615,1616,1617,1619,1620,1621,
 igr2=1610,1611,
 &end
#
#  109 LEU  MDY         109 LEU  HB+         2.80    (#   2680:25  Unique         2.34, 3.37 A)
 &rst
  ixpk= 2680, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1615,1616,1617,1619,1620,1621,
 igr2=1610,1611,
 &end
#
#    0 AMB  25-2:2681   109 LEU  HG          3.50    (#   2681:25  Single Ambig)
 &rst
  ixpk= 2681, nxpk= 25, iat=  -1,1613, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1610,1611,1683,1684,
 &end
#
#  109 LEU  HN          109 LEU  HG          4.50    (#   2682:25  Unique         2.20, 3.61 A)
 &rst
  ixpk= 2682, nxpk= 25, iat=1606,1613, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  112 PHE  HD          109 LEU  MDX         5.50    (#   2683:25  Unique         2.52, 6.45 A)
 &rst
  ixpk= 2683, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1664,1672,
 igr2=1615,1616,1617,1619,1620,1621,
 &end
#
#  112 PHE  HB+         109 LEU  MDX         3.50    (#   2684:25  Unique         2.60, 5.99 A)
 &rst
  ixpk= 2684, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1660,1661,
 igr2=1615,1616,1617,1619,1620,1621,
 &end
#
#   49 MET  HG+         109 LEU  MDX         4.50    (#   2685:25  Unique         2.61, 5.25 A)
 &rst
  ixpk= 2685, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 733, 734,
 igr2=1615,1616,1617,1619,1620,1621,
 &end
#
#    0 AMB  25-2:2686   109 LEU  MDX         2.80    (#   2686:25  Single Ambig)
 &rst
  ixpk= 2686, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1610,1611,1613,
 igr2=1615,1616,1617,1619,1620,1621,
 &end
#
#    0 AMB  25-2:2687   109 LEU  MDX         2.80    (#   2687:25  Single Ambig)
 &rst
  ixpk= 2687, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1=1610,1611,1683,1684,
 igr2=1615,1616,1617,1619,1620,1621,
 &end
#
#   45 THR  MG2         109 LEU  MDX         3.50    (#   2688:25  Unique         2.56, 4.95 A)
 &rst
  ixpk= 2688, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 679, 680, 681,
 igr2=1615,1616,1617,1619,1620,1621,
 &end
#
#  109 LEU  HN          109 LEU  MDY         5.50    (#   2689:25  Unique         1.87, 4.47 A)
 &rst
  ixpk= 2689, nxpk= 25, iat=1606,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1615,1616,1617,1619,1620,1621,
 &end
#
#  110 GLU  HN          109 LEU  MDY         5.50    (#   2690:25  Unique         4.20, 5.68 A)
 &rst
  ixpk= 2690, nxpk= 25, iat=1625,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1615,1616,1617,1619,1620,1621,
 &end
#
#   73 TYR  HD           73 TYR  HA          4.50    (#   2692:25  Unique         3.07, 3.47 A)
 &rst
  ixpk= 2692, nxpk= 25, iat=  -1,1067, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1073,1082,
 &end
#
#  113 ARG  HD-         110 GLU  HA          4.50    (#   2693:25  Unique         2.13, 3.45 A)
 &rst
  ixpk= 2693, nxpk= 25, iat=  -1,1627, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1686,1687,
 &end
#
#  110 GLU  HG+         110 GLU  HA          3.50    (#   2694:25  Unique         2.46, 3.54 A)
 &rst
  ixpk= 2694, nxpk= 25, iat=  -1,1627, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1632,1633,
 &end
#
#  110 GLU  HB+         110 GLU  HA          2.80    (#   2695:25  Unique         2.34, 2.57 A)
 &rst
  ixpk= 2695, nxpk= 25, iat=  -1,1627, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1629,1630,
 &end
#
#  108 SER  HB-         110 GLU  HB+         4.50    (#   2696:25  Unique         2.84, 4.77 A)
 &rst
  ixpk= 2696, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1599,1600,
 igr2=1629,1630,
 &end
#
#   47 ILE  HA           50 MET  HB+         5.50    (#   2698:25  Unique         2.39, 3.51 A)
 &rst
  ixpk= 2698, nxpk= 25, iat= 699,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 747, 748,
 &end
#
#  109 LEU  HB-         110 GLU  HB+         5.50    (#   2699:25  Unique         4.09, 5.75 A)
 &rst
  ixpk= 2699, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1610,1611,
 igr2=1629,1630,
 &end
#
#  114 THR  HB          111 VAL  HA          2.80    (#   2701:25  Unique         2.07, 2.15 A)
 &rst
  ixpk= 2701, nxpk= 25, iat=1704,1642, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  25-2:2703   111 VAL  HA          5.50    (#   2703:25  Single Ambig)
 &rst
  ixpk= 2703, nxpk= 25, iat=  -1,1642, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1627,1599,1600,
 &end
#
#  111 VAL  HB          111 VAL  HA          3.50    (#   2704:25  Unique         2.99, 3.01 A)
 &rst
  ixpk= 2704, nxpk= 25, iat=1644,1642, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   19 GLU  HG-          34 SER  HB-         4.50    (#   2705:25  Unique         2.33, 4.29 A)
 &rst
  ixpk= 2705, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 312, 313,
 igr2= 521, 522,
 &end
#
#  111 VAL  MGY         111 VAL  HA          2.80    (#   2706:25  Unique         2.36, 3.13 A)
 &rst
  ixpk= 2706, nxpk= 25, iat=  -1,1642, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1646,1647,1648,1650,1651,1652,
 &end
#
#  115 VAL  MGY         111 VAL  HA          3.50    (#   2707:25  Unique         3.44, 5.95 A)
 &rst
  ixpk= 2707, nxpk= 25, iat=  -1,1642, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1720,1721,1722,1724,1725,1726,
 &end
#
#  111 VAL  MGX         111 VAL  HA          2.80    (#   2708:25  Unique         2.36, 3.13 A)
 &rst
  ixpk= 2708, nxpk= 25, iat=  -1,1642, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1646,1647,1648,1650,1651,1652,
 &end
#
#  104 PRO  HB+         111 VAL  HB          5.50    (#   2709:25  Unique         2.53, 3.25 A)
 &rst
  ixpk= 2709, nxpk= 25, iat=  -1,1644, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1552,1553,
 &end
#
#  104 PRO  HG+         111 VAL  HB          5.50    (#   2710:25  Unique         4.86, 5.49 A)
 &rst
  ixpk= 2710, nxpk= 25, iat=  -1,1644, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1549,1550,
 &end
#
#   21 PHE  HB+         123 VAL  HB          4.50    (#   2711:25  Unique         2.70, 3.56 A)
 &rst
  ixpk= 2711, nxpk= 25, iat=  -1,1859, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 331, 332,
 &end
#
#  119 VAL  HA          123 VAL  HB          5.50    (#   2712:25  Unique         4.63, 5.36 A)
 &rst
  ixpk= 2712, nxpk= 25, iat=1780,1859, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  25-2:2713     0 AMB  25-1:2713   4.50    (#   2713:25  Double Ambig)
 &rst
  ixpk= 2713, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 349,1546,1547,1818,
 igr2=1859,1644,
 &end
#
#  125 ASN  HN          123 VAL  HB          5.50    (#   2716:25  Unique         5.13, 5.26 A)
 &rst
  ixpk= 2716, nxpk= 25, iat=1886,1859, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  25-2:2717     0 AMB  25-1:2717   2.80    (#   2717:25  Double Ambig)
 &rst
  ixpk= 2717, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=1642, 521, 522,
 igr2=1646,1647,1648,1650,1651,1652, 493, 494, 495, 497,
       498, 499,
 &end
#
#    0 AMB  25-2:2718     0 AMB  25-1:2718   2.80    (#   2718:25  Double Ambig)
 &rst
  ixpk= 2718, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1=1644,1859,
 igr2=1646,1647,1648,1650,1651,1652, 402, 403, 404, 406,
       407, 408,
 &end
#
#  107 GLN  HG+         111 VAL  MGX         3.50    (#   2720:25  Unique         2.25, 4.40 A)
 &rst
  ixpk= 2720, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1585,1586,
 igr2=1646,1647,1648,1650,1651,1652,
 &end
#
#  111 VAL  HA          111 VAL  MGX         2.80    (#   2724:25  Unique         2.36, 3.13 A)
 &rst
  ixpk= 2724, nxpk= 25, iat=1642,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1646,1647,1648,1650,1651,1652,
 &end
#
#  104 PRO  HA          111 VAL  MGX         2.80    (#   2725:25  Unique         2.57, 4.30 A)
 &rst
  ixpk= 2725, nxpk= 25, iat=1555,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1646,1647,1648,1650,1651,1652,
 &end
#
#  108 SER  HB-         111 VAL  MGX         5.50    (#   2726:25  Unique         2.28, 5.90 A)
 &rst
  ixpk= 2726, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1599,1600,
 igr2=1646,1647,1648,1650,1651,1652,
 &end
#
#  107 GLN  HE2+        111 VAL  MGX         4.50    (#   2727:25  Unique         2.60, 5.19 A)
 &rst
  ixpk= 2727, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1590,1591,
 igr2=1646,1647,1648,1650,1651,1652,
 &end
#
#  115 VAL  HN          111 VAL  MGX         4.50    (#   2728:25  Unique         4.00, 5.80 A)
 &rst
  ixpk= 2728, nxpk= 25, iat=1714,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1646,1647,1648,1650,1651,1652,
 &end
#
#  112 PHE  HD          112 PHE  HA          3.50    (#   2730:25  Unique         2.58, 3.60 A)
 &rst
  ixpk= 2730, nxpk= 25, iat=  -1,1658, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1664,1672,
 &end
#
#  115 VAL  HB          112 PHE  HA          3.50    (#   2732:25  Unique         2.60, 2.78 A)
 &rst
  ixpk= 2732, nxpk= 25, iat=1718,1658, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  113 ARG  HG-         112 PHE  HA          5.50    (#   2733:25  Unique         5.11, 5.92 A)
 &rst
  ixpk= 2733, nxpk= 25, iat=  -1,1658, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1683,1684,
 &end
#
#    0 AMB  25-2:2734   112 PHE  HA          3.50    (#   2734:25  Single Ambig)
 &rst
  ixpk= 2734, nxpk= 25, iat=  -1,1658, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1549,1550,1552,1553,
 &end
#
#  111 VAL  MGX         112 PHE  HA          4.50    (#   2735:25  Unique         4.15, 5.99 A)
 &rst
  ixpk= 2735, nxpk= 25, iat=  -1,1658, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1646,1647,1648,1650,1651,1652,
 &end
#
#  104 PRO  HB+         112 PHE  HA          4.50    (#   2737:25  Unique         2.18, 2.84 A)
 &rst
  ixpk= 2737, nxpk= 25, iat=  -1,1658, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1552,1553,
 &end
#
#    0 AMB  25-2:2738     0 AMB  25-1:2738   5.50    (#   2738:25  Double Ambig)
 &rst
  ixpk= 2738, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.06, r4= 9.81,
 igr1=1552,1553, 679, 680, 681,
 igr2=1660,1661,1660,1661,
 &end
#
#  109 LEU  MDX         112 PHE  HB+         5.50    (#   2739:25  Unique         2.60, 5.99 A)
 &rst
  ixpk= 2739, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1615,1616,1617,1619,1620,1621,
 igr2=1660,1661,
 &end
#
#  109 LEU  MDX         112 PHE  HB-         5.50    (#   2740:25  Unique         2.60, 5.99 A)
 &rst
  ixpk= 2740, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1615,1616,1617,1619,1620,1621,
 igr2=1660,1661,
 &end
#
#    0 AMB  25-2:2741   112 PHE  HB-         5.50    (#   2741:25  Single Ambig)
 &rst
  ixpk= 2741, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.07, r4= 8.82,
 igr1=1552,1553, 679, 680, 681,
 igr2=1660,1661,
 &end
#
#    0 AMB  25-2:2742     0 AMB  25-1:2742   5.50    (#   2742:25  Double Ambig)
 &rst
  ixpk= 2742, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.25, r4=11.00,
 igr1=1737,1738,1680,1681, 737, 738, 739,
 igr2=1660,1661,1660,1661,1660,1661,
 &end
#
#   49 MET  HG+         112 PHE  HB+         5.50    (#   2743:25  Unique         2.05, 3.08 A)
 &rst
  ixpk= 2743, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 733, 734,
 igr2=1660,1661,
 &end
#
#    0 AMB  25-2:2744   112 PHE  HB-         4.50    (#   2744:25  Single Ambig)
 &rst
  ixpk= 2744, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.99, r4= 7.74,
 igr1=1737,1738,1680,1681, 737, 738, 739,
 igr2=1660,1661,
 &end
#
#   49 MET  HG+         112 PHE  HB-         3.50    (#   2745:25  Unique         2.05, 3.08 A)
 &rst
  ixpk= 2745, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 733, 734,
 igr2=1660,1661,
 &end
#
#  112 PHE  HA          112 PHE  HB+         4.50    (#   2746:25  Unique         2.41, 2.78 A)
 &rst
  ixpk= 2746, nxpk= 25, iat=1658,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1660,1661,
 &end
#
#  112 PHE  HA          112 PHE  HB-         5.50    (#   2747:25  Unique         2.41, 2.78 A)
 &rst
  ixpk= 2747, nxpk= 25, iat=1658,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1660,1661,
 &end
#
#  109 LEU  HA          112 PHE  HB+         3.50    (#   2750:25  Unique         2.19, 3.71 A)
 &rst
  ixpk= 2750, nxpk= 25, iat=1608,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1660,1661,
 &end
#
#  109 LEU  HA          112 PHE  HB-         4.50    (#   2751:25  Unique         2.19, 3.71 A)
 &rst
  ixpk= 2751, nxpk= 25, iat=1608,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1660,1661,
 &end
#
#  112 PHE  HD          112 PHE  HB+         3.50    (#   2752:25  Unique         2.29, 3.09 A)
 &rst
  ixpk= 2752, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1664,1672,
 igr2=1660,1661,
 &end
#
#  112 PHE  HD          112 PHE  HB-         3.50    (#   2753:25  Unique         2.29, 3.09 A)
 &rst
  ixpk= 2753, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1664,1672,
 igr2=1660,1661,
 &end
#
#  112 PHE  HN          112 PHE  HB+         3.50    (#   2754:25  Unique         2.39, 3.07 A)
 &rst
  ixpk= 2754, nxpk= 25, iat=1656,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1660,1661,
 &end
#
#  112 PHE  HN          112 PHE  HB-         3.50    (#   2755:25  Unique         2.39, 3.07 A)
 &rst
  ixpk= 2755, nxpk= 25, iat=1656,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1660,1661,
 &end
#
#  113 ARG  HN          112 PHE  HB+         4.50    (#   2756:25  Unique         2.30, 2.96 A)
 &rst
  ixpk= 2756, nxpk= 25, iat=1676,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1660,1661,
 &end
#
#  113 ARG  HN          112 PHE  HB-         4.50    (#   2757:25  Unique         2.30, 2.96 A)
 &rst
  ixpk= 2757, nxpk= 25, iat=1676,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1660,1661,
 &end
#
#  114 THR  HN          113 ARG  HA          4.50    (#   2758:25  Unique         3.60, 3.62 A)
 &rst
  ixpk= 2758, nxpk= 25, iat=1700,1678, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:2759   113 ARG  HA          4.50    (#   2759:25  Single Ambig)
 &rst
  ixpk= 2759, nxpk= 25, iat=  -1,1678, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1660,1661,1686,1687,
 &end
#
#  116 ARG  HB-         113 ARG  HA          4.50    (#   2760:25  Unique         3.09, 4.28 A)
 &rst
  ixpk= 2760, nxpk= 25, iat=  -1,1678, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1734,1735,
 &end
#
#  113 ARG  HG+         113 ARG  HA          4.50    (#   2761:25  Unique         2.47, 2.68 A)
 &rst
  ixpk= 2761, nxpk= 25, iat=  -1,1678, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1683,1684,
 &end
#
#    0 AMB  25-2:2762   113 ARG  HA          2.80    (#   2762:25  Single Ambig)
 &rst
  ixpk= 2762, nxpk= 25, iat=  -1,1678, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1737,1738,1680,1681,1734,1735,
 &end
#
#  113 ARG  HG-         113 ARG  HA          3.50    (#   2763:25  Unique         2.47, 2.68 A)
 &rst
  ixpk= 2763, nxpk= 25, iat=  -1,1678, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1683,1684,
 &end
#
#  113 ARG  HN          113 ARG  HB-         4.50    (#   2764:25  Unique         2.28, 2.95 A)
 &rst
  ixpk= 2764, nxpk= 25, iat=1676,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1680,1681,
 &end
#
#  113 ARG  HD+         113 ARG  HB-         4.50    (#   2765:25  Unique         2.42, 2.86 A)
 &rst
  ixpk= 2765, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1686,1687,
 igr2=1680,1681,
 &end
#
#  112 PHE  HB-         113 ARG  HG-         3.50    (#   2771:25  Unique         2.96, 4.31 A)
 &rst
  ixpk= 2771, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1660,1661,
 igr2=1683,1684,
 &end
#
#    0 AMB  25-2:2772     0 AMB  25-1:2772   3.50    (#   2772:25  Double Ambig)
 &rst
  ixpk= 2772, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1278,1279,1678,
 igr2=1270,1271,1683,1684,
 &end
#
#  117 GLY  HA-         120 LYS  HB-         4.50    (#   2774:25  Unique         2.68, 4.09 A)
 &rst
  ixpk= 2774, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1756,1757,
 igr2=1798,1799,
 &end
#
#  110 GLU  HA          113 ARG  HG-         5.50    (#   2775:25  Unique         3.86, 4.82 A)
 &rst
  ixpk= 2775, nxpk= 25, iat=1627,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1683,1684,
 &end
#
#   82 SER  HN           84 VAL  HB          5.50    (#   2779:25  Unique         2.91, 5.29 A)
 &rst
  ixpk= 2779, nxpk= 25, iat=1196,1218, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  25-2:2780     0 AMB  25-1:2780   5.50    (#   2780:25  Double Ambig)
 &rst
  ixpk= 2780, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1700,1656,
 igr2=1683,1684,1683,1684,
 &end
#
#  113 ARG  HN          113 ARG  HG+         3.50    (#   2781:25  Unique         2.27, 3.03 A)
 &rst
  ixpk= 2781, nxpk= 25, iat=1676,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1683,1684,
 &end
#
#  113 ARG  HN          113 ARG  HG-         4.50    (#   2782:25  Unique         2.27, 3.03 A)
 &rst
  ixpk= 2782, nxpk= 25, iat=1676,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1683,1684,
 &end
#
#  113 ARG  HE          113 ARG  HG-         5.50    (#   2783:25  Unique         2.30, 2.51 A)
 &rst
  ixpk= 2783, nxpk= 25, iat=1689,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1683,1684,
 &end
#
#  113 ARG  HE          113 ARG  HG+         5.50    (#   2784:25  Unique         2.30, 2.51 A)
 &rst
  ixpk= 2784, nxpk= 25, iat=1689,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1683,1684,
 &end
#
#  113 ARG  HN          113 ARG  HD-         5.50    (#   2785:25  Unique         3.27, 3.99 A)
 &rst
  ixpk= 2785, nxpk= 25, iat=1676,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1686,1687,
 &end
#
#  113 ARG  HN          113 ARG  HD+         5.50    (#   2786:25  Unique         3.27, 3.99 A)
 &rst
  ixpk= 2786, nxpk= 25, iat=1676,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1686,1687,
 &end
#
#  113 ARG  HE          113 ARG  HD-         4.50    (#   2787:25  Unique         2.71, 2.83 A)
 &rst
  ixpk= 2787, nxpk= 25, iat=1689,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1686,1687,
 &end
#
#  113 ARG  HE          113 ARG  HD+         4.50    (#   2788:25  Unique         2.71, 2.83 A)
 &rst
  ixpk= 2788, nxpk= 25, iat=1689,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1686,1687,
 &end
#
#  109 LEU  HA          113 ARG  HD-         4.50    (#   2793:25  Unique         4.60, 5.50 A)
 &rst
  ixpk= 2793, nxpk= 25, iat=1608,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1686,1687,
 &end
#
#  113 ARG  HG+         113 ARG  HD-         3.50    (#   2795:25  Unique         2.36, 2.75 A)
 &rst
  ixpk= 2795, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1683,1684,
 igr2=1686,1687,
 &end
#
#  113 ARG  HG+         113 ARG  HD+         4.50    (#   2796:25  Unique         2.36, 2.75 A)
 &rst
  ixpk= 2796, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1683,1684,
 igr2=1686,1687,
 &end
#
#  113 ARG  HG-         113 ARG  HD+         2.80    (#   2797:25  Unique         2.36, 2.75 A)
 &rst
  ixpk= 2797, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1683,1684,
 igr2=1686,1687,
 &end
#
#    0 AMB  25-2:2798   114 THR  HA          5.50    (#   2798:25  Single Ambig)
 &rst
  ixpk= 2798, nxpk= 25, iat=  -1,1702, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1720,1721,1722,1724,1725,1726,1720,1721,1722,1724,
      1725,1726,
 &end
#
#    0 AMB  25-2:2799   114 THR  HA          4.50    (#   2799:25  Single Ambig)
 &rst
  ixpk= 2799, nxpk= 25, iat=  -1,1702, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1680,1681,1734,1735,1765,1766,
 &end
#
#  118 GLN  HG+         114 THR  HA          5.50    (#   2800:25  Unique         3.68, 4.79 A)
 &rst
  ixpk= 2800, nxpk= 25, iat=  -1,1702, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1768,1769,
 &end
#
#  114 THR  HB          114 THR  HA          3.50    (#   2801:25  Unique         3.03, 3.03 A)
 &rst
  ixpk= 2801, nxpk= 25, iat=1704,1702, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:2803   114 THR  HA          4.50    (#   2803:25  Single Ambig)
 &rst
  ixpk= 2803, nxpk= 25, iat=  -1,1702, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1754,1761,
 &end
#
#  115 VAL  HN          114 THR  HA          4.50    (#   2804:25  Unique         3.60, 3.62 A)
 &rst
  ixpk= 2804, nxpk= 25, iat=1714,1702, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  114 THR  HA          114 THR  HB          3.50    (#   2806:25  Unique         3.03, 3.03 A)
 &rst
  ixpk= 2806, nxpk= 25, iat=1702,1704, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  111 VAL  HA          114 THR  HB          2.80    (#   2807:25  Unique         2.07, 2.15 A)
 &rst
  ixpk= 2807, nxpk= 25, iat=1642,1704, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  110 GLU  HG+         114 THR  HB          5.50    (#   2808:25  Unique         4.41, 5.86 A)
 &rst
  ixpk= 2808, nxpk= 25, iat=  -1,1704, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1632,1633,
 &end
#
#    0 AMB  25-2:2809   114 THR  HB          4.50    (#   2809:25  Single Ambig)
 &rst
  ixpk= 2809, nxpk= 25, iat=  -1,1704, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1=1718,1680,1681,1765,1766,
 &end
#
#    0 AMB  25-2:2810   114 THR  HB          4.50    (#   2810:25  Single Ambig)
 &rst
  ixpk= 2810, nxpk= 25, iat=  -1,1704, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1720,1721,1722,1724,1725,1726,1720,1721,1722,1724,
      1725,1726,
 &end
#
#  111 VAL  MGX         114 THR  HB          5.50    (#   2811:25  Unique         3.43, 4.80 A)
 &rst
  ixpk= 2811, nxpk= 25, iat=  -1,1704, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1646,1647,1648,1650,1651,1652,
 &end
#
#  116 ARG  HN          115 VAL  HA          3.50    (#   2812:25  Unique         3.52, 3.56 A)
 &rst
  ixpk= 2812, nxpk= 25, iat=1730,1716, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  115 VAL  HN          115 VAL  HA          2.80    (#   2813:25  Unique         2.80, 2.81 A)
 &rst
  ixpk= 2813, nxpk= 25, iat=1714,1716, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  114 THR  HB          115 VAL  HA          5.50    (#   2814:25  Unique         4.37, 4.46 A)
 &rst
  ixpk= 2814, nxpk= 25, iat=1704,1716, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  118 GLN  HB+         115 VAL  HA          2.80    (#   2815:25  Unique         2.14, 3.20 A)
 &rst
  ixpk= 2815, nxpk= 25, iat=  -1,1716, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1765,1766,
 &end
#
#    0 AMB  25-2:2816   115 VAL  HA          2.80    (#   2816:25  Single Ambig)
 &rst
  ixpk= 2816, nxpk= 25, iat=  -1,1716, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1765,1766,1718,
 &end
#
#  126 LEU  HG          123 VAL  HA          4.50    (#   2817:25  Unique         4.07, 4.51 A)
 &rst
  ixpk= 2817, nxpk= 25, iat=1907,1857, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:2818   115 VAL  HA          5.50    (#   2818:25  Single Ambig)
 &rst
  ixpk= 2818, nxpk= 25, iat=  -1,1716, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1522,1523,1503,1504,
 &end
#
#    0 AMB  25-2:2819   115 VAL  HA          3.50    (#   2819:25  Single Ambig)
 &rst
  ixpk= 2819, nxpk= 25, iat=  -1,1716, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1706,1707,1708,1784,1785,1786,1788,1789,1790,
 &end
#
#    0 AMB  25-2:2820   115 VAL  HA          2.80    (#   2820:25  Single Ambig)
 &rst
  ixpk= 2820, nxpk= 25, iat=  -1,1716, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1720,1721,1722,1724,1725,1726,1720,1721,1722,1724,
      1725,1726,
 &end
#
#    0 AMB  25-2:2821   115 VAL  HB          4.50    (#   2821:25  Single Ambig)
 &rst
  ixpk= 2821, nxpk= 25, iat=  -1,1718, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1700,1656,
 &end
#
#    0 AMB  25-2:2822   115 VAL  HB          5.50    (#   2822:25  Single Ambig)
 &rst
  ixpk= 2822, nxpk= 25, iat=  -1,1718, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1754,1761,
 &end
#
#    0 AMB  25-2:2823   115 VAL  MGX         5.50    (#   2823:25  Single Ambig)
 &rst
  ixpk= 2823, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1700,1656,
 igr2=1720,1721,1722,1724,1725,1726,
 &end
#
#    0 AMB  25-2:2824   115 VAL  MGX         4.50    (#   2824:25  Single Ambig)
 &rst
  ixpk= 2824, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1761,1754,
 igr2=1720,1721,1722,1724,1725,1726,
 &end
#
#  107 GLN  HE2+        115 VAL  MGX         5.50    (#   2825:25  Unique         4.60, 7.76 A)
 &rst
  ixpk= 2825, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1590,1591,
 igr2=1720,1721,1722,1724,1725,1726,
 &end
#
#  101 LEU  HA          115 VAL  MGX         4.50    (#   2827:25  Unique         4.22, 6.25 A)
 &rst
  ixpk= 2827, nxpk= 25, iat=1501,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1720,1721,1722,1724,1725,1726,
 &end
#
#  115 VAL  HA          115 VAL  MGX         2.80    (#   2828:25  Unique         2.31, 3.12 A)
 &rst
  ixpk= 2828, nxpk= 25, iat=1716,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1720,1721,1722,1724,1725,1726,
 &end
#
#    0 AMB  25-2:2830   115 VAL  MGX         3.50    (#   2830:25  Single Ambig)
 &rst
  ixpk= 2830, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1765,1766,1782,1537,1538,
 igr2=1720,1721,1722,1724,1725,1726,
 &end
#
#    0 AMB  25-2:2831   115 VAL  MGX         2.80    (#   2831:25  Single Ambig)
 &rst
  ixpk= 2831, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1718,1765,1766,
 igr2=1720,1721,1722,1724,1725,1726,
 &end
#
#  116 ARG  HN          115 VAL  MGY         4.50    (#   2832:25  Unique         3.56, 4.79 A)
 &rst
  ixpk= 2832, nxpk= 25, iat=1730,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1720,1721,1722,1724,1725,1726,
 &end
#
#    0 AMB  25-2:2834   115 VAL  MGY         5.50    (#   2834:25  Single Ambig)
 &rst
  ixpk= 2834, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1700,1656,
 igr2=1720,1721,1722,1724,1725,1726,
 &end
#
#    0 AMB  25-2:2835   115 VAL  MGY         5.50    (#   2835:25  Single Ambig)
 &rst
  ixpk= 2835, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1761,1754,
 igr2=1720,1721,1722,1724,1725,1726,
 &end
#
#  118 GLN  HE2-        115 VAL  MGY         5.50    (#   2837:25  Unique         2.98, 7.42 A)
 &rst
  ixpk= 2837, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1773,1774,
 igr2=1720,1721,1722,1724,1725,1726,
 &end
#
#  114 THR  HB          115 VAL  MGY         3.50    (#   2839:25  Unique         3.10, 5.53 A)
 &rst
  ixpk= 2839, nxpk= 25, iat=1704,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1720,1721,1722,1724,1725,1726,
 &end
#
#  104 PRO  HD-         115 VAL  MGY         3.50    (#   2840:25  Unique         2.03, 3.85 A)
 &rst
  ixpk= 2840, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1546,1547,
 igr2=1720,1721,1722,1724,1725,1726,
 &end
#
#  115 VAL  HA          115 VAL  MGY         2.80    (#   2841:25  Unique         2.31, 3.12 A)
 &rst
  ixpk= 2841, nxpk= 25, iat=1716,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1720,1721,1722,1724,1725,1726,
 &end
#
#    0 AMB  25-2:2842   115 VAL  MGY         4.50    (#   2842:25  Single Ambig)
 &rst
  ixpk= 2842, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1=1765,1766,1782,1537,1538,
 igr2=1720,1721,1722,1724,1725,1726,
 &end
#
#    0 AMB  25-2:2843   115 VAL  MGY         4.50    (#   2843:25  Single Ambig)
 &rst
  ixpk= 2843, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=1644,1737,1738,
 igr2=1720,1721,1722,1724,1725,1726,
 &end
#
#  115 VAL  HB          115 VAL  MGY         2.80    (#   2845:25  Unique         2.26, 2.68 A)
 &rst
  ixpk= 2845, nxpk= 25, iat=1718,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1720,1721,1722,1724,1725,1726,
 &end
#
#  116 ARG  HN          116 ARG  HB-         3.50    (#   2846:25  Unique         2.27, 3.07 A)
 &rst
  ixpk= 2846, nxpk= 25, iat=1730,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1734,1735,
 &end
#
#   21 PHE  HE          116 ARG  HB+         5.50    (#   2847:25  Unique         2.45, 4.88 A)
 &rst
  ixpk= 2847, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 337, 341,
 igr2=1734,1735,
 &end
#
#    0 AMB  25-2:2850   116 ARG  HB-         4.50    (#   2850:25  Single Ambig)
 &rst
  ixpk= 2850, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1678,1756,1757,
 igr2=1734,1735,
 &end
#
#  116 ARG  HA          119 VAL  HB          4.50    (#   2851:25  Unique         2.83, 3.20 A)
 &rst
  ixpk= 2851, nxpk= 25, iat=1732,1782, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  119 VAL  HA          119 VAL  HB          3.50    (#   2853:25  Unique         3.04, 3.05 A)
 &rst
  ixpk= 2853, nxpk= 25, iat=1780,1782, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   18 ALA  HA          119 VAL  HB          5.50    (#   2854:25  Unique         4.30, 4.61 A)
 &rst
  ixpk= 2854, nxpk= 25, iat= 297,1782, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  116 ARG  HD-         116 ARG  HB+         3.50    (#   2855:25  Unique         2.13, 3.21 A)
 &rst
  ixpk= 2855, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1740,1741,
 igr2=1734,1735,
 &end
#
#  117 GLY  HN          116 ARG  HB+         4.50    (#   2859:25  Unique         2.41, 3.06 A)
 &rst
  ixpk= 2859, nxpk= 25, iat=1754,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1734,1735,
 &end
#
#  117 GLY  HN          116 ARG  HB-         3.50    (#   2860:25  Unique         2.41, 3.06 A)
 &rst
  ixpk= 2860, nxpk= 25, iat=1754,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1734,1735,
 &end
#
#  116 ARG  HN          116 ARG  HG+         5.50    (#   2861:25  Unique         2.42, 2.98 A)
 &rst
  ixpk= 2861, nxpk= 25, iat=1730,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1737,1738,
 &end
#
#   21 PHE  HE          116 ARG  HG-         3.50    (#   2862:25  Unique         2.35, 5.38 A)
 &rst
  ixpk= 2862, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 337, 341,
 igr2=1737,1738,
 &end
#
#   21 PHE  HE          116 ARG  HG+         4.50    (#   2863:25  Unique         2.35, 5.38 A)
 &rst
  ixpk= 2863, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 337, 341,
 igr2=1737,1738,
 &end
#
#   21 PHE  HD          116 ARG  HG-         5.50    (#   2864:25  Unique         4.41, 7.10 A)
 &rst
  ixpk= 2864, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 335, 343,
 igr2=1737,1738,
 &end
#
#  116 ARG  HA          116 ARG  HG-         4.50    (#   2866:25  Unique         2.22, 2.83 A)
 &rst
  ixpk= 2866, nxpk= 25, iat=1732,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1737,1738,
 &end
#
#  116 ARG  HD+         116 ARG  HG-         4.50    (#   2867:25  Unique         2.22, 2.66 A)
 &rst
  ixpk= 2867, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1740,1741,
 igr2=1737,1738,
 &end
#
#  116 ARG  HD+         116 ARG  HG+         5.50    (#   2868:25  Unique         2.22, 2.66 A)
 &rst
  ixpk= 2868, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1740,1741,
 igr2=1737,1738,
 &end
#
#  116 ARG  HD-         116 ARG  HG+         5.50    (#   2869:25  Unique         2.22, 2.66 A)
 &rst
  ixpk= 2869, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1740,1741,
 igr2=1737,1738,
 &end
#
#  116 ARG  HD-         116 ARG  HG-         5.50    (#   2870:25  Unique         2.22, 2.66 A)
 &rst
  ixpk= 2870, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1740,1741,
 igr2=1737,1738,
 &end
#
#  116 ARG  HB-         116 ARG  HG-         3.50    (#   2871:25  Unique         2.32, 2.77 A)
 &rst
  ixpk= 2871, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1734,1735,
 igr2=1737,1738,
 &end
#
#   53 VAL  MGX         116 ARG  HG-         5.50    (#   2874:25  Unique         3.16, 5.97 A)
 &rst
  ixpk= 2874, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 796, 797, 798, 800, 801, 802,
 igr2=1737,1738,
 &end
#
#   53 VAL  MGX         116 ARG  HD+         3.50    (#   2875:25  Unique         2.11, 3.90 A)
 &rst
  ixpk= 2875, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 796, 797, 798, 800, 801, 802,
 igr2=1740,1741,
 &end
#
#   53 VAL  MGX         116 ARG  HD-         5.50    (#   2876:25  Unique         2.11, 3.90 A)
 &rst
  ixpk= 2876, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 796, 797, 798, 800, 801, 802,
 igr2=1740,1741,
 &end
#
#   49 MET  HB-         116 ARG  HD+         5.50    (#   2877:25  Unique         3.68, 5.41 A)
 &rst
  ixpk= 2877, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 730, 731,
 igr2=1740,1741,
 &end
#
#   49 MET  HB-         116 ARG  HD-         4.50    (#   2878:25  Unique         3.68, 5.41 A)
 &rst
  ixpk= 2878, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 730, 731,
 igr2=1740,1741,
 &end
#
#    0 AMB  25-2:2879     0 AMB  25-1:2879   3.50    (#   2879:25  Double Ambig)
 &rst
  ixpk= 2879, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1=1734,1735,1737,1738,
 igr2=1740,1741,1740,1741,
 &end
#
#    0 AMB  25-2:2880     0 AMB  25-1:2880   3.50    (#   2880:25  Double Ambig)
 &rst
  ixpk= 2880, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1=1737,1738, 750, 751,
 igr2=1740,1741,1740,1741,
 &end
#
#    0 AMB  25-2:2881   116 ARG  HD-         3.50    (#   2881:25  Single Ambig)
 &rst
  ixpk= 2881, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1734,1735,1737,1738,
 igr2=1740,1741,
 &end
#
#    0 AMB  25-2:2882   116 ARG  HD-         3.50    (#   2882:25  Single Ambig)
 &rst
  ixpk= 2882, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1737,1738, 750, 751,
 igr2=1740,1741,
 &end
#
#  116 ARG  HB-         116 ARG  HD+         5.50    (#   2883:25  Unique         2.13, 3.21 A)
 &rst
  ixpk= 2883, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1734,1735,
 igr2=1740,1741,
 &end
#
#  116 ARG  HB-         116 ARG  HD-         4.50    (#   2885:25  Unique         2.13, 3.21 A)
 &rst
  ixpk= 2885, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1734,1735,
 igr2=1740,1741,
 &end
#
#  116 ARG  HA          116 ARG  HD-         5.50    (#   2888:25  Unique         3.74, 4.18 A)
 &rst
  ixpk= 2888, nxpk= 25, iat=1732,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1740,1741,
 &end
#
#   21 PHE  HD          116 ARG  HD+         5.50    (#   2891:25  Unique         5.22, 6.68 A)
 &rst
  ixpk= 2891, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 335, 343,
 igr2=1740,1741,
 &end
#
#   21 PHE  HE          116 ARG  HD+         5.50    (#   2893:25  Unique         3.19, 4.82 A)
 &rst
  ixpk= 2893, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 337, 341,
 igr2=1740,1741,
 &end
#
#  116 ARG  HE          116 ARG  HD+         5.50    (#   2895:25  Unique         2.20, 2.58 A)
 &rst
  ixpk= 2895, nxpk= 25, iat=1743,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1740,1741,
 &end
#
#  116 ARG  HE          116 ARG  HD-         5.50    (#   2896:25  Unique         2.20, 2.58 A)
 &rst
  ixpk= 2896, nxpk= 25, iat=1743,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1740,1741,
 &end
#
#  116 ARG  HN          116 ARG  HD+         5.50    (#   2897:25  Unique         4.54, 5.01 A)
 &rst
  ixpk= 2897, nxpk= 25, iat=1730,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1740,1741,
 &end
#
#  119 VAL  HN          117 GLY  HA-         5.50    (#   2898:25  Unique         4.78, 5.08 A)
 &rst
  ixpk= 2898, nxpk= 25, iat=1778,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1756,1757,
 &end
#
#  119 VAL  HN          117 GLY  HA+         5.50    (#   2899:25  Unique         4.78, 5.08 A)
 &rst
  ixpk= 2899, nxpk= 25, iat=1778,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1756,1757,
 &end
#
#    0 AMB  25-2:2901   117 GLY  HA-         5.50    (#   2901:25  Single Ambig)
 &rst
  ixpk= 2901, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1816, 337, 341,
 igr2=1756,1757,
 &end
#
#    0 AMB  25-2:2902     0 AMB  25-1:2902   5.50    (#   2902:25  Double Ambig)
 &rst
  ixpk= 2902, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1816, 337, 341,
 igr2=1756,1757,1756,1757,
 &end
#
#  116 ARG  HB-         117 GLY  HA-         4.50    (#   2905:25  Unique         4.06, 4.66 A)
 &rst
  ixpk= 2905, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1734,1735,
 igr2=1756,1757,
 &end
#
#    0 AMB  25-2:2906     0 AMB  25-1:2906   5.50    (#   2906:25  Double Ambig)
 &rst
  ixpk= 2906, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1765,1766,1782,
 igr2=1756,1757,1756,1757,
 &end
#
#  116 ARG  HG-         117 GLY  HA+         5.50    (#   2908:25  Unique         4.50, 6.67 A)
 &rst
  ixpk= 2908, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1737,1738,
 igr2=1756,1757,
 &end
#
#    0 AMB  25-2:2909   117 GLY  HA-         5.50    (#   2909:25  Single Ambig)
 &rst
  ixpk= 2909, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1=1734,1735,1737,1738,1820,1821,1765,1766,
 igr2=1756,1757,
 &end
#
#    0 AMB  25-2:2910     0 AMB  25-1:2910   5.50    (#   2910:25  Double Ambig)
 &rst
  ixpk= 2910, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=11.00, r4=11.75,
 igr1=1734,1735,1737,1738,1820,1821,1765,1766,
 igr2=1756,1757,1756,1757,1756,1757,1756,1757,
 &end
#
#    0 AMB  25-2:2911   117 GLY  HA-         3.50    (#   2911:25  Single Ambig)
 &rst
  ixpk= 2911, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1798,1799,1804,1805,
 igr2=1756,1757,
 &end
#
#    0 AMB  25-2:2912     0 AMB  25-1:2912   4.50    (#   2912:25  Double Ambig)
 &rst
  ixpk= 2912, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1=1798,1799,1804,1805,
 igr2=1756,1757,1756,1757,
 &end
#
#  120 LYS  HB+         117 GLY  HA-         5.50    (#   2913:25  Unique         2.68, 4.09 A)
 &rst
  ixpk= 2913, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1798,1799,
 igr2=1756,1757,
 &end
#
#  120 LYS  HB+         117 GLY  HA+         4.50    (#   2914:25  Unique         2.68, 4.09 A)
 &rst
  ixpk= 2914, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1798,1799,
 igr2=1756,1757,
 &end
#
#   11 ASN  HN           11 ASN  HA          4.50    (#   2918:25  Unique         2.22, 2.80 A)
 &rst
  ixpk= 2918, nxpk= 25, iat= 190, 192, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   80 CYS  HN           80 CYS  HA          3.50    (#   2919:25  Unique         2.22, 2.85 A)
 &rst
  ixpk= 2919, nxpk= 25, iat=1179,1181, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   11 ASN  HD2+         11 ASN  HA          5.50    (#   2920:25  Unique         3.14, 4.23 A)
 &rst
  ixpk= 2920, nxpk= 25, iat=  -1, 192, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 199, 200,
 &end
#
#  119 VAL  HA          118 GLN  HA          5.50    (#   2922:25  Unique         4.64, 4.80 A)
 &rst
  ixpk= 2922, nxpk= 25, iat=1780,1763, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  118 GLN  HG+         118 GLN  HA          2.80    (#   2923:25  Unique         2.37, 3.17 A)
 &rst
  ixpk= 2923, nxpk= 25, iat=  -1,1763, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1768,1769,
 &end
#
#  118 GLN  HG-         118 GLN  HA          3.50    (#   2924:25  Unique         2.37, 3.17 A)
 &rst
  ixpk= 2924, nxpk= 25, iat=  -1,1763, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1768,1769,
 &end
#
#    0 AMB  25-2:2925   118 GLN  HA          2.80    (#   2925:25  Single Ambig)
 &rst
  ixpk= 2925, nxpk= 25, iat=  -1,1763, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1765,1766,1820,1821,
 &end
#
#    0 AMB  25-2:2926   118 GLN  HA          4.50    (#   2926:25  Single Ambig)
 &rst
  ixpk= 2926, nxpk= 25, iat=  -1,1763, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1=1784,1785,1786,1788,1789,1790,1706,1707,1708,
 &end
#
#    0 AMB  25-2:2930     0 AMB  25-1:2930   2.80    (#   2930:25  Double Ambig)
 &rst
  ixpk= 2930, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.11, r4= 6.86,
 igr1=1508,1509,1510,1512,1513,1514,1720,1721,1722,1724,
      1725,1726,1720,1721,1722,1724,1725,1726,
 igr2=1765,1766,1765,1766,1765,1766,
 &end
#
#    0 AMB  25-2:2931     0 AMB  25-1:2931   3.50    (#   2931:25  Double Ambig)
 &rst
  ixpk= 2931, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1784,1785,1786,1788,1789,1790,1706,1707,1708,
 igr2=1765,1766,1765,1766,
 &end
#
#  119 VAL  HA          118 GLN  HB+         5.50    (#   2934:25  Unique         3.92, 4.34 A)
 &rst
  ixpk= 2934, nxpk= 25, iat=1780,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1765,1766,
 &end
#
#  119 VAL  HA          118 GLN  HB-         5.50    (#   2935:25  Unique         3.92, 4.34 A)
 &rst
  ixpk= 2935, nxpk= 25, iat=1780,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1765,1766,
 &end
#
#  115 VAL  HA          118 GLN  HB+         2.80    (#   2936:25  Unique         2.14, 3.20 A)
 &rst
  ixpk= 2936, nxpk= 25, iat=1716,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1765,1766,
 &end
#
#  118 GLN  HE2+        118 GLN  HB+         4.50    (#   2937:25  Unique         2.24, 4.21 A)
 &rst
  ixpk= 2937, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1773,1774,
 igr2=1765,1766,
 &end
#
#  119 VAL  HN          118 GLN  HB+         3.50    (#   2938:25  Unique         2.12, 2.79 A)
 &rst
  ixpk= 2938, nxpk= 25, iat=1778,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1765,1766,
 &end
#
#  119 VAL  HN          118 GLN  HB-         3.50    (#   2939:25  Unique         2.12, 2.79 A)
 &rst
  ixpk= 2939, nxpk= 25, iat=1778,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1765,1766,
 &end
#
#  119 VAL  HN          118 GLN  HG+         5.50    (#   2940:25  Unique         3.93, 4.50 A)
 &rst
  ixpk= 2940, nxpk= 25, iat=1778,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1768,1769,
 &end
#
#  119 VAL  HN          118 GLN  HG-         4.50    (#   2941:25  Unique         3.93, 4.50 A)
 &rst
  ixpk= 2941, nxpk= 25, iat=1778,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1768,1769,
 &end
#
#  118 GLN  HE2-        118 GLN  HG+         4.50    (#   2944:25  Unique         2.21, 3.28 A)
 &rst
  ixpk= 2944, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1773,1774,
 igr2=1768,1769,
 &end
#
#  115 VAL  HA          118 GLN  HG+         3.50    (#   2945:25  Unique         2.53, 3.53 A)
 &rst
  ixpk= 2945, nxpk= 25, iat=1716,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1768,1769,
 &end
#
#  118 GLN  HB-         118 GLN  HG+         2.80    (#   2946:25  Unique         2.31, 2.68 A)
 &rst
  ixpk= 2946, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1765,1766,
 igr2=1768,1769,
 &end
#
#  114 THR  MG2         118 GLN  HG+         2.80    (#   2947:25  Unique         2.19, 3.64 A)
 &rst
  ixpk= 2947, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1706,1707,1708,
 igr2=1768,1769,
 &end
#
#  114 THR  MG2         118 GLN  HG-         3.50    (#   2948:25  Unique         2.19, 3.64 A)
 &rst
  ixpk= 2948, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1706,1707,1708,
 igr2=1768,1769,
 &end
#
#    0 AMB  25-2:2949     0 AMB  25-1:2949   4.50    (#   2949:25  Double Ambig)
 &rst
  ixpk= 2949, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
 igr1=1720,1721,1722,1724,1725,1726,1720,1721,1722,1724,
      1725,1726,
 igr2=1768,1769,1768,1769,
 &end
#
#   57 ILE  QG2          50 MET  HG-         3.50    (#   2950:25  Unique         3.23, 5.17 A)
 &rst
  ixpk= 2950, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 850, 851, 852,
 igr2= 750, 751,
 &end
#
#   57 ILE  QD1          50 MET  HG-         3.50    (#   2951:25  Unique         2.23, 3.20 A)
 &rst
  ixpk= 2951, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 857, 858, 859,
 igr2= 750, 751,
 &end
#
#  122 ARG  HG-         119 VAL  HA          4.50    (#   2952:25  Unique         2.64, 4.06 A)
 &rst
  ixpk= 2952, nxpk= 25, iat=  -1,1780, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1838,1839,
 &end
#
#  123 VAL  MGX         119 VAL  HA          4.50    (#   2953:25  Unique         3.59, 6.20 A)
 &rst
  ixpk= 2953, nxpk= 25, iat=  -1,1780, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1861,1862,1863,1865,1866,1867,
 &end
#
#  101 LEU  HG          119 VAL  HA          5.50    (#   2955:25  Unique         2.70, 3.84 A)
 &rst
  ixpk= 2955, nxpk= 25, iat=1506,1780, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  25-2:2956   119 VAL  HA          4.50    (#   2956:25  Single Ambig)
 &rst
  ixpk= 2956, nxpk= 25, iat=  -1,1780, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1765,1766,1820,1821,
 &end
#
#    0 AMB  25-2:2957   119 VAL  HA          4.50    (#   2957:25  Single Ambig)
 &rst
  ixpk= 2957, nxpk= 25, iat=  -1,1780, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1841,1842,1859,
 &end
#
#    0 AMB  25-2:2958   119 VAL  HA          3.50    (#   2958:25  Single Ambig)
 &rst
  ixpk= 2958, nxpk= 25, iat=  -1,1780, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1782,1765,1766,
 &end
#
#  120 LYS  HA          119 VAL  HA          5.50    (#   2959:25  Unique         4.85, 4.90 A)
 &rst
  ixpk= 2959, nxpk= 25, iat=1796,1780, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  25-2:2960   119 VAL  HA          5.50    (#   2960:25  Single Ambig)
 &rst
  ixpk= 2960, nxpk= 25, iat=  -1,1780, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1763,1732,
 &end
#
#  122 ARG  HE          119 VAL  HA          5.50    (#   2961:25  Unique         4.07, 4.89 A)
 &rst
  ixpk= 2961, nxpk= 25, iat=1844,1780, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  25-2:2962   119 VAL  HA          5.50    (#   2962:25  Single Ambig)
 &rst
  ixpk= 2962, nxpk= 25, iat=  -1,1780, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1477,1773,1774,
 &end
#
#    0 AMB  25-2:2963   119 VAL  HA          5.50    (#   2963:25  Single Ambig)
 &rst
  ixpk= 2963, nxpk= 25, iat=  -1,1780, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1816, 337, 341,
 &end
#
#  122 ARG  HN          119 VAL  HA          4.50    (#   2964:25  Unique         3.18, 3.52 A)
 &rst
  ixpk= 2964, nxpk= 25, iat=1831,1780, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  120 LYS  HN          119 VAL  HA          4.50    (#   2965:25  Unique         3.58, 3.64 A)
 &rst
  ixpk= 2965, nxpk= 25, iat=1794,1780, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  123 VAL  HN          119 VAL  HA          5.50    (#   2966:25  Unique         3.86, 4.05 A)
 &rst
  ixpk= 2966, nxpk= 25, iat=1855,1780, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   21 PHE  HE          119 VAL  HB          4.50    (#   2967:25  Unique         2.89, 5.41 A)
 &rst
  ixpk= 2967, nxpk= 25, iat=  -1,1782, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 337, 341,
 &end
#
#   21 PHE  HD          119 VAL  HB          4.50    (#   2968:25  Unique         2.70, 5.29 A)
 &rst
  ixpk= 2968, nxpk= 25, iat=  -1,1782, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 335, 343,
 &end
#
#   87 PRO  HD-          87 PRO  HB+         4.50    (#   2969:25  Unique         2.83, 3.69 A)
 &rst
  ixpk= 2969, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1264,1265,
 igr2=1270,1271,
 &end
#
#   88 PRO  HD+          87 PRO  HB+         3.50    (#   2970:25  Unique         2.27, 3.49 A)
 &rst
  ixpk= 2970, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1278,1279,
 igr2=1270,1271,
 &end
#
#    0 AMB  25-2:2971   119 VAL  HB          4.50    (#   2971:25  Single Ambig)
 &rst
  ixpk= 2971, nxpk= 25, iat=  -1,1782, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1861,1862,1863,1865,1866,1867,1804,1805,
 &end
#
#  119 VAL  MGY         119 VAL  HB          2.80    (#   2972:25  Unique         2.35, 2.67 A)
 &rst
  ixpk= 2972, nxpk= 25, iat=  -1,1782, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1784,1785,1786,1788,1789,1790,
 &end
#
#  119 VAL  MGX         119 VAL  HB          2.80    (#   2973:25  Unique         2.35, 2.67 A)
 &rst
  ixpk= 2973, nxpk= 25, iat=  -1,1782, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1784,1785,1786,1788,1789,1790,
 &end
#
#    0 AMB  25-2:2974   119 VAL  HB          4.50    (#   2974:25  Single Ambig)
 &rst
  ixpk= 2974, nxpk= 25, iat=  -1,1782, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=1720,1721,1722,1724,1725,1726,1720,1721,1722,1724,
      1725,1726,1508,1509,1510,1512,1513,1514,
 &end
#
#    0 AMB  25-2:2975   119 VAL  HB          5.50    (#   2975:25  Single Ambig)
 &rst
  ixpk= 2975, nxpk= 25, iat=  -1,1782, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1=1798,1799, 299, 300, 301,
 &end
#
#  123 VAL  MGX           0 AMB  25-1:2976   2.80    (#   2976:25  Single Ambig)
 &rst
  ixpk= 2976, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.71, r4= 6.46,
 igr1=1861,1862,1863,1865,1866,1867,
 igr2=1784,1785,1786,1788,1789,1790,1909,1910,1911,1913,
      1914,1915,
 &end
#
#    0 AMB  25-2:2977     0 AMB  25-1:2977   2.80    (#   2977:25  Double Ambig)
 &rst
  ixpk= 2977, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
 igr1=1904,1905,1782,1765,1766,
 igr2=1909,1910,1911,1913,1914,1915,1784,1785,1786,1788,
      1789,1790,
 &end
#
#  120 LYS  HA          119 VAL  MGX         4.50    (#   2978:25  Unique         3.12, 5.50 A)
 &rst
  ixpk= 2978, nxpk= 25, iat=1796,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1784,1785,1786,1788,1789,1790,
 &end
#
#    0 AMB  25-2:2979   119 VAL  MGX         4.50    (#   2979:25  Single Ambig)
 &rst
  ixpk= 2979, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 285, 286,1462,1463,
 igr2=1784,1785,1786,1788,1789,1790,
 &end
#
#   18 ALA  HA          119 VAL  MGX         2.80    (#   2980:25  Unique         2.22, 3.84 A)
 &rst
  ixpk= 2980, nxpk= 25, iat= 297,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1784,1785,1786,1788,1789,1790,
 &end
#
#   99 TRP  HZ2         126 LEU  MDX         4.50    (#   2981:25  Unique         3.22, 5.26 A)
 &rst
  ixpk= 2981, nxpk= 25, iat=1471,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1909,1910,1911,1913,1914,1915,
 &end
#
#   21 PHE  HN          119 VAL  MGX         5.50    (#   2983:25  Unique         4.26, 6.37 A)
 &rst
  ixpk= 2983, nxpk= 25, iat= 327,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1784,1785,1786,1788,1789,1790,
 &end
#
#  123 VAL  HN          119 VAL  MGX         5.50    (#   2984:25  Unique         3.88, 5.65 A)
 &rst
  ixpk= 2984, nxpk= 25, iat=1855,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1784,1785,1786,1788,1789,1790,
 &end
#
#  119 VAL  HN          119 VAL  MGX         4.50    (#   2985:25  Unique         1.93, 3.80 A)
 &rst
  ixpk= 2985, nxpk= 25, iat=1778,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1784,1785,1786,1788,1789,1790,
 &end
#
#  123 VAL  HN          119 VAL  MGY         5.50    (#   2987:25  Unique         3.88, 5.65 A)
 &rst
  ixpk= 2987, nxpk= 25, iat=1855,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1784,1785,1786,1788,1789,1790,
 &end
#
#   19 GLU  HN          119 VAL  MGY         5.50    (#   2988:25  Unique         5.06, 6.68 A)
 &rst
  ixpk= 2988, nxpk= 25, iat= 305,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1784,1785,1786,1788,1789,1790,
 &end
#
#  120 LYS  HN          119 VAL  MGY         4.50    (#   2989:25  Unique         3.24, 4.58 A)
 &rst
  ixpk= 2989, nxpk= 25, iat=1794,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1784,1785,1786,1788,1789,1790,
 &end
#
#   18 ALA  HN          119 VAL  MGY         5.50    (#   2990:25  Unique         2.32, 4.37 A)
 &rst
  ixpk= 2990, nxpk= 25, iat= 295,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1784,1785,1786,1788,1789,1790,
 &end
#
#    0 AMB  25-2:2991   119 VAL  MGY         5.50    (#   2991:25  Single Ambig)
 &rst
  ixpk= 2991, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1= 337, 341,1816,
 igr2=1784,1785,1786,1788,1789,1790,
 &end
#
#   21 PHE  HD          119 VAL  MGY         4.50    (#   2992:25  Unique         2.27, 6.37 A)
 &rst
  ixpk= 2992, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 335, 343,
 igr2=1784,1785,1786,1788,1789,1790,
 &end
#
#  122 ARG  HE          119 VAL  MGY         5.50    (#   2993:25  Unique         4.19, 7.10 A)
 &rst
  ixpk= 2993, nxpk= 25, iat=1844,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1784,1785,1786,1788,1789,1790,
 &end
#
#   18 ALA  HA          119 VAL  MGY         3.50    (#   2994:25  Unique         2.22, 3.84 A)
 &rst
  ixpk= 2994, nxpk= 25, iat= 297,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1784,1785,1786,1788,1789,1790,
 &end
#
#    0 AMB  25-2:2995   119 VAL  MGY         5.50    (#   2995:25  Single Ambig)
 &rst
  ixpk= 2995, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1= 285, 286,1462,1463,
 igr2=1784,1785,1786,1788,1789,1790,
 &end
#
#   21 PHE  HB+         119 VAL  MGY         5.50    (#   2996:25  Unique         2.88, 6.06 A)
 &rst
  ixpk= 2996, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 331, 332,
 igr2=1784,1785,1786,1788,1789,1790,
 &end
#
#  120 LYS  HA          119 VAL  MGY         5.50    (#   2999:25  Unique         3.12, 5.50 A)
 &rst
  ixpk= 2999, nxpk= 25, iat=1796,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1784,1785,1786,1788,1789,1790,
 &end
#
#    0 AMB  25-2:3000   119 VAL  MGY         2.80    (#   3000:25  Single Ambig)
 &rst
  ixpk= 3000, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1782,1765,1766,
 igr2=1784,1785,1786,1788,1789,1790,
 &end
#
#  123 VAL  HB          119 VAL  MGY         5.50    (#   3001:25  Unique         3.39, 5.88 A)
 &rst
  ixpk= 3001, nxpk= 25, iat=1859,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1784,1785,1786,1788,1789,1790,
 &end
#
#   50 MET  ME          119 VAL  MGY         5.50    (#   3002:25  Unique         5.50, 7.75 A)
 &rst
  ixpk= 3002, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1= 754, 755, 756,
 igr2=1784,1785,1786,1788,1789,1790,
 &end
#
#  101 LEU  HG          119 VAL  MGY         3.50    (#   3003:25  Unique         2.22, 4.04 A)
 &rst
  ixpk= 3003, nxpk= 25, iat=1506,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1784,1785,1786,1788,1789,1790,
 &end
#
#   18 ALA  MB          119 VAL  MGY         3.50    (#   3004:25  Unique         2.60, 4.84 A)
 &rst
  ixpk= 3004, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 299, 300, 301,
 igr2=1784,1785,1786,1788,1789,1790,
 &end
#
#  120 LYS  HG-         120 LYS  HA          3.50    (#   3005:25  Unique         2.45, 2.81 A)
 &rst
  ixpk= 3005, nxpk= 25, iat=  -1,1796, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1801,1802,
 &end
#
#  120 LYS  HB+         120 LYS  HA          3.50    (#   3006:25  Unique         2.47, 2.79 A)
 &rst
  ixpk= 3006, nxpk= 25, iat=  -1,1796, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1798,1799,
 &end
#
#  120 LYS  HG+         120 LYS  HA          3.50    (#   3007:25  Unique         2.45, 2.81 A)
 &rst
  ixpk= 3007, nxpk= 25, iat=  -1,1796, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1801,1802,
 &end
#
#  120 LYS  HB-         120 LYS  HA          2.80    (#   3008:25  Unique         2.47, 2.79 A)
 &rst
  ixpk= 3008, nxpk= 25, iat=  -1,1796, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1798,1799,
 &end
#
#    0 AMB  25-2:3009   120 LYS  HA          5.50    (#   3009:25  Single Ambig)
 &rst
  ixpk= 3009, nxpk= 25, iat=  -1,1796, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1820,1821,1734,1735,1737,1738,
 &end
#
#  123 VAL  HB          120 LYS  HA          5.50    (#   3010:25  Unique         2.75, 3.29 A)
 &rst
  ixpk= 3010, nxpk= 25, iat=1859,1796, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   21 PHE  HB-         120 LYS  HA          5.50    (#   3011:25  Unique         2.95, 3.62 A)
 &rst
  ixpk= 3011, nxpk= 25, iat=  -1,1796, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 331, 332,
 &end
#
#   21 PHE  HD          120 LYS  HA          5.50    (#   3013:25  Unique         2.87, 4.01 A)
 &rst
  ixpk= 3013, nxpk= 25, iat=  -1,1796, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 335, 343,
 &end
#
#    0 AMB  25-2:3014   120 LYS  HA          4.50    (#   3014:25  Single Ambig)
 &rst
  ixpk= 3014, nxpk= 25, iat=  -1,1796, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1816, 337, 341,
 &end
#
#  123 VAL  HN          120 LYS  HA          5.50    (#   3015:25  Unique         3.63, 3.73 A)
 &rst
  ixpk= 3015, nxpk= 25, iat=1855,1796, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  124 GLU  HN          120 LYS  HA          5.50    (#   3016:25  Unique         3.84, 3.93 A)
 &rst
  ixpk= 3016, nxpk= 25, iat=1871,1796, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  120 LYS  HN          120 LYS  HB-         3.50    (#   3017:25  Unique         2.33, 2.52 A)
 &rst
  ixpk= 3017, nxpk= 25, iat=1794,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1798,1799,
 &end
#
#  120 LYS  HN          120 LYS  HB+         3.50    (#   3018:25  Unique         2.33, 2.52 A)
 &rst
  ixpk= 3018, nxpk= 25, iat=1794,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1798,1799,
 &end
#
#    0 AMB  25-2:3019   120 LYS  HB-         3.50    (#   3019:25  Single Ambig)
 &rst
  ixpk= 3019, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1816, 337, 341,
 igr2=1798,1799,
 &end
#
#    0 AMB  25-2:3020     0 AMB  25-1:3020   4.50    (#   3020:25  Double Ambig)
 &rst
  ixpk= 3020, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1816, 337, 341,
 igr2=1798,1799,1798,1799,
 &end
#
#   21 PHE  HD          120 LYS  HB+         5.50    (#   3021:25  Unique         3.45, 5.22 A)
 &rst
  ixpk= 3021, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 335, 343,
 igr2=1798,1799,
 &end
#
#   21 PHE  HD          120 LYS  HB-         5.50    (#   3022:25  Unique         3.45, 5.22 A)
 &rst
  ixpk= 3022, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 335, 343,
 igr2=1798,1799,
 &end
#
#  117 GLY  HA+         120 LYS  HB+         5.50    (#   3023:25  Unique         2.68, 4.09 A)
 &rst
  ixpk= 3023, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1756,1757,
 igr2=1798,1799,
 &end
#
#  120 LYS  HA          120 LYS  HB-         3.50    (#   3024:25  Unique         2.47, 2.79 A)
 &rst
  ixpk= 3024, nxpk= 25, iat=1796,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1798,1799,
 &end
#
#  120 LYS  HE-         120 LYS  HB-         5.50    (#   3025:25  Unique         4.29, 4.59 A)
 &rst
  ixpk= 3025, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1807,1808,
 igr2=1798,1799,
 &end
#
#    0 AMB  25-2:3026   120 LYS  HB-         5.50    (#   3026:25  Single Ambig)
 &rst
  ixpk= 3026, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1807,1808, 331, 332,
 igr2=1798,1799,
 &end
#
#  120 LYS  HE-         120 LYS  HB+         5.50    (#   3028:25  Unique         4.29, 4.59 A)
 &rst
  ixpk= 3028, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1807,1808,
 igr2=1798,1799,
 &end
#
#  120 LYS  HA          120 LYS  HB+         3.50    (#   3029:25  Unique         2.47, 2.79 A)
 &rst
  ixpk= 3029, nxpk= 25, iat=1796,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1798,1799,
 &end
#
#  120 LYS  HG+         120 LYS  HB-         3.50    (#   3031:25  Unique         2.42, 2.76 A)
 &rst
  ixpk= 3031, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1801,1802,
 igr2=1798,1799,
 &end
#
#  120 LYS  HG+         120 LYS  HB+         2.80    (#   3033:25  Unique         2.42, 2.76 A)
 &rst
  ixpk= 3033, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1801,1802,
 igr2=1798,1799,
 &end
#
#  120 LYS  HG-         120 LYS  HB-         3.50    (#   3034:25  Unique         2.42, 2.76 A)
 &rst
  ixpk= 3034, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1801,1802,
 igr2=1798,1799,
 &end
#
#  120 LYS  HG-         120 LYS  HB+         3.50    (#   3035:25  Unique         2.42, 2.76 A)
 &rst
  ixpk= 3035, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1801,1802,
 igr2=1798,1799,
 &end
#
#    0 AMB  25-2:3036     0 AMB  25-1:3036   4.50    (#   3036:25  Double Ambig)
 &rst
  ixpk= 3036, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1=1807,1808, 331, 332,
 igr2=1801,1802,1801,1802,
 &end
#
#    0 AMB  25-2:3037     0 AMB  25-1:3037   4.50    (#   3037:25  Double Ambig)
 &rst
  ixpk= 3037, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.80, r4= 9.55,
 igr1=1878,1879, 942, 943,1218, 972, 973,
 igr2=1801,1802, 555, 556, 557, 559, 560, 561,
 &end
#
#  120 LYS  HB+         120 LYS  HG-         3.50    (#   3039:25  Unique         2.42, 2.76 A)
 &rst
  ixpk= 3039, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1798,1799,
 igr2=1801,1802,
 &end
#
#  124 GLU  HB+         120 LYS  HG-         5.50    (#   3040:25  Unique         3.92, 5.25 A)
 &rst
  ixpk= 3040, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1875,1876,
 igr2=1801,1802,
 &end
#
#  124 GLU  HG+         120 LYS  HG-         5.50    (#   3041:25  Unique         2.50, 3.79 A)
 &rst
  ixpk= 3041, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1878,1879,
 igr2=1801,1802,
 &end
#
#  120 LYS  HA          120 LYS  HG-         3.50    (#   3042:25  Unique         2.45, 2.81 A)
 &rst
  ixpk= 3042, nxpk= 25, iat=1796,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1801,1802,
 &end
#
#  120 LYS  HE-         120 LYS  HG-         3.50    (#   3043:25  Unique         2.43, 3.02 A)
 &rst
  ixpk= 3043, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1807,1808,
 igr2=1801,1802,
 &end
#
#    0 AMB  25-2:3044   120 LYS  HG-         4.50    (#   3044:25  Single Ambig)
 &rst
  ixpk= 3044, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1807,1808, 331, 332,
 igr2=1801,1802,
 &end
#
#  120 LYS  HN          120 LYS  HG-         5.50    (#   3045:25  Unique         4.30, 4.46 A)
 &rst
  ixpk= 3045, nxpk= 25, iat=1794,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1801,1802,
 &end
#
#    0 AMB  25-2:3046   120 LYS  HG-         5.50    (#   3046:25  Single Ambig)
 &rst
  ixpk= 3046, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 337, 341,1816,
 igr2=1801,1802,
 &end
#
#   21 PHE  HD          120 LYS  HG-         5.50    (#   3047:25  Unique         3.38, 5.02 A)
 &rst
  ixpk= 3047, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 335, 343,
 igr2=1801,1802,
 &end
#
#   21 PHE  HD          120 LYS  HD-         5.50    (#   3048:25  Unique         4.23, 5.88 A)
 &rst
  ixpk= 3048, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 335, 343,
 igr2=1804,1805,
 &end
#
#   21 PHE  HD          120 LYS  HD+         5.50    (#   3049:25  Unique         4.23, 5.88 A)
 &rst
  ixpk= 3049, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 335, 343,
 igr2=1804,1805,
 &end
#
#   21 PHE  HE          120 LYS  HD-         5.50    (#   3050:25  Unique         3.14, 4.75 A)
 &rst
  ixpk= 3050, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 337, 341,
 igr2=1804,1805,
 &end
#
#   21 PHE  HE          120 LYS  HD+         5.50    (#   3051:25  Unique         3.14, 4.75 A)
 &rst
  ixpk= 3051, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 337, 341,
 igr2=1804,1805,
 &end
#
#  117 GLY  HA-         120 LYS  HD-         5.50    (#   3052:25  Unique         3.34, 4.92 A)
 &rst
  ixpk= 3052, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1756,1757,
 igr2=1804,1805,
 &end
#
#  117 GLY  HA-         120 LYS  HD+         5.50    (#   3053:25  Unique         3.34, 4.92 A)
 &rst
  ixpk= 3053, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1756,1757,
 igr2=1804,1805,
 &end
#
#  120 LYS  HG+         120 LYS  HD-         3.50    (#   3054:25  Unique         2.42, 2.77 A)
 &rst
  ixpk= 3054, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1801,1802,
 igr2=1804,1805,
 &end
#
#  120 LYS  HG+         120 LYS  HD+         3.50    (#   3055:25  Unique         2.42, 2.77 A)
 &rst
  ixpk= 3055, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1801,1802,
 igr2=1804,1805,
 &end
#
#  120 LYS  HB+         120 LYS  HD-         4.50    (#   3056:25  Unique         2.43, 2.78 A)
 &rst
  ixpk= 3056, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1798,1799,
 igr2=1804,1805,
 &end
#
#  120 LYS  HB+         120 LYS  HD+         3.50    (#   3057:25  Unique         2.43, 2.78 A)
 &rst
  ixpk= 3057, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1798,1799,
 igr2=1804,1805,
 &end
#
#  120 LYS  HG-         120 LYS  HD-         3.50    (#   3058:25  Unique         2.42, 2.77 A)
 &rst
  ixpk= 3058, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1801,1802,
 igr2=1804,1805,
 &end
#
#  120 LYS  HG-         120 LYS  HD+         3.50    (#   3059:25  Unique         2.42, 2.77 A)
 &rst
  ixpk= 3059, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1801,1802,
 igr2=1804,1805,
 &end
#
#  120 LYS  HG-         121 GLU  HA          5.50    (#   3060:25  Unique         3.44, 4.43 A)
 &rst
  ixpk= 3060, nxpk= 25, iat=  -1,1818, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1801,1802,
 &end
#
#  120 LYS  HG+         121 GLU  HA          5.50    (#   3061:25  Unique         3.44, 4.43 A)
 &rst
  ixpk= 3061, nxpk= 25, iat=  -1,1818, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1801,1802,
 &end
#
#    0 AMB  25-2:3062   121 GLU  HA          4.50    (#   3062:25  Single Ambig)
 &rst
  ixpk= 3062, nxpk= 25, iat=  -1,1818, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1798,1799,1804,1805,
 &end
#
#    0 AMB  25-2:3063   121 GLU  HA          2.80    (#   3063:25  Single Ambig)
 &rst
  ixpk= 3063, nxpk= 25, iat=  -1,1818, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1820,1821,1820,1821,
 &end
#
#  124 GLU  HB+         121 GLU  HA          2.80    (#   3064:25  Unique         2.36, 3.32 A)
 &rst
  ixpk= 3064, nxpk= 25, iat=  -1,1818, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1875,1876,
 &end
#
#  120 LYS  HA          121 GLU  HA          5.50    (#   3065:25  Unique         4.77, 4.80 A)
 &rst
  ixpk= 3065, nxpk= 25, iat=1796,1818, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  25-2:3066   121 GLU  HA          5.50    (#   3066:25  Single Ambig)
 &rst
  ixpk= 3066, nxpk= 25, iat=  -1,1818, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1890,1891,1807,1808,
 &end
#
#    0 AMB  25-2:3067   121 GLU  HA          4.50    (#   3067:25  Single Ambig)
 &rst
  ixpk= 3067, nxpk= 25, iat=  -1,1818, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1886,1794,
 &end
#
#  123 VAL  HN          121 GLU  HA          5.50    (#   3068:25  Unique         4.54, 4.63 A)
 &rst
  ixpk= 3068, nxpk= 25, iat=1855,1818, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  121 GLU  HA          121 GLU  HB+         2.80    (#   3069:25  Unique         2.41, 2.74 A)
 &rst
  ixpk= 3069, nxpk= 25, iat=1818,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1820,1821,
 &end
#
#    0 AMB  25-2:3071     0 AMB  25-1:3071   5.50    (#   3071:25  Double Ambig)
 &rst
  ixpk= 3071, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1=1798,1799,1804,1805,
 igr2=1820,1821,1820,1821,
 &end
#
#  123 VAL  HN          122 ARG  HA          5.50    (#   3073:25  Unique         3.57, 3.58 A)
 &rst
  ixpk= 3073, nxpk= 25, iat=1855,1833, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  125 ASN  HN          122 ARG  HA          4.50    (#   3074:25  Unique         3.22, 3.43 A)
 &rst
  ixpk= 3074, nxpk= 25, iat=1886,1833, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  125 ASN  HB-         122 ARG  HA          3.50    (#   3076:25  Unique         2.62, 3.24 A)
 &rst
  ixpk= 3076, nxpk= 25, iat=  -1,1833, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1890,1891,
 &end
#
#  122 ARG  HD+         122 ARG  HA          3.50    (#   3077:25  Unique         2.79, 4.05 A)
 &rst
  ixpk= 3077, nxpk= 25, iat=  -1,1833, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1841,1842,
 &end
#
#    0 AMB  25-2:3078   122 ARG  HA          4.50    (#   3078:25  Single Ambig)
 &rst
  ixpk= 3078, nxpk= 25, iat=  -1,1833, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1820,1821,1875,1876,
 &end
#
#  122 ARG  HG-         122 ARG  HA          3.50    (#   3079:25  Unique         2.23, 2.94 A)
 &rst
  ixpk= 3079, nxpk= 25, iat=  -1,1833, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1838,1839,
 &end
#
#  123 VAL  HN          122 ARG  HB+         5.50    (#   3080:25  Unique         2.36, 3.12 A)
 &rst
  ixpk= 3080, nxpk= 25, iat=1855,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1835,1836,
 &end
#
#  119 VAL  HA          122 ARG  HB+         4.50    (#   3081:25  Unique         2.66, 3.85 A)
 &rst
  ixpk= 3081, nxpk= 25, iat=1780,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1835,1836,
 &end
#
#  122 ARG  HD+         122 ARG  HB+         3.50    (#   3082:25  Unique         2.24, 2.83 A)
 &rst
  ixpk= 3082, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1841,1842,
 igr2=1835,1836,
 &end
#
#  122 ARG  HA          122 ARG  HG+         4.50    (#   3083:25  Unique         2.23, 2.94 A)
 &rst
  ixpk= 3083, nxpk= 25, iat=1833,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1838,1839,
 &end
#
#  122 ARG  HN          122 ARG  HG+         3.50    (#   3084:25  Unique         2.31, 2.79 A)
 &rst
  ixpk= 3084, nxpk= 25, iat=1831,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1838,1839,
 &end
#
#  123 VAL  HN          122 ARG  HG+         5.50    (#   3085:25  Unique         4.14, 4.58 A)
 &rst
  ixpk= 3085, nxpk= 25, iat=1855,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1838,1839,
 &end
#
#  122 ARG  HN          122 ARG  HD+         5.50    (#   3086:25  Unique         4.42, 4.74 A)
 &rst
  ixpk= 3086, nxpk= 25, iat=1831,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1841,1842,
 &end
#
#   99 TRP  HE3         122 ARG  HD+         4.50    (#   3087:25  Unique         2.58, 3.63 A)
 &rst
  ixpk= 3087, nxpk= 25, iat=1477,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1841,1842,
 &end
#
#   99 TRP  HZ3         122 ARG  HD+         5.50    (#   3088:25  Unique         3.78, 5.05 A)
 &rst
  ixpk= 3088, nxpk= 25, iat=1475,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1841,1842,
 &end
#
#   99 TRP  HD1         122 ARG  HD+         5.50    (#   3089:25  Unique         3.03, 4.02 A)
 &rst
  ixpk= 3089, nxpk= 25, iat=1466,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1841,1842,
 &end
#
#  122 ARG  HA          122 ARG  HD+         3.50    (#   3091:25  Unique         2.79, 4.05 A)
 &rst
  ixpk= 3091, nxpk= 25, iat=1833,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1841,1842,
 &end
#
#  119 VAL  HA          122 ARG  HD+         5.50    (#   3092:25  Unique         3.58, 4.91 A)
 &rst
  ixpk= 3092, nxpk= 25, iat=1780,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1841,1842,
 &end
#
#  122 ARG  HB+         122 ARG  HD+         3.50    (#   3093:25  Unique         2.24, 2.83 A)
 &rst
  ixpk= 3093, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1835,1836,
 igr2=1841,1842,
 &end
#
#  122 ARG  HG-         122 ARG  HD+         3.50    (#   3094:25  Unique         2.26, 2.75 A)
 &rst
  ixpk= 3094, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1838,1839,
 igr2=1841,1842,
 &end
#
#   99 TRP  HZ2         123 VAL  HA          5.50    (#   3095:25  Unique         3.44, 4.72 A)
 &rst
  ixpk= 3095, nxpk= 25, iat=1471,1857, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  126 LEU  HB+         123 VAL  HA          4.50    (#   3096:25  Unique         2.36, 3.01 A)
 &rst
  ixpk= 3096, nxpk= 25, iat=  -1,1857, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1904,1905,
 &end
#
#  123 VAL  HB          123 VAL  HA          2.80    (#   3097:25  Unique         2.35, 2.87 A)
 &rst
  ixpk= 3097, nxpk= 25, iat=1859,1857, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  126 LEU  HB-         123 VAL  HA          2.80    (#   3098:25  Unique         2.36, 3.01 A)
 &rst
  ixpk= 3098, nxpk= 25, iat=  -1,1857, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1904,1905,
 &end
#
#  123 VAL  MGX         123 VAL  HA          3.50    (#   3100:25  Unique         2.37, 3.21 A)
 &rst
  ixpk= 3100, nxpk= 25, iat=  -1,1857, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1861,1862,1863,1865,1866,1867,
 &end
#
#    0 AMB  25-2:3101   123 VAL  HA          4.50    (#   3101:25  Single Ambig)
 &rst
  ixpk= 3101, nxpk= 25, iat=  -1,1857, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1932,1933,1934, 471, 472, 473,
 &end
#
#  126 LEU  HA          123 VAL  HA          5.50    (#   3102:25  Unique         5.02, 5.31 A)
 &rst
  ixpk= 3102, nxpk= 25, iat=1902,1857, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  126 LEU  HN          123 VAL  HA          3.50    (#   3103:25  Unique         3.08, 3.33 A)
 &rst
  ixpk= 3103, nxpk= 25, iat=1900,1857, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  127 ILE  HN          123 VAL  HA          4.50    (#   3104:25  Unique         3.93, 4.07 A)
 &rst
  ixpk= 3104, nxpk= 25, iat=1919,1857, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  124 GLU  HN          123 VAL  HA          4.50    (#   3105:25  Unique         3.60, 3.63 A)
 &rst
  ixpk= 3105, nxpk= 25, iat=1871,1857, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  122 ARG  HG-         123 VAL  MGX         5.50    (#   3107:25  Unique         4.98, 7.84 A)
 &rst
  ixpk= 3107, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1838,1839,
 igr2=1861,1862,1863,1865,1866,1867,
 &end
#
#  120 LYS  HG-         123 VAL  MGX         5.50    (#   3108:25  Unique         4.02, 6.73 A)
 &rst
  ixpk= 3108, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1801,1802,
 igr2=1861,1862,1863,1865,1866,1867,
 &end
#
#    0 AMB  25-2:3109     0 AMB  25-1:3109   3.50    (#   3109:25  Double Ambig)
 &rst
  ixpk= 3109, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
 igr1=1932,1933,1934, 471, 472, 473,
 igr2=1861,1862,1863,1865,1866,1867, 443, 444,
 &end
#
#   18 ALA  MB          123 VAL  MGX         4.50    (#   3110:25  Unique         2.48, 5.50 A)
 &rst
  ixpk= 3110, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 299, 300, 301,
 igr2=1861,1862,1863,1865,1866,1867,
 &end
#
#  123 VAL  HB          123 VAL  MGX         2.80    (#   3111:25  Unique         2.40, 2.66 A)
 &rst
  ixpk= 3111, nxpk= 25, iat=1859,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1861,1862,1863,1865,1866,1867,
 &end
#
#  119 VAL  HB          123 VAL  MGX         4.50    (#   3112:25  Unique         4.68, 6.63 A)
 &rst
  ixpk= 3112, nxpk= 25, iat=1782,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1861,1862,1863,1865,1866,1867,
 &end
#
#  119 VAL  HA          123 VAL  MGX         4.50    (#   3113:25  Unique         3.59, 6.20 A)
 &rst
  ixpk= 3113, nxpk= 25, iat=1780,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1861,1862,1863,1865,1866,1867,
 &end
#
#   21 PHE  HA          123 VAL  MGX         4.50    (#   3115:25  Unique         4.43, 5.98 A)
 &rst
  ixpk= 3115, nxpk= 25, iat= 329,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1861,1862,1863,1865,1866,1867,
 &end
#
#  125 ASN  HN          123 VAL  MGX         5.50    (#   3116:25  Unique         5.15, 6.38 A)
 &rst
  ixpk= 3116, nxpk= 25, iat=1886,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1861,1862,1863,1865,1866,1867,
 &end
#
#  123 VAL  HN          123 VAL  MGX         2.80    (#   3117:25  Unique         2.00, 3.81 A)
 &rst
  ixpk= 3117, nxpk= 25, iat=1855,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1861,1862,1863,1865,1866,1867,
 &end
#
#   22 ALA  HN          123 VAL  MGX         4.50    (#   3118:25  Unique         2.62, 4.27 A)
 &rst
  ixpk= 3118, nxpk= 25, iat= 347,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1861,1862,1863,1865,1866,1867,
 &end
#
#   22 ALA  HN          123 VAL  MGY         3.50    (#   3119:25  Unique         2.62, 4.27 A)
 &rst
  ixpk= 3119, nxpk= 25, iat= 347,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1861,1862,1863,1865,1866,1867,
 &end
#
#    0 AMB  25-2:3120   123 VAL  MGY         4.50    (#   3120:25  Single Ambig)
 &rst
  ixpk= 3120, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 327,1919,
 igr2=1861,1862,1863,1865,1866,1867,
 &end
#
#    6 PHE  HZ          123 VAL  MGY         4.50    (#   3121:25  Unique         2.27, 4.20 A)
 &rst
  ixpk= 3121, nxpk= 25, iat= 110,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1861,1862,1863,1865,1866,1867,
 &end
#
#   24 THR  HN          123 VAL  MGY         5.50    (#   3122:25  Unique         5.57, 7.34 A)
 &rst
  ixpk= 3122, nxpk= 25, iat= 379,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1861,1862,1863,1865,1866,1867,
 &end
#
#   21 PHE  HD          123 VAL  MGY         4.50    (#   3123:25  Unique         3.06, 5.93 A)
 &rst
  ixpk= 3123, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 335, 343,
 igr2=1861,1862,1863,1865,1866,1867,
 &end
#
#   21 PHE  HA          123 VAL  MGY         4.50    (#   3124:25  Unique         4.43, 5.98 A)
 &rst
  ixpk= 3124, nxpk= 25, iat= 329,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1861,1862,1863,1865,1866,1867,
 &end
#
#   24 THR  HB          123 VAL  MGY         5.50    (#   3125:25  Unique         5.60, 7.37 A)
 &rst
  ixpk= 3125, nxpk= 25, iat= 383,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1861,1862,1863,1865,1866,1867,
 &end
#
#   22 ALA  HA          123 VAL  MGY         2.80    (#   3126:25  Unique         2.39, 4.17 A)
 &rst
  ixpk= 3126, nxpk= 25, iat= 349,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1861,1862,1863,1865,1866,1867,
 &end
#
#  123 VAL  HA          123 VAL  MGY         2.80    (#   3127:25  Unique         2.37, 3.21 A)
 &rst
  ixpk= 3127, nxpk= 25, iat=1857,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1861,1862,1863,1865,1866,1867,
 &end
#
#  120 LYS  HA          123 VAL  MGY         4.50    (#   3130:25  Unique         2.19, 4.78 A)
 &rst
  ixpk= 3130, nxpk= 25, iat=1796,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1861,1862,1863,1865,1866,1867,
 &end
#
#  126 LEU  HB+         123 VAL  MGY         5.50    (#   3131:25  Unique         3.23, 5.62 A)
 &rst
  ixpk= 3131, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1904,1905,
 igr2=1861,1862,1863,1865,1866,1867,
 &end
#
#  123 VAL  HB          123 VAL  MGY         2.80    (#   3132:25  Unique         2.40, 2.66 A)
 &rst
  ixpk= 3132, nxpk= 25, iat=1859,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1861,1862,1863,1865,1866,1867,
 &end
#
#    0 AMB  25-2:3133   123 VAL  MGY         3.50    (#   3133:25  Single Ambig)
 &rst
  ixpk= 3133, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1929,1930,1923,
 igr2=1861,1862,1863,1865,1866,1867,
 &end
#
#    0 AMB  25-2:3134   123 VAL  MGY         4.50    (#   3134:25  Single Ambig)
 &rst
  ixpk= 3134, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=1904,1905, 400,
 igr2=1861,1862,1863,1865,1866,1867,
 &end
#
#    0 AMB  25-2:3135   123 VAL  MGY         2.80    (#   3135:25  Single Ambig)
 &rst
  ixpk= 3135, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
 igr1= 351, 352, 353, 397, 398,
 igr2=1861,1862,1863,1865,1866,1867,
 &end
#
#  127 ILE  HN          124 GLU  HA          3.50    (#   3137:25  Unique         3.24, 3.45 A)
 &rst
  ixpk= 3137, nxpk= 25, iat=1919,1873, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  128 ALA  HN          124 GLU  HA          4.50    (#   3138:25  Unique         3.65, 3.74 A)
 &rst
  ixpk= 3138, nxpk= 25, iat=1938,1873, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  125 ASN  HA          124 GLU  HA          5.50    (#   3139:25  Unique         4.62, 4.64 A)
 &rst
  ixpk= 3139, nxpk= 25, iat=1888,1873, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  124 GLU  HG+         124 GLU  HA          2.80    (#   3141:25  Unique         2.32, 2.73 A)
 &rst
  ixpk= 3141, nxpk= 25, iat=  -1,1873, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1878,1879,
 &end
#
#    0 AMB  25-2:3142   124 GLU  HA          2.80    (#   3142:25  Single Ambig)
 &rst
  ixpk= 3142, nxpk= 25, iat=  -1,1873, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1878,1879,1875,1876,
 &end
#
#    0 AMB  25-2:3143   124 GLU  HA          2.80    (#   3143:25  Single Ambig)
 &rst
  ixpk= 3143, nxpk= 25, iat=  -1,1873, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1923,1875,1876,
 &end
#
#   25 LEU  HB-         124 GLU  HA          4.50    (#   3144:25  Unique         3.64, 4.35 A)
 &rst
  ixpk= 3144, nxpk= 25, iat=  -1,1873, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 397, 398,
 &end
#
#   25 LEU  HB+         124 GLU  HA          4.50    (#   3145:25  Unique         3.64, 4.35 A)
 &rst
  ixpk= 3145, nxpk= 25, iat=  -1,1873, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 397, 398,
 &end
#
#    0 AMB  25-2:3146   124 GLU  HA          2.80    (#   3146:25  Single Ambig)
 &rst
  ixpk= 3146, nxpk= 25, iat=  -1,1873, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 402, 403, 404, 406, 407, 408,1861,1862,1863,1865,
      1866,1867,
 &end
#
#  127 ILE  QD1         124 GLU  HA          2.80    (#   3147:25  Unique         2.86, 3.95 A)
 &rst
  ixpk= 3147, nxpk= 25, iat=  -1,1873, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1932,1933,1934,
 &end
#
#   95 ILE  HG1-         77 ILE  HA          5.50    (#   3149:25  Unique         5.42, 6.35 A)
 &rst
  ixpk= 3149, nxpk= 25, iat=  -1,1132, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1402,1403,
 &end
#
#    0 AMB  25-2:3150   125 ASN  HB-         5.50    (#   3150:25  Single Ambig)
 &rst
  ixpk= 3150, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1942,1943,1944,1907,
 igr2=1890,1891,
 &end
#
#    0 AMB  25-2:3151     0 AMB  25-1:3151   5.50    (#   3151:25  Double Ambig)
 &rst
  ixpk= 3151, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1=1942,1943,1944,1907,
 igr2=1890,1891,1890,1891,
 &end
#
#  122 ARG  HG+         125 ASN  HB+         5.50    (#   3155:25  Unique         4.49, 5.92 A)
 &rst
  ixpk= 3155, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1838,1839,
 igr2=1890,1891,
 &end
#
#  129 LYS  HD+         125 ASN  HB-         5.50    (#   3156:25  Unique         4.09, 6.48 A)
 &rst
  ixpk= 3156, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1958,1959,
 igr2=1890,1891,
 &end
#
#    0 AMB  25-2:3157   125 ASN  HB-         5.50    (#   3157:25  Single Ambig)
 &rst
  ixpk= 3157, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1875,1876,1820,1821,
 igr2=1890,1891,
 &end
#
#  121 GLU  HG+         125 ASN  HB-         5.50    (#   3158:25  Unique         3.83, 5.04 A)
 &rst
  ixpk= 3158, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1823,1824,
 igr2=1890,1891,
 &end
#
#    0 AMB  25-2:3159   125 ASN  HB-         5.50    (#   3159:25  Single Ambig)
 &rst
  ixpk= 3159, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1875,1876,1841,1842,
 igr2=1890,1891,
 &end
#
#    0 AMB  25-2:3160     0 AMB  25-1:3160   4.50    (#   3160:25  Double Ambig)
 &rst
  ixpk= 3160, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1=1875,1876,1841,1842,
 igr2=1890,1891,1890,1891,
 &end
#
#    0 AMB  25-2:3161     0 AMB  25-1:3161   4.50    (#   3161:25  Double Ambig)
 &rst
  ixpk= 3161, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1=1875,1876,1820,1821,
 igr2=1890,1891,1890,1891,
 &end
#
#  122 ARG  HA          125 ASN  HB-         3.50    (#   3162:25  Unique         2.62, 3.24 A)
 &rst
  ixpk= 3162, nxpk= 25, iat=1833,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1890,1891,
 &end
#
#  122 ARG  HA          125 ASN  HB+         3.50    (#   3163:25  Unique         2.62, 3.24 A)
 &rst
  ixpk= 3163, nxpk= 25, iat=1833,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1890,1891,
 &end
#
#  124 GLU  HA          125 ASN  HB+         5.50    (#   3164:25  Unique         5.62, 5.85 A)
 &rst
  ixpk= 3164, nxpk= 25, iat=1873,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1890,1891,
 &end
#
#  125 ASN  HD2-        125 ASN  HB-         4.50    (#   3165:25  Unique         2.29, 3.41 A)
 &rst
  ixpk= 3165, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1895,1896,
 igr2=1890,1891,
 &end
#
#  125 ASN  HD2-        125 ASN  HB+         5.50    (#   3166:25  Unique         2.29, 3.41 A)
 &rst
  ixpk= 3166, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1895,1896,
 igr2=1890,1891,
 &end
#
#  124 GLU  HN          125 ASN  HB-         5.50    (#   3167:25  Unique         4.62, 5.13 A)
 &rst
  ixpk= 3167, nxpk= 25, iat=1871,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1890,1891,
 &end
#
#  124 GLU  HN          125 ASN  HB+         5.50    (#   3168:25  Unique         4.62, 5.13 A)
 &rst
  ixpk= 3168, nxpk= 25, iat=1871,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1890,1891,
 &end
#
#  127 ILE  HN          126 LEU  HA          5.50    (#   3169:25  Unique         3.61, 3.63 A)
 &rst
  ixpk= 3169, nxpk= 25, iat=1919,1902, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   99 TRP  HZ2         126 LEU  HA          4.50    (#   3170:25  Unique         3.85, 4.35 A)
 &rst
  ixpk= 3170, nxpk= 25, iat=1471,1902, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  129 LYS  HE+         126 LEU  HA          4.50    (#   3171:25  Unique         2.06, 4.37 A)
 &rst
  ixpk= 3171, nxpk= 25, iat=  -1,1902, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1961,1962,
 &end
#
#  125 ASN  HB+         126 LEU  HA          5.50    (#   3172:25  Unique         4.32, 5.13 A)
 &rst
  ixpk= 3172, nxpk= 25, iat=  -1,1902, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1890,1891,
 &end
#
#  126 LEU  HB+         126 LEU  HA          3.50    (#   3173:25  Unique         2.36, 2.72 A)
 &rst
  ixpk= 3173, nxpk= 25, iat=  -1,1902, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1904,1905,
 &end
#
#    0 AMB  25-2:3174   126 LEU  HA          2.80    (#   3174:25  Single Ambig)
 &rst
  ixpk= 3174, nxpk= 25, iat=  -1,1902, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1904,1905,1952,1953,1952,1953,
 &end
#
#  129 LYS  HD+         126 LEU  HA          4.50    (#   3175:25  Unique         2.26, 3.30 A)
 &rst
  ixpk= 3175, nxpk= 25, iat=  -1,1902, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1958,1959,
 &end
#
#    0 AMB  25-2:3176   126 LEU  HA          3.50    (#   3176:25  Single Ambig)
 &rst
  ixpk= 3176, nxpk= 25, iat=  -1,1902, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1955,1956,1907,
 &end
#
#    0 AMB  25-2:3177     0 AMB  25-1:3177   2.80    (#   3177:25  Double Ambig)
 &rst
  ixpk= 3177, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
 igr1=1909,1910,1911,1913,1914,1915,1909,1910,1911,1913,
      1914,1915,
 igr2=1904,1905,1904,1905,
 &end
#
#  126 LEU  HG          126 LEU  HB-         3.50    (#   3178:25  Unique         2.19, 2.61 A)
 &rst
  ixpk= 3178, nxpk= 25, iat=1907,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1904,1905,
 &end
#
#    0 AMB  25-2:3179     0 AMB  25-1:3179   5.50    (#   3179:25  Double Ambig)
 &rst
  ixpk= 3179, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1=1976,1977,1978,1925,1926,1927,
 igr2=1904,1905,1904,1905,
 &end
#
#    0 AMB  25-2:3180     0 AMB  25-1:3180   5.50    (#   3180:25  Double Ambig)
 &rst
  ixpk= 3180, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.80, r4=10.55,
 igr1=1140,1141,1104,1105,1106,1108,1109,1110,
 igr2=1904,1905,1904,1905,
 &end
#
#    0 AMB  25-2:3181   126 LEU  HB-         5.50    (#   3181:25  Single Ambig)
 &rst
  ixpk= 3181, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=1983,1984,1985,  71,  72,  73,  75,  76,  77,
 igr2=1904,1905,
 &end
#
#  123 VAL  HA          126 LEU  HB-         5.50    (#   3183:25  Unique         2.36, 3.01 A)
 &rst
  ixpk= 3183, nxpk= 25, iat=1857,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1904,1905,
 &end
#
#  126 LEU  HA          126 LEU  HB-         3.50    (#   3184:25  Unique         2.36, 2.72 A)
 &rst
  ixpk= 3184, nxpk= 25, iat=1902,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1904,1905,
 &end
#
#   99 TRP  HH2         126 LEU  HB-         5.50    (#   3185:25  Unique         2.21, 3.68 A)
 &rst
  ixpk= 3185, nxpk= 25, iat=1473,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1904,1905,
 &end
#
#   99 TRP  HZ2         126 LEU  HB+         4.50    (#   3186:25  Unique         2.13, 3.52 A)
 &rst
  ixpk= 3186, nxpk= 25, iat=1471,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1904,1905,
 &end
#
#   99 TRP  HZ2         126 LEU  HB-         4.50    (#   3187:25  Unique         2.13, 3.52 A)
 &rst
  ixpk= 3187, nxpk= 25, iat=1471,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1904,1905,
 &end
#
#  126 LEU  HN          126 LEU  HB-         3.50    (#   3188:25  Unique         2.15, 2.41 A)
 &rst
  ixpk= 3188, nxpk= 25, iat=1900,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1904,1905,
 &end
#
#  127 ILE  HN          126 LEU  HB-         4.50    (#   3189:25  Unique         2.21, 3.25 A)
 &rst
  ixpk= 3189, nxpk= 25, iat=1919,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1904,1905,
 &end
#
#  126 LEU  HA          126 LEU  HG          3.50    (#   3190:25  Unique         2.89, 3.43 A)
 &rst
  ixpk= 3190, nxpk= 25, iat=1902,1907, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  126 LEU  HB+         126 LEU  HG          3.50    (#   3191:25  Unique         2.19, 2.61 A)
 &rst
  ixpk= 3191, nxpk= 25, iat=  -1,1907, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1904,1905,
 &end
#
#    0 AMB  25-2:3192   126 LEU  HG          2.80    (#   3192:25  Single Ambig)
 &rst
  ixpk= 3192, nxpk= 25, iat=  -1,1907, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1909,1910,1911,1913,1914,1915,1909,1910,1911,1913,
      1914,1915,
 &end
#
#    0 AMB  25-2:3193   126 LEU  MDX         2.80    (#   3193:25  Single Ambig)
 &rst
  ixpk= 3193, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=1904,1905,1438,1439,1952,1953,
 igr2=1909,1910,1911,1913,1914,1915,
 &end
#
#    0 AMB  25-2:3194   126 LEU  MDX         2.80    (#   3194:25  Single Ambig)
 &rst
  ixpk= 3194, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1907,1955,1956,
 igr2=1909,1910,1911,1913,1914,1915,
 &end
#
#   77 ILE  QD1         126 LEU  MDX         3.50    (#   3195:25  Unique         2.16, 3.99 A)
 &rst
  ixpk= 3195, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1143,1144,1145,
 igr2=1909,1910,1911,1913,1914,1915,
 &end
#
#    4 VAL  MGX         126 LEU  MDY         3.50    (#   3196:25  Unique         2.67, 5.86 A)
 &rst
  ixpk= 3196, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=  71,  72,  73,  75,  76,  77,
 igr2=1909,1910,1911,1913,1914,1915,
 &end
#
#   77 ILE  QD1         126 LEU  MDY         3.50    (#   3197:25  Unique         2.16, 3.99 A)
 &rst
  ixpk= 3197, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1143,1144,1145,
 igr2=1909,1910,1911,1913,1914,1915,
 &end
#
#   77 ILE  HG1+        126 LEU  MDY         4.50    (#   3198:25  Unique         2.32, 4.38 A)
 &rst
  ixpk= 3198, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1140,1141,
 igr2=1909,1910,1911,1913,1914,1915,
 &end
#
#    0 AMB  25-2:3199   126 LEU  MDY         2.80    (#   3199:25  Single Ambig)
 &rst
  ixpk= 3199, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
 igr1=1104,1105,1106,1108,1109,1110,1140,1141,
 igr2=1909,1910,1911,1913,1914,1915,
 &end
#
#    0 AMB  25-2:3200   126 LEU  MDY         3.50    (#   3200:25  Single Ambig)
 &rst
  ixpk= 3200, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1907,1955,1956,
 igr2=1909,1910,1911,1913,1914,1915,
 &end
#
#    0 AMB  25-2:3201   126 LEU  MDY         3.50    (#   3201:25  Single Ambig)
 &rst
  ixpk= 3201, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1904,1905,1438,1439,1952,1953,
 igr2=1909,1910,1911,1913,1914,1915,
 &end
#
#  126 LEU  HB+         126 LEU  MDY         3.50    (#   3202:25  Unique         2.28, 3.39 A)
 &rst
  ixpk= 3202, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1904,1905,
 igr2=1909,1910,1911,1913,1914,1915,
 &end
#
#  127 ILE  HA          126 LEU  MDY         5.50    (#   3204:25  Unique         2.84, 5.13 A)
 &rst
  ixpk= 3204, nxpk= 25, iat=1921,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1909,1910,1911,1913,1914,1915,
 &end
#
#  126 LEU  HA          126 LEU  MDY         4.50    (#   3205:25  Unique         2.27, 3.84 A)
 &rst
  ixpk= 3205, nxpk= 25, iat=1902,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1909,1910,1911,1913,1914,1915,
 &end
#
#   99 TRP  HZ2         126 LEU  MDY         4.50    (#   3207:25  Unique         3.22, 5.26 A)
 &rst
  ixpk= 3207, nxpk= 25, iat=1471,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1909,1910,1911,1913,1914,1915,
 &end
#
#  126 LEU  HN          126 LEU  MDY         5.50    (#   3208:25  Unique         4.48, 5.11 A)
 &rst
  ixpk= 3208, nxpk= 25, iat=1900,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1909,1910,1911,1913,1914,1915,
 &end
#
#  127 ILE  HN          126 LEU  MDY         5.50    (#   3209:25  Unique         3.35, 4.86 A)
 &rst
  ixpk= 3209, nxpk= 25, iat=1919,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1909,1910,1911,1913,1914,1915,
 &end
#
#  127 ILE  HN          127 ILE  HG1-        4.50    (#   3210:25  Unique         2.13, 2.87 A)
 &rst
  ixpk= 3210, nxpk= 25, iat=1919,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1929,1930,
 &end
#
#   26 GLY  HA-         127 ILE  HG1-        5.50    (#   3211:25  Unique         3.57, 4.68 A)
 &rst
  ixpk= 3211, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 414, 415,
 igr2=1929,1930,
 &end
#
#  127 ILE  HA          127 ILE  HG1-        3.50    (#   3212:25  Unique         2.35, 2.63 A)
 &rst
  ixpk= 3212, nxpk= 25, iat=1921,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1929,1930,
 &end
#
#  127 ILE  HA          127 ILE  HG1+        3.50    (#   3213:25  Unique         2.35, 2.63 A)
 &rst
  ixpk= 3213, nxpk= 25, iat=1921,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1929,1930,
 &end
#
#    0 AMB  25-2:3216   127 ILE  HG1-        2.80    (#   3216:25  Single Ambig)
 &rst
  ixpk= 3216, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 471, 472, 473,1932,1933,1934,
 igr2=1929,1930,
 &end
#
#  127 ILE  HN          127 ILE  QD1         4.50    (#   3217:25  Unique         3.53, 4.21 A)
 &rst
  ixpk= 3217, nxpk= 25, iat=1919,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1932,1933,1934,
 &end
#
#   25 LEU  HN          127 ILE  QD1         5.50    (#   3218:25  Unique         4.22, 4.53 A)
 &rst
  ixpk= 3218, nxpk= 25, iat= 393,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1932,1933,1934,
 &end
#
#   22 ALA  HA          127 ILE  QD1         3.50    (#   3219:25  Unique         2.06, 3.15 A)
 &rst
  ixpk= 3219, nxpk= 25, iat= 349,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1932,1933,1934,
 &end
#
#  124 GLU  HA          127 ILE  QD1         2.80    (#   3220:25  Unique         2.86, 3.95 A)
 &rst
  ixpk= 3220, nxpk= 25, iat=1873,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1932,1933,1934,
 &end
#
#  127 ILE  HA          127 ILE  QD1         4.50    (#   3221:25  Unique         4.36, 4.57 A)
 &rst
  ixpk= 3221, nxpk= 25, iat=1921,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1932,1933,1934,
 &end
#
#   21 PHE  HB-         127 ILE  QD1         5.50    (#   3223:25  Unique         4.89, 6.06 A)
 &rst
  ixpk= 3223, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 331, 332,
 igr2=1932,1933,1934,
 &end
#
#    0 AMB  25-2:3224   127 ILE  QD1         4.50    (#   3224:25  Single Ambig)
 &rst
  ixpk= 3224, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1=1904,1905, 400,
 igr2=1932,1933,1934,
 &end
#
#    0 AMB  25-2:3225   127 ILE  QD1         2.80    (#   3225:25  Single Ambig)
 &rst
  ixpk= 3225, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1=1929,1930,1923,
 igr2=1932,1933,1934,
 &end
#
#    0 AMB  25-2:3226   127 ILE  QD1         2.80    (#   3226:25  Single Ambig)
 &rst
  ixpk= 3226, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15,
 igr1= 397, 398, 351, 352, 353,
 igr2=1932,1933,1934,
 &end
#
#  123 VAL  MGX         127 ILE  QD1         3.50    (#   3227:25  Unique         2.36, 5.05 A)
 &rst
  ixpk= 3227, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1861,1862,1863,1865,1866,1867,
 igr2=1932,1933,1934,
 &end
#
#  127 ILE  HN          128 ALA  HA          5.50    (#   3230:25  Unique         5.26, 5.30 A)
 &rst
  ixpk= 3230, nxpk= 25, iat=1919,1940, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  127 ILE  HA          128 ALA  HA          5.50    (#   3232:25  Unique         4.79, 4.82 A)
 &rst
  ixpk= 3232, nxpk= 25, iat=1921,1940, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  25-2:3233   128 ALA  HA          4.50    (#   3233:25  Single Ambig)
 &rst
  ixpk= 3233, nxpk= 25, iat=  -1,1940, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1923,1875,1876,
 &end
#
#  128 ALA  MB          128 ALA  HA          2.80    (#   3234:25  Unique         2.45, 2.66 A)
 &rst
  ixpk= 3234, nxpk= 25, iat=  -1,1940, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1942,1943,1944,
 &end
#
#  127 ILE  HN          128 ALA  MB          4.50    (#   3235:25  Unique         4.84, 5.40 A)
 &rst
  ixpk= 3235, nxpk= 25, iat=1919,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1942,1943,1944,
 &end
#
#  126 LEU  HN          128 ALA  MB          5.50    (#   3236:25  Unique         5.15, 6.09 A)
 &rst
  ixpk= 3236, nxpk= 25, iat=1900,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1942,1943,1944,
 &end
#
#  127 ILE  HA          128 ALA  MB          5.50    (#   3238:25  Unique         5.86, 6.16 A)
 &rst
  ixpk= 3238, nxpk= 25, iat=1921,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1942,1943,1944,
 &end
#
#  129 LYS  HE+         128 ALA  MB          5.50    (#   3239:25  Unique         4.96, 7.22 A)
 &rst
  ixpk= 3239, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1961,1962,
 igr2=1942,1943,1944,
 &end
#
#  125 ASN  HB-         128 ALA  MB          5.50    (#   3240:25  Unique         4.55, 6.09 A)
 &rst
  ixpk= 3240, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1890,1891,
 igr2=1942,1943,1944,
 &end
#
#    0 AMB  25-2:3241   128 ALA  MB          3.50    (#   3241:25  Single Ambig)
 &rst
  ixpk= 3241, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1875,1876,1923,
 igr2=1942,1943,1944,
 &end
#
#  127 ILE  QG2         128 ALA  MB          4.50    (#   3242:25  Unique         4.36, 6.14 A)
 &rst
  ixpk= 3242, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1=1925,1926,1927,
 igr2=1942,1943,1944,
 &end
#
#  129 LYS  HG+         129 LYS  HA          3.50    (#   3243:25  Unique         2.47, 3.28 A)
 &rst
  ixpk= 3243, nxpk= 25, iat=  -1,1950, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1955,1956,
 &end
#
#  129 LYS  HD+         129 LYS  HA          5.50    (#   3244:25  Unique         4.31, 4.85 A)
 &rst
  ixpk= 3244, nxpk= 25, iat=  -1,1950, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1958,1959,
 &end
#
#    0 AMB  25-2:3245   129 LYS  HA          2.80    (#   3245:25  Single Ambig)
 &rst
  ixpk= 3245, nxpk= 25, iat=  -1,1950, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1952,1953,1952,1953,
 &end
#
#  130 ILE  HN          129 LYS  HA          4.50    (#   3246:25  Unique         3.57, 3.61 A)
 &rst
  ixpk= 3246, nxpk= 25, iat=1970,1950, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:3248     0 AMB  25-1:3248   3.50    (#   3248:25  Double Ambig)
 &rst
  ixpk= 3248, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1=1961,1962,1961,1962,
 igr2=1952,1953,1952,1953,
 &end
#
#  129 LYS  HG+         129 LYS  HB+         2.80    (#   3249:25  Unique         2.27, 2.76 A)
 &rst
  ixpk= 3249, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1955,1956,
 igr2=1952,1953,
 &end
#
#    0 AMB  25-2:3250     0 AMB  25-1:3250   3.50    (#   3250:25  Double Ambig)
 &rst
  ixpk= 3250, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
 igr1=1909,1910,1911,1913,1914,1915,1909,1910,1911,1913,
      1914,1915,
 igr2=1955,1956,1955,1956,
 &end
#
#    0 AMB  25-2:3251     0 AMB  25-1:3251   3.50    (#   3251:25  Double Ambig)
 &rst
  ixpk= 3251, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1=1976,1977,1978,1405,1406,1407,
 igr2=1955,1956,1955,1956,
 &end
#
#    0 AMB  25-2:3252     0 AMB  25-1:3252   2.80    (#   3252:25  Double Ambig)
 &rst
  ixpk= 3252, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1952,1953,1952,1953,
 igr2=1955,1956,1955,1956,
 &end
#
#  129 LYS  HN          129 LYS  HG+         3.50    (#   3253:25  Unique         2.18, 3.29 A)
 &rst
  ixpk= 3253, nxpk= 25, iat=1948,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1955,1956,
 &end
#
#    0 AMB  25-2:3254     0 AMB  25-1:3254   4.50    (#   3254:25  Double Ambig)
 &rst
  ixpk= 3254, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1948, 412,
 igr2=1958,1959, 446, 447,
 &end
#
#  126 LEU  HA          129 LYS  HD+         2.80    (#   3255:25  Unique         2.26, 3.30 A)
 &rst
  ixpk= 3255, nxpk= 25, iat=1902,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1958,1959,
 &end
#
#    0 AMB  25-2:3256     0 AMB  25-1:3256   4.50    (#   3256:25  Double Ambig)
 &rst
  ixpk= 3256, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1=1993,1994, 322, 323,
 igr2= 446, 447, 367, 368,
 &end
#
#   55 ILE  QD1          23 LYS  HE+         5.50    (#   3258:25  Unique         4.94, 6.91 A)
 &rst
  ixpk= 3258, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 826, 827, 828,
 igr2= 370, 371,
 &end
#
#  120 LYS  HG-         120 LYS  HE+         3.50    (#   3259:25  Unique         2.43, 3.02 A)
 &rst
  ixpk= 3259, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1801,1802,
 igr2=1807,1808,
 &end
#
#  120 LYS  HG-         120 LYS  HE-         3.50    (#   3260:25  Unique         2.43, 3.02 A)
 &rst
  ixpk= 3260, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1801,1802,
 igr2=1807,1808,
 &end
#
#    2 LYS  HE+         130 ILE  HA          5.50    (#   3261:25  Unique         3.75, 4.89 A)
 &rst
  ixpk= 3261, nxpk= 25, iat=  -1,1972, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  34,  35,
 &end
#
#  130 ILE  HB          130 ILE  HA          2.80    (#   3262:25  Unique         2.32, 2.37 A)
 &rst
  ixpk= 3262, nxpk= 25, iat=1974,1972, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    2 LYS  HD-         130 ILE  HA          4.50    (#   3263:25  Unique         4.16, 4.63 A)
 &rst
  ixpk= 3263, nxpk= 25, iat=  -1,1972, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=  31,  32,
 &end
#
#  130 ILE  HG1+        130 ILE  HA          4.50    (#   3264:25  Unique         3.71, 3.74 A)
 &rst
  ixpk= 3264, nxpk= 25, iat=  -1,1972, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1980,1981,
 &end
#
#  130 ILE  HG1+        130 ILE  HB          2.80    (#   3266:25  Unique         2.36, 2.71 A)
 &rst
  ixpk= 3266, nxpk= 25, iat=  -1,1974, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1980,1981,
 &end
#
#    0 AMB  25-2:3267   130 ILE  HB          2.80    (#   3267:25  Single Ambig)
 &rst
  ixpk= 3267, nxpk= 25, iat=  -1,1974, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=  31,  32,1980,1981,
 &end
#
#    2 LYS  HE+         130 ILE  HB          5.50    (#   3269:25  Unique         2.61, 3.71 A)
 &rst
  ixpk= 3269, nxpk= 25, iat=  -1,1974, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  34,  35,
 &end
#
#  127 ILE  HA          130 ILE  HB          5.50    (#   3270:25  Unique         4.97, 5.07 A)
 &rst
  ixpk= 3270, nxpk= 25, iat=1921,1974, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  130 ILE  HN          130 ILE  HB          3.50    (#   3271:25  Unique         3.59, 3.61 A)
 &rst
  ixpk= 3271, nxpk= 25, iat=1970,1974, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  130 ILE  HA          130 ILE  HG1-        5.50    (#   3272:25  Unique         3.71, 3.74 A)
 &rst
  ixpk= 3272, nxpk= 25, iat=1972,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1980,1981,
 &end
#
#  130 ILE  HA          130 ILE  HG1+        4.50    (#   3273:25  Unique         3.71, 3.74 A)
 &rst
  ixpk= 3273, nxpk= 25, iat=1972,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1980,1981,
 &end
#
#  127 ILE  HA          130 ILE  HG1-        3.50    (#   3274:25  Unique         2.10, 2.65 A)
 &rst
  ixpk= 3274, nxpk= 25, iat=1921,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1980,1981,
 &end
#
#  127 ILE  HA          130 ILE  HG1+        4.50    (#   3275:25  Unique         2.10, 2.65 A)
 &rst
  ixpk= 3275, nxpk= 25, iat=1921,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1980,1981,
 &end
#
#  130 ILE  HB          130 ILE  HG1+        2.80    (#   3277:25  Unique         2.36, 2.71 A)
 &rst
  ixpk= 3277, nxpk= 25, iat=1974,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1980,1981,
 &end
#
#  130 ILE  HB          130 ILE  HG1-        3.50    (#   3278:25  Unique         2.36, 2.71 A)
 &rst
  ixpk= 3278, nxpk= 25, iat=1974,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1980,1981,
 &end
#
#    0 AMB  25-2:3279   130 ILE  HG1-        4.50    (#   3279:25  Single Ambig)
 &rst
  ixpk= 3279, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1=1909,1910,1911,1913,1914,1915,1909,1910,1911,1913,
      1914,1915,
 igr2=1980,1981,
 &end
#
#    0 AMB  25-2:3280   130 ILE  HG1-        2.80    (#   3280:25  Single Ambig)
 &rst
  ixpk= 3280, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1976,1977,1978, 464, 465, 466,
 igr2=1980,1981,
 &end
#
#  130 ILE  QD1         130 ILE  HG1-        2.80    (#   3281:25  Unique         2.38, 2.64 A)
 &rst
  ixpk= 3281, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1983,1984,1985,
 igr2=1980,1981,
 &end
#
#  130 ILE  QD1         130 ILE  HG1+        2.80    (#   3282:25  Unique         2.38, 2.64 A)
 &rst
  ixpk= 3282, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1983,1984,1985,
 igr2=1980,1981,
 &end
#
#    0 AMB  25-2:3283     0 AMB  25-1:3283   4.50    (#   3283:25  Double Ambig)
 &rst
  ixpk= 3283, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.18, r4= 9.93,
 igr1= 464, 465, 466,1976,1977,1978, 493, 494, 495, 497,
       498, 499,
 igr2= 468, 469,1980,1981,1980,1981,
 &end
#
#    4 VAL  MGX         130 ILE  QD1         4.50    (#   3284:25  Unique         3.07, 4.98 A)
 &rst
  ixpk= 3284, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=  71,  72,  73,  75,  76,  77,
 igr2=1983,1984,1985,
 &end
#
#    0 AMB  25-2:3285   130 ILE  QD1         2.80    (#   3285:25  Single Ambig)
 &rst
  ixpk= 3285, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=1909,1910,1911,1913,1914,1915,1909,1910,1911,1913,
      1914,1915,
 igr2=1983,1984,1985,
 &end
#
#  130 ILE  HG1+        130 ILE  QD1         2.80    (#   3286:25  Unique         2.38, 2.64 A)
 &rst
  ixpk= 3286, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1980,1981,
 igr2=1983,1984,1985,
 &end
#
#    0 AMB  25-2:3287   130 ILE  QD1         2.80    (#   3287:25  Single Ambig)
 &rst
  ixpk= 3287, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15,
 igr1=  31,  32,1980,1981,1907,
 igr2=1983,1984,1985,
 &end
#
#    2 LYS  HB+         130 ILE  QD1         2.80    (#   3288:25  Unique         3.01, 4.43 A)
 &rst
  ixpk= 3288, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=  25,  26,
 igr2=1983,1984,1985,
 &end
#
#  130 ILE  HB          130 ILE  QD1         2.80    (#   3289:25  Unique         2.61, 3.26 A)
 &rst
  ixpk= 3289, nxpk= 25, iat=1974,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1983,1984,1985,
 &end
#
#  126 LEU  HB+         130 ILE  QD1         5.50    (#   3291:25  Unique         5.09, 6.28 A)
 &rst
  ixpk= 3291, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1904,1905,
 igr2=1983,1984,1985,
 &end
#
#   74 ASP  HB-         130 ILE  QD1         5.50    (#   3292:25  Unique         4.15, 6.73 A)
 &rst
  ixpk= 3292, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1090,1091,
 igr2=1983,1984,1985,
 &end
#
#    2 LYS  HE+         130 ILE  QD1         4.50    (#   3293:25  Unique         4.03, 5.23 A)
 &rst
  ixpk= 3293, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=  34,  35,
 igr2=1983,1984,1985,
 &end
#
#  127 ILE  HA          130 ILE  QD1         3.50    (#   3295:25  Unique         2.67, 3.56 A)
 &rst
  ixpk= 3295, nxpk= 25, iat=1921,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1983,1984,1985,
 &end
#
#    0 AMB  25-2:3296   130 ILE  QD1         5.50    (#   3296:25  Single Ambig)
 &rst
  ixpk= 3296, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1991,  23,
 igr2=1983,1984,1985,
 &end
#
#    0 AMB  25-2:3297   130 ILE  QD1         4.50    (#   3297:25  Single Ambig)
 &rst
  ixpk= 3297, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1972,1100,
 igr2=1983,1984,1985,
 &end
#
#    4 VAL  HA          130 ILE  QD1         5.50    (#   3298:25  Unique         5.55, 6.16 A)
 &rst
  ixpk= 3298, nxpk= 25, iat=  67,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1983,1984,1985,
 &end
#
#  130 ILE  HN          130 ILE  QD1         4.50    (#   3299:25  Unique         3.91, 4.40 A)
 &rst
  ixpk= 3299, nxpk= 25, iat=1970,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1983,1984,1985,
 &end
#
#    0 AMB  25-2:3300   130 ILE  QD1         5.50    (#   3300:25  Single Ambig)
 &rst
  ixpk= 3300, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 110,1948,
 igr2=1983,1984,1985,
 &end
#
#    0 AMB  25-2:3301   130 ILE  QD1         5.50    (#   3301:25  Single Ambig)
 &rst
  ixpk= 3301, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=  21,1114,
 igr2=1983,1984,1985,
 &end
#
#  131 SER  HB+         131 SER  HA          2.80    (#   3306:25  Unique         2.42, 2.74 A)
 &rst
  ixpk= 3306, nxpk= 25, iat=  -1,1991, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1993,1994,
 &end
#
#  131 SER  HB-         131 SER  HA          2.80    (#   3307:25  Unique         2.42, 2.74 A)
 &rst
  ixpk= 3307, nxpk= 25, iat=  -1,1991, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1993,1994,
 &end
#
#    2 LYS  HE+         131 SER  HA          5.50    (#   3308:25  Unique         2.01, 2.59 A)
 &rst
  ixpk= 3308, nxpk= 25, iat=  -1,1991, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  34,  35,
 &end
#
#  130 ILE  HB          131 SER  HA          4.50    (#   3309:25  Unique         4.47, 4.53 A)
 &rst
  ixpk= 3309, nxpk= 25, iat=1974,1991, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   29 LYS  HB+         131 SER  HA          4.50    (#   3310:25  Unique         4.67, 5.38 A)
 &rst
  ixpk= 3310, nxpk= 25, iat=  -1,1991, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 440, 441,
 &end
#
#    0 AMB  25-2:3311   131 SER  HA          5.50    (#   3311:25  Single Ambig)
 &rst
  ixpk= 3311, nxpk= 25, iat=  -1,1991, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 446, 447, 440, 441,
 &end
#
#    0 AMB  25-2:3312   131 SER  HA          5.50    (#   3312:25  Single Ambig)
 &rst
  ixpk= 3312, nxpk= 25, iat=  -1,1991, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1980,1981,  31,  32,
 &end
#
#  130 ILE  HG1+        131 SER  HA          5.50    (#   3313:25  Unique         3.42, 4.25 A)
 &rst
  ixpk= 3313, nxpk= 25, iat=  -1,1991, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1980,1981,
 &end
#
#    0 AMB  25-2:3314   131 SER  HA          4.50    (#   3314:25  Single Ambig)
 &rst
  ixpk= 3314, nxpk= 25, iat=  -1,1991, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 464, 465, 466,1925,1926,1927,
 &end
#
#  130 ILE  QD1         131 SER  HA          5.50    (#   3315:25  Unique         5.61, 6.11 A)
 &rst
  ixpk= 3315, nxpk= 25, iat=  -1,1991, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1983,1984,1985,
 &end
#
#  130 ILE  QD1         131 SER  HB+         5.50    (#   3316:25  Unique         4.62, 6.13 A)
 &rst
  ixpk= 3316, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1983,1984,1985,
 igr2=1993,1994,
 &end
#
#    0 AMB  25-2:3317     0 AMB  25-1:3317   3.50    (#   3317:25  Double Ambig)
 &rst
  ixpk= 3317, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 446, 447, 440, 441,
 igr2=1993,1994,1993,1994,
 &end
#
#    0 AMB  25-2:3318   131 SER  HB-         3.50    (#   3318:25  Single Ambig)
 &rst
  ixpk= 3318, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 446, 447, 440, 441,
 igr2=1993,1994,
 &end
#
#  130 ILE  HG1+        131 SER  HB-         4.50    (#   3319:25  Unique         3.00, 4.32 A)
 &rst
  ixpk= 3319, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1980,1981,
 igr2=1993,1994,
 &end
#
#    2 LYS  HD-         131 SER  HB-         5.50    (#   3320:25  Unique         4.96, 5.87 A)
 &rst
  ixpk= 3320, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=  31,  32,
 igr2=1993,1994,
 &end
#
#   29 LYS  HB+         131 SER  HB+         3.50    (#   3321:25  Unique         2.73, 4.24 A)
 &rst
  ixpk= 3321, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 440, 441,
 igr2=1993,1994,
 &end
#
#   29 LYS  HB+         131 SER  HB-         3.50    (#   3322:25  Unique         2.73, 4.24 A)
 &rst
  ixpk= 3322, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 440, 441,
 igr2=1993,1994,
 &end
#
#   29 LYS  HE+         131 SER  HB+         5.50    (#   3323:25  Unique         2.79, 4.87 A)
 &rst
  ixpk= 3323, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 449, 450,
 igr2=1993,1994,
 &end
#
#  131 SER  HA          131 SER  HB+         2.80    (#   3324:25  Unique         2.42, 2.74 A)
 &rst
  ixpk= 3324, nxpk= 25, iat=1991,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1993,1994,
 &end
#
#  131 SER  HA          131 SER  HB-         2.80    (#   3325:25  Unique         2.42, 2.74 A)
 &rst
  ixpk= 3325, nxpk= 25, iat=1991,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1993,1994,
 &end
#
#  130 ILE  HA          131 SER  HB+         5.50    (#   3326:25  Unique         5.72, 6.16 A)
 &rst
  ixpk= 3326, nxpk= 25, iat=1972,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1993,1994,
 &end
#
#    6 PHE  HD          123 VAL  HA          5.50    (#   3329:25  Unique         5.61, 6.77 A)
 &rst
  ixpk= 3329, nxpk= 25, iat=  -1,1857, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 106, 114,
 &end
#
#    0 AMB  25-2:3330     0 AMB  25-1:3330   4.50    (#   3330:25  Double Ambig)
 &rst
  ixpk= 3330, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 419,1473,
 igr2= 443, 444,1861,1862,1863,1865,1866,1867,
 &end
#
#  113 ARG  HE           49 MET  ME          5.50    (#   3331:25  Unique         4.03, 5.57 A)
 &rst
  ixpk= 3331, nxpk= 25, iat=1689,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 737, 738, 739,
 &end
#
#    0 AMB  25-2:3333    49 MET  ME          5.50    (#   3333:25  Single Ambig)
 &rst
  ixpk= 3333, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 743, 673,
 igr2= 737, 738, 739,
 &end
#
#   48 ALA  HN           49 MET  ME          5.50    (#   3334:25  Unique         6.12, 6.92 A)
 &rst
  ixpk= 3334, nxpk= 25, iat= 716,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 737, 738, 739,
 &end
#
#  112 PHE  HD           49 MET  ME          5.50    (#   3335:25  Unique         4.54, 6.47 A)
 &rst
  ixpk= 3335, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1664,1672,
 igr2= 737, 738, 739,
 &end
#
#   48 ALA  MB           49 MET  ME          2.80    (#   3337:25  Unique         2.33, 3.80 A)
 &rst
  ixpk= 3337, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 720, 721, 722,
 igr2= 737, 738, 739,
 &end
#
#   49 MET  HG+          49 MET  ME          2.80    (#   3338:25  Unique         2.15, 3.30 A)
 &rst
  ixpk= 3338, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 733, 734,
 igr2= 737, 738, 739,
 &end
#
#   52 GLU  HG+          49 MET  ME          4.50    (#   3339:25  Unique         4.60, 6.07 A)
 &rst
  ixpk= 3339, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 782, 783,
 igr2= 737, 738, 739,
 &end
#
#    0 AMB  25-2:3340    49 MET  ME          4.50    (#   3340:25  Single Ambig)
 &rst
  ixpk= 3340, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1660,1661,1686,1687,
 igr2= 737, 738, 739,
 &end
#
#  112 PHE  HB+          49 MET  ME          4.50    (#   3341:25  Unique         4.51, 5.79 A)
 &rst
  ixpk= 3341, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1660,1661,
 igr2= 737, 738, 739,
 &end
#
#   46 ALA  HA           49 MET  ME          5.50    (#   3342:25  Unique         5.30, 5.99 A)
 &rst
  ixpk= 3342, nxpk= 25, iat= 689,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 737, 738, 739,
 &end
#
#   45 THR  HA           49 MET  ME          5.50    (#   3343:25  Unique         3.61, 4.63 A)
 &rst
  ixpk= 3343, nxpk= 25, iat= 675,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 737, 738, 739,
 &end
#
#    0 AMB  25-2:3345    49 MET  ME          5.50    (#   3345:25  Single Ambig)
 &rst
  ixpk= 3345, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1676,1606,
 igr2= 737, 738, 739,
 &end
#
#    6 PHE  HN            7 VAL  MGY         5.50    (#   3346:25  Unique         2.57, 5.46 A)
 &rst
  ixpk= 3346, nxpk= 25, iat=  98,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 124, 125, 126, 128, 129, 130,
 &end
#
#    0 AMB  25-2:3347     7 VAL  MGY         5.50    (#   3347:25  Single Ambig)
 &rst
  ixpk= 3347, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=1130, 528,1160,
 igr2= 124, 125, 126, 128, 129, 130,
 &end
#
#    0 AMB  25-2:3348     7 VAL  MGX         5.50    (#   3348:25  Single Ambig)
 &rst
  ixpk= 3348, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=1130, 528,1160,
 igr2= 124, 125, 126, 128, 129, 130,
 &end
#
#    7 VAL  HN            7 VAL  MGX         5.50    (#   3349:25  Unique         2.32, 3.95 A)
 &rst
  ixpk= 3349, nxpk= 25, iat= 118,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 124, 125, 126, 128, 129, 130,
 &end
#
#    7 VAL  HN            7 VAL  MGY         5.50    (#   3350:25  Unique         2.32, 3.95 A)
 &rst
  ixpk= 3350, nxpk= 25, iat= 118,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 124, 125, 126, 128, 129, 130,
 &end
#
#   90 TRP  HE3           7 VAL  MGX         5.50    (#   3351:25  Unique         4.09, 6.22 A)
 &rst
  ixpk= 3351, nxpk= 25, iat=1325,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 124, 125, 126, 128, 129, 130,
 &end
#
#    8 CYS  HN            7 VAL  MGX         5.50    (#   3352:25  Unique         2.37, 4.51 A)
 &rst
  ixpk= 3352, 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
#
#    8 CYS  HN            7 VAL  MGY         5.50    (#   3353:25  Unique         2.37, 4.51 A)
 &rst
  ixpk= 3353, 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
#
#   78 SER  HA            7 VAL  MGY         5.50    (#   3354:25  Unique         2.23, 4.93 A)
 &rst
  ixpk= 3354, nxpk= 25, iat=1151,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 124, 125, 126, 128, 129, 130,
 &end
#
#   78 SER  HA            7 VAL  MGX         5.50    (#   3355:25  Unique         2.23, 4.93 A)
 &rst
  ixpk= 3355, nxpk= 25, iat=1151,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 124, 125, 126, 128, 129, 130,
 &end
#
#   35 SER  HB-           7 VAL  MGY         5.50    (#   3360:25  Unique         2.19, 6.52 A)
 &rst
  ixpk= 3360, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 532, 533,
 igr2= 124, 125, 126, 128, 129, 130,
 &end
#
#   35 SER  HB-           7 VAL  MGX         5.50    (#   3361:25  Unique         2.19, 6.52 A)
 &rst
  ixpk= 3361, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 532, 533,
 igr2= 124, 125, 126, 128, 129, 130,
 &end
#
#   90 TRP  HB-           7 VAL  MGX         5.50    (#   3362:25  Unique         3.75, 6.33 A)
 &rst
  ixpk= 3362, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1310,1311,
 igr2= 124, 125, 126, 128, 129, 130,
 &end
#
#    0 AMB  25-2:3364     7 VAL  MGY         2.80    (#   3364:25  Single Ambig)
 &rst
  ixpk= 3364, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 122,1248,1249,
 igr2= 124, 125, 126, 128, 129, 130,
 &end
#
#    0 AMB  25-2:3365     7 VAL  MGX         2.80    (#   3365:25  Single Ambig)
 &rst
  ixpk= 3365, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 122,1248,1249,
 igr2= 124, 125, 126, 128, 129, 130,
 &end
#
#   76 VAL  MGX           7 VAL  MGX         3.50    (#   3366:25  Unique         2.42, 6.57 A)
 &rst
  ixpk= 3366, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1120,1121,1122,1124,1125,1126,
 igr2= 124, 125, 126, 128, 129, 130,
 &end
#
#   25 LEU  HN           24 THR  MG2         2.80    (#   3367:25  Unique         2.78, 3.74 A)
 &rst
  ixpk= 3367, nxpk= 25, iat= 393,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 385, 386, 387,
 &end
#
#    0 AMB  25-2:3368    30 ILE  HB          5.50    (#   3368:25  Single Ambig)
 &rst
  ixpk= 3368, nxpk= 25, iat=  -1, 462, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 479,  67,
 &end
#
#  112 PHE  HA           50 MET  ME          3.50    (#   3369:25  Unique         3.05, 4.40 A)
 &rst
  ixpk= 3369, nxpk= 25, iat=1658,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 754, 755, 756,
 &end
#
#  116 ARG  HD+          50 MET  ME          5.50    (#   3370:25  Unique         3.85, 5.59 A)
 &rst
  ixpk= 3370, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1740,1741,
 igr2= 754, 755, 756,
 &end
#
#  103 ASP  HA           50 MET  ME          5.50    (#   3371:25  Unique         5.85, 6.66 A)
 &rst
  ixpk= 3371, nxpk= 25, iat=1535,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 754, 755, 756,
 &end
#
#   18 ALA  HN           50 MET  ME          5.50    (#   3375:25  Unique         6.09, 7.05 A)
 &rst
  ixpk= 3375, nxpk= 25, iat= 295,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 754, 755, 756,
 &end
#
#   50 MET  HN           50 MET  ME          5.50    (#   3376:25  Unique         4.31, 5.34 A)
 &rst
  ixpk= 3376, nxpk= 25, iat= 743,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 754, 755, 756,
 &end
#
#   17 MET  HN           50 MET  ME          4.50    (#   3377:25  Unique         4.04, 5.47 A)
 &rst
  ixpk= 3377, nxpk= 25, iat= 278,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 754, 755, 756,
 &end
#
#    0 AMB  25-2:3378    50 MET  ME          5.50    (#   3378:25  Single Ambig)
 &rst
  ixpk= 3378, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 726,1714,
 igr2= 754, 755, 756,
 &end
#
#    0 AMB  25-2:3379    50 MET  ME          4.50    (#   3379:25  Single Ambig)
 &rst
  ixpk= 3379, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1730, 261,
 igr2= 754, 755, 756,
 &end
#
#   17 MET  HG+          50 MET  ME          3.50    (#   3380:25  Unique         1.96, 2.93 A)
 &rst
  ixpk= 3380, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 285, 286,
 igr2= 754, 755, 756,
 &end
#
#  116 ARG  HD-          50 MET  ME          5.50    (#   3382:25  Unique         3.85, 5.59 A)
 &rst
  ixpk= 3382, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1740,1741,
 igr2= 754, 755, 756,
 &end
#
#   17 MET  HG-          50 MET  ME          2.80    (#   3383:25  Unique         1.96, 2.93 A)
 &rst
  ixpk= 3383, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 285, 286,
 igr2= 754, 755, 756,
 &end
#
#  104 PRO  HG+          50 MET  ME          3.50    (#   3385:25  Unique         2.49, 4.01 A)
 &rst
  ixpk= 3385, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1549,1550,
 igr2= 754, 755, 756,
 &end
#
#   16 GLN  HG-          50 MET  ME          3.50    (#   3386:25  Unique         2.23, 4.17 A)
 &rst
  ixpk= 3386, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 268, 269,
 igr2= 754, 755, 756,
 &end
#
#   57 ILE  QD1          50 MET  ME          4.50    (#   3388:25  Unique         3.27, 5.02 A)
 &rst
  ixpk= 3388, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 857, 858, 859,
 igr2= 754, 755, 756,
 &end
#
#  104 PRO  HB+          50 MET  ME          5.50    (#   3389:25  Unique         4.64, 5.85 A)
 &rst
  ixpk= 3389, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1552,1553,
 igr2= 754, 755, 756,
 &end
#
#   55 ILE  QG2          24 THR  HB          5.50    (#   3390:25  Unique         4.97, 6.43 A)
 &rst
  ixpk= 3390, nxpk= 25, iat=  -1, 383, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 819, 820, 821,
 &end
#
#    0 AMB  25-2:3391     0 AMB  25-1:3391   3.50    (#   3391:25  Double Ambig)
 &rst
  ixpk= 3391, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1925,1926,1927, 493, 494, 495, 497, 498, 499,
 igr2= 414, 415, 414, 415,
 &end
#
#  119 VAL  MGY          50 MET  ME          5.50    (#   3401:25  Unique         5.50, 7.75 A)
 &rst
  ixpk= 3401, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=1784,1785,1786,1788,1789,1790,
 igr2= 754, 755, 756,
 &end
#
#   21 PHE  HB+          17 MET  ME          5.50    (#   3402:25  Unique         3.68, 5.55 A)
 &rst
  ixpk= 3402, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 331, 332,
 igr2= 289, 290, 291,
 &end
#
#   21 PHE  HB-          17 MET  ME          4.50    (#   3403:25  Unique         3.68, 5.55 A)
 &rst
  ixpk= 3403, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 331, 332,
 igr2= 289, 290, 291,
 &end
#
#    0 AMB  25-2:3404    17 MET  ME          4.50    (#   3404:25  Single Ambig)
 &rst
  ixpk= 3404, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 285, 286, 282, 283,
 igr2= 289, 290, 291,
 &end
#
#    0 AMB  25-2:3405    17 MET  ME          4.50    (#   3405:25  Single Ambig)
 &rst
  ixpk= 3405, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 747, 748, 282, 283,
 igr2= 289, 290, 291,
 &end
#
#    0 AMB  25-2:3406    17 MET  ME          2.80    (#   3406:25  Single Ambig)
 &rst
  ixpk= 3406, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 747, 748,1737,1738,
 igr2= 289, 290, 291,
 &end
#
#    0 AMB  25-2:3407    17 MET  ME          5.50    (#   3407:25  Single Ambig)
 &rst
  ixpk= 3407, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.14, r4= 9.89,
 igr1= 268, 269, 691, 692, 693, 265, 266,
 igr2= 289, 290, 291,
 &end
#
#   55 ILE  QG2          17 MET  ME          2.80    (#   3409:25  Unique         2.02, 3.79 A)
 &rst
  ixpk= 3409, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 819, 820, 821,
 igr2= 289, 290, 291,
 &end
#
#   55 ILE  QD1          17 MET  ME          2.80    (#   3410:25  Unique         2.11, 3.82 A)
 &rst
  ixpk= 3410, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 826, 827, 828,
 igr2= 289, 290, 291,
 &end
#
#   47 ILE  HA           17 MET  ME          5.50    (#   3411:25  Unique         6.04, 7.08 A)
 &rst
  ixpk= 3411, nxpk= 25, iat= 699,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 289, 290, 291,
 &end
#
#   20 GLY  HA+          17 MET  ME          3.50    (#   3412:25  Unique         2.63, 4.59 A)
 &rst
  ixpk= 3412, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 322, 323,
 igr2= 289, 290, 291,
 &end
#
#   17 MET  HA           17 MET  ME          3.50    (#   3413:25  Unique         2.13, 3.06 A)
 &rst
  ixpk= 3413, nxpk= 25, iat= 280,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 289, 290, 291,
 &end
#
#    0 AMB  25-2:3414    17 MET  ME          4.50    (#   3414:25  Single Ambig)
 &rst
  ixpk= 3414, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1732, 815,
 igr2= 289, 290, 291,
 &end
#
#   21 PHE  HA           17 MET  ME          4.50    (#   3415:25  Unique         3.71, 4.89 A)
 &rst
  ixpk= 3415, nxpk= 25, iat= 329,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 289, 290, 291,
 &end
#
#  122 ARG  HB+         122 ARG  HG-         3.50    (#   3416:25  Unique         2.30, 2.76 A)
 &rst
  ixpk= 3416, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1835,1836,
 igr2=1838,1839,
 &end
#
#  122 ARG  HD+         122 ARG  HG-         5.50    (#   3418:25  Unique         2.26, 2.75 A)
 &rst
  ixpk= 3418, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1841,1842,
 igr2=1838,1839,
 &end
#
#  122 ARG  HD+         122 ARG  HG-         5.50    (#   3419:25  Unique         2.26, 2.75 A)
 &rst
  ixpk= 3419, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1841,1842,
 igr2=1838,1839,
 &end
#
#  122 ARG  HA          122 ARG  HG-         4.50    (#   3420:25  Unique         2.23, 2.94 A)
 &rst
  ixpk= 3420, nxpk= 25, iat=1833,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1838,1839,
 &end
#
#  122 ARG  HN          122 ARG  HG-         5.50    (#   3421:25  Unique         2.31, 2.79 A)
 &rst
  ixpk= 3421, nxpk= 25, iat=1831,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1838,1839,
 &end
#
#   75 VAL  MGX          77 ILE  QD1         4.50    (#   3422:25  Unique         2.27, 5.30 A)
 &rst
  ixpk= 3422, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=1104,1105,1106,1108,1109,1110,
 igr2=1143,1144,1145,
 &end
#
#   31 ALA  HN            1 MET  HB-         5.50    (#   3423:25  Unique         2.89, 4.95 A)
 &rst
  ixpk= 3423, nxpk= 25, iat= 477,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=   8,   9,
 &end
#
#   73 TYR  HD           68 PHE  HB-         5.50    (#   3426:25  Unique         4.10, 6.62 A)
 &rst
  ixpk= 3426, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1073,1082,
 igr2=1001,1002,
 &end
#
#   71 ASP  HB-          69 ASN  HB+         5.50    (#   3429:25  Unique         3.51, 4.73 A)
 &rst
  ixpk= 3429, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1045,1046,
 igr2=1021,1022,
 &end
#
#    0 AMB  25-2:3430    25 LEU  MDY         5.50    (#   3430:25  Single Ambig)
 &rst
  ixpk= 3430, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 412,1938,
 igr2= 402, 403, 404, 406, 407, 408,
 &end
#
#   30 ILE  HN           29 LYS  HG+         5.50    (#   3431:25  Unique         2.72, 3.85 A)
 &rst
  ixpk= 3431, nxpk= 25, iat= 458,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 443, 444,
 &end
#
#    0 AMB  25-2:3434     0 AMB  25-1:3434   5.50    (#   3434:25  Double Ambig)
 &rst
  ixpk= 3434, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1009,1005,1013,
 igr2= 532, 533, 532, 533,
 &end
#
#    0 AMB  25-2:3435    35 SER  HB-         5.50    (#   3435:25  Single Ambig)
 &rst
  ixpk= 3435, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 507, 521, 522,
 igr2= 532, 533,
 &end
#
#   85 ASN  HB+          37 LEU  MDY         4.50    (#   3437:25  Unique         2.38, 5.57 A)
 &rst
  ixpk= 3437, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1234,1235,
 igr2= 555, 556, 557, 559, 560, 561,
 &end
#
#    2 LYS  HN            2 LYS  HG-         3.50    (#   3438:25  Unique         1.82, 2.51 A)
 &rst
  ixpk= 3438, nxpk= 25, iat=  21,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  28,  29,
 &end
#
#   50 MET  HG+          46 ALA  MB          4.50    (#   3439:25  Unique         2.56, 4.56 A)
 &rst
  ixpk= 3439, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 750, 751,
 igr2= 691, 692, 693,
 &end
#
#   58 SER  HB+          47 ILE  QG2         3.50    (#   3441:25  Unique         3.05, 4.55 A)
 &rst
  ixpk= 3441, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 867, 868,
 igr2= 703, 704, 705,
 &end
#
#   50 MET  HG-          47 ILE  QG2         5.50    (#   3442:25  Unique         5.25, 7.09 A)
 &rst
  ixpk= 3442, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 750, 751,
 igr2= 703, 704, 705,
 &end
#
#   25 LEU  HB+         127 ILE  QG2         3.50    (#   3443:25  Unique         3.02, 4.73 A)
 &rst
  ixpk= 3443, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 397, 398,
 igr2=1925,1926,1927,
 &end
#
#   49 MET  HG+          48 ALA  MB          3.50    (#   3444:25  Unique         3.23, 5.27 A)
 &rst
  ixpk= 3444, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 733, 734,
 igr2= 720, 721, 722,
 &end
#
#   50 MET  HB-          55 ILE  QG2         3.50    (#   3447:25  Unique         2.35, 3.60 A)
 &rst
  ixpk= 3447, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 747, 748,
 igr2= 819, 820, 821,
 &end
#
#   50 MET  HB+          55 ILE  QG2         4.50    (#   3448:25  Unique         2.35, 3.60 A)
 &rst
  ixpk= 3448, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 747, 748,
 igr2= 819, 820, 821,
 &end
#
#   42 VAL  MGY          57 ILE  HB          4.50    (#   3450:25  Unique         2.13, 3.59 A)
 &rst
  ixpk= 3450, nxpk= 25, iat=  -1, 848, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 632, 633, 634, 636, 637, 638,
 &end
#
#    0 AMB  25-2:3451    57 ILE  QG2         3.50    (#   3451:25  Single Ambig)
 &rst
  ixpk= 3451, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 747, 748, 630,
 igr2= 850, 851, 852,
 &end
#
#   34 SER  HA            5 MET  HB-         5.50    (#   3452:25  Unique         2.19, 3.64 A)
 &rst
  ixpk= 3452, nxpk= 25, iat= 519,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  85,  86,
 &end
#
#   93 GLN  HN           91 VAL  MGY         5.50    (#   3453:25  Unique         5.62, 6.85 A)
 &rst
  ixpk= 3453, nxpk= 25, iat=1360,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1336,1337,1338,1340,1341,1342,
 &end
#
#   93 GLN  HG-          93 GLN  HB+         3.50    (#   3455:25  Unique         2.34, 2.61 A)
 &rst
  ixpk= 3455, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1367,1368,
 igr2=1364,1365,
 &end
#
#   11 ASN  HN           11 ASN  HB+         4.50    (#   3456:25  Unique         2.36, 2.74 A)
 &rst
  ixpk= 3456, nxpk= 25, iat= 190,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 194, 195,
 &end
#
#   21 PHE  HE           17 MET  HA          5.50    (#   3457:25  Unique         4.73, 6.69 A)
 &rst
  ixpk= 3457, nxpk= 25, iat=  -1, 280, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 337, 341,
 &end
#
#   25 LEU  MDY         120 LYS  HE-         2.80    (#   3458:25  Unique         2.48, 4.74 A)
 &rst
  ixpk= 3458, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 402, 403, 404, 406, 407, 408,
 igr2=1807,1808,
 &end
#
#  120 LYS  HD-         120 LYS  HE-         2.80    (#   3459:25  Unique         2.34, 2.70 A)
 &rst
  ixpk= 3459, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1804,1805,
 igr2=1807,1808,
 &end
#
#   96 PHE  HN           96 PHE  HB-         3.50    (#   3460:25  Unique         2.40, 3.14 A)
 &rst
  ixpk= 3460, nxpk= 25, iat=1411,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1415,1416,
 &end
#
#   96 PHE  HA           96 PHE  HB-         4.50    (#   3461:25  Unique         2.16, 2.65 A)
 &rst
  ixpk= 3461, nxpk= 25, iat=1413,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1415,1416,
 &end
#
#    0 AMB  25-2:3463   111 VAL  MGX         2.80    (#   3463:25  Single Ambig)
 &rst
  ixpk= 3463, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=1585,1586,1582,1583,1525,1526,
 igr2=1646,1647,1648,1650,1651,1652,
 &end
#
#  116 ARG  HB-         116 ARG  HG+         3.50    (#   3464:25  Unique         2.32, 2.77 A)
 &rst
  ixpk= 3464, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1734,1735,
 igr2=1737,1738,
 &end
#
#  119 VAL  MGX         120 LYS  HA          4.50    (#   3466:25  Unique         3.12, 5.50 A)
 &rst
  ixpk= 3466, nxpk= 25, iat=  -1,1796, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1784,1785,1786,1788,1789,1790,
 &end
#
#   21 PHE  HB+         120 LYS  HA          4.50    (#   3467:25  Unique         2.95, 3.62 A)
 &rst
  ixpk= 3467, nxpk= 25, iat=  -1,1796, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 331, 332,
 &end
#
#   99 TRP  HA          122 ARG  HD+         5.50    (#   3469:25  Unique         3.15, 4.71 A)
 &rst
  ixpk= 3469, nxpk= 25, iat=1460,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1841,1842,
 &end
#
#   14 ARG  HD-          14 ARG  HG+         3.50    (#   3470:25  Unique         2.28, 2.69 A)
 &rst
  ixpk= 3470, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 236, 237,
 igr2= 233, 234,
 &end
#
#   14 ARG  HD+          14 ARG  HG+         4.50    (#   3471:25  Unique         2.28, 2.69 A)
 &rst
  ixpk= 3471, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 236, 237,
 igr2= 233, 234,
 &end
#
#  103 ASP  HB+          14 ARG  HG+         4.50    (#   3472:25  Unique         2.15, 3.79 A)
 &rst
  ixpk= 3472, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1537,1538,
 igr2= 233, 234,
 &end
#
#    0 AMB  25-2:3473     0 AMB  25-1:3473   2.80    (#   3473:25  Double Ambig)
 &rst
  ixpk= 3473, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.71, r4= 6.46,
 igr1=1405,1406,1407,1104,1105,1106,1108,1109,1110,1398,
      1399,1400,
 igr2=1402,1403,1402,1403,1402,1403,
 &end
#
#    0 AMB  25-2:3474     0 AMB  25-1:3474   2.80    (#   3474:25  Double Ambig)
 &rst
  ixpk= 3474, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 230, 231,1438,1439,
 igr2= 233, 234,1402,1403,
 &end
#
#   14 ARG  HB-          14 ARG  HG+         4.50    (#   3475:25  Unique         2.25, 2.71 A)
 &rst
  ixpk= 3475, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 230, 231,
 igr2= 233, 234,
 &end
#
#   95 ILE  HA           95 ILE  HG1+        3.50    (#   3476:25  Unique         2.43, 2.95 A)
 &rst
  ixpk= 3476, nxpk= 25, iat=1394,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1402,1403,
 &end
#
#    0 AMB  25-2:3478     0 AMB  25-1:3478   4.50    (#   3478:25  Double Ambig)
 &rst
  ixpk= 3478, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 250,1392,
 igr2= 233, 234,1402,1403,
 &end
#
#   96 PHE  HN           95 ILE  HG1+        4.50    (#   3479:25  Unique         2.26, 2.81 A)
 &rst
  ixpk= 3479, nxpk= 25, iat=1411,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1402,1403,
 &end
#
#    0 AMB  25-2:3482    17 MET  ME          3.50    (#   3482:25  Single Ambig)
 &rst
  ixpk= 3482, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 750, 751,1737,1738,
 igr2= 289, 290, 291,
 &end
#
#   64 PRO  HD+          63 ASP  HB+         2.80    (#   3483:25  Unique         2.27, 3.95 A)
 &rst
  ixpk= 3483, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 936, 937,
 igr2= 927, 928,
 &end
#
#   64 PRO  HD-          63 ASP  HB+         4.50    (#   3484:25  Unique         2.27, 3.95 A)
 &rst
  ixpk= 3484, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 936, 937,
 igr2= 927, 928,
 &end
#
#   64 PRO  HG-          63 ASP  HB+         5.50    (#   3486:25  Unique         3.63, 5.26 A)
 &rst
  ixpk= 3486, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 939, 940,
 igr2= 927, 928,
 &end
#
#   75 VAL  HA           95 ILE  HG1+        5.50    (#   3488:25  Unique         4.29, 5.41 A)
 &rst
  ixpk= 3488, nxpk= 25, iat=1100,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1402,1403,
 &end
#
#   31 ALA  MB            1 MET  ME          2.80    (#   3489:25  Unique         2.31, 4.75 A)
 &rst
  ixpk= 3489, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 481, 482, 483,
 igr2=  15,  16,  17,
 &end
#
#   28 GLY  HA-           1 MET  ME          3.50    (#   3490:25  Unique         2.82, 4.93 A)
 &rst
  ixpk= 3490, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 431, 432,
 igr2=  15,  16,  17,
 &end
#
#    0 AMB  25-2:3491     1 MET  ME          4.50    (#   3491:25  Single Ambig)
 &rst
  ixpk= 3491, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 421,   6,
 igr2=  15,  16,  17,
 &end
#
#   29 LYS  HA            1 MET  ME          5.50    (#   3492:25  Unique         3.37, 5.00 A)
 &rst
  ixpk= 3492, nxpk= 25, iat= 438,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=  15,  16,  17,
 &end
#
#   31 ALA  HA            1 MET  ME          5.50    (#   3493:25  Unique         2.70, 4.16 A)
 &rst
  ixpk= 3493, nxpk= 25, iat= 479,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=  15,  16,  17,
 &end
#
#   30 ILE  HA            1 MET  ME          5.50    (#   3494:25  Unique         2.90, 4.06 A)
 &rst
  ixpk= 3494, nxpk= 25, iat= 460,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=  15,  16,  17,
 &end
#
#   30 ILE  HN            1 MET  ME          5.50    (#   3495:25  Unique         3.13, 4.01 A)
 &rst
  ixpk= 3495, nxpk= 25, iat= 458,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=  15,  16,  17,
 &end
#
#   29 LYS  HN            1 MET  ME          4.50    (#   3496:25  Unique         2.88, 4.36 A)
 &rst
  ixpk= 3496, nxpk= 25, iat= 436,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=  15,  16,  17,
 &end
#
#   31 ALA  HN            1 MET  ME          5.50    (#   3497:25  Unique         3.25, 4.67 A)
 &rst
  ixpk= 3497, nxpk= 25, iat= 477,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=  15,  16,  17,
 &end
#
#    1 MET  HG+          31 ALA  MB          2.80    (#   3498:25  Unique         2.65, 4.17 A)
 &rst
  ixpk= 3498, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=  11,  12,
 igr2= 481, 482, 483,
 &end
#
#    1 MET  ME           31 ALA  MB          2.80    (#   3499:25  Unique         2.31, 4.75 A)
 &rst
  ixpk= 3499, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1=  15,  16,  17,
 igr2= 481, 482, 483,
 &end
#
#    0 AMB  25-2:3500     0 AMB  25-1:3500   4.50    (#   3500:25  Double Ambig)
 &rst
  ixpk= 3500, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
 igr1= 823, 824, 493, 494, 495, 497, 498, 499,
 igr2= 385, 386, 387, 481, 482, 483,
 &end
#
#   55 ILE  QG2          24 THR  MG2         5.50    (#   3501:25  Unique         5.55, 7.75 A)
 &rst
  ixpk= 3501, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 819, 820, 821,
 igr2= 385, 386, 387,
 &end
#
#    1 MET  HG+           1 MET  HA          3.50    (#   3502:25  Unique         2.29, 3.54 A)
 &rst
  ixpk= 3502, nxpk= 25, iat=  -1,   6, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=  11,  12,
 &end
#
#   30 ILE  QG2           1 MET  HA          4.50    (#   3503:25  Unique         4.20, 5.54 A)
 &rst
  ixpk= 3503, nxpk= 25, iat=  -1,   6, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 464, 465, 466,
 &end
#
#   37 LEU  MDX          37 LEU  HA          2.80    (#   3504:25  Unique         2.07, 3.88 A)
 &rst
  ixpk= 3504, nxpk= 25, iat=  -1, 548, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 555, 556, 557, 559, 560, 561,
 &end
#
#   31 ALA  MB            1 MET  HB-         4.50    (#   3505:25  Unique         2.67, 5.55 A)
 &rst
  ixpk= 3505, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 481, 482, 483,
 igr2=   8,   9,
 &end
#
#   30 ILE  HA            1 MET  HB-         3.50    (#   3509:25  Unique         2.60, 3.91 A)
 &rst
  ixpk= 3509, nxpk= 25, iat= 460,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=   8,   9,
 &end
#
#    0 AMB  25-2:3510     2 LYS  HA          3.50    (#   3510:25  Single Ambig)
 &rst
  ixpk= 3510, nxpk= 25, iat=  -1,  23, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 464, 465, 466,1104,1105,1106,1108,1109,1110,
 &end
#
#    0 AMB  25-2:3511    77 ILE  HA          5.50    (#   3511:25  Single Ambig)
 &rst
  ixpk= 3511, nxpk= 25, iat=  -1,1132, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=1120,1121,1122,1124,1125,1126,1909,1910,1911,1913,
      1914,1915,1909,1910,1911,1913,1914,1915,
 &end
#
#    6 PHE  HD           77 ILE  HA          5.50    (#   3512:25  Unique         5.34, 6.57 A)
 &rst
  ixpk= 3512, nxpk= 25, iat=  -1,1132, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 106, 114,
 &end
#
#    0 AMB  25-2:3513     0 AMB  25-1:3513   5.50    (#   3513:25  Double Ambig)
 &rst
  ixpk= 3513, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 460,  45,
 igr2=  25,  26,  25,  26,
 &end
#
#    2 LYS  HE+           2 LYS  HG-         3.50    (#   3515:25  Unique         2.22, 3.23 A)
 &rst
  ixpk= 3515, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=  34,  35,
 igr2=  28,  29,
 &end
#
#    2 LYS  HB+           2 LYS  HG-         2.80    (#   3516:25  Unique         2.40, 2.78 A)
 &rst
  ixpk= 3516, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=  25,  26,
 igr2=  28,  29,
 &end
#
#  131 SER  HA            2 LYS  HE+         4.50    (#   3518:25  Unique         2.01, 2.59 A)
 &rst
  ixpk= 3518, nxpk= 25, iat=1991,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  34,  35,
 &end
#
#    0 AMB  25-2:3519     0 AMB  25-1:3519   5.50    (#   3519:25  Double Ambig)
 &rst
  ixpk= 3519, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1=1057,1058, 987, 988,
 igr2=1001,1002,1001,1002,
 &end
#
#    0 AMB  25-2:3524     3 LYS  HA          5.50    (#   3524:25  Single Ambig)
 &rst
  ixpk= 3524, nxpk= 25, iat=  -1,  45, r1= 0.00, r2= 1.80, r3= 8.64, r4= 9.39,
 igr1=1104,1105,1106,1108,1109,1110, 464, 465, 466, 493,
       494, 495, 497, 498, 499,
 &end
#
#    4 VAL  MGY           3 LYS  HA          4.50    (#   3525:25  Unique         2.95, 5.13 A)
 &rst
  ixpk= 3525, nxpk= 25, iat=  -1,  45, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=  71,  72,  73,  75,  76,  77,
 &end
#
#    3 LYS  HG-           3 LYS  HA          3.50    (#   3526:25  Unique         2.40, 2.94 A)
 &rst
  ixpk= 3526, nxpk= 25, iat=  -1,  45, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=  50,  51,
 &end
#
#   73 TYR  HA            3 LYS  HE+         5.50    (#   3532:25  Unique         4.11, 5.56 A)
 &rst
  ixpk= 3532, nxpk= 25, iat=1067,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  56,  57,
 &end
#
#    0 AMB  25-2:3537     4 VAL  MGX         5.50    (#   3537:25  Single Ambig)
 &rst
  ixpk= 3537, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 307, 507,
 igr2=  71,  72,  73,  75,  76,  77,
 &end
#
#   74 ASP  HN            4 VAL  MGY         5.50    (#   3538:25  Unique         4.96, 6.84 A)
 &rst
  ixpk= 3538, nxpk= 25, iat=1086,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=  71,  72,  73,  75,  76,  77,
 &end
#
#   23 LYS  HA            4 VAL  MGY         5.50    (#   3540:25  Unique         5.96, 7.71 A)
 &rst
  ixpk= 3540, nxpk= 25, iat= 359,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=  71,  72,  73,  75,  76,  77,
 &end
#
#   68 PHE  HA           69 ASN  HB-         5.50    (#   3541:25  Unique         4.37, 4.80 A)
 &rst
  ixpk= 3541, nxpk= 25, iat= 999,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1021,1022,
 &end
#
#   65 ILE  QG2          64 PRO  HB+         5.50    (#   3542:25  Unique         4.14, 5.92 A)
 &rst
  ixpk= 3542, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 955, 956, 957,
 igr2= 942, 943,
 &end
#
#   64 PRO  HD+          64 PRO  HB+         5.50    (#   3543:25  Unique         2.77, 3.66 A)
 &rst
  ixpk= 3543, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 936, 937,
 igr2= 942, 943,
 &end
#
#   64 PRO  HD+          64 PRO  HB+         5.50    (#   3544:25  Unique         2.77, 3.66 A)
 &rst
  ixpk= 3544, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 936, 937,
 igr2= 942, 943,
 &end
#
#   67 ASN  HN           64 PRO  HB+         5.50    (#   3545:25  Unique         3.13, 4.23 A)
 &rst
  ixpk= 3545, nxpk= 25, iat= 983,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 942, 943,
 &end
#
#    0 AMB  25-2:3546     0 AMB  25-1:3546   5.50    (#   3546:25  Double Ambig)
 &rst
  ixpk= 3546, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1= 955, 956, 957,1253,1254,1255,1257,1258,1259,
 igr2=1267,1268,1267,1268,
 &end
#
#   87 PRO  HB+          87 PRO  HG+         3.50    (#   3547:25  Unique         2.36, 2.63 A)
 &rst
  ixpk= 3547, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1270,1271,
 igr2=1267,1268,
 &end
#
#   87 PRO  HD-          87 PRO  HG+         3.50    (#   3548:25  Unique         2.30, 2.60 A)
 &rst
  ixpk= 3548, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1264,1265,
 igr2=1267,1268,
 &end
#
#   87 PRO  HD-          87 PRO  HG-         4.50    (#   3549:25  Unique         2.30, 2.60 A)
 &rst
  ixpk= 3549, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1264,1265,
 igr2=1267,1268,
 &end
#
#   87 PRO  HB+          87 PRO  HG-         3.50    (#   3550:25  Unique         2.36, 2.63 A)
 &rst
  ixpk= 3550, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1270,1271,
 igr2=1267,1268,
 &end
#
#   87 PRO  HD+          87 PRO  HG+         4.50    (#   3551:25  Unique         2.30, 2.60 A)
 &rst
  ixpk= 3551, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1264,1265,
 igr2=1267,1268,
 &end
#
#   87 PRO  HD+          87 PRO  HG-         4.50    (#   3552:25  Unique         2.30, 2.60 A)
 &rst
  ixpk= 3552, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1264,1265,
 igr2=1267,1268,
 &end
#
#   86 LEU  HA           87 PRO  HG+         5.50    (#   3553:25  Unique         4.14, 4.47 A)
 &rst
  ixpk= 3553, nxpk= 25, iat=1246,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1267,1268,
 &end
#
#   86 LEU  HA           87 PRO  HG-         4.50    (#   3554:25  Unique         4.14, 4.47 A)
 &rst
  ixpk= 3554, nxpk= 25, iat=1246,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1267,1268,
 &end
#
#   90 TRP  HD1          87 PRO  HG+         4.50    (#   3557:25  Unique         2.22, 3.95 A)
 &rst
  ixpk= 3557, nxpk= 25, iat=1314,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1267,1268,
 &end
#
#   90 TRP  HD1          87 PRO  HG-         5.50    (#   3558:25  Unique         2.22, 3.95 A)
 &rst
  ixpk= 3558, nxpk= 25, iat=1314,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1267,1268,
 &end
#
#    0 AMB  25-2:3559    87 PRO  HG-         4.50    (#   3559:25  Single Ambig)
 &rst
  ixpk= 3559, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 955, 956, 957,1253,1254,1255,1257,1258,1259,
 igr2=1267,1268,
 &end
#
#   67 ASN  HD2-         64 PRO  HG+         5.50    (#   3561:25  Unique         3.59, 4.95 A)
 &rst
  ixpk= 3561, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 992, 993,
 igr2= 939, 940,
 &end
#
#    0 AMB  25-2:3562    17 MET  HA          2.80    (#   3562:25  Single Ambig)
 &rst
  ixpk= 3562, nxpk= 25, iat=  -1, 280, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 282, 283, 312, 313,
 &end
#
#   18 ALA  HA           17 MET  HB+         5.50    (#   3563:25  Unique         3.58, 4.44 A)
 &rst
  ixpk= 3563, nxpk= 25, iat= 297,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 282, 283,
 &end
#
#   21 PHE  HD           18 ALA  MB          5.50    (#   3567:25  Unique         5.41, 7.84 A)
 &rst
  ixpk= 3567, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 335, 343,
 igr2= 299, 300, 301,
 &end
#
#   23 LYS  HE+          19 GLU  HA          5.50    (#   3568:25  Unique         4.47, 5.92 A)
 &rst
  ixpk= 3568, nxpk= 25, iat=  -1, 307, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 370, 371,
 &end
#
#    0 AMB  25-2:3569     0 AMB  25-1:3569   5.50    (#   3569:25  Double Ambig)
 &rst
  ixpk= 3569, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1501, 846,
 igr2=1525,1526, 312, 313,
 &end
#
#   57 ILE  HA           20 GLY  HA+         5.50    (#   3570:25  Unique         4.46, 5.22 A)
 &rst
  ixpk= 3570, nxpk= 25, iat= 846,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 322, 323,
 &end
#
#   57 ILE  HA           20 GLY  HA-         5.50    (#   3571:25  Unique         4.46, 5.22 A)
 &rst
  ixpk= 3571, nxpk= 25, iat= 846,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 322, 323,
 &end
#
#   55 ILE  HB           20 GLY  HA-         5.50    (#   3573:25  Unique         4.80, 5.48 A)
 &rst
  ixpk= 3573, nxpk= 25, iat= 817,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 322, 323,
 &end
#
#   55 ILE  QG2          21 PHE  HA          5.50    (#   3575:25  Unique         4.66, 5.72 A)
 &rst
  ixpk= 3575, nxpk= 25, iat=  -1, 329, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 819, 820, 821,
 &end
#
#   23 LYS  HN           21 PHE  HA          5.50    (#   3576:25  Unique         4.14, 4.42 A)
 &rst
  ixpk= 3576, nxpk= 25, iat= 357, 329, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  25-2:3578    21 PHE  HB-         5.50    (#   3578:25  Single Ambig)
 &rst
  ixpk= 3578, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.07, r4= 8.82,
 igr1= 397, 398, 351, 352, 353,
 igr2= 331, 332,
 &end
#
#    0 AMB  25-2:3580     0 AMB  25-1:3580   5.50    (#   3580:25  Double Ambig)
 &rst
  ixpk= 3580, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1535, 395,
 igr2=1520, 349,
 &end
#
#  123 VAL  MGX          22 ALA  MB          4.50    (#   3581:25  Unique         2.29, 4.62 A)
 &rst
  ixpk= 3581, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=1861,1862,1863,1865,1866,1867,
 igr2= 351, 352, 353,
 &end
#
#    0 AMB  25-2:3582    22 ALA  MB          5.50    (#   3582:25  Single Ambig)
 &rst
  ixpk= 3582, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=  67, 479,
 igr2= 351, 352, 353,
 &end
#
#   32 VAL  HA           22 ALA  MB          5.50    (#   3583:25  Unique         5.06, 5.75 A)
 &rst
  ixpk= 3583, nxpk= 25, iat= 489,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 351, 352, 353,
 &end
#
#   23 LYS  HE+          23 LYS  HB-         4.50    (#   3585:25  Unique         2.03, 3.12 A)
 &rst
  ixpk= 3585, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 370, 371,
 igr2= 361, 362,
 &end
#
#   23 LYS  HA           23 LYS  HB-         3.50    (#   3586:25  Unique         2.26, 2.55 A)
 &rst
  ixpk= 3586, nxpk= 25, iat= 359,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 361, 362,
 &end
#
#   23 LYS  HB+          23 LYS  HG+         3.50    (#   3587:25  Unique         2.23, 2.75 A)
 &rst
  ixpk= 3587, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 361, 362,
 igr2= 364, 365,
 &end
#
#   23 LYS  HB+          23 LYS  HG-         3.50    (#   3588:25  Unique         2.23, 2.75 A)
 &rst
  ixpk= 3588, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 361, 362,
 igr2= 364, 365,
 &end
#
#   23 LYS  HE+          23 LYS  HG+         4.50    (#   3589:25  Unique         2.30, 3.41 A)
 &rst
  ixpk= 3589, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 370, 371,
 igr2= 364, 365,
 &end
#
#   23 LYS  HE+          23 LYS  HG-         4.50    (#   3590:25  Unique         2.30, 3.41 A)
 &rst
  ixpk= 3590, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 370, 371,
 igr2= 364, 365,
 &end
#
#    0 AMB  25-2:3591    24 THR  HB          5.50    (#   3591:25  Single Ambig)
 &rst
  ixpk= 3591, nxpk= 25, iat=  -1, 383, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 364, 365, 397, 398,
 &end
#
#   23 LYS  HN           24 THR  HB          5.50    (#   3592:25  Unique         4.33, 4.50 A)
 &rst
  ixpk= 3592, nxpk= 25, iat= 357, 383, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  25-2:3593     0 AMB  25-1:3593   5.50    (#   3593:25  Double Ambig)
 &rst
  ixpk= 3593, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 813, 458,
 igr2= 385, 386, 387, 481, 482, 483,
 &end
#
#   26 GLY  HN           24 THR  MG2         5.50    (#   3594:25  Unique         5.10, 5.96 A)
 &rst
  ixpk= 3594, nxpk= 25, iat= 412,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 385, 386, 387,
 &end
#
#   21 PHE  HE           24 THR  MG2         5.50    (#   3595:25  Unique         3.41, 6.31 A)
 &rst
  ixpk= 3595, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 337, 341,
 igr2= 385, 386, 387,
 &end
#
#   22 ALA  HA           24 THR  MG2         5.50    (#   3598:25  Unique         6.04, 6.89 A)
 &rst
  ixpk= 3598, nxpk= 25, iat= 349,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 385, 386, 387,
 &end
#
#   30 ILE  HG1+         27 ALA  HA          5.50    (#   3601:25  Unique         5.00, 5.56 A)
 &rst
  ixpk= 3601, nxpk= 25, iat=  -1, 421, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 468, 469,
 &end
#
#   26 GLY  HA+          29 LYS  HB+         5.50    (#   3606:25  Unique         2.54, 4.74 A)
 &rst
  ixpk= 3606, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 414, 415,
 igr2= 440, 441,
 &end
#
#    4 VAL  HN           30 ILE  HB          5.50    (#   3607:25  Unique         4.26, 4.62 A)
 &rst
  ixpk= 3607, nxpk= 25, iat=  65, 462, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  127 ILE  HN           30 ILE  QD1         5.50    (#   3608:25  Unique         5.36, 5.70 A)
 &rst
  ixpk= 3608, nxpk= 25, iat=1919,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 471, 472, 473,
 &end
#
#  131 SER  HB-          30 ILE  QG2         5.50    (#   3609:25  Unique         3.92, 5.31 A)
 &rst
  ixpk= 3609, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1993,1994,
 igr2= 464, 465, 466,
 &end
#
#   31 ALA  MB           31 ALA  HA          2.80    (#   3610:25  Unique         2.44, 2.67 A)
 &rst
  ixpk= 3610, nxpk= 25, iat=  -1, 479, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 481, 482, 483,
 &end
#
#    0 AMB  25-2:3611    31 ALA  HA          5.50    (#   3611:25  Single Ambig)
 &rst
  ixpk= 3611, nxpk= 25, iat=  -1, 479, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 493, 494, 495, 497, 498, 499, 468, 469,
 &end
#
#    1 MET  ME           31 ALA  HA          5.50    (#   3612:25  Unique         2.70, 4.16 A)
 &rst
  ixpk= 3612, nxpk= 25, iat=  -1, 479, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=  15,  16,  17,
 &end
#
#  107 GLN  HE2+        111 VAL  MGY         5.50    (#   3614:25  Unique         2.60, 5.19 A)
 &rst
  ixpk= 3614, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1590,1591,
 igr2=1646,1647,1648,1650,1651,1652,
 &end
#
#   34 SER  HN           32 VAL  MGY         5.50    (#   3616:25  Unique         3.36, 5.82 A)
 &rst
  ixpk= 3616, nxpk= 25, iat= 517,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 493, 494, 495, 497, 498, 499,
 &end
#
#   19 GLU  HB+          34 SER  HB+         3.50    (#   3621:25  Unique         2.31, 3.60 A)
 &rst
  ixpk= 3621, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 309, 310,
 igr2= 521, 522,
 &end
#
#   37 LEU  HB+          37 LEU  HA          2.80    (#   3625:25  Unique         2.45, 2.81 A)
 &rst
  ixpk= 3625, nxpk= 25, iat=  -1, 548, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 550, 551,
 &end
#
#   38 GLU  HN           37 LEU  MDX         5.50    (#   3627:25  Unique         3.54, 5.46 A)
 &rst
  ixpk= 3627, nxpk= 25, iat= 565,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 555, 556, 557, 559, 560, 561,
 &end
#
#   39 SER  HN           38 GLU  HG-         5.50    (#   3630:25  Unique         4.16, 4.83 A)
 &rst
  ixpk= 3630, nxpk= 25, iat= 580,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 572, 573,
 &end
#
#   52 GLU  HN           51 GLU  HG+         4.50    (#   3632:25  Unique         3.99, 4.52 A)
 &rst
  ixpk= 3632, nxpk= 25, iat= 775,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 767, 768,
 &end
#
#   84 VAL  MGY          82 SER  HA          5.50    (#   3637:25  Unique         2.45, 4.99 A)
 &rst
  ixpk= 3637, nxpk= 25, iat=  -1,1198, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1220,1221,1222,1224,1225,1226,
 &end
#
#    0 AMB  25-2:3645    42 VAL  HA          5.50    (#   3645:25  Single Ambig)
 &rst
  ixpk= 3645, nxpk= 25, iat=  -1, 628, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 194, 195, 888, 889,
 &end
#
#    0 AMB  25-2:3648    42 VAL  MGX         4.50    (#   3648:25  Single Ambig)
 &rst
  ixpk= 3648, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 604, 846,
 igr2= 632, 633, 634, 636, 637, 638,
 &end
#
#   47 ILE  HA           47 ILE  HB          4.50    (#   3654:25  Unique         3.05, 3.07 A)
 &rst
  ixpk= 3654, nxpk= 25, iat= 699, 701, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   58 SER  HN           47 ILE  QD1         5.50    (#   3657:25  Unique         4.25, 5.22 A)
 &rst
  ixpk= 3657, nxpk= 25, iat= 863,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 710, 711, 712,
 &end
#
#   47 ILE  HA           48 ALA  MB          5.50    (#   3660:25  Unique         5.75, 6.15 A)
 &rst
  ixpk= 3660, nxpk= 25, iat= 699,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 720, 721, 722,
 &end
#
#  112 PHE  HB-          49 MET  HG+         3.50    (#   3662:25  Unique         2.05, 3.08 A)
 &rst
  ixpk= 3662, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1660,1661,
 igr2= 733, 734,
 &end
#
#   55 ILE  HG1+         51 GLU  HA          5.50    (#   3663:25  Unique         4.51, 5.42 A)
 &rst
  ixpk= 3663, nxpk= 25, iat=  -1, 762, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 823, 824,
 &end
#
#   51 GLU  HA           51 GLU  HG+         2.80    (#   3665:25  Unique         2.39, 2.91 A)
 &rst
  ixpk= 3665, nxpk= 25, iat= 762,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 767, 768,
 &end
#
#   53 VAL  MGY          52 GLU  HG-         5.50    (#   3666:25  Unique         2.45, 5.71 A)
 &rst
  ixpk= 3666, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 796, 797, 798, 800, 801, 802,
 igr2= 782, 783,
 &end
#
#   55 ILE  QD1          53 VAL  HB          5.50    (#   3669:25  Unique         4.00, 5.33 A)
 &rst
  ixpk= 3669, nxpk= 25, iat=  -1, 794, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 826, 827, 828,
 &end
#
#   55 ILE  QD1          53 VAL  MGX         2.80    (#   3671:25  Unique         2.49, 5.80 A)
 &rst
  ixpk= 3671, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 826, 827, 828,
 igr2= 796, 797, 798, 800, 801, 802,
 &end
#
#   55 ILE  HG1+         53 VAL  MGX         2.80    (#   3672:25  Unique         2.08, 4.47 A)
 &rst
  ixpk= 3672, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 823, 824,
 igr2= 796, 797, 798, 800, 801, 802,
 &end
#
#   51 GLU  HN           53 VAL  MGX         5.50    (#   3673:25  Unique         4.77, 6.81 A)
 &rst
  ixpk= 3673, nxpk= 25, iat= 760,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 796, 797, 798, 800, 801, 802,
 &end
#
#  116 ARG  HE           53 VAL  MGX         5.50    (#   3674:25  Unique         2.27, 4.61 A)
 &rst
  ixpk= 3674, nxpk= 25, iat=1743,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 796, 797, 798, 800, 801, 802,
 &end
#
#   56 ASP  HN           55 ILE  HB          5.50    (#   3675:25  Unique         3.94, 4.19 A)
 &rst
  ixpk= 3675, nxpk= 25, iat= 832, 817, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   21 PHE  HD           55 ILE  QG2         5.50    (#   3676:25  Unique         5.44, 7.04 A)
 &rst
  ixpk= 3676, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 335, 343,
 igr2= 819, 820, 821,
 &end
#
#   24 THR  HN           55 ILE  QG2         5.50    (#   3677:25  Unique         5.21, 6.63 A)
 &rst
  ixpk= 3677, nxpk= 25, iat= 379,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 819, 820, 821,
 &end
#
#   57 ILE  HA           56 ASP  HB-         5.50    (#   3679:25  Unique         4.96, 5.43 A)
 &rst
  ixpk= 3679, nxpk= 25, iat= 846,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 836, 837,
 &end
#
#   57 ILE  HA           56 ASP  HB-         5.50    (#   3680:25  Unique         4.96, 5.43 A)
 &rst
  ixpk= 3680, nxpk= 25, iat= 846,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 836, 837,
 &end
#
#    0 AMB  25-2:3682    57 ILE  HA          5.50    (#   3682:25  Single Ambig)
 &rst
  ixpk= 3682, nxpk= 25, iat=  -1, 846, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1= 857, 858, 859, 707, 708,
 &end
#
#    0 AMB  25-2:3683    57 ILE  HB          5.50    (#   3683:25  Single Ambig)
 &rst
  ixpk= 3683, nxpk= 25, iat=  -1, 848, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 844, 626,
 &end
#
#   56 ASP  HN           55 ILE  HG1-        5.50    (#   3684:25  Unique         3.33, 4.84 A)
 &rst
  ixpk= 3684, nxpk= 25, iat= 832,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 823, 824,
 &end
#
#  112 PHE  HZ          104 PRO  HA          5.50    (#   3687:25  Unique         5.17, 5.50 A)
 &rst
  ixpk= 3687, nxpk= 25, iat=1668,1555, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   60 GLN  HE2-         19 GLU  HB+         4.50    (#   3688:25  Unique         2.68, 4.97 A)
 &rst
  ixpk= 3688, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 893, 894,
 igr2= 309, 310,
 &end
#
#   35 SER  HB+          65 ILE  HB          5.50    (#   3693:25  Unique         2.20, 2.94 A)
 &rst
  ixpk= 3693, nxpk= 25, iat=  -1, 953, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 532, 533,
 &end
#
#   90 TRP  HB-          65 ILE  QD1         5.50    (#   3695:25  Unique         3.27, 5.01 A)
 &rst
  ixpk= 3695, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1310,1311,
 igr2= 962, 963, 964,
 &end
#
#    0 AMB  25-2:3696    65 ILE  QD1         5.50    (#   3696:25  Single Ambig)
 &rst
  ixpk= 3696, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1=1319,1005,1013,
 igr2= 962, 963, 964,
 &end
#
#   87 PRO  HD+          65 ILE  QG2         5.50    (#   3697:25  Unique         2.73, 4.69 A)
 &rst
  ixpk= 3697, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1264,1265,
 igr2= 955, 956, 957,
 &end
#
#   87 PRO  HD-          65 ILE  QG2         5.50    (#   3698:25  Unique         2.73, 4.69 A)
 &rst
  ixpk= 3698, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1264,1265,
 igr2= 955, 956, 957,
 &end
#
#   67 ASN  HN           66 GLU  HB+         2.80    (#   3699:25  Unique         2.86, 3.50 A)
 &rst
  ixpk= 3699, nxpk= 25, iat= 983,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 972, 973,
 &end
#
#   63 ASP  HB+          67 ASN  HA          5.50    (#   3701:25  Unique         5.01, 6.59 A)
 &rst
  ixpk= 3701, nxpk= 25, iat=  -1, 985, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 927, 928,
 &end
#
#   68 PHE  HN           67 ASN  HB+         5.50    (#   3702:25  Unique         3.02, 3.91 A)
 &rst
  ixpk= 3702, nxpk= 25, iat= 997,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 987, 988,
 &end
#
#   68 PHE  HN           67 ASN  HB-         4.50    (#   3703:25  Unique         3.02, 3.91 A)
 &rst
  ixpk= 3703, nxpk= 25, iat= 997,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 987, 988,
 &end
#
#   64 PRO  HD+          67 ASN  HB-         5.50    (#   3704:25  Unique         2.78, 4.78 A)
 &rst
  ixpk= 3704, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 936, 937,
 igr2= 987, 988,
 &end
#
#   64 PRO  HD+          67 ASN  HB+         5.50    (#   3705:25  Unique         2.78, 4.78 A)
 &rst
  ixpk= 3705, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 936, 937,
 igr2= 987, 988,
 &end
#
#   69 ASN  HD2+         69 ASN  HA          5.50    (#   3706:25  Unique         4.35, 4.67 A)
 &rst
  ixpk= 3706, nxpk= 25, iat=  -1,1019, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1026,1027,
 &end
#
#    0 AMB  25-2:3707    48 ALA  HA          5.50    (#   3707:25  Single Ambig)
 &rst
  ixpk= 3707, nxpk= 25, iat=  -1, 718, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1= 707, 708, 857, 858, 859,
 &end
#
#   69 ASN  HD2+         71 ASP  HA          5.50    (#   3709:25  Unique         4.93, 5.87 A)
 &rst
  ixpk= 3709, nxpk= 25, iat=  -1,1043, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1026,1027,
 &end
#
#   70 ALA  MB           71 ASP  HB+         5.50    (#   3711:25  Unique         4.52, 5.96 A)
 &rst
  ixpk= 3711, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1035,1036,1037,
 igr2=1045,1046,
 &end
#
#   69 ASN  HD2-         72 ASP  HB+         4.50    (#   3712:25  Unique         2.38, 5.42 A)
 &rst
  ixpk= 3712, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1026,1027,
 igr2=1057,1058,
 &end
#
#   73 TYR  HA           72 ASP  HB-         5.50    (#   3713:25  Unique         4.73, 5.39 A)
 &rst
  ixpk= 3713, nxpk= 25, iat=1067,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1057,1058,
 &end
#
#   74 ASP  HB+          73 TYR  HA          5.50    (#   3714:25  Unique         4.28, 4.51 A)
 &rst
  ixpk= 3714, nxpk= 25, iat=  -1,1067, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1090,1091,
 &end
#
#   73 TYR  HE           73 TYR  HA          5.50    (#   3715:25  Unique         4.77, 4.99 A)
 &rst
  ixpk= 3715, nxpk= 25, iat=  -1,1067, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1075,1080,
 &end
#
#   73 TYR  HN           73 TYR  HB+         2.80    (#   3716:25  Unique         2.47, 3.16 A)
 &rst
  ixpk= 3716, nxpk= 25, iat=1065,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1069,1070,
 &end
#
#    0 AMB  25-2:3718     0 AMB  25-1:3718   5.50    (#   3718:25  Double Ambig)
 &rst
  ixpk= 3718, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.76, r4=11.51,
 igr1=1104,1105,1106,1108,1109,1110,1140,1141,1253,1254,
      1255,1257,1258,1259,
 igr2=1069,1070,  85,  86,
 &end
#
#    0 AMB  25-2:3719    74 ASP  HB-         5.50    (#   3719:25  Single Ambig)
 &rst
  ixpk= 3719, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=  21,1114,
 igr2=1090,1091,
 &end
#
#   26 GLY  HA-          29 LYS  HB-         5.50    (#   3721:25  Unique         2.54, 4.74 A)
 &rst
  ixpk= 3721, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 414, 415,
 igr2= 440, 441,
 &end
#
#   74 ASP  HB-          75 VAL  HB          5.50    (#   3722:25  Unique         3.84, 4.97 A)
 &rst
  ixpk= 3722, nxpk= 25, iat=  -1,1102, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1090,1091,
 &end
#
#    0 AMB  25-2:3723    75 VAL  MGX         4.50    (#   3723:25  Single Ambig)
 &rst
  ixpk= 3723, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=  23,1132,
 igr2=1104,1105,1106,1108,1109,1110,
 &end
#
#    0 AMB  25-2:3724    75 VAL  MGY         5.50    (#   3724:25  Single Ambig)
 &rst
  ixpk= 3724, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1=1367,1368,1904,1905,
 igr2=1104,1105,1106,1108,1109,1110,
 &end
#
#    4 VAL  HA           76 VAL  MGX         5.50    (#   3729:25  Unique         4.46, 6.15 A)
 &rst
  ixpk= 3729, nxpk= 25, iat=  67,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1120,1121,1122,1124,1125,1126,
 &end
#
#    0 AMB  25-2:3730    76 VAL  MGX         5.50    (#   3730:25  Single Ambig)
 &rst
  ixpk= 3730, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1151,  83,
 igr2=1120,1121,1122,1124,1125,1126,
 &end
#
#    0 AMB  25-2:3731    76 VAL  MGY         5.50    (#   3731:25  Single Ambig)
 &rst
  ixpk= 3731, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1132,1362,
 igr2=1120,1121,1122,1124,1125,1126,
 &end
#
#    0 AMB  25-2:3732    76 VAL  MGY         5.50    (#   3732:25  Single Ambig)
 &rst
  ixpk= 3732, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1149,1086,
 igr2=1120,1121,1122,1124,1125,1126,
 &end
#
#   77 ILE  HG1+         77 ILE  HA          5.50    (#   3733:25  Unique         3.08, 3.55 A)
 &rst
  ixpk= 3733, nxpk= 25, iat=  -1,1132, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1140,1141,
 &end
#
#    5 MET  HB-          77 ILE  HB          5.50    (#   3734:25  Unique         4.86, 5.34 A)
 &rst
  ixpk= 3734, nxpk= 25, iat=  -1,1134, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  85,  86,
 &end
#
#    0 AMB  25-2:3735     0 AMB  25-1:3735   5.50    (#   3735:25  Double Ambig)
 &rst
  ixpk= 3735, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1=1435,1436,1438,1439,
 igr2=1140,1141,1140,1141,
 &end
#
#   82 SER  HA           82 SER  HB+         2.80    (#   3736:25  Unique         2.36, 2.65 A)
 &rst
  ixpk= 3736, nxpk= 25, iat=1198,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1200,1201,
 &end
#
#   86 LEU  HN           85 ASN  HB+         5.50    (#   3739:25  Unique         2.44, 4.30 A)
 &rst
  ixpk= 3739, nxpk= 25, iat=1244,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1234,1235,
 &end
#
#   86 LEU  MDX          86 LEU  HA          5.50    (#   3741:25  Unique         2.24, 4.25 A)
 &rst
  ixpk= 3741, nxpk= 25, iat=  -1,1246, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1253,1254,1255,1257,1258,1259,
 &end
#
#   87 PRO  HD-          86 LEU  HB+         5.50    (#   3742:25  Unique         2.34, 4.29 A)
 &rst
  ixpk= 3742, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1264,1265,
 igr2=1248,1249,
 &end
#
#   86 LEU  HN           86 LEU  HG          5.50    (#   3743:25  Unique         3.70, 4.14 A)
 &rst
  ixpk= 3743, nxpk= 25, iat=1244,1251, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   65 ILE  QD1          86 LEU  MDX         5.50    (#   3744:25  Unique         2.33, 5.03 A)
 &rst
  ixpk= 3744, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1= 962, 963, 964,
 igr2=1253,1254,1255,1257,1258,1259,
 &end
#
#   92 THR  MG2          88 PRO  HB+         5.50    (#   3746:25  Unique         3.22, 4.76 A)
 &rst
  ixpk= 3746, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1352,1353,1354,
 igr2=1284,1285,
 &end
#
#   91 VAL  MGY          88 PRO  HB+         5.50    (#   3747:25  Unique         2.79, 5.66 A)
 &rst
  ixpk= 3747, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1336,1337,1338,1340,1341,1342,
 igr2=1284,1285,
 &end
#
#   86 LEU  MDY          87 PRO  HD+         4.50    (#   3748:25  Unique         2.20, 5.30 A)
 &rst
  ixpk= 3748, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1253,1254,1255,1257,1258,1259,
 igr2=1264,1265,
 &end
#
#   86 LEU  MDX          87 PRO  HD+         5.50    (#   3749:25  Unique         2.20, 5.30 A)
 &rst
  ixpk= 3749, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1253,1254,1255,1257,1258,1259,
 igr2=1264,1265,
 &end
#
#   86 LEU  MDY          87 PRO  HD-         4.50    (#   3750:25  Unique         2.20, 5.30 A)
 &rst
  ixpk= 3750, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1253,1254,1255,1257,1258,1259,
 igr2=1264,1265,
 &end
#
#    0 AMB  25-2:3751    87 PRO  HD-         4.50    (#   3751:25  Single Ambig)
 &rst
  ixpk= 3751, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=1253,1254,1255,1257,1258,1259, 955, 956, 957,
 igr2=1264,1265,
 &end
#
#   86 LEU  HB-          87 PRO  HD+         4.50    (#   3752:25  Unique         2.34, 4.29 A)
 &rst
  ixpk= 3752, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1248,1249,
 igr2=1264,1265,
 &end
#
#   86 LEU  HB+          87 PRO  HD+         4.50    (#   3753:25  Unique         2.34, 4.29 A)
 &rst
  ixpk= 3753, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1248,1249,
 igr2=1264,1265,
 &end
#
#   86 LEU  HB-          87 PRO  HD-         4.50    (#   3754:25  Unique         2.34, 4.29 A)
 &rst
  ixpk= 3754, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1248,1249,
 igr2=1264,1265,
 &end
#
#   86 LEU  HB+          87 PRO  HD-         4.50    (#   3755:25  Unique         2.34, 4.29 A)
 &rst
  ixpk= 3755, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1248,1249,
 igr2=1264,1265,
 &end
#
#   87 PRO  HG+          87 PRO  HD+         2.80    (#   3756:25  Unique         2.30, 2.60 A)
 &rst
  ixpk= 3756, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1267,1268,
 igr2=1264,1265,
 &end
#
#    0 AMB  25-2:3757    87 PRO  HD-         3.50    (#   3757:25  Single Ambig)
 &rst
  ixpk= 3757, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1270,1271, 972, 973,
 igr2=1264,1265,
 &end
#
#    0 AMB  25-2:3758    87 PRO  HD-         2.80    (#   3758:25  Single Ambig)
 &rst
  ixpk= 3758, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1267,1268, 975, 976,
 igr2=1264,1265,
 &end
#
#   87 PRO  HB+          87 PRO  HD+         5.50    (#   3759:25  Unique         2.83, 3.69 A)
 &rst
  ixpk= 3759, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1270,1271,
 igr2=1264,1265,
 &end
#
#   90 TRP  HB-          87 PRO  HD+         5.50    (#   3760:25  Unique         4.09, 5.60 A)
 &rst
  ixpk= 3760, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1310,1311,
 igr2=1264,1265,
 &end
#
#   87 PRO  HB+          87 PRO  HD-         5.50    (#   3761:25  Unique         2.83, 3.69 A)
 &rst
  ixpk= 3761, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1270,1271,
 igr2=1264,1265,
 &end
#
#   86 LEU  HA           87 PRO  HD+         2.80    (#   3765:25  Unique         2.02, 2.43 A)
 &rst
  ixpk= 3765, nxpk= 25, iat=1246,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1264,1265,
 &end
#
#   86 LEU  HA           87 PRO  HD-         2.80    (#   3766:25  Unique         2.02, 2.43 A)
 &rst
  ixpk= 3766, nxpk= 25, iat=1246,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1264,1265,
 &end
#
#   90 TRP  HD1          87 PRO  HD+         5.50    (#   3767:25  Unique         2.24, 3.11 A)
 &rst
  ixpk= 3767, nxpk= 25, iat=1314,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1264,1265,
 &end
#
#   90 TRP  HD1          87 PRO  HD-         4.50    (#   3768:25  Unique         2.24, 3.11 A)
 &rst
  ixpk= 3768, nxpk= 25, iat=1314,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1264,1265,
 &end
#
#   89 GLU  HN           88 PRO  HD+         4.50    (#   3769:25  Unique         2.90, 3.58 A)
 &rst
  ixpk= 3769, nxpk= 25, iat=1291,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1278,1279,
 &end
#
#   67 ASN  HD2+         64 PRO  HD-         5.50    (#   3770:25  Unique         2.47, 5.01 A)
 &rst
  ixpk= 3770, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 992, 993,
 igr2= 936, 937,
 &end
#
#   67 ASN  HD2-         64 PRO  HD-         5.50    (#   3771:25  Unique         2.47, 5.01 A)
 &rst
  ixpk= 3771, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 992, 993,
 igr2= 936, 937,
 &end
#
#   67 ASN  HD2+         64 PRO  HD+         4.50    (#   3772:25  Unique         2.47, 5.01 A)
 &rst
  ixpk= 3772, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 992, 993,
 igr2= 936, 937,
 &end
#
#   67 ASN  HD2-         64 PRO  HD+         5.50    (#   3773:25  Unique         2.47, 5.01 A)
 &rst
  ixpk= 3773, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 992, 993,
 igr2= 936, 937,
 &end
#
#   63 ASP  HA           64 PRO  HD-         2.80    (#   3776:25  Unique         2.27, 2.64 A)
 &rst
  ixpk= 3776, nxpk= 25, iat= 925,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 936, 937,
 &end
#
#   63 ASP  HA           64 PRO  HD+         2.80    (#   3777:25  Unique         2.27, 2.64 A)
 &rst
  ixpk= 3777, nxpk= 25, iat= 925,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 936, 937,
 &end
#
#   63 ASP  HB+          64 PRO  HD+         2.80    (#   3787:25  Unique         2.27, 3.95 A)
 &rst
  ixpk= 3787, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 927, 928,
 igr2= 936, 937,
 &end
#
#    0 AMB  25-2:3788     0 AMB  25-1:3788   4.50    (#   3788:25  Double Ambig)
 &rst
  ixpk= 3788, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 942, 943, 987, 988,
 igr2= 936, 937, 936, 937,
 &end
#
#    0 AMB  25-2:3789     0 AMB  25-1:3789   3.50    (#   3789:25  Double Ambig)
 &rst
  ixpk= 3789, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 942, 943,1284,1285, 987, 988,
 igr2= 936, 937,1278,1279,
 &end
#
#   64 PRO  HG-          64 PRO  HD-         2.80    (#   3790:25  Unique         2.31, 2.61 A)
 &rst
  ixpk= 3790, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 939, 940,
 igr2= 936, 937,
 &end
#
#   64 PRO  HG-          64 PRO  HD+         2.80    (#   3791:25  Unique         2.31, 2.61 A)
 &rst
  ixpk= 3791, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 939, 940,
 igr2= 936, 937,
 &end
#
#   91 VAL  MGY          89 GLU  HA          5.50    (#   3793:25  Unique         5.00, 6.75 A)
 &rst
  ixpk= 3793, nxpk= 25, iat=  -1,1293, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1336,1337,1338,1340,1341,1342,
 &end
#
#   90 TRP  HD1          89 GLU  HB+         5.50    (#   3796:25  Unique         3.05, 5.78 A)
 &rst
  ixpk= 3796, nxpk= 25, iat=1314,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1295,1296,
 &end
#
#    0 AMB  25-2:3797     0 AMB  25-1:3797   5.50    (#   3797:25  Double Ambig)
 &rst
  ixpk= 3797, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1=1970,1431,1325,
 igr2=1907,1295,1296,
 &end
#
#    7 VAL  MGX          90 TRP  HB+         5.50    (#   3800:25  Unique         3.75, 6.33 A)
 &rst
  ixpk= 3800, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 124, 125, 126, 128, 129, 130,
 igr2=1310,1311,
 &end
#
#    7 VAL  MGX          90 TRP  HB-         5.50    (#   3801:25  Unique         3.75, 6.33 A)
 &rst
  ixpk= 3801, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 124, 125, 126, 128, 129, 130,
 igr2=1310,1311,
 &end
#
#   88 PRO  HB-          91 VAL  MGX         5.50    (#   3803:25  Unique         2.79, 5.66 A)
 &rst
  ixpk= 3803, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1284,1285,
 igr2=1336,1337,1338,1340,1341,1342,
 &end
#
#    0 AMB  25-2:3804    91 VAL  MGX         5.50    (#   3804:25  Single Ambig)
 &rst
  ixpk= 3804, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1198,1350,
 igr2=1336,1337,1338,1340,1341,1342,
 &end
#
#   90 TRP  HN           91 VAL  MGX         5.50    (#   3805:25  Unique         3.57, 5.10 A)
 &rst
  ixpk= 3805, nxpk= 25, iat=1306,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1336,1337,1338,1340,1341,1342,
 &end
#
#   96 PHE  HA           92 THR  HA          5.50    (#   3808:25  Unique         5.58, 5.64 A)
 &rst
  ixpk= 3808, nxpk= 25, iat=1413,1348, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   95 ILE  HN           93 GLN  HB-         5.50    (#   3810:25  Unique         2.45, 3.30 A)
 &rst
  ixpk= 3810, nxpk= 25, iat=1392,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1364,1365,
 &end
#
#   93 GLN  HG-          93 GLN  HB-         2.80    (#   3811:25  Unique         2.34, 2.61 A)
 &rst
  ixpk= 3811, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1367,1368,
 igr2=1364,1365,
 &end
#
#   76 VAL  MGX          93 GLN  HG+         5.50    (#   3812:25  Unique         2.17, 4.24 A)
 &rst
  ixpk= 3812, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1120,1121,1122,1124,1125,1126,
 igr2=1367,1368,
 &end
#
#   76 VAL  MGX          93 GLN  HG-         4.50    (#   3813:25  Unique         2.17, 4.24 A)
 &rst
  ixpk= 3813, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1120,1121,1122,1124,1125,1126,
 igr2=1367,1368,
 &end
#
#   77 ILE  QG2          79 LEU  HG          4.50    (#   3814:25  Unique         2.20, 3.63 A)
 &rst
  ixpk= 3814, nxpk= 25, iat=  -1,1167, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1136,1137,1138,
 &end
#
#  101 LEU  MDY          79 LEU  HG          4.50    (#   3815:25  Unique         4.21, 6.20 A)
 &rst
  ixpk= 3815, nxpk= 25, iat=  -1,1167, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1508,1509,1510,1512,1513,1514,
 &end
#
#   79 LEU  HB-          79 LEU  HG          2.80    (#   3816:25  Unique         2.48, 2.80 A)
 &rst
  ixpk= 3816, nxpk= 25, iat=  -1,1167, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1164,1165,
 &end
#
#   79 LEU  HB+          79 LEU  HG          2.80    (#   3817:25  Unique         2.48, 2.80 A)
 &rst
  ixpk= 3817, nxpk= 25, iat=  -1,1167, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1164,1165,
 &end
#
#    8 CYS  HB-          79 LEU  HG          4.50    (#   3818:25  Unique         4.42, 5.33 A)
 &rst
  ixpk= 3818, nxpk= 25, iat=  -1,1167, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 138, 139,
 &end
#
#   99 TRP  HB-          79 LEU  HG          5.50    (#   3819:25  Unique         4.63, 6.33 A)
 &rst
  ixpk= 3819, nxpk= 25, iat=  -1,1167, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1462,1463,
 &end
#
#   99 TRP  HB+          79 LEU  HG          5.50    (#   3821:25  Unique         4.63, 6.33 A)
 &rst
  ixpk= 3821, nxpk= 25, iat=  -1,1167, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1462,1463,
 &end
#
#    0 AMB  25-2:3822    79 LEU  HG          5.50    (#   3822:25  Single Ambig)
 &rst
  ixpk= 3822, nxpk= 25, iat=  -1,1167, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 254, 255, 236, 237,
 &end
#
#    0 AMB  25-2:3823    79 LEU  HG          5.50    (#   3823:25  Single Ambig)
 &rst
  ixpk= 3823, nxpk= 25, iat=  -1,1167, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1153,1154, 297,
 &end
#
#    8 CYS  HB+          79 LEU  HG          4.50    (#   3824:25  Unique         4.42, 5.33 A)
 &rst
  ixpk= 3824, nxpk= 25, iat=  -1,1167, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 138, 139,
 &end
#
#   78 SER  HA           79 LEU  HG          5.50    (#   3827:25  Unique         3.51, 4.27 A)
 &rst
  ixpk= 3827, nxpk= 25, iat=1151,1167, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   99 TRP  HZ2          97 GLU  HB-         5.50    (#   3835:25  Unique         2.57, 3.16 A)
 &rst
  ixpk= 3835, nxpk= 25, iat=1471,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1435,1436,
 &end
#
#   97 GLU  HA           98 ASP  HB+         4.50    (#   3836:25  Unique         3.71, 4.31 A)
 &rst
  ixpk= 3836, nxpk= 25, iat=1433,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1450,1451,
 &end
#
#  100 GLN  HN          100 GLN  HG+         5.50    (#   3839:25  Unique         2.60, 4.15 A)
 &rst
  ixpk= 3839, nxpk= 25, iat=1482,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1489,1490,
 &end
#
#  100 GLN  HA          100 GLN  HG+         3.50    (#   3840:25  Unique         2.46, 2.94 A)
 &rst
  ixpk= 3840, nxpk= 25, iat=1484,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1489,1490,
 &end
#
#   79 LEU  HG           79 LEU  HB+         3.50    (#   3845:25  Unique         2.48, 2.80 A)
 &rst
  ixpk= 3845, nxpk= 25, iat=1167,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1164,1165,
 &end
#
#   79 LEU  HG           79 LEU  HB-         4.50    (#   3846:25  Unique         2.48, 2.80 A)
 &rst
  ixpk= 3846, nxpk= 25, iat=1167,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1164,1165,
 &end
#
#  101 LEU  MDY          79 LEU  HB-         5.50    (#   3847:25  Unique         2.17, 5.91 A)
 &rst
  ixpk= 3847, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1508,1509,1510,1512,1513,1514,
 igr2=1164,1165,
 &end
#
#   79 LEU  HA           79 LEU  HB+         5.50    (#   3851:25  Unique         2.33, 2.79 A)
 &rst
  ixpk= 3851, nxpk= 25, iat=1162,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1164,1165,
 &end
#
#   79 LEU  HA           79 LEU  HB-         5.50    (#   3852:25  Unique         2.33, 2.79 A)
 &rst
  ixpk= 3852, nxpk= 25, iat=1162,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1164,1165,
 &end
#
#   79 LEU  HA          101 LEU  MDY         5.50    (#   3854:25  Unique         2.67, 5.70 A)
 &rst
  ixpk= 3854, nxpk= 25, iat=1162,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1508,1509,1510,1512,1513,1514,
 &end
#
#  101 LEU  HA          102 GLU  HA          4.50    (#   3855:25  Unique         4.16, 4.30 A)
 &rst
  ixpk= 3855, nxpk= 25, iat=1501,1520, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  105 ASP  HN          104 PRO  HG+         5.50    (#   3857:25  Unique         3.02, 4.12 A)
 &rst
  ixpk= 3857, nxpk= 25, iat=1559,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1549,1550,
 &end
#
#  107 GLN  HG-         105 ASP  HB-         5.50    (#   3862:25  Unique         4.42, 6.10 A)
 &rst
  ixpk= 3862, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1585,1586,
 igr2=1563,1564,
 &end
#
#  107 GLN  HN          105 ASP  HB-         5.50    (#   3865:25  Unique         4.81, 5.60 A)
 &rst
  ixpk= 3865, nxpk= 25, iat=1578,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1563,1564,
 &end
#
#    0 AMB  25-2:3867   107 GLN  HB-         5.50    (#   3867:25  Single Ambig)
 &rst
  ixpk= 3867, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1590,1591,1664,1672,
 igr2=1582,1583,
 &end
#
#  111 VAL  HN          108 SER  HA          5.50    (#   3869:25  Unique         4.57, 4.81 A)
 &rst
  ixpk= 3869, nxpk= 25, iat=1640,1597, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  112 PHE  HN          109 LEU  MDX         5.50    (#   3871:25  Unique         4.20, 6.58 A)
 &rst
  ixpk= 3871, nxpk= 25, iat=1656,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1615,1616,1617,1619,1620,1621,
 &end
#
#  114 THR  MG2         111 VAL  HA          4.50    (#   3873:25  Unique         3.64, 4.20 A)
 &rst
  ixpk= 3873, nxpk= 25, iat=  -1,1642, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1706,1707,1708,
 &end
#
#    1 MET  HN           31 ALA  MB          5.50    (#   3877:25  Unique         5.62, 6.64 A)
 &rst
  ixpk= 3877, nxpk= 25, iat=   2,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 481, 482, 483,
 &end
#
#  107 GLN  HE2-        111 VAL  MGX         4.50    (#   3878:25  Unique         2.60, 5.19 A)
 &rst
  ixpk= 3878, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1590,1591,
 igr2=1646,1647,1648,1650,1651,1652,
 &end
#
#  108 SER  HB+         111 VAL  MGX         5.50    (#   3879:25  Unique         2.28, 5.90 A)
 &rst
  ixpk= 3879, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1599,1600,
 igr2=1646,1647,1648,1650,1651,1652,
 &end
#
#    0 AMB  25-2:3882   112 PHE  HB-         5.50    (#   3882:25  Single Ambig)
 &rst
  ixpk= 3882, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1683,1684,1610,1611,
 igr2=1660,1661,
 &end
#
#  113 ARG  HD+         113 ARG  HB+         4.50    (#   3883:25  Unique         2.42, 2.86 A)
 &rst
  ixpk= 3883, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1686,1687,
 igr2=1680,1681,
 &end
#
#   87 PRO  HD-          87 PRO  HB-         5.50    (#   3885:25  Unique         2.83, 3.69 A)
 &rst
  ixpk= 3885, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1264,1265,
 igr2=1270,1271,
 &end
#
#  116 ARG  HG-         117 GLY  HA-         5.50    (#   3888:25  Unique         4.50, 6.67 A)
 &rst
  ixpk= 3888, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1737,1738,
 igr2=1756,1757,
 &end
#
#  118 GLN  HE2-        118 GLN  HA          5.50    (#   3889:25  Unique         4.08, 4.81 A)
 &rst
  ixpk= 3889, nxpk= 25, iat=  -1,1763, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1773,1774,
 &end
#
#  118 GLN  HE2+        118 GLN  HB-         5.50    (#   3890:25  Unique         2.24, 4.21 A)
 &rst
  ixpk= 3890, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1773,1774,
 igr2=1765,1766,
 &end
#
#    0 AMB  25-2:3892   120 LYS  HA          5.50    (#   3892:25  Single Ambig)
 &rst
  ixpk= 3892, nxpk= 25, iat=  -1,1796, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1818, 349,
 &end
#
#   21 PHE  HD          120 LYS  HG+         5.50    (#   3893:25  Unique         3.38, 5.02 A)
 &rst
  ixpk= 3893, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 335, 343,
 igr2=1801,1802,
 &end
#
#    0 AMB  25-2:3894    37 LEU  MDY         5.50    (#   3894:25  Single Ambig)
 &rst
  ixpk= 3894, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1= 975, 976, 942, 943,
 igr2= 555, 556, 557, 559, 560, 561,
 &end
#
#  120 LYS  HN          120 LYS  HD+         5.50    (#   3895:25  Unique         4.79, 4.89 A)
 &rst
  ixpk= 3895, nxpk= 25, iat=1794,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1804,1805,
 &end
#
#  120 LYS  HB+         121 GLU  HA          5.50    (#   3896:25  Unique         4.00, 4.80 A)
 &rst
  ixpk= 3896, nxpk= 25, iat=  -1,1818, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1798,1799,
 &end
#
#    0 AMB  25-2:3898   122 ARG  HA          5.50    (#   3898:25  Single Ambig)
 &rst
  ixpk= 3898, nxpk= 25, iat=  -1,1833, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1857,1873,
 &end
#
#  124 GLU  HN          122 ARG  HA          5.50    (#   3899:25  Unique         4.41, 4.55 A)
 &rst
  ixpk= 3899, nxpk= 25, iat=1871,1833, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    6 PHE  HZ          123 VAL  HA          5.50    (#   3901:25  Unique         3.36, 4.04 A)
 &rst
  ixpk= 3901, nxpk= 25, iat= 110,1857, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  114 THR  MG2         111 VAL  HB          5.50    (#   3903:25  Unique         6.31, 6.84 A)
 &rst
  ixpk= 3903, nxpk= 25, iat=  -1,1644, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1706,1707,1708,
 &end
#
#    0 AMB  25-2:3905   123 VAL  MGX         4.50    (#   3905:25  Single Ambig)
 &rst
  ixpk= 3905, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=1904,1905, 400,
 igr2=1861,1862,1863,1865,1866,1867,
 &end
#
#   18 ALA  HA          123 VAL  MGX         3.50    (#   3906:25  Unique         2.08, 4.10 A)
 &rst
  ixpk= 3906, nxpk= 25, iat= 297,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1861,1862,1863,1865,1866,1867,
 &end
#
#  127 ILE  HN          125 ASN  HB-         5.50    (#   3908:25  Unique         5.13, 5.62 A)
 &rst
  ixpk= 3908, nxpk= 25, iat=1919,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1890,1891,
 &end
#
#  127 ILE  HN          125 ASN  HB+         5.50    (#   3909:25  Unique         5.13, 5.62 A)
 &rst
  ixpk= 3909, nxpk= 25, iat=1919,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1890,1891,
 &end
#
#   99 TRP  HZ2         125 ASN  HB-         5.50    (#   3910:25  Unique         3.75, 5.43 A)
 &rst
  ixpk= 3910, nxpk= 25, iat=1471,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1890,1891,
 &end
#
#   99 TRP  HZ2         125 ASN  HB+         5.50    (#   3911:25  Unique         3.75, 5.43 A)
 &rst
  ixpk= 3911, nxpk= 25, iat=1471,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1890,1891,
 &end
#
#    0 AMB  25-2:3912   125 ASN  HB-         5.50    (#   3912:25  Single Ambig)
 &rst
  ixpk= 3912, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1857,1873,
 igr2=1890,1891,
 &end
#
#   99 TRP  HH2         126 LEU  HB+         5.50    (#   3913:25  Unique         2.21, 3.68 A)
 &rst
  ixpk= 3913, nxpk= 25, iat=1473,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1904,1905,
 &end
#
#   93 GLN  HE2-         89 GLU  HB+         5.50    (#   3914:25  Unique         2.74, 4.31 A)
 &rst
  ixpk= 3914, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1372,1373,
 igr2=1295,1296,
 &end
#
#  127 ILE  HG1+        126 LEU  MDY         3.50    (#   3915:25  Unique         2.51, 5.20 A)
 &rst
  ixpk= 3915, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1929,1930,
 igr2=1909,1910,1911,1913,1914,1915,
 &end
#
#  123 VAL  MGX         127 ILE  HG1-        5.50    (#   3917:25  Unique         3.13, 5.64 A)
 &rst
  ixpk= 3917, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1861,1862,1863,1865,1866,1867,
 igr2=1929,1930,
 &end
#
#  126 LEU  HN          127 ILE  HB          5.50    (#   3922:25  Unique         4.66, 4.79 A)
 &rst
  ixpk= 3922, nxpk= 25, iat=1900,1923, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  25-2:3923   127 ILE  HB          4.50    (#   3923:25  Single Ambig)
 &rst
  ixpk= 3923, nxpk= 25, iat=  -1,1923, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1=1942,1943,1944,1980,1981,
 &end
#
#  127 ILE  QD1         127 ILE  HB          2.80    (#   3924:25  Unique         2.45, 3.12 A)
 &rst
  ixpk= 3924, nxpk= 25, iat=  -1,1923, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1932,1933,1934,
 &end
#
#   30 ILE  HN           29 LYS  HD+         5.50    (#   3926:25  Unique         4.43, 5.21 A)
 &rst
  ixpk= 3926, nxpk= 25, iat= 458,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 446, 447,
 &end
#
#  130 ILE  QD1         130 ILE  HA          4.50    (#   3929:25  Unique         4.83, 5.09 A)
 &rst
  ixpk= 3929, nxpk= 25, iat=  -1,1972, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1983,1984,1985,
 &end
#
#   56 ASP  HN           55 ILE  QD1         5.50    (#   3931:25  Unique         3.33, 4.80 A)
 &rst
  ixpk= 3931, nxpk= 25, iat= 832,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 826, 827, 828,
 &end
#
#   65 ILE  QD1           7 VAL  HB          5.50    (#   3934:25  Unique         2.96, 4.44 A)
 &rst
  ixpk= 3934, nxpk= 25, iat=  -1, 122, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 962, 963, 964,
 &end
#
#    7 VAL  MGX           7 VAL  HB          2.80    (#   3935:25  Unique         2.34, 2.64 A)
 &rst
  ixpk= 3935, 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    (#   3936:25  Unique         2.34, 2.64 A)
 &rst
  ixpk= 3936, 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
#
#   86 LEU  MDX           7 VAL  HB          5.50    (#   3937:25  Unique         2.61, 6.40 A)
 &rst
  ixpk= 3937, nxpk= 25, iat=  -1, 122, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1253,1254,1255,1257,1258,1259,
 &end
#
#   76 VAL  MGX           7 VAL  HB          5.50    (#   3938:25  Unique         3.69, 6.76 A)
 &rst
  ixpk= 3938, nxpk= 25, iat=  -1, 122, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1120,1121,1122,1124,1125,1126,
 &end
#
#    7 VAL  HA            7 VAL  HB          3.50    (#   3940:25  Unique         2.26, 2.39 A)
 &rst
  ixpk= 3940, nxpk= 25, iat= 120, 122, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:3941     7 VAL  HB          5.50    (#   3941:25  Single Ambig)
 &rst
  ixpk= 3941, nxpk= 25, iat=  -1, 122, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1151,  83,
 &end
#
#    6 PHE  HN            7 VAL  HB          4.50    (#   3942:25  Unique         3.58, 3.88 A)
 &rst
  ixpk= 3942, nxpk= 25, iat=  98, 122, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   31 ALA  HN            1 MET  HB+         5.50    (#   3943:25  Unique         2.89, 4.95 A)
 &rst
  ixpk= 3943, nxpk= 25, iat= 477,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=   8,   9,
 &end
#
#   97 GLU  HN           96 PHE  HA          4.50    (#   3944:25  Unique         2.21, 2.33 A)
 &rst
  ixpk= 3944, nxpk= 25, iat=1431,1413, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   96 PHE  HD           96 PHE  HA          5.50    (#   3945:25  Unique         2.29, 3.61 A)
 &rst
  ixpk= 3945, nxpk= 25, iat=  -1,1413, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1419,1427,
 &end
#
#   96 PHE  HB+          96 PHE  HA          5.50    (#   3946:25  Unique         2.16, 2.65 A)
 &rst
  ixpk= 3946, nxpk= 25, iat=  -1,1413, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1415,1416,
 &end
#
#   82 SER  HN           83 GLY  HA-         5.50    (#   3947:25  Unique         4.47, 5.20 A)
 &rst
  ixpk= 3947, nxpk= 25, iat=1196,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1209,1210,
 &end
#
#   82 SER  HN           83 GLY  HA+         5.50    (#   3948:25  Unique         4.47, 5.20 A)
 &rst
  ixpk= 3948, nxpk= 25, iat=1196,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1209,1210,
 &end
#
#   85 ASN  HN           83 GLY  HA-         4.50    (#   3949:25  Unique         3.74, 4.42 A)
 &rst
  ixpk= 3949, nxpk= 25, iat=1230,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1209,1210,
 &end
#
#   85 ASN  HN           83 GLY  HA+         4.50    (#   3950:25  Unique         3.74, 4.42 A)
 &rst
  ixpk= 3950, nxpk= 25, iat=1230,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1209,1210,
 &end
#
#   86 LEU  MDX          83 GLY  HA-         5.50    (#   3954:25  Unique         2.61, 6.31 A)
 &rst
  ixpk= 3954, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1253,1254,1255,1257,1258,1259,
 igr2=1209,1210,
 &end
#
#   86 LEU  MDX          83 GLY  HA+         5.50    (#   3955:25  Unique         2.61, 6.31 A)
 &rst
  ixpk= 3955, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1253,1254,1255,1257,1258,1259,
 igr2=1209,1210,
 &end
#
#   84 VAL  MGY          83 GLY  HA-         5.50    (#   3956:25  Unique         3.90, 5.88 A)
 &rst
  ixpk= 3956, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1220,1221,1222,1224,1225,1226,
 igr2=1209,1210,
 &end
#
#   91 VAL  MGX          83 GLY  HA-         5.50    (#   3957:25  Unique         2.28, 5.09 A)
 &rst
  ixpk= 3957, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1336,1337,1338,1340,1341,1342,
 igr2=1209,1210,
 &end
#
#   91 VAL  MGX          83 GLY  HA+         5.50    (#   3958:25  Unique         2.28, 5.09 A)
 &rst
  ixpk= 3958, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1336,1337,1338,1340,1341,1342,
 igr2=1209,1210,
 &end
#
#   55 ILE  HG1+         54 GLY  HA+         5.50    (#   3959:25  Unique         4.23, 5.48 A)
 &rst
  ixpk= 3959, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 823, 824,
 igr2= 808, 809,
 &end
#
#   11 ASN  HD2-         11 ASN  HA          5.50    (#   3960:25  Unique         3.14, 4.23 A)
 &rst
  ixpk= 3960, nxpk= 25, iat=  -1, 192, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 199, 200,
 &end
#
#   50 MET  HA           50 MET  HG-         5.50    (#   3961:25  Unique         2.62, 3.58 A)
 &rst
  ixpk= 3961, nxpk= 25, iat= 745,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 750, 751,
 &end
#
#   17 MET  HG+          50 MET  HG-         5.50    (#   3962:25  Unique         2.17, 3.58 A)
 &rst
  ixpk= 3962, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 285, 286,
 igr2= 750, 751,
 &end
#
#    0 AMB  25-2:3963   103 ASP  HA          4.50    (#   3963:25  Single Ambig)
 &rst
  ixpk= 3963, nxpk= 25, iat=  -1,1535, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1522,1523, 265, 266, 268, 269,
 &end
#
#    5 MET  HA            5 MET  HB-         5.50    (#   3964:25  Unique         2.48, 2.78 A)
 &rst
  ixpk= 3964, nxpk= 25, iat=  83,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  85,  86,
 &end
#
#    0 AMB  25-2:3967     0 AMB  25-1:3967   4.50    (#   3967:25  Double Ambig)
 &rst
  ixpk= 3967, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.42, r4=10.17,
 igr1=1140,1141,1104,1105,1106,1108,1109,1110,1253,1254,
      1255,1257,1258,1259,
 igr2=  85,  86,  85,  86,  85,  86,
 &end
#
#   22 ALA  HN           18 ALA  HA          5.50    (#   3969:25  Unique         3.97, 4.21 A)
 &rst
  ixpk= 3969, nxpk= 25, iat= 347, 297, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   23 LYS  HN           20 GLY  HA+         5.50    (#   3970:25  Unique         3.54, 4.32 A)
 &rst
  ixpk= 3970, nxpk= 25, iat= 357,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 322, 323,
 &end
#
#   25 LEU  HN           23 LYS  HA          5.50    (#   3971:25  Unique         4.76, 4.96 A)
 &rst
  ixpk= 3971, nxpk= 25, iat= 393, 359, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  122 ARG  HN          121 GLU  HA          4.50    (#   3972:25  Unique         3.58, 3.60 A)
 &rst
  ixpk= 3972, nxpk= 25, iat=1831,1818, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:3973   128 ALA  HA          4.50    (#   3973:25  Single Ambig)
 &rst
  ixpk= 3973, nxpk= 25, iat=  -1,1940, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1989,1970,
 &end
#
#   68 PHE  HN           65 ILE  HA          5.50    (#   3975:25  Unique         3.41, 3.67 A)
 &rst
  ixpk= 3975, nxpk= 25, iat= 997, 951, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   98 ASP  HN           78 SER  HB+         5.50    (#   3976:25  Unique         5.06, 6.40 A)
 &rst
  ixpk= 3976, nxpk= 25, iat=1446,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1153,1154,
 &end
#
#   78 SER  HN           78 SER  HB+         3.50    (#   3977:25  Unique         2.34, 3.08 A)
 &rst
  ixpk= 3977, nxpk= 25, iat=1149,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1153,1154,
 &end
#
#    0 AMB  25-2:3978     0 AMB  25-1:3978   5.50    (#   3978:25  Double Ambig)
 &rst
  ixpk= 3978, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1207,1458,
 igr2=1153,1154,1153,1154,
 &end
#
#   86 LEU  MDX          78 SER  HB+         5.50    (#   3980:25  Unique         3.25, 6.46 A)
 &rst
  ixpk= 3980, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1253,1254,1255,1257,1258,1259,
 igr2=1153,1154,
 &end
#
#   44 PRO  HD-          44 PRO  HG+         2.80    (#   3984:25  Unique         2.33, 2.61 A)
 &rst
  ixpk= 3984, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 660, 661,
 igr2= 663, 664,
 &end
#
#   43 HIS  HB-          44 PRO  HG+         5.50    (#   3985:25  Unique         3.70, 5.67 A)
 &rst
  ixpk= 3985, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 646, 647,
 igr2= 663, 664,
 &end
#
#   43 HIS  HA           44 PRO  HG+         4.50    (#   3986:25  Unique         4.43, 4.60 A)
 &rst
  ixpk= 3986, nxpk= 25, iat= 644,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 663, 664,
 &end
#
#  112 PHE  HZ           44 PRO  HG+         5.50    (#   3987:25  Unique         5.67, 6.57 A)
 &rst
  ixpk= 3987, nxpk= 25, iat=1668,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 663, 664,
 &end
#
#   90 TRP  HD1          87 PRO  HB+         4.50    (#   3990:25  Unique         2.24, 3.24 A)
 &rst
  ixpk= 3990, nxpk= 25, iat=1314,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1270,1271,
 &end
#
#   86 LEU  HA           87 PRO  HB+         5.50    (#   3991:25  Unique         4.84, 5.41 A)
 &rst
  ixpk= 3991, nxpk= 25, iat=1246,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1270,1271,
 &end
#
#   90 TRP  HE1          87 PRO  HG+         5.50    (#   3992:25  Unique         2.80, 3.93 A)
 &rst
  ixpk= 3992, nxpk= 25, iat=1316,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1267,1268,
 &end
#
#   84 VAL  HA           84 VAL  MGY         3.50    (#   3993:25  Unique         2.27, 3.48 A)
 &rst
  ixpk= 3993, nxpk= 25, iat=1216,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1220,1221,1222,1224,1225,1226,
 &end
#
#   86 LEU  HA           84 VAL  MGY         5.50    (#   3994:25  Unique         4.86, 7.52 A)
 &rst
  ixpk= 3994, nxpk= 25, iat=1246,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1220,1221,1222,1224,1225,1226,
 &end
#
#   84 VAL  HB           84 VAL  MGY         2.80    (#   3997:25  Unique         2.36, 2.66 A)
 &rst
  ixpk= 3997, nxpk= 25, iat=1218,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1220,1221,1222,1224,1225,1226,
 &end
#
#   86 LEU  HG           84 VAL  MGY         5.50    (#   3999:25  Unique         4.34, 6.83 A)
 &rst
  ixpk= 3999, nxpk= 25, iat=1251,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1220,1221,1222,1224,1225,1226,
 &end
#
#    0 AMB  25-2:4000    63 ASP  HA          4.50    (#   4000:25  Single Ambig)
 &rst
  ixpk= 4000, nxpk= 25, iat=  -1, 925, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 939, 940, 939, 940,
 &end
#
#   63 ASP  HB+          63 ASP  HA          2.80    (#   4001:25  Unique         2.77, 2.90 A)
 &rst
  ixpk= 4001, nxpk= 25, iat=  -1, 925, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 927, 928,
 &end
#
#   64 PRO  HD+          63 ASP  HA          2.80    (#   4002:25  Unique         2.27, 2.64 A)
 &rst
  ixpk= 4002, nxpk= 25, iat=  -1, 925, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 936, 937,
 &end
#
#   64 PRO  HD-          63 ASP  HA          2.80    (#   4003:25  Unique         2.27, 2.64 A)
 &rst
  ixpk= 4003, nxpk= 25, iat=  -1, 925, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 936, 937,
 &end
#
#   63 ASP  HN           63 ASP  HA          3.50    (#   4005:25  Unique         2.80, 2.89 A)
 &rst
  ixpk= 4005, nxpk= 25, iat= 923, 925, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   66 GLU  HN           63 ASP  HB+         5.50    (#   4008:25  Unique         5.73, 6.57 A)
 &rst
  ixpk= 4008, nxpk= 25, iat= 968,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 927, 928,
 &end
#
#   67 ASN  HD2+         63 ASP  HB+         4.50    (#   4009:25  Unique         2.47, 4.66 A)
 &rst
  ixpk= 4009, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 992, 993,
 igr2= 927, 928,
 &end
#
#  118 GLN  HE2+        118 GLN  HA          4.50    (#   4013:25  Unique         4.08, 4.81 A)
 &rst
  ixpk= 4013, nxpk= 25, iat=  -1,1763, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1773,1774,
 &end
#
#    0 AMB  25-2:4023    93 GLN  HA          5.50    (#   4023:25  Single Ambig)
 &rst
  ixpk= 4023, nxpk= 25, iat=  -1,1362, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1415,1416,1069,1070,
 &end
#
#    0 AMB  25-2:4024    93 GLN  HA          5.50    (#   4024:25  Single Ambig)
 &rst
  ixpk= 4024, nxpk= 25, iat=  -1,1362, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1392,1065,
 &end
#
#  101 LEU  HN          100 GLN  HB-         5.50    (#   4026:25  Unique         3.26, 4.36 A)
 &rst
  ixpk= 4026, nxpk= 25, iat=1499,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1486,1487,
 &end
#
#  100 GLN  HN          100 GLN  HA          5.50    (#   4027:25  Unique         2.92, 2.95 A)
 &rst
  ixpk= 4027, nxpk= 25, iat=1482,1484, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  25-2:4031    78 SER  HB-         5.50    (#   4031:25  Single Ambig)
 &rst
  ixpk= 4031, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1=1253,1254,1255,1257,1258,1259, 124, 125, 126, 128,
       129, 130,
 igr2=1153,1154,
 &end
#
#   86 LEU  MDX          78 SER  HB-         4.50    (#   4032:25  Unique         3.25, 6.46 A)
 &rst
  ixpk= 4032, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1253,1254,1255,1257,1258,1259,
 igr2=1153,1154,
 &end
#
#   78 SER  HA           78 SER  HB-         3.50    (#   4037:25  Unique         2.33, 2.75 A)
 &rst
  ixpk= 4037, nxpk= 25, iat=1151,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1153,1154,
 &end
#
#   78 SER  HN           78 SER  HB-         3.50    (#   4039:25  Unique         2.34, 3.08 A)
 &rst
  ixpk= 4039, nxpk= 25, iat=1149,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1153,1154,
 &end
#
#   79 LEU  HA           78 SER  HB-         5.50    (#   4041:25  Unique         4.29, 5.00 A)
 &rst
  ixpk= 4041, nxpk= 25, iat=1162,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1153,1154,
 &end
#
#   11 ASN  HN           11 ASN  HB-         3.50    (#   4054:25  Unique         2.36, 2.74 A)
 &rst
  ixpk= 4054, nxpk= 25, iat= 190,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 194, 195,
 &end
#
#   11 ASN  HD2+         11 ASN  HB-         3.50    (#   4056:25  Unique         2.22, 3.40 A)
 &rst
  ixpk= 4056, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 199, 200,
 igr2= 194, 195,
 &end
#
#   11 ASN  HD2-         11 ASN  HB-         5.50    (#   4057:25  Unique         2.22, 3.40 A)
 &rst
  ixpk= 4057, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 199, 200,
 igr2= 194, 195,
 &end
#
#   11 ASN  HD2-         11 ASN  HB+         5.50    (#   4058:25  Unique         2.22, 3.40 A)
 &rst
  ixpk= 4058, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 199, 200,
 igr2= 194, 195,
 &end
#
#   57 ILE  QG2          16 GLN  HG-         4.50    (#   4064:25  Unique         4.49, 6.33 A)
 &rst
  ixpk= 4064, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 850, 851, 852,
 igr2= 268, 269,
 &end
#
#   16 GLN  HB-          16 GLN  HG-         3.50    (#   4065:25  Unique         2.29, 2.75 A)
 &rst
  ixpk= 4065, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 265, 266,
 igr2= 268, 269,
 &end
#
#   16 GLN  HN           16 GLN  HG+         5.50    (#   4068:25  Unique         2.31, 3.94 A)
 &rst
  ixpk= 4068, nxpk= 25, iat= 261,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 268, 269,
 &end
#
#   16 GLN  HN           16 GLN  HG-         4.50    (#   4069:25  Unique         2.31, 3.94 A)
 &rst
  ixpk= 4069, nxpk= 25, iat= 261,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 268, 269,
 &end
#
#   16 GLN  HN           16 GLN  HA          2.80    (#   4070:25  Unique         2.15, 2.72 A)
 &rst
  ixpk= 4070, nxpk= 25, iat= 261, 263, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   43 HIS  HN           16 GLN  HA          5.50    (#   4071:25  Unique         5.19, 5.54 A)
 &rst
  ixpk= 4071, nxpk= 25, iat= 642, 263, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  25-2:4075    16 GLN  HA          3.50    (#   4075:25  Single Ambig)
 &rst
  ixpk= 4075, nxpk= 25, iat=  -1, 263, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 265, 266, 268, 269,
 &end
#
#   16 GLN  HB-          16 GLN  HA          3.50    (#   4076:25  Unique         2.23, 2.57 A)
 &rst
  ixpk= 4076, nxpk= 25, iat=  -1, 263, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 265, 266,
 &end
#
#   42 VAL  MGY          16 GLN  HA          5.50    (#   4077:25  Unique         2.32, 4.39 A)
 &rst
  ixpk= 4077, nxpk= 25, iat=  -1, 263, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 632, 633, 634, 636, 637, 638,
 &end
#
#   87 PRO  HG-          87 PRO  HB+         3.50    (#   4080:25  Unique         2.36, 2.63 A)
 &rst
  ixpk= 4080, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1267,1268,
 igr2=1270,1271,
 &end
#
#  112 PHE  HD           46 ALA  HA          5.50    (#   4082:25  Unique         2.03, 4.22 A)
 &rst
  ixpk= 4082, nxpk= 25, iat=  -1, 689, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1664,1672,
 &end
#
#   96 PHE  HN           96 PHE  HA          5.50    (#   4083:25  Unique         2.90, 2.94 A)
 &rst
  ixpk= 4083, nxpk= 25, iat=1411,1413, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   20 GLY  HN           16 GLN  HA          5.50    (#   4084:25  Unique         4.20, 5.11 A)
 &rst
  ixpk= 4084, nxpk= 25, iat= 320, 263, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   95 ILE  HG1-         95 ILE  QD1         2.80    (#   4085:25  Unique         2.39, 2.66 A)
 &rst
  ixpk= 4085, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1402,1403,
 igr2=1405,1406,1407,
 &end
#
#   95 ILE  HG1+         95 ILE  QD1         2.80    (#   4086:25  Unique         2.39, 2.66 A)
 &rst
  ixpk= 4086, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1402,1403,
 igr2=1405,1406,1407,
 &end
#
#   95 ILE  HB           95 ILE  QD1         2.80    (#   4087:25  Unique         2.46, 3.10 A)
 &rst
  ixpk= 4087, nxpk= 25, iat=1396,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1405,1406,1407,
 &end
#
#   97 GLU  HG+          95 ILE  QD1         3.50    (#   4088:25  Unique         2.31, 3.90 A)
 &rst
  ixpk= 4088, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1438,1439,
 igr2=1405,1406,1407,
 &end
#
#  126 LEU  HB+          95 ILE  QD1         4.50    (#   4089:25  Unique         4.40, 5.90 A)
 &rst
  ixpk= 4089, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1904,1905,
 igr2=1405,1406,1407,
 &end
#
#  129 LYS  HE+          95 ILE  QD1         4.50    (#   4091:25  Unique         2.42, 4.93 A)
 &rst
  ixpk= 4091, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1961,1962,
 igr2=1405,1406,1407,
 &end
#
#   95 ILE  HA           95 ILE  QD1         4.50    (#   4092:25  Unique         4.02, 4.57 A)
 &rst
  ixpk= 4092, nxpk= 25, iat=1394,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1405,1406,1407,
 &end
#
#    0 AMB  25-2:4093    95 ILE  QD1         4.50    (#   4093:25  Single Ambig)
 &rst
  ixpk= 4093, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1972,1100,
 igr2=1405,1406,1407,
 &end
#
#  126 LEU  HN           95 ILE  QD1         5.50    (#   4094:25  Unique         6.18, 6.82 A)
 &rst
  ixpk= 4094, nxpk= 25, iat=1900,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1405,1406,1407,
 &end
#
#   96 PHE  HN           95 ILE  QD1         5.50    (#   4095:25  Unique         4.52, 5.00 A)
 &rst
  ixpk= 4095, nxpk= 25, iat=1411,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1405,1406,1407,
 &end
#
#   95 ILE  HN           95 ILE  QD1         5.50    (#   4096:25  Unique         5.53, 5.97 A)
 &rst
  ixpk= 4096, nxpk= 25, iat=1392,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1405,1406,1407,
 &end
#
#    0 AMB  25-2:4097    95 ILE  QD1         5.50    (#   4097:25  Single Ambig)
 &rst
  ixpk= 4097, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1970,1431,
 igr2=1405,1406,1407,
 &end
#
#   39 SER  HB+          11 ASN  HB+         4.50    (#   4098:25  Unique         2.20, 4.18 A)
 &rst
  ixpk= 4098, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 584, 585,
 igr2= 194, 195,
 &end
#
#   98 ASP  HN           77 ILE  QG2         5.50    (#   4100:25  Unique         3.74, 5.08 A)
 &rst
  ixpk= 4100, nxpk= 25, iat=1446,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1136,1137,1138,
 &end
#
#  120 LYS  HB+         120 LYS  HE-         5.50    (#   4102:25  Unique         4.29, 4.59 A)
 &rst
  ixpk= 4102, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1798,1799,
 igr2=1807,1808,
 &end
#
#   23 LYS  HN           23 LYS  HD-         5.50    (#   4128:25  Unique         2.16, 4.60 A)
 &rst
  ixpk= 4128, nxpk= 25, iat= 357,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 367, 368,
 &end
#
#   23 LYS  HN           23 LYS  HD+         5.50    (#   4129:25  Unique         2.16, 4.60 A)
 &rst
  ixpk= 4129, nxpk= 25, iat= 357,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 367, 368,
 &end
#
#   60 GLN  HE2-         60 GLN  HG+         5.50    (#   4132:25  Unique         2.22, 3.47 A)
 &rst
  ixpk= 4132, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 893, 894,
 igr2= 888, 889,
 &end
#
#   70 ALA  HA           69 ASN  HB+         4.50    (#   4135:25  Unique         4.73, 5.38 A)
 &rst
  ixpk= 4135, nxpk= 25, iat=1033,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1021,1022,
 &end
#
#   71 ASP  HB+          69 ASN  HB+         3.50    (#   4136:25  Unique         3.51, 4.73 A)
 &rst
  ixpk= 4136, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1045,1046,
 igr2=1021,1022,
 &end
#
#   90 TRP  HN           89 GLU  HA          3.50    (#   4137:25  Unique         3.36, 3.45 A)
 &rst
  ixpk= 4137, nxpk= 25, iat=1306,1293, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:4141     0 AMB  25-1:4141   5.50    (#   4141:25  Double Ambig)
 &rst
  ixpk= 4141, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 379, 893, 894,
 igr2= 367, 368, 367, 368,
 &end
#
#   91 VAL  HA           96 PHE  HB-         4.50    (#   4142:25  Unique         2.96, 4.10 A)
 &rst
  ixpk= 4142, nxpk= 25, iat=1332,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1415,1416,
 &end
#
#  127 ILE  HA           30 ILE  QG2         5.50    (#   4143:25  Unique         4.73, 5.59 A)
 &rst
  ixpk= 4143, nxpk= 25, iat=1921,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 464, 465, 466,
 &end
#
#   42 VAL  MGY          16 GLN  HG+         5.50    (#   4145:25  Unique         2.48, 5.87 A)
 &rst
  ixpk= 4145, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 632, 633, 634, 636, 637, 638,
 igr2= 268, 269,
 &end
#
#   42 VAL  MGY          16 GLN  HG-         5.50    (#   4146:25  Unique         2.48, 5.87 A)
 &rst
  ixpk= 4146, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 632, 633, 634, 636, 637, 638,
 igr2= 268, 269,
 &end
#
#  121 GLU  HG+         125 ASN  HB+         4.50    (#   4147:25  Unique         3.83, 5.04 A)
 &rst
  ixpk= 4147, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1823,1824,
 igr2=1890,1891,
 &end
#
#    0 AMB  25-2:4148     0 AMB  25-1:4148   5.50    (#   4148:25  Double Ambig)
 &rst
  ixpk= 4148, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1= 750, 751,1563,1564,
 igr2= 282, 283,1585,1586,
 &end
#
#  103 ASP  HB+          16 GLN  HG+         5.50    (#   4155:25  Unique         5.21, 7.10 A)
 &rst
  ixpk= 4155, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1537,1538,
 igr2= 268, 269,
 &end
#
#    0 AMB  25-2:4167   116 ARG  HD-         5.50    (#   4167:25  Single Ambig)
 &rst
  ixpk= 4167, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 743, 813,
 igr2=1740,1741,
 &end
#
#  127 ILE  HA           29 LYS  HD+         5.50    (#   4168:25  Unique         5.05, 5.84 A)
 &rst
  ixpk= 4168, nxpk= 25, iat=1921,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 446, 447,
 &end
#
#   36 GLY  HN            7 VAL  MGY         5.50    (#   4169:25  Unique         2.68, 6.98 A)
 &rst
  ixpk= 4169, nxpk= 25, iat= 539,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 124, 125, 126, 128, 129, 130,
 &end
#
#   37 LEU  HN            7 VAL  MGX         5.50    (#   4170:25  Unique         4.02, 6.88 A)
 &rst
  ixpk= 4170, nxpk= 25, iat= 546,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 124, 125, 126, 128, 129, 130,
 &end
#
#    7 VAL  HN            7 VAL  HB          5.50    (#   4171:25  Unique         2.26, 3.33 A)
 &rst
  ixpk= 4171, nxpk= 25, iat= 118, 122, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   14 ARG  HA           14 ARG  HB-         2.80    (#   4172:25  Unique         2.36, 2.78 A)
 &rst
  ixpk= 4172, nxpk= 25, iat= 228,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 230, 231,
 &end
#
#   14 ARG  HG+          14 ARG  HB-         3.50    (#   4175:25  Unique         2.25, 2.71 A)
 &rst
  ixpk= 4175, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 233, 234,
 igr2= 230, 231,
 &end
#
#   53 VAL  MGX          50 MET  HA          4.50    (#   4187:25  Unique         2.24, 4.32 A)
 &rst
  ixpk= 4187, nxpk= 25, iat=  -1, 745, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 796, 797, 798, 800, 801, 802,
 &end
#
#   43 HIS  HA           46 ALA  MB          5.50    (#   4188:25  Unique         4.65, 5.54 A)
 &rst
  ixpk= 4188, nxpk= 25, iat= 644,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 691, 692, 693,
 &end
#
#   76 VAL  MGX           6 PHE  HA          4.50    (#   4190:25  Unique         4.61, 6.57 A)
 &rst
  ixpk= 4190, nxpk= 25, iat=  -1, 100, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1120,1121,1122,1124,1125,1126,
 &end
#
#    6 PHE  HD            6 PHE  HA          4.50    (#   4194:25  Unique         3.14, 3.67 A)
 &rst
  ixpk= 4194, nxpk= 25, iat=  -1, 100, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 106, 114,
 &end
#
#   91 VAL  MGY          92 THR  MG2         3.50    (#   4205:25  Unique         2.35, 6.07 A)
 &rst
  ixpk= 4205, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1336,1337,1338,1340,1341,1342,
 igr2=1352,1353,1354,
 &end
#
#   88 PRO  HB-          92 THR  MG2         4.50    (#   4206:25  Unique         3.22, 4.76 A)
 &rst
  ixpk= 4206, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1284,1285,
 igr2=1352,1353,1354,
 &end
#
#   88 PRO  HB+          92 THR  MG2         3.50    (#   4207:25  Unique         3.22, 4.76 A)
 &rst
  ixpk= 4207, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1284,1285,
 igr2=1352,1353,1354,
 &end
#
#   90 TRP  HB+          92 THR  MG2         5.50    (#   4208:25  Unique         6.36, 7.81 A)
 &rst
  ixpk= 4208, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1310,1311,
 igr2=1352,1353,1354,
 &end
#
#   93 GLN  HE2+         92 THR  MG2         5.50    (#   4209:25  Unique         3.86, 6.52 A)
 &rst
  ixpk= 4209, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1372,1373,
 igr2=1352,1353,1354,
 &end
#
#   93 GLN  HE2-         92 THR  MG2         5.50    (#   4210:25  Unique         3.86, 6.52 A)
 &rst
  ixpk= 4210, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1372,1373,
 igr2=1352,1353,1354,
 &end
#
#   93 GLN  HN           92 THR  MG2         5.50    (#   4211:25  Unique         4.19, 5.08 A)
 &rst
  ixpk= 4211, nxpk= 25, iat=1360,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1352,1353,1354,
 &end
#
#   90 TRP  HH2           5 MET  ME          3.50    (#   4212:25  Unique         2.45, 3.12 A)
 &rst
  ixpk= 4212, nxpk= 25, iat=1321,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=  92,  93,  94,
 &end
#
#   76 VAL  MGX           5 MET  ME          3.50    (#   4213:25  Unique         4.17, 6.41 A)
 &rst
  ixpk= 4213, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1120,1121,1122,1124,1125,1126,
 igr2=  92,  93,  94,
 &end
#
#    5 MET  HG+           5 MET  ME          4.50    (#   4214:25  Unique         2.43, 3.23 A)
 &rst
  ixpk= 4214, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=  88,  89,
 igr2=  92,  93,  94,
 &end
#
#    0 AMB  25-2:4215     5 MET  ME          5.50    (#   4215:25  Single Ambig)
 &rst
  ixpk= 4215, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1=1057,1058,1118,
 igr2=  92,  93,  94,
 &end
#
#    0 AMB  25-2:4216     5 MET  ME          5.50    (#   4216:25  Single Ambig)
 &rst
  ixpk= 4216, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=  85,  86, 927, 928,
 igr2=  92,  93,  94,
 &end
#
#   33 THR  HB            5 MET  ME          4.50    (#   4217:25  Unique         2.34, 3.62 A)
 &rst
  ixpk= 4217, nxpk= 25, iat= 507,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=  92,  93,  94,
 &end
#
#   65 ILE  HA            5 MET  ME          5.50    (#   4218:25  Unique         3.93, 5.10 A)
 &rst
  ixpk= 4218, nxpk= 25, iat= 951,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=  92,  93,  94,
 &end
#
#   33 THR  HA            5 MET  ME          5.50    (#   4219:25  Unique         4.99, 6.32 A)
 &rst
  ixpk= 4219, nxpk= 25, iat= 505,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=  92,  93,  94,
 &end
#
#   35 SER  HA            5 MET  ME          5.50    (#   4221:25  Unique         4.51, 5.90 A)
 &rst
  ixpk= 4221, nxpk= 25, iat= 530,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=  92,  93,  94,
 &end
#
#   35 SER  HN            5 MET  ME          4.50    (#   4222:25  Unique         2.79, 4.04 A)
 &rst
  ixpk= 4222, nxpk= 25, iat= 528,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=  92,  93,  94,
 &end
#
#   90 TRP  HE3           5 MET  ME          5.50    (#   4223:25  Unique         3.85, 4.98 A)
 &rst
  ixpk= 4223, nxpk= 25, iat=1325,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=  92,  93,  94,
 &end
#
#   17 MET  HN           17 MET  ME          5.50    (#   4224:25  Unique         3.59, 5.55 A)
 &rst
  ixpk= 4224, nxpk= 25, iat= 278,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 289, 290, 291,
 &end
#
#   84 VAL  HN           84 VAL  HA          4.50    (#   4225:25  Unique         2.86, 2.92 A)
 &rst
  ixpk= 4225, nxpk= 25, iat=1214,1216, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   82 SER  HN           84 VAL  HA          5.50    (#   4226:25  Unique         3.98, 5.01 A)
 &rst
  ixpk= 4226, nxpk= 25, iat=1196,1216, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   85 ASN  HN           84 VAL  HA          5.50    (#   4227:25  Unique         2.27, 2.43 A)
 &rst
  ixpk= 4227, nxpk= 25, iat=1230,1216, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   84 VAL  HB           84 VAL  HA          2.80    (#   4230:25  Unique         2.36, 2.50 A)
 &rst
  ixpk= 4230, nxpk= 25, iat=1218,1216, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   85 ASN  HB-          84 VAL  HA          5.50    (#   4234:25  Unique         4.26, 4.60 A)
 &rst
  ixpk= 4234, nxpk= 25, iat=  -1,1216, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1234,1235,
 &end
#
#   44 PRO  HD+          44 PRO  HB+         4.50    (#   4238:25  Unique         2.65, 3.65 A)
 &rst
  ixpk= 4238, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 660, 661,
 igr2= 666, 667,
 &end
#
#   45 THR  MG2          44 PRO  HB+         5.50    (#   4240:25  Unique         4.68, 7.16 A)
 &rst
  ixpk= 4240, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 679, 680, 681,
 igr2= 666, 667,
 &end
#
#    0 AMB  25-2:4241     5 MET  ME          5.50    (#   4241:25  Single Ambig)
 &rst
  ixpk= 4241, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1069,1070,  85,  86,
 igr2=  92,  93,  94,
 &end
#
#   45 THR  HN           45 THR  HA          5.50    (#   4242:25  Unique         2.24, 2.76 A)
 &rst
  ixpk= 4242, nxpk= 25, iat= 673, 675, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   58 SER  HN           57 ILE  QG2         5.50    (#   4244:25  Unique         4.75, 5.37 A)
 &rst
  ixpk= 4244, nxpk= 25, iat= 863,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 850, 851, 852,
 &end
#
#   55 ILE  HA           57 ILE  QG2         5.50    (#   4246:25  Unique         4.68, 5.87 A)
 &rst
  ixpk= 4246, nxpk= 25, iat= 815,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 850, 851, 852,
 &end
#
#   57 ILE  HG1-         57 ILE  QG2         2.80    (#   4248:25  Unique         2.41, 3.54 A)
 &rst
  ixpk= 4248, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 854, 855,
 igr2= 850, 851, 852,
 &end
#
#   35 SER  HA           33 THR  MG2         4.50    (#   4250:25  Unique         3.44, 4.90 A)
 &rst
  ixpk= 4250, nxpk= 25, iat= 530,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 509, 510, 511,
 &end
#
#   43 HIS  HB+          44 PRO  HG+         5.50    (#   4251:25  Unique         3.70, 5.67 A)
 &rst
  ixpk= 4251, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 646, 647,
 igr2= 663, 664,
 &end
#
#   55 ILE  QG2          57 ILE  HA          5.50    (#   4252:25  Unique         4.15, 5.02 A)
 &rst
  ixpk= 4252, nxpk= 25, iat=  -1, 846, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 819, 820, 821,
 &end
#
#   88 PRO  HA           88 PRO  HD+         4.50    (#   4254:25  Unique         3.43, 3.76 A)
 &rst
  ixpk= 4254, nxpk= 25, iat=1287,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1278,1279,
 &end
#
#    0 AMB  25-2:4255     0 AMB  25-1:4255   5.50    (#   4255:25  Double Ambig)
 &rst
  ixpk= 4255, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 743,1098,
 igr2= 703, 704, 705,1976,1977,1978,
 &end
#
#   77 ILE  HB           79 LEU  HG          4.50    (#   4267:25  Unique         3.42, 4.16 A)
 &rst
  ixpk= 4267, nxpk= 25, iat=1134,1167, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:4268    17 MET  HG-         5.50    (#   4268:25  Single Ambig)
 &rst
  ixpk= 4268, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.06, r4= 9.81,
 igr1= 265, 266,1784,1785,1786,1788,1789,1790,1549,1550,
      
 igr2= 285, 286,
 &end
#
#  101 LEU  HG          122 ARG  HD+         4.50    (#   4269:25  Unique         4.22, 5.41 A)
 &rst
  ixpk= 4269, nxpk= 25, iat=1506,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1841,1842,
 &end
#
#   18 ALA  HA           21 PHE  HB-         5.50    (#   4270:25  Unique         2.80, 4.01 A)
 &rst
  ixpk= 4270, nxpk= 25, iat= 297,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 331, 332,
 &end
#
#   26 GLY  HA-          30 ILE  QD1         3.50    (#   4271:25  Unique         2.33, 3.85 A)
 &rst
  ixpk= 4271, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 414, 415,
 igr2= 471, 472, 473,
 &end
#
#    8 CYS  HN           79 LEU  HG          5.50    (#   4275:25  Unique         5.14, 5.52 A)
 &rst
  ixpk= 4275, nxpk= 25, iat= 134,1167, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   18 ALA  HN          123 VAL  MGX         5.50    (#   4292:25  Unique         4.01, 6.75 A)
 &rst
  ixpk= 4292, nxpk= 25, iat= 295,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1861,1862,1863,1865,1866,1867,
 &end
#
#    6 PHE  HN           34 SER  HA          5.50    (#   4293:25  Unique         2.11, 2.53 A)
 &rst
  ixpk= 4293, nxpk= 25, iat=  98, 519, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   78 SER  HN           98 ASP  HA          4.50    (#   4294:25  Unique         2.77, 3.37 A)
 &rst
  ixpk= 4294, nxpk= 25, iat=1149,1448, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:4297   101 LEU  MDX         5.50    (#   4297:25  Single Ambig)
 &rst
  ixpk= 4297, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1778,1458,
 igr2=1508,1509,1510,1512,1513,1514,
 &end
#
#    0 AMB  25-2:4298    48 ALA  MB          5.50    (#   4298:25  Single Ambig)
 &rst
  ixpk= 4298, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 673, 743,
 igr2= 720, 721, 722,
 &end
#
#   51 GLU  HN           49 MET  HA          5.50    (#   4300:25  Unique         4.42, 4.58 A)
 &rst
  ixpk= 4300, nxpk= 25, iat= 760, 728, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   48 ALA  MB           51 GLU  HB-         4.50    (#   1666:25  Double Ambig)
 &rst
  ixpk= 1666, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 720, 721, 722,
 igr2= 764, 765,
 &end
#
#   68 PHE  HE           33 THR  MG2         3.50    (#    255:25  Double Ambig)
 &rst
  ixpk= 255, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1007,1011,
 igr2= 509, 510, 511,
 &end
#
#   48 ALA  HA           51 GLU  HB-         2.80    (#    406:25  Double Ambig)
 &rst
  ixpk= 406, nxpk= 25, iat= 718,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 764, 765,
 &end
#
#   55 ILE  HG1-         55 ILE  HA          3.50    (#    541:25  Double Ambig)
 &rst
  ixpk= 541, nxpk= 25, iat=  -1, 815, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 823, 824,
 &end
#
#  111 VAL  MGY         110 GLU  HB+         3.50    (#    632:25  Unique         2.47, 5.06 A)
 &rst
  ixpk= 632, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1646,1647,1648,1650,1651,1652,
 igr2=1629,1630,
 &end
#
#   41 ARG  HD+          41 ARG  HG-         3.50    (#    660:25  Double Ambig)
 &rst
  ixpk= 660, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 612, 613,
 igr2= 609, 610,
 &end
#
#   41 ARG  HD+          41 ARG  HG+         3.50    (#    661:25  Double Ambig)
 &rst
  ixpk= 661, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 612, 613,
 igr2= 609, 610,
 &end
#
#   95 ILE  HA           96 PHE  HB+         5.50    (#    784:25  Double Ambig)
 &rst
  ixpk= 784, nxpk= 25, iat=1394,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1415,1416,
 &end
#
#   25 LEU  HA           25 LEU  HG          3.50    (#   1088:25  Double Ambig)
 &rst
  ixpk= 1088, nxpk= 25, iat= 395, 400, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   21 PHE  HD           25 LEU  MDX         4.50    (#   1099:25  Double Ambig)
 &rst
  ixpk= 1099, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 335, 343,
 igr2= 402, 403, 404, 406, 407, 408,
 &end
#
#   29 LYS  HN           26 GLY  HA+         5.50    (#   1125:25  Double Ambig)
 &rst
  ixpk= 1125, nxpk= 25, iat= 436,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 414, 415,
 &end
#
#   29 LYS  HG+          27 ALA  HA          5.50    (#   1133:25  Double Ambig)
 &rst
  ixpk= 1133, nxpk= 25, iat=  -1, 421, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 443, 444,
 &end
#
#   38 GLU  HN           38 GLU  HB+         3.50    (#   1374:25  Single Ambig)
 &rst
  ixpk= 1374, nxpk= 25, iat= 565,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 569, 570,
 &end
#
#   38 GLU  HN           38 GLU  HG+         3.50    (#   1378:25  Double Ambig)
 &rst
  ixpk= 1378, nxpk= 25, iat= 565,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 572, 573,
 &end
#
#   67 ASN  HN           66 GLU  HG-         3.50    (#   1382:25  Double Ambig)
 &rst
  ixpk= 1382, nxpk= 25, iat= 983,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 975, 976,
 &end
#
#   15 SER  HN           14 ARG  HB+         4.50    (#   1393:25  Double Ambig)
 &rst
  ixpk= 1393, nxpk= 25, iat= 250,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 230, 231,
 &end
#
#   51 GLU  HA           51 GLU  HB-         2.80    (#   1668:25  Double Ambig)
 &rst
  ixpk= 1668, nxpk= 25, iat= 762,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 764, 765,
 &end
#
#   54 GLY  HN           51 GLU  HB-         5.50    (#   1671:25  Double Ambig)
 &rst
  ixpk= 1671, nxpk= 25, iat= 806,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 764, 765,
 &end
#
#   57 ILE  QG2          55 ILE  HA          5.50    (#   1735:25  Single Ambig)
 &rst
  ixpk= 1735, nxpk= 25, iat=  -1, 815, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 850, 851, 852,
 &end
#
#   55 ILE  HN           55 ILE  QD1         4.50    (#   1762:25  Double Ambig)
 &rst
  ixpk= 1762, nxpk= 25, iat= 813,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 826, 827, 828,
 &end
#
#   75 VAL  HN           73 TYR  HB+         4.50    (#   1980:25  Double Ambig)
 &rst
  ixpk= 1980, nxpk= 25, iat=1098,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1069,1070,
 &end
#
#   76 VAL  MGY          73 TYR  HB+         3.50    (#   1985:25  Unique         1.83, 4.23 A)
 &rst
  ixpk= 1985, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1120,1121,1122,1124,1125,1126,
 igr2=1069,1070,
 &end
#
#   93 GLN  HN           93 GLN  HG+         3.50    (#   2347:25  Double Ambig)
 &rst
  ixpk= 2347, nxpk= 25, iat=1360,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1367,1368,
 &end
#
#   55 ILE  QD1          25 LEU  HG          5.50    (#   2475:25  Double Ambig)
 &rst
  ixpk= 2475, nxpk= 25, iat=  -1, 400, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 826, 827, 828,
 &end
#
#    0 AMB  25-2:2530   102 GLU  HA          2.80    (#   2530:25  Double Ambig)
 &rst
  ixpk= 2530, nxpk= 25, iat=  -1,1520, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1525,1526,1525,1526,
 &end
#
#  102 GLU  HA          102 GLU  HB-         2.80    (#   2532:25  Double Ambig)
 &rst
  ixpk= 2532, nxpk= 25, iat=1520,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1522,1523,
 &end
#
#  107 GLN  HE2-        107 GLN  HG-         3.50    (#   2642:25  Double Ambig)
 &rst
  ixpk= 2642, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1590,1591,
 igr2=1585,1586,
 &end
#
#  109 LEU  HB-         109 LEU  MDY         3.50    (#   2691:25  Double Ambig)
 &rst
  ixpk= 2691, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1610,1611,
 igr2=1615,1616,1617,1619,1620,1621,
 &end
#
#  113 ARG  HD-         110 GLU  HB+         5.50    (#   2697:25  Double Ambig)
 &rst
  ixpk= 2697, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1686,1687,
 igr2=1629,1630,
 &end
#
#    0 AMB  25-2:2766     0 AMB  25-1:2766   5.50    (#   2766:25  Double Ambig)
 &rst
  ixpk= 2766, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1=1890,1891,1807,1808,
 igr2=1875,1876,1820,1821,
 &end
#
#  113 ARG  HA          113 ARG  HG-         3.50    (#   2773:25  Double Ambig)
 &rst
  ixpk= 2773, nxpk= 25, iat=1678,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1683,1684,
 &end
#
#    0 AMB  25-2:2927     0 AMB  25-1:2927   3.50    (#   2927:25  Double Ambig)
 &rst
  ixpk= 2927, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
 igr1=1508,1509,1510,1512,1513,1514,1220,1221,1222,1224,
      1225,1226,1720,1721,1722,1724,1725,1726,1720,1721,
      1722,1724,1725,1726,
 igr2=1763,1181,
 &end
#
#    0 AMB  25-2:2982   119 VAL  MGX         4.50    (#   2982:25  Double Ambig)
 &rst
  ixpk= 2982, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1794,1499,
 igr2=1784,1785,1786,1788,1789,1790,
 &end
#
#   22 ALA  HN          119 VAL  MGX         5.50    (#   2986:25  Single Ambig)
 &rst
  ixpk= 2986, nxpk= 25, iat= 347,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1784,1785,1786,1788,1789,1790,
 &end
#
#  121 GLU  HA          121 GLU  HB-         2.80    (#   3070:25  Single Ambig)
 &rst
  ixpk= 3070, nxpk= 25, iat=1818,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1820,1821,
 &end
#
#  120 LYS  HB-         121 GLU  HB-         3.50    (#   3072:25  Unique         2.22, 2.64 A)
 &rst
  ixpk= 3072, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1798,1799,
 igr2=1820,1821,
 &end
#
#    0 AMB  25-2:3203    30 ILE  HG1+        5.50    (#   3203:25  Double Ambig)
 &rst
  ixpk= 3203, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=  11,  12,  11,  12,
 igr2= 468, 469,
 &end
#
#   39 SER  HN           38 GLU  HG+         5.50    (#   3629:25  Double Ambig)
 &rst
  ixpk= 3629, nxpk= 25, iat= 580,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 572, 573,
 &end
#
#   42 VAL  MGY          41 ARG  HG+         3.50    (#   3641:25  Double Ambig)
 &rst
  ixpk= 3641, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 632, 633, 634, 636, 637, 638,
 igr2= 609, 610,
 &end
#
#   42 VAL  MGY          41 ARG  HG-         2.80    (#   3642:25  Double Ambig)
 &rst
  ixpk= 3642, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 632, 633, 634, 636, 637, 638,
 igr2= 609, 610,
 &end
#
#   47 ILE  HA           48 ALA  HA          5.50    (#   3661:25  Double Ambig)
 &rst
  ixpk= 3661, nxpk= 25, iat= 699, 718, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   90 TRP  HE3          76 VAL  HB          5.50    (#   3728:25  Double Ambig)
 &rst
  ixpk= 3728, nxpk= 25, iat=1325,1118, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   18 ALA  HN          119 VAL  MGX         4.50    (#   3891:25  Double Ambig)
 &rst
  ixpk= 3891, nxpk= 25, iat= 295,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1784,1785,1786,1788,1789,1790,
 &end
#
#    0 AMB  25-2:4192     6 PHE  HA          5.50    (#   4192:25  Double Ambig)
 &rst
  ixpk= 4192, nxpk= 25, iat=  -1, 100, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 309, 310,1435,1436,
 &end
#
#  121 GLU  HN          121 GLU  HG-         4.50    (#   1384:25  Double Ambig)
 &rst
  ixpk= 1384, nxpk= 25, iat=1816,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1823,1824,
 &end
#
#   20 GLY  HA+          53 VAL  MGX         5.50    (#   1719:25  Single Ambig)
 &rst
  ixpk= 1719, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 322, 323,
 igr2= 796, 797, 798, 800, 801, 802,
 &end
#
#   53 VAL  MGX          20 GLY  HA+         5.50    (#   3574:25  Double Ambig)
 &rst
  ixpk= 3574, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 796, 797, 798, 800, 801, 802,
 igr2= 322, 323,
 &end
#
#    0 AMB  25-2:4191     6 PHE  HA          4.50    (#   4191:25  Double Ambig)
 &rst
  ixpk= 4191, nxpk= 25, iat=  -1, 100, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 122, 233, 234,
 &end
#
#    0 AMB  25-2:4296    87 PRO  HA          4.50    (#   4296:25  Double Ambig)
 &rst
  ixpk= 4296, nxpk= 25, iat=  -1,1273, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1251,1295,1296,
 &end
#
#   33 THR  HN           33 THR  HG2         4.50    (#   1269:25  Unique         2.00, 4.61 A)
 &rst
  ixpk= 1269, nxpk= 25, iat= 503,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 509, 510, 511,
 &end
#
#   92 THR  HN           88 PRO  HA          4.50    (#   4301:25  Unique         3.40, 3.54 A)
 &rst
  ixpk= 4301, nxpk= 25, iat=1346,1287, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   91 VAL  HN           89 GLU  HA          4.50    (#   4302:25  Single Ambig)
 &rst
  ixpk= 4302, nxpk= 25, iat=1330,1293, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   91 VAL  HN           90 TRP  HA          3.50    (#   4303:25  Single Ambig)
 &rst
  ixpk= 4303, nxpk= 25, iat=1330,1308, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   92 THR  HN           90 TRP  HA          4.50    (#   4304:25  Single Ambig)
 &rst
  ixpk= 4304, nxpk= 25, iat=1346,1308, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   35 SER  HN           35 SER  HA          4.50    (#   4306:25  Single Ambig)
 &rst
  ixpk= 4306, nxpk= 25, iat= 528, 530, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   47 ILE  HN           46 ALA  HA          3.50    (#   4307:25  Unique         2.77, 2.86 A)
 &rst
  ixpk= 4307, nxpk= 25, iat= 697, 689, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   48 ALA  HN           46 ALA  HA          4.50    (#   4308:25  Unique         2.77, 2.86 A)
 &rst
  ixpk= 4308, nxpk= 25, iat= 716, 689, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   50 MET  HN           46 ALA  HA          5.50    (#   4309:25  Unique         2.77, 2.86 A)
 &rst
  ixpk= 4309, nxpk= 25, iat= 743, 689, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   48 ALA  HN           47 ILE  HA          3.50    (#   4310:25  Unique         2.77, 2.86 A)
 &rst
  ixpk= 4310, nxpk= 25, iat= 716, 699, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   48 ALA  HN           48 ALA  HA          2.80    (#   4311:25  Unique         2.77, 2.86 A)
 &rst
  ixpk= 4311, nxpk= 25, iat= 716, 718, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   50 MET  HN           48 ALA  HA          5.50    (#   4312:25  Single Ambig)
 &rst
  ixpk= 4312, nxpk= 25, iat= 743, 718, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   51 GLU  HN           48 ALA  HA          3.50    (#   4313:25  Double Ambig)
 &rst
  ixpk= 4313, nxpk= 25, iat= 760, 718, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   54 GLY  HN           51 GLU  HA          3.50    (#   4314:25  Unique         3.51, 3.53 A)
 &rst
  ixpk= 4314, nxpk= 25, iat= 806, 762, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   47 ILE  HN           46 ALA  MB          3.50    (#   4315:25  Unique         2.45, 3.36 A)
 &rst
  ixpk= 4315, nxpk= 25, iat= 697,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 691, 692, 693,
 &end
#
#   51 GLU  HN           50 MET  HB+         4.50    (#   4316:25  Unique         2.96, 3.68 A)
 &rst
  ixpk= 4316, nxpk= 25, iat= 760,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 747, 748,
 &end
#
#   51 GLU  HN           50 MET  HB-         4.50    (#   4317:25  Unique         2.96, 3.68 A)
 &rst
  ixpk= 4317, nxpk= 25, iat= 760,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 747, 748,
 &end
#
#   73 TYR  HN           72 ASP  HA          3.50    (#   4318:25  Single Ambig)
 &rst
  ixpk= 4318, nxpk= 25, iat=1065,1055, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   92 THR  HN           89 GLU  HA          4.50    (#   2220:25  Single Ambig)
 &rst
  ixpk= 2220, nxpk= 25, iat=1346,1293, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   70 ALA  HN           71 ASP  HA          4.50    (#   4299:25  Double Ambig)
 &rst
  ixpk= 4299, nxpk= 25, iat=1031,1043, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   72 ASP  HN           72 ASP  HA          2.80    (#     89:25  Single Ambig)
 &rst
  ixpk= 89, nxpk= 25, iat=1053,1055, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   71 ASP  HN           70 ALA  MB          3.50    (#   1952:25   2.82   3.72)
 &rst
  ixpk= 1952, nxpk= 25, iat=1041,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1035,1036,1037,
 &end
#
#   72 ASP  HN           72 ASP  HB+         2.80    (#    130:25   2.45   2.55)
 &rst
  ixpk= 130, nxpk= 25, iat=1053,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1057,1058,
 &end
#
#   72 ASP  HN           72 ASP  HB-         3.50    (#    131:25   2.45   2.55)
 &rst
  ixpk= 131, nxpk= 25, iat=1053,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1057,1058,
 &end
#
#   46 ALA  HN           46 ALA  HA          3.50    (#     84:25   2.78   2.84)
 &rst
  ixpk= 84, nxpk= 25, iat= 687, 689, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   21 PHE  HZ          119 VAL  MGX         5.50    (#    253:25   4.19   7.10)
 &rst
  ixpk= 253, nxpk= 25, iat= 339,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1784,1785,1786,1788,1789,1790,
 &end
#
#   90 TRP  HE3          70 ALA  MB          3.50    (#   4319:25   3.12   4.00)
 &rst
  ixpk= 4319, nxpk= 25, iat=1325,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1035,1036,1037,
 &end
#
#   73 TYR  HN           72 ASP  HB+         3.50    (#   4320:25   0.00   0.00)
 &rst
  ixpk= 4320, nxpk= 25, iat=1065,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1057,1058,
 &end
#
#   73 TYR  HN           72 ASP  HB-         2.80    (#   4321:25   0.00   0.00  )
 &rst
  ixpk= 4321, nxpk= 25, iat=1065,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1057,1058,
 &end
#
#   73 TYR  HN           71 ASP  HA          4.50    (#   4322:25   0.00   0.00)
 &rst
  ixpk= 4322, nxpk= 25, iat=1065,1043, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   14 ARG  HE           80 CYS  HA          5.50    (#   4323:25   0.00   0.00)
 &rst
  ixpk= 4323, nxpk= 25, iat= 239,1181, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   14 ARG  HA           14 ARG  HG+         3.50    (#   4330:25  Unique         2.28, 2.69 A)
 &rst
  ixpk= 4330, nxpk= 25, iat= 228,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 233, 234,
 &end
#
#   34 SER  HB+          34 SER  HA          2.80    (#   4331:25  Unique         2.32, 2.70 A)
 &rst
  ixpk= 4331, nxpk= 25, iat=  -1, 519, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 521, 522,
 &end
#
#   33 THR  HB           34 SER  HA          4.50    (#   4332:25  Unique         2.32, 2.70 A)
 &rst
  ixpk= 4332, nxpk= 25, iat= 507, 519, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   35 SER  HN           34 SER  HB+         4.50    (#   1282:25  Double Ambig)
 &rst
  ixpk= 1282, nxpk= 25, iat= 528,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 521, 522,
 &end
#
#   35 SER  HN           34 SER  HB-         4.50    (#   1283:25  Single Ambig)
 &rst
  ixpk= 1283, nxpk= 25, iat= 528,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 521, 522,
 &end
#
#    5 MET  ME           35 SER  HB+         3.50    (#   4335:25  Double Ambig)
 &rst
  ixpk= 4335, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=  92,  93,  94,
 igr2= 532, 533,
 &end
#
#    5 MET  ME           35 SER  HB-         3.50    (#   4336:25  Single Ambig)
 &rst
  ixpk= 4336, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=  92,  93,  94,
 igr2= 532, 533,
 &end
#
#   37 LEU  HB+          36 GLY  HA-         5.50    (#   4337:25  Unique         4.34, 5.37 A)
 &rst
  ixpk= 4337, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 550, 551,
 igr2= 541, 542,
 &end
#
#   37 LEU  HN           37 LEU  HA          2.80    (#   4338:25  Unique         2.25, 2.89 A)
 &rst
  ixpk= 4338, nxpk= 25, iat= 546, 548, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   37 LEU  MDY          37 LEU  HA          2.80    (#   4339:25  Unique         2.07, 3.88 A)
 &rst
  ixpk= 4339, nxpk= 25, iat=  -1, 548, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 555, 556, 557, 559, 560, 561,
 &end
#
#   37 LEU  HB-          37 LEU  HA          2.80    (#   4340:25  Unique         2.45, 2.81 A)
 &rst
  ixpk= 4340, nxpk= 25, iat=  -1, 548, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 550, 551,
 &end
#
#   37 LEU  HG           37 LEU  HA          3.50    (#   4341:25  Unique         2.27, 2.86 A)
 &rst
  ixpk= 4341, nxpk= 25, iat= 553, 548, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   38 GLU  HN           37 LEU  HA          3.50    (#   4342:25  Unique         2.27, 2.86 A)
 &rst
  ixpk= 4342, nxpk= 25, iat= 565, 548, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   36 GLY  HN           37 LEU  HA          5.50    (#   4343:25  Unique         2.27, 2.86 A)
 &rst
  ixpk= 4343, nxpk= 25, iat= 539, 548, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   38 GLU  HN           37 LEU  HB-         5.50    (#   4344:25  Unique         1.81, 3.31 A)
 &rst
  ixpk= 4344, nxpk= 25, iat= 565,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 550, 551,
 &end
#
#   36 GLY  HN           37 LEU  HB-         5.50    (#   4345:25  Unique         1.81, 3.31 A)
 &rst
  ixpk= 4345, nxpk= 25, iat= 539,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 550, 551,
 &end
#
#   36 GLY  HN           37 LEU  HB+         5.50    (#   4346:25  Unique         1.81, 3.31 A)
 &rst
  ixpk= 4346, nxpk= 25, iat= 539,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 550, 551,
 &end
#
#   37 LEU  MDX          37 LEU  HG          2.80    (#   4347:25  Unique         2.36, 2.67 A)
 &rst
  ixpk= 4347, nxpk= 25, iat=  -1, 553, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 555, 556, 557, 559, 560, 561,
 &end
#
#   38 GLU  HN           37 LEU  HG          4.50    (#   4348:25  Unique         2.36, 2.67 A)
 &rst
  ixpk= 4348, nxpk= 25, iat= 565, 553, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   36 GLY  HN           37 LEU  HG          4.50    (#   4349:25  Unique         2.36, 2.67 A)
 &rst
  ixpk= 4349, nxpk= 25, iat= 539, 553, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   37 LEU  HA           37 LEU  MDX         2.80    (#    420:25  Single Ambig)
 &rst
  ixpk= 420, nxpk= 25, iat= 548,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 555, 556, 557, 559, 560, 561,
 &end
#
#   86 LEU  HA           37 LEU  MDX         3.50    (#   4350:25  Single Ambig)
 &rst
  ixpk= 4350, nxpk= 25, iat=1246,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 555, 556, 557, 559, 560, 561,
 &end
#
#   37 LEU  HG           37 LEU  MDX         2.80    (#   1336:25  Single Ambig)
 &rst
  ixpk= 1336, nxpk= 25, iat= 553,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 555, 556, 557, 559, 560, 561,
 &end
#
#   86 LEU  HG           37 LEU  MDX         2.80    (#   4351:25  Single Ambig)
 &rst
  ixpk= 4351, nxpk= 25, iat=1251,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 555, 556, 557, 559, 560, 561,
 &end
#
#   37 LEU  MDX          86 LEU  HG          2.80    (#   4419:25  Single Ambig)
 &rst
  ixpk= 4419, nxpk= 25, iat=  -1,1251, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 555, 556, 557, 559, 560, 561,
 &end
#
#   86 LEU  HB-          37 LEU  MDX         3.50    (#   4352:25  Single Ambig)
 &rst
  ixpk= 4352, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1248,1249,
 igr2= 555, 556, 557, 559, 560, 561,
 &end
#
#   87 PRO  HD+          37 LEU  MDX         5.50    (#   4353:25  Single Ambig)
 &rst
  ixpk= 4353, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1264,1265,
 igr2= 555, 556, 557, 559, 560, 561,
 &end
#
#   87 PRO  HD-          37 LEU  MDX         5.50    (#   4354:25  Single Ambig)
 &rst
  ixpk= 4354, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1264,1265,
 igr2= 555, 556, 557, 559, 560, 561,
 &end
#
#   87 PRO  HB+          37 LEU  MDX         5.50    (#   4355:25  Single Ambig)
 &rst
  ixpk= 4355, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1270,1271,
 igr2= 555, 556, 557, 559, 560, 561,
 &end
#
#   87 PRO  HG-          37 LEU  MDX         5.50    (#   4356:25  Single Ambig)
 &rst
  ixpk= 4356, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1267,1268,
 igr2= 555, 556, 557, 559, 560, 561,
 &end
#
#   37 LEU  HN           37 LEU  MDX         5.50    (#   4357:25  Unique         4.89, 7.43 A)
 &rst
  ixpk= 4357, nxpk= 25, iat= 546,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 555, 556, 557, 559, 560, 561,
 &end
#
#   36 GLY  HN           37 LEU  MDY         5.50    (#   4358:25  Unique         2.24, 5.08 A)
 &rst
  ixpk= 4358, nxpk= 25, iat= 539,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 555, 556, 557, 559, 560, 561,
 &end
#
#   37 LEU  HA           37 LEU  MDY         4.50    (#    415:25  Single Ambig)
 &rst
  ixpk= 415, nxpk= 25, iat= 548,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 555, 556, 557, 559, 560, 561,
 &end
#
#   86 LEU  HA           37 LEU  MDY         4.50    (#   4359:25  Single Ambig)
 &rst
  ixpk= 4359, nxpk= 25, iat=1246,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 555, 556, 557, 559, 560, 561,
 &end
#
#   86 LEU  HG           37 LEU  MDY         2.80    (#   4360:25  Unique         2.36, 2.67 A)
 &rst
  ixpk= 4360, nxpk= 25, iat=1251,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 555, 556, 557, 559, 560, 561,
 &end
#
#   37 LEU  MDY          86 LEU  HG          2.80    (#   4420:25  Single Ambig)
 &rst
  ixpk= 4420, nxpk= 25, iat=  -1,1251, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 555, 556, 557, 559, 560, 561,
 &end
#
#   39 SER  HB+          38 GLU  HA          5.50    (#   4361:25  Unique         2.36, 2.67 A)
 &rst
  ixpk= 4361, nxpk= 25, iat=  -1, 567, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 584, 585,
 &end
#
#   38 GLU  HG+          38 GLU  HA          2.80    (#   1358:25  Double Ambig)
 &rst
  ixpk= 1358, nxpk= 25, iat=  -1, 567, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 572, 573,
 &end
#
#   38 GLU  HG-          38 GLU  HA          2.80    (#   4362:25  Double Ambig)
 &rst
  ixpk= 4362, nxpk= 25, iat=  -1, 567, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 572, 573,
 &end
#
#   38 GLU  HG+          38 GLU  HA          2.80    (#   1359:25  Single Ambig)
 &rst
  ixpk= 1359, nxpk= 25, iat=  -1, 567, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 572, 573,
 &end
#
#   42 VAL  HB           41 ARG  HA          5.50    (#   4364:25  Single Ambig)
 &rst
  ixpk= 4364, nxpk= 25, iat= 630, 604, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   64 PRO  HD-          64 PRO  HB-         4.50    (#   4365:25  Double Ambig)
 &rst
  ixpk= 4365, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 936, 937,
 igr2= 942, 943,
 &end
#
#   38 GLU  HA           38 GLU  HB+         2.80    (#    385:25  Single Ambig)
 &rst
  ixpk= 385, nxpk= 25, iat= 567,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 569, 570,
 &end
#
#   39 SER  HN           38 GLU  HB-         5.50    (#   4367:25  Unique         1.84, 3.43 A)
 &rst
  ixpk= 4367, nxpk= 25, iat= 580,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 569, 570,
 &end
#
#   40 SER  HB+          39 SER  HA          3.50    (#   4368:25  Unique         2.17, 2.59 A)
 &rst
  ixpk= 4368, nxpk= 25, iat=  -1, 582, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 595, 596,
 &end
#
#   38 GLU  HG+          39 SER  HA          5.50    (#   1402:25  Unique         2.17, 2.59 A)
 &rst
  ixpk= 1402, nxpk= 25, iat=  -1, 582, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 572, 573,
 &end
#
#   38 GLU  HB-          39 SER  HA          5.50    (#   1403:25  Unique         2.17, 2.59 A)
 &rst
  ixpk= 1403, nxpk= 25, iat=  -1, 582, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 569, 570,
 &end
#
#   38 GLU  HG+          39 SER  HB+         5.50    (#   4369:25  Unique         2.17, 2.59 A)
 &rst
  ixpk= 4369, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 572, 573,
 igr2= 584, 585,
 &end
#
#   36 GLY  HA+          39 SER  HB+         4.50    (#   4144:25  Double Ambig)
 &rst
  ixpk= 4144, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 541, 542,
 igr2= 584, 585,
 &end
#
#   40 SER  HA           39 SER  HB+         4.50    (#   4370:25  Double Ambig)
 &rst
  ixpk= 4370, nxpk= 25, iat= 593,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 584, 585,
 &end
#
#   39 SER  HB+          40 SER  HA          4.50    (#   4371:25  Double Ambig)
 &rst
  ixpk= 4371, nxpk= 25, iat=  -1, 593, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 584, 585,
 &end
#
#   40 SER  HN           40 SER  HB+         3.50    (#     19:25  Double Ambig)
 &rst
  ixpk= 19, nxpk= 25, iat= 591,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 595, 596,
 &end
#
#   41 ARG  HN           40 SER  HB+         3.50    (#   4372:25  Double Ambig)
 &rst
  ixpk= 4372, nxpk= 25, iat= 602,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 595, 596,
 &end
#
#   42 VAL  HA           41 ARG  HA          4.50    (#   1355:25  Double Ambig)
 &rst
  ixpk= 1355, nxpk= 25, iat= 628, 604, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   40 SER  HB+          41 ARG  HA          4.50    (#   4373:25  Double Ambig)
 &rst
  ixpk= 4373, nxpk= 25, iat=  -1, 604, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 595, 596,
 &end
#
#   39 SER  HB+          41 ARG  HA          5.50    (#   4374:25  Double Ambig)
 &rst
  ixpk= 4374, nxpk= 25, iat=  -1, 604, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 584, 585,
 &end
#
#   41 ARG  HB-          41 ARG  HA          2.80    (#   4375:25  Unique         2.21, 2.85 A)
 &rst
  ixpk= 4375, nxpk= 25, iat=  -1, 604, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 606, 607,
 &end
#
#   41 ARG  HA           41 ARG  HG-         3.50    (#   1047:25  Double Ambig)
 &rst
  ixpk= 1047, nxpk= 25, iat= 604,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 609, 610,
 &end
#
#   41 ARG  HA           41 ARG  HG+         3.50    (#   1048:25  Double Ambig)
 &rst
  ixpk= 1048, nxpk= 25, iat= 604,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 609, 610,
 &end
#
#  101 LEU  HA          101 LEU  HG          3.50    (#   4376:25  Double Ambig)
 &rst
  ixpk= 4376, nxpk= 25, iat=1501,1506, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   57 ILE  QG2          60 GLN  HG+         4.50    (#   1857:25  Double Ambig)
 &rst
  ixpk= 1857, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 850, 851, 852,
 igr2= 888, 889,
 &end
#
#   75 VAL  MGY          76 VAL  HB          4.50    (#   4377:25  Double Ambig)
 &rst
  ixpk= 4377, nxpk= 25, iat=  -1,1118, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1104,1105,1106,1108,1109,1110,
 &end
#
#   57 ILE  QD1          60 GLN  HG+         5.50    (#   1858:25  Double Ambig)
 &rst
  ixpk= 1858, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 857, 858, 859,
 igr2= 888, 889,
 &end
#
#   61 THR  HA           61 THR  HB          2.80    (#   1859:25  Single Ambig)
 &rst
  ixpk= 1859, nxpk= 25, iat= 900, 902, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   41 ARG  HA           61 THR  HB          5.50    (#   4379:25  Single Ambig)
 &rst
  ixpk= 4379, nxpk= 25, iat= 604, 902, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   60 GLN  HB+          61 THR  HA          3.50    (#   4380:25  Single Ambig)
 &rst
  ixpk= 4380, nxpk= 25, iat=  -1, 900, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 885, 886,
 &end
#
#   60 GLN  HB-          61 THR  HA          3.50    (#   4381:25  Single Ambig)
 &rst
  ixpk= 4381, nxpk= 25, iat=  -1, 900, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 885, 886,
 &end
#
#   61 THR  HN           61 THR  HA          2.80    (#     40:25  Single Ambig)
 &rst
  ixpk= 40, nxpk= 25, iat= 898, 900, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   62 SER  HN           61 THR  HA          3.50    (#   4382:25  Single Ambig)
 &rst
  ixpk= 4382, nxpk= 25, iat= 912, 900, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   62 SER  HN           61 THR  HB          3.50    (#      2:25  Single Ambig)
 &rst
  ixpk= 2, nxpk= 25, iat= 912, 902, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   61 THR  HN           61 THR  HB          3.50    (#   4383:25  Single Ambig)
 &rst
  ixpk= 4383, nxpk= 25, iat= 898, 902, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   63 ASP  HB+          62 SER  HA          5.50    (#   4384:25  Single Ambig)
 &rst
  ixpk= 4384, nxpk= 25, iat=  -1, 914, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 927, 928,
 &end
#
#   63 ASP  HA           62 SER  HA          5.50    (#   4385:25  Single Ambig)
 &rst
  ixpk= 4385, nxpk= 25, iat= 925, 914, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   61 THR  HN           62 SER  HB-         5.50    (#   4386:25  Unique         2.34, 3.65 A)
 &rst
  ixpk= 4386, nxpk= 25, iat= 898,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 916, 917,
 &end
#
#   61 THR  HA           62 SER  HB-         5.50    (#   4042:25  Single Ambig)
 &rst
  ixpk= 4042, nxpk= 25, iat= 900,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 916, 917,
 &end
#
#   64 PRO  HB+          63 ASP  HA          5.50    (#   4006:25  Single Ambig)
 &rst
  ixpk= 4006, nxpk= 25, iat=  -1, 925, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 942, 943,
 &end
#
#   67 ASN  HB+          63 ASP  HA          5.50    (#   4388:25  Single Ambig)
 &rst
  ixpk= 4388, nxpk= 25, iat=  -1, 925, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 987, 988,
 &end
#
#   62 SER  HN           63 ASP  HB+         5.50    (#   4007:25  Single Ambig)
 &rst
  ixpk= 4007, nxpk= 25, iat= 912,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 927, 928,
 &end
#
#   68 PHE  HE           63 ASP  HB+         4.50    (#    119:25  Double Ambig)
 &rst
  ixpk= 119, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1007,1011,
 igr2= 927, 928,
 &end
#
#   67 ASN  HD2-         63 ASP  HB+         4.50    (#   4389:25  Double Ambig)
 &rst
  ixpk= 4389, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 992, 993,
 igr2= 927, 928,
 &end
#
#   67 ASN  HB+          63 ASP  HB+         2.80    (#   3485:25  Double Ambig)
 &rst
  ixpk= 3485, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 987, 988,
 igr2= 927, 928,
 &end
#
#   67 ASN  HB-          63 ASP  HB+         2.80    (#   4390:25  Double Ambig)
 &rst
  ixpk= 4390, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 987, 988,
 igr2= 927, 928,
 &end
#
#   65 ILE  HB           64 PRO  HB+         5.50    (#   4391:25  Unique         5.29, 5.89 A)
 &rst
  ixpk= 4391, nxpk= 25, iat= 953,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 942, 943,
 &end
#
#   67 ASN  HA           64 PRO  HD-         5.50    (#   3780:25  Double Ambig)
 &rst
  ixpk= 3780, nxpk= 25, iat= 985,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 936, 937,
 &end
#
#   67 ASN  HA           64 PRO  HD+         5.50    (#   3781:25  Double Ambig)
 &rst
  ixpk= 3781, nxpk= 25, iat= 985,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 936, 937,
 &end
#
#   63 ASP  HB+          64 PRO  HD-         4.50    (#   3786:25  Double Ambig)
 &rst
  ixpk= 3786, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 927, 928,
 igr2= 936, 937,
 &end
#
#   87 PRO  HB+          88 PRO  HD-         4.50    (#   4392:25  Double Ambig)
 &rst
  ixpk= 4392, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1270,1271,
 igr2=1278,1279,
 &end
#
#    5 MET  HN            5 MET  HA          3.50    (#    874:25  Double Ambig)
 &rst
  ixpk= 874, nxpk= 25, iat=  81,  83, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   79 LEU  HN           78 SER  HA          3.50    (#   4395:25  Double Ambig)
 &rst
  ixpk= 4395, nxpk= 25, iat=1160,1151, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   98 ASP  HA           78 SER  HB+         4.50    (#   2128:25  Double Ambig)
 &rst
  ixpk= 2128, nxpk= 25, iat=1448,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1153,1154,
 &end
#
#   78 SER  HA           78 SER  HB+         4.50    (#   4396:25  Double Ambig)
 &rst
  ixpk= 4396, nxpk= 25, iat=1151,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1153,1154,
 &end
#
#   98 ASP  HA           78 SER  HB-         4.50    (#   4397:25  Double Ambig)
 &rst
  ixpk= 4397, nxpk= 25, iat=1448,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1153,1154,
 &end
#
#   84 VAL  MGY          83 GLY  HA+         5.50    (#   4398:25  Unique         3.90, 5.88 A)
 &rst
  ixpk= 4398, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1220,1221,1222,1224,1225,1226,
 igr2=1209,1210,
 &end
#
#   86 LEU  HB+          84 VAL  HA          5.50    (#   4399:25  Single Ambig)
 &rst
  ixpk= 4399, nxpk= 25, iat=  -1,1216, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1248,1249,
 &end
#
#   84 VAL  MGY          84 VAL  HB          2.80    (#    610:25  Single Ambig)
 &rst
  ixpk= 610, nxpk= 25, iat=  -1,1218, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1220,1221,1222,1224,1225,1226,
 &end
#
#   84 VAL  HN           84 VAL  MGY         5.50    (#   4401:25  Unique         2.27, 3.48 A)
 &rst
  ixpk= 4401, nxpk= 25, iat=1214,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1220,1221,1222,1224,1225,1226,
 &end
#
#   83 GLY  HN           84 VAL  MGY         5.50    (#   4402:25  Unique         2.27, 3.48 A)
 &rst
  ixpk= 4402, nxpk= 25, iat=1207,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1220,1221,1222,1224,1225,1226,
 &end
#
#   56 ASP  HN           56 ASP  HA          3.50    (#   1796:25  Unique         2.27, 3.48 A)
 &rst
  ixpk= 1796, nxpk= 25, iat= 832, 834, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   86 LEU  HN           85 ASN  HA          4.50    (#   1797:25  Unique         2.27, 3.48 A)
 &rst
  ixpk= 1797, nxpk= 25, iat=1244,1232, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   85 ASN  HB+          85 ASN  HA          2.80    (#   1798:25  Unique         2.27, 3.48 A)
 &rst
  ixpk= 1798, nxpk= 25, iat=  -1,1232, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1234,1235,
 &end
#
#   85 ASN  HA           85 ASN  HB+         2.80    (#    350:25  Unique         2.27, 3.48 A)
 &rst
  ixpk= 350, nxpk= 25, iat=1232,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1234,1235,
 &end
#
#   85 ASN  HB-          85 ASN  HA          2.80    (#   1799:25  Unique         2.27, 3.48 A)
 &rst
  ixpk= 1799, nxpk= 25, iat=  -1,1232, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1234,1235,
 &end
#
#   85 ASN  HA           85 ASN  HB-         2.80    (#    353:25  Unique         2.27, 3.48 A)
 &rst
  ixpk= 353, nxpk= 25, iat=1232,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1234,1235,
 &end
#
#   86 LEU  HN           85 ASN  HB-         5.50    (#   4403:25  Unique         2.44, 4.30 A)
 &rst
  ixpk= 4403, nxpk= 25, iat=1244,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1234,1235,
 &end
#
#   85 ASN  HB-          84 VAL  MGY         5.50    (#   4236:25  Unique         2.44, 4.30 A)
 &rst
  ixpk= 4236, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1234,1235,
 igr2=1220,1221,1222,1224,1225,1226,
 &end
#
#   85 ASN  HB+          84 VAL  MGY         5.50    (#   4404:25  Unique         2.44, 4.30 A)
 &rst
  ixpk= 4404, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1234,1235,
 igr2=1220,1221,1222,1224,1225,1226,
 &end
#
#   84 VAL  MGY          85 ASN  HB+         4.50    (#   4405:25  Unique         2.44, 4.30 A)
 &rst
  ixpk= 4405, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1220,1221,1222,1224,1225,1226,
 igr2=1234,1235,
 &end
#
#   84 VAL  MGY          85 ASN  HB-         4.50    (#   4406:25  Unique         2.44, 4.30 A)
 &rst
  ixpk= 4406, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1220,1221,1222,1224,1225,1226,
 igr2=1234,1235,
 &end
#
#   86 LEU  MDY          86 LEU  HB+         3.50    (#   1437:25  Double Ambig)
 &rst
  ixpk= 1437, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1253,1254,1255,1257,1258,1259,
 igr2=1248,1249,
 &end
#
#   18 ALA  MB          101 LEU  HB+         4.50    (#   4407:25  Unique         2.44, 4.30 A)
 &rst
  ixpk= 4407, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 299, 300, 301,
 igr2=1503,1504,
 &end
#
#   86 LEU  MDX          86 LEU  HB+         3.50    (#   4408:25  Double Ambig)
 &rst
  ixpk= 4408, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1253,1254,1255,1257,1258,1259,
 igr2=1248,1249,
 &end
#
#   85 ASN  HN           86 LEU  MDX         4.50    (#    240:25  Single Ambig)
 &rst
  ixpk= 240, nxpk= 25, iat=1230,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1253,1254,1255,1257,1258,1259,
 &end
#
#   90 TRP  HD1          86 LEU  MDX         3.50    (#   4409:25  Single Ambig)
 &rst
  ixpk= 4409, nxpk= 25, iat=1314,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1253,1254,1255,1257,1258,1259,
 &end
#
#   91 VAL  HA           86 LEU  MDX         5.50    (#   2166:25  Single Ambig)
 &rst
  ixpk= 2166, nxpk= 25, iat=1332,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1253,1254,1255,1257,1258,1259,
 &end
#
#   90 TRP  HA           86 LEU  MDX         5.50    (#   4410:25  Single Ambig)
 &rst
  ixpk= 4410, nxpk= 25, iat=1308,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1253,1254,1255,1257,1258,1259,
 &end
#
#   87 PRO  HD+          86 LEU  MDX         5.50    (#   2167:25  Single Ambig)
 &rst
  ixpk= 2167, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1264,1265,
 igr2=1253,1254,1255,1257,1258,1259,
 &end
#
#   83 GLY  HA-          86 LEU  MDX         5.50    (#   4411:25  Single Ambig)
 &rst
  ixpk= 4411, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1209,1210,
 igr2=1253,1254,1255,1257,1258,1259,
 &end
#
#   84 VAL  HB           86 LEU  MDX         5.50    (#   2171:25  Single Ambig)
 &rst
  ixpk= 2171, nxpk= 25, iat=1218,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1253,1254,1255,1257,1258,1259,
 &end
#
#   87 PRO  HB-          86 LEU  MDX         5.50    (#   4412:25  Single Ambig)
 &rst
  ixpk= 4412, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1270,1271,
 igr2=1253,1254,1255,1257,1258,1259,
 &end
#
#   86 LEU  HB+          86 LEU  MDX         2.80    (#   4413:25  Unique         2.37, 3.33 A)
 &rst
  ixpk= 4413, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1248,1249,
 igr2=1253,1254,1255,1257,1258,1259,
 &end
#
#   86 LEU  HB+          86 LEU  MDY         3.50    (#   4414:25  Unique         2.35, 5.70 A)
 &rst
  ixpk= 4414, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1248,1249,
 igr2=1253,1254,1255,1257,1258,1259,
 &end
#
#   87 PRO  HD+          86 LEU  MDY         3.50    (#   2183:25  Single Ambig)
 &rst
  ixpk= 2183, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1264,1265,
 igr2=1253,1254,1255,1257,1258,1259,
 &end
#
#   83 GLY  HA-          86 LEU  MDY         5.50    (#   4415:25  Single Ambig)
 &rst
  ixpk= 4415, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1209,1210,
 igr2=1253,1254,1255,1257,1258,1259,
 &end
#
#   85 ASN  HN           86 LEU  MDY         5.50    (#   2185:25  Single Ambig)
 &rst
  ixpk= 2185, nxpk= 25, iat=1230,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1253,1254,1255,1257,1258,1259,
 &end
#
#   90 TRP  HD1          86 LEU  MDY         5.50    (#   4416:25  Single Ambig)
 &rst
  ixpk= 4416, nxpk= 25, iat=1314,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1253,1254,1255,1257,1258,1259,
 &end
#
#   91 VAL  HA           86 LEU  MDY         5.50    (#   3745:25  Single Ambig)
 &rst
  ixpk= 3745, nxpk= 25, iat=1332,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1253,1254,1255,1257,1258,1259,
 &end
#
#   90 TRP  HA           86 LEU  MDY         5.50    (#   4417:25  Single Ambig)
 &rst
  ixpk= 4417, nxpk= 25, iat=1308,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1253,1254,1255,1257,1258,1259,
 &end
#
#   37 LEU  MDY          86 LEU  HA          5.50    (#   4419:25  Unique         2.53, 4.85 A)
 &rst
  ixpk= 4419, nxpk= 25, iat=  -1,1246, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 555, 556, 557, 559, 560, 561,
 &end
#
#   71 ASP  HN           69 ASN  HA          4.50    (#   1938:25  Single Ambig)
 &rst
  ixpk= 1938, nxpk= 25, iat=1041,1019, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   69 ASN  HD2-         69 ASN  HA          5.50    (#   4418:25  Single Ambig)
 &rst
  ixpk= 4418, nxpk= 25, iat=  -1,1019, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1026,1027,
 &end
#
#   17 MET  HN           17 MET  HA          2.80    (#   4420:25  Single Ambig)
 &rst
  ixpk= 4420, nxpk= 25, iat= 278, 280, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   16 GLN  HN           17 MET  HA          5.50    (#   2351:25  Single Ambig)
 &rst
  ixpk= 2351, nxpk= 25, iat= 261, 280, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   18 ALA  HN           17 MET  HA          5.50    (#   4421:25  Single Ambig)
 &rst
  ixpk= 4421, nxpk= 25, iat= 295, 280, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   19 GLU  HN           17 MET  HA          5.50    (#   4422:25  Single Ambig)
 &rst
  ixpk= 4422, nxpk= 25, iat= 305, 280, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   20 GLY  HN           17 MET  HA          5.50    (#   4423:25  Single Ambig)
 &rst
  ixpk= 4423, nxpk= 25, iat= 320, 280, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   24 THR  HN           23 LYS  HA          5.50    (#   4424:25  Unique         2.84, 2.88 A)
 &rst
  ixpk= 4424, nxpk= 25, iat= 379, 359, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   26 GLY  HN           23 LYS  HA          5.50    (#   4425:25  Unique         2.84, 2.88 A)
 &rst
  ixpk= 4425, nxpk= 25, iat= 412, 359, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  113 ARG  HN          110 GLU  HA          5.50    (#   4426:25  Unique         3.53, 3.55 A)
 &rst
  ixpk= 4426, nxpk= 25, iat=1676,1627, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  116 ARG  HN          116 ARG  HA          2.80    (#   4427:25  Unique         2.79, 2.81 A)
 &rst
  ixpk= 4427, nxpk= 25, iat=1730,1732, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  128 ALA  HN          127 ILE  HA          5.50    (#   4428:25  Unique         2.86, 2.88 A)
 &rst
  ixpk= 4428, nxpk= 25, iat=1938,1921, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  25-2:4138    35 SER  HB+         5.50    (#   4138:25  Single Ambig)
 &rst
  ixpk= 4138, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 507, 521, 522,
 igr2= 532, 533,
 &end
#
#   84 ASN  HN           83 GLY  HA-         4.50    (#   4429:25  Unique         3.74, 4.42 A)
 &rst
  ixpk= 4429, nxpk= 25, iat=1214,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1209,1210,
 &end
#
#   86 LEU  MDY          82 SER  HB+         5.50    (#   2127:25  Unique         3.74, 4.42 A)
 &rst
  ixpk= 2127, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1253,1254,1255,1257,1258,1259,
 igr2=1200,1201,
 &end
#
#   86 LEU  MDX          82 SER  HB+         5.50    (#   4430:25  Unique         3.74, 4.42 A)
 &rst
  ixpk= 4430, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1253,1254,1255,1257,1258,1259,
 igr2=1200,1201,
 &end
#
#   83 GLY  HN           83 GLY  HA+         5.50    (#   4431:25  Unique         4.47, 5.20 A)
 &rst
  ixpk= 4431, nxpk= 25, iat=1207,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1209,1210,
 &end
#
#   34 SER  HN           32 VAL  HA          5.50    (#   4432:25  Single Ambig)
 &rst
  ixpk= 4432, nxpk= 25, iat= 517, 489, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   37 LEU  HA           64 PRO  HB+         4.50    (#   3560:25  Unique         2.69, 4.28 A)
 &rst
  ixpk= 3560, nxpk= 25, iat= 548,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 942, 943,
 &end
#
#   62 SER  HB-          35 SER  HA          4.50    (#   1293:25  Unique         2.10, 3.23 A)
 &rst
  ixpk= 1293, nxpk= 25, iat=  -1, 530, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 916, 917,
 &end
#
#   62 SER  HB+          35 SER  HA          4.50    (#   1294:25  Unique         2.10, 3.23 A)
 &rst
  ixpk= 1294, nxpk= 25, iat=  -1, 530, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 916, 917,
 &end
#
#   35 SER  HA           62 SER  HB+         4.50    (#   1869:25  Unique         2.10, 3.23 A)
 &rst
  ixpk= 1869, nxpk= 25, iat= 530,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 916, 917,
 &end
#
#   33 THR  MG2          63 ASP  HB+         5.50    (#   3487:25  Unique         3.69, 6.59 A)
 &rst
  ixpk= 3487, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 509, 510, 511,
 igr2= 927, 928,
 &end
#
#   65 ILE  HG1+         35 SER  HB+         3.50    (#   1317:25  Double Ambig)
 &rst
  ixpk= 1317, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 959, 960,
 igr2= 532, 533,
 &end
#
#   65 ILE  HG1+         35 SER  HB-         3.50    (#   1318:25  Single Ambig)
 &rst
  ixpk= 1318, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 959, 960,
 igr2= 532, 533,
 &end
#
#   65 ILE  HG1-         35 SER  HB-         4.50    (#   1319:25  Unique         2.22, 3.78 A)
 &rst
  ixpk= 1319, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 959, 960,
 igr2= 532, 533,
 &end
#
#   65 ILE  HN           35 SER  HB+         4.50    (#   1301:25  Unique         2.82, 3.68 A)
 &rst
  ixpk= 1301, nxpk= 25, iat= 949,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 532, 533,
 &end
#
#   65 ILE  HN           35 SER  HB-         5.50    (#   3624:25  Unique         2.82, 3.68 A)
 &rst
  ixpk= 3624, nxpk= 25, iat= 949,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 532, 533,
 &end
#
#   66 GLU  HA           65 ILE  QG2         3.50    (#    479:25  Unique         2.18, 4.59 A)
 &rst
  ixpk= 479, nxpk= 25, iat= 970,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 955, 956, 957,
 &end
#
#   58 SER  HN           47 ILE  QG2         3.50    (#   4434:25  Single Ambig)
 &rst
  ixpk= 4434, nxpk= 25, iat= 863,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 703, 704, 705,
 &end
#
#   58 SER  HN           46 ALA  MB          5.50    (#   4435:25  Single Ambig)
 &rst
  ixpk= 4435, nxpk= 25, iat= 863,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 691, 692, 693,
 &end
#
#   60 GLN  HE2+         20 GLY  HA+         5.50    (#   4437:25  Unique         4.46, 5.22 A)
 &rst
  ixpk= 4437, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 893, 894,
 igr2= 322, 323,
 &end
#
#   60 GLN  HE2+         20 GLY  HA-         5.50    (#   4438:25  Unique         4.46, 5.22 A)
 &rst
  ixpk= 4438, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 893, 894,
 igr2= 322, 323,
 &end
#
#   60 GLN  HE2-         20 GLY  HA-         5.50    (#   4439:25  Unique         4.46, 5.22 A)
 &rst
  ixpk= 4439, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 893, 894,
 igr2= 322, 323,
 &end
#
#   40 SER  HN           11 ASN  HA          5.50    (#   2916:25  Unique         2.78, 2.88 A)
 &rst
  ixpk= 2916, nxpk= 25, iat= 591, 192, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   84 VAL  MGY          86 LEU  HA          5.50    (#   4440:25  Unique         4.86, 7.52 A)
 &rst
  ixpk= 4440, nxpk= 25, iat=  -1,1246, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1220,1221,1222,1224,1225,1226,
 &end
#
#   40 SER  HN           11 ASN  HB-         3.50    (#   4328:25  Double Ambig)
 &rst
  ixpk= 4328, nxpk= 25, iat= 591,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 194, 195,
 &end
#
#   40 SER  HN           11 ASN  HB+         4.50    (#   2349:25  Double Ambig)
 &rst
  ixpk= 2349, nxpk= 25, iat= 591,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 194, 195,
 &end
#
#   41 ARG  HN           11 ASN  HB-         4.50    (#   4441:25  Double Ambig)
 &rst
  ixpk= 4441, nxpk= 25, iat= 602,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 194, 195,
 &end
#
#   41 ARG  HN           11 ASN  HB+         4.50    (#   4442:25  Double Ambig)
 &rst
  ixpk= 4442, nxpk= 25, iat= 602,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 194, 195,
 &end
#
#   76 VAL  HN           93 GLN  HG+         4.50    (#   4326:25  Double Ambig)
 &rst
  ixpk= 4326, nxpk= 25, iat=1114,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1367,1368,
 &end
#
#  119 VAL  HN          118 GLN  HA          3.50    (#   2915:25  Double Ambig)
 &rst
  ixpk= 2915, nxpk= 25, iat=1778,1763, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   99 TRP  HN           80 CYS  HA          4.50    (#   4443:25  Double Ambig)
 &rst
  ixpk= 4443, nxpk= 25, iat=1458,1181, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   60 GLN  HE2+         11 ASN  HA          5.50    (#   4444:25  Unique         2.39, 5.76 A)
 &rst
  ixpk= 4444, nxpk= 25, iat=  -1, 192, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 893, 894,
 &end
#
#   60 GLN  HE2-         11 ASN  HA          5.50    (#   4445:25  Unique         2.39, 5.76 A)
 &rst
  ixpk= 4445, nxpk= 25, iat=  -1, 192, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 893, 894,
 &end
#
# 45 THR O 49 MET HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 685, 726, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05, 
      rk2=40.0, rk3=40.0, ir6=1, ialtd=1,
 &end
#
# 45 THR O 49 MET N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 685, 725, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 46 ALA O 50 MET HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 695, 743, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 46 ALA O 50 MET N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 695, 742, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 47 ILE O 51 GLU HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 714, 760, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 47 ILE O 51 GLU N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 714, 759, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 48 ALA O 52 GLU HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 724, 775, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 48 ALA O 52 GLU N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 724, 774, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 49 MET O 53 VAL HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 741, 790, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 49 MET O 53 VAL N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 741, 789, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 69 ASN O 72 ASP HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1029,1053, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 69 ASN O 72 ASP N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1029,1052, 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=1112,  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=1112,  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= 485,  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= 485,  64, 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=1444,1149, 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=1444,1148, 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=  63,1098, 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=  63,1097, 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=  96,1130, 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=  96,1129, 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= 318, 357, 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= 318, 356, 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= 303, 347, 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= 303, 346, 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= 293, 327, 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= 293, 326, 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=1869,1919, 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=1869,1918, 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=1853,1900, 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=1853,1899, 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=1829,1886, 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=1829,1885, 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=1814,1871, 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=1814,1870, 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=1792,1855, 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=1792,1854, 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=1776,1831, 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=1776,1830, 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=1759,1816, 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=1759,1815, 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=1752,1794, 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=1752,1793, 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=1728,1778, 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=1728,1777, 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=1712,1761, 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=1712,1760, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
#   55 ILE  HA           56 ASP  HN          2.80    (#      0:15  Unique         2.04, 2.18 A)
 &rst
  ixpk= 0, nxpk= 15, iat= 815, 832, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=1,
 &end
#
#   56 ASP  HB+          56 ASP  HN          2.80    (#      1:15  Unique         2.20, 2.75 A)
 &rst
  ixpk= 1, nxpk= 15, iat=  -1, 832, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 836, 837,
 &end
#
#   56 ASP  HB-          56 ASP  HN          2.80    (#      2:15  Unique         2.20, 2.75 A)
 &rst
  ixpk= 2, nxpk= 15, iat=  -1, 832, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 836, 837,
 &end
#
#   55 ILE  QG2          56 ASP  HN          3.50    (#      3:15  Unique         2.46, 3.50 A)
 &rst
  ixpk= 3, nxpk= 15, iat=  -1, 832, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 819, 820, 821,
 &end
#
#    0 AMB  15-2:4       31 ALA  HN          2.80    (#      4:15  Single Ambig)
 &rst
  ixpk= 4, nxpk= 15, iat=  -1, 477, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 460,  45,
 &end
#
#    0 AMB  15-2:5       31 ALA  HN          2.80    (#      5:15  Single Ambig)
 &rst
  ixpk= 5, nxpk= 15, iat=  -1, 477, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 462,   8,   9,
 &end
#
#   31 ALA  MB           31 ALA  HN          2.80    (#      6:15  Unique         2.44, 3.10 A)
 &rst
  ixpk= 6, nxpk= 15, iat=  -1, 477, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 481, 482, 483,
 &end
#
#    0 AMB  15-2:7        5 MET  HN          4.50    (#      7:15  Single Ambig)
 &rst
  ixpk= 7, nxpk= 15, iat=  -1,  81, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 489,  45,
 &end
#
#    4 VAL  HA            5 MET  HN          2.80    (#      8:15  Unique         2.20, 2.25 A)
 &rst
  ixpk= 8, nxpk= 15, iat=  67,  81, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:9        4 VAL  HN          2.80    (#      9:15  Single Ambig)
 &rst
  ixpk= 9, nxpk= 15, iat=  -1,  65, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=  45, 489,
 &end
#
#    4 VAL  MGY           4 VAL  HN          2.80    (#     10:15  Unique         2.35, 4.03 A)
 &rst
  ixpk= 10, 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  HB            4 VAL  HN          2.80    (#     12:15  Unique         2.48, 2.75 A)
 &rst
  ixpk= 12, nxpk= 15, iat=  69,  65, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  101 LEU  HA          102 GLU  HN          2.80    (#     13:15  Unique         2.09, 2.24 A)
 &rst
  ixpk= 13, nxpk= 15, iat=1501,1518, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  102 GLU  HA          102 GLU  HN          2.80    (#     14:15  Unique         2.83, 2.89 A)
 &rst
  ixpk= 14, nxpk= 15, iat=1520,1518, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  102 GLU  HB+         102 GLU  HN          2.80    (#     15:15  Unique         2.24, 3.01 A)
 &rst
  ixpk= 15, nxpk= 15, iat=  -1,1518, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1522,1523,
 &end
#
#    0 AMB  15-2:16     102 GLU  HN          3.50    (#     16:15  Single Ambig)
 &rst
  ixpk= 16, nxpk= 15, iat=  -1,1518, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1720,1721,1722,1724,1725,1726,1508,1509,1510,1512,
      1513,1514,
 &end
#
#   98 ASP  HA           99 TRP  HN          2.80    (#     17:15  Unique         2.18, 2.27 A)
 &rst
  ixpk= 17, nxpk= 15, iat=1448,1458, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   26 GLY  HA-          26 GLY  HN          2.80    (#     18:15  Unique         2.23, 2.59 A)
 &rst
  ixpk= 18, nxpk= 15, iat=  -1, 412, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 414, 415,
 &end
#
#   26 GLY  HA+          26 GLY  HN          2.80    (#     19:15  Unique         2.23, 2.59 A)
 &rst
  ixpk= 19, nxpk= 15, iat=  -1, 412, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 414, 415,
 &end
#
#   51 GLU  HB+          51 GLU  HN          2.80    (#     20:15  Unique         2.20, 2.49 A)
 &rst
  ixpk= 20, nxpk= 15, iat=  -1, 760, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 764, 765,
 &end
#
#   20 GLY  HA-          20 GLY  HN          2.80    (#     21:15  Unique         2.27, 2.55 A)
 &rst
  ixpk= 21, nxpk= 15, iat=  -1, 320, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 322, 323,
 &end
#
#    1 MET  HA            2 LYS  HN          2.80    (#     22:15  Unique         2.29, 2.39 A)
 &rst
  ixpk= 22, nxpk= 15, iat=   6,  21, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  117 GLY  HA+         117 GLY  HN          2.80    (#     23:15  Unique         2.28, 2.57 A)
 &rst
  ixpk= 23, nxpk= 15, iat=  -1,1754, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1756,1757,
 &end
#
#  117 GLY  HA-         117 GLY  HN          2.80    (#     24:15  Unique         2.28, 2.57 A)
 &rst
  ixpk= 24, nxpk= 15, iat=  -1,1754, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1756,1757,
 &end
#
#   46 ALA  MB           46 ALA  HN          2.80    (#     25:15  Unique         2.46, 2.97 A)
 &rst
  ixpk= 25, nxpk= 15, iat=  -1, 687, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 691, 692, 693,
 &end
#
#   23 LYS  HA           27 ALA  HN          4.50    (#     26:15  Unique         4.34, 4.51 A)
 &rst
  ixpk= 26, nxpk= 15, iat= 359, 419, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   27 ALA  MB           27 ALA  HN          2.80    (#     27:15  Unique         2.37, 2.87 A)
 &rst
  ixpk= 27, nxpk= 15, iat=  -1, 419, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 423, 424, 425,
 &end
#
#  114 THR  HB          115 VAL  HN          2.80    (#     28:15  Unique         2.51, 2.62 A)
 &rst
  ixpk= 28, nxpk= 15, iat=1704,1714, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  115 VAL  HA          115 VAL  HN          2.80    (#     29:15  Unique         2.80, 2.81 A)
 &rst
  ixpk= 29, nxpk= 15, iat=1716,1714, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  115 VAL  HB          115 VAL  HN          2.80    (#     30:15  Unique         2.21, 2.31 A)
 &rst
  ixpk= 30, nxpk= 15, iat=1718,1714, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  115 VAL  MGY         115 VAL  HN          2.80    (#     31:15  Unique         2.29, 3.84 A)
 &rst
  ixpk= 31, nxpk= 15, iat=  -1,1714, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1720,1721,1722,1724,1725,1726,
 &end
#
#    0 AMB  15-2:32       0 AMB  15-1:32     3.50    (#     32:15  Double Ambig)
 &rst
  ixpk= 32, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.14, r4= 5.89,
 igr1= 606, 607, 630,  25,  26,
 igr2= 626,  21,
 &end
#
#   42 VAL  MGX          42 VAL  HN          2.80    (#     33:15  Unique         1.83, 3.14 A)
 &rst
  ixpk= 33, nxpk= 15, iat=  -1, 626, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 632, 633, 634, 636, 637, 638,
 &end
#
#   41 ARG  HA           42 VAL  HN          2.80    (#     34:15  Unique         2.29, 2.55 A)
 &rst
  ixpk= 34, nxpk= 15, iat= 604, 626, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   32 VAL  HA           33 THR  HN          2.80    (#     35:15  Unique         2.14, 2.18 A)
 &rst
  ixpk= 35, nxpk= 15, iat= 489, 503, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  131 SER  HA          131 SER  HN          2.80    (#     36:15  Unique         2.86, 2.89 A)
 &rst
  ixpk= 36, nxpk= 15, iat=1991,1989, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  130 ILE  HA          131 SER  HN          3.50    (#     37:15  Unique         3.53, 3.55 A)
 &rst
  ixpk= 37, nxpk= 15, iat=1972,1989, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   48 ALA  HA           48 ALA  HN          2.80    (#     38:15  Unique         2.88, 2.89 A)
 &rst
  ixpk= 38, nxpk= 15, iat= 718, 716, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:39      48 ALA  HN          2.80    (#     39:15  Single Ambig)
 &rst
  ixpk= 39, nxpk= 15, iat=  -1, 716, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 701, 737, 738, 739,
 &end
#
#   48 ALA  MB           48 ALA  HN          2.80    (#     40:15  Unique         2.51, 2.97 A)
 &rst
  ixpk= 40, nxpk= 15, iat=  -1, 716, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 720, 721, 722,
 &end
#
#    2 LYS  HA            3 LYS  HN          2.80    (#     41:15  Unique         2.19, 2.27 A)
 &rst
  ixpk= 41, nxpk= 15, iat=  23,  43, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   31 ALA  HA           32 VAL  HN          2.80    (#     42:15  Unique         2.23, 2.30 A)
 &rst
  ixpk= 42, nxpk= 15, iat= 479, 487, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   32 VAL  HB           32 VAL  HN          2.80    (#     43:15  Unique         2.50, 2.68 A)
 &rst
  ixpk= 43, nxpk= 15, iat= 491, 487, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   31 ALA  MB           32 VAL  HN          3.50    (#     44:15  Unique         2.59, 4.03 A)
 &rst
  ixpk= 44, nxpk= 15, iat=  -1, 487, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 481, 482, 483,
 &end
#
#   32 VAL  MGX          32 VAL  HN          2.80    (#     45:15  Unique         2.07, 3.96 A)
 &rst
  ixpk= 45, nxpk= 15, iat=  -1, 487, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 493, 494, 495, 497, 498, 499,
 &end
#
#  118 GLN  HA          118 GLN  HN          2.80    (#     46:15  Unique         2.78, 2.83 A)
 &rst
  ixpk= 46, nxpk= 15, iat=1763,1761, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  115 VAL  HA          118 GLN  HN          3.50    (#     47:15  Unique         3.02, 3.16 A)
 &rst
  ixpk= 47, nxpk= 15, iat=1716,1761, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  118 GLN  HG+         118 GLN  HN          2.80    (#     48:15  Unique         2.23, 2.85 A)
 &rst
  ixpk= 48, nxpk= 15, iat=  -1,1761, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1768,1769,
 &end
#
#  118 GLN  HB+         118 GLN  HN          2.80    (#     49:15  Unique         2.34, 3.05 A)
 &rst
  ixpk= 49, nxpk= 15, iat=  -1,1761, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1765,1766,
 &end
#
#  118 GLN  HB-         118 GLN  HN          3.50    (#     50:15  Unique         2.34, 3.05 A)
 &rst
  ixpk= 50, nxpk= 15, iat=  -1,1761, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1765,1766,
 &end
#
#   22 ALA  MB           22 ALA  HN          2.80    (#     52:15  Unique         2.40, 2.87 A)
 &rst
  ixpk= 52, nxpk= 15, iat=  -1, 347, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 351, 352, 353,
 &end
#
#  111 VAL  HA          111 VAL  HN          2.80    (#     53:15  Unique         2.87, 2.88 A)
 &rst
  ixpk= 53, nxpk= 15, iat=1642,1640, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  111 VAL  HB          111 VAL  HN          3.50    (#     54:15  Unique         2.58, 2.68 A)
 &rst
  ixpk= 54, nxpk= 15, iat=1644,1640, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  110 GLU  HB+         111 VAL  HN          3.50    (#     55:15  Unique         2.76, 3.76 A)
 &rst
  ixpk= 55, nxpk= 15, iat=  -1,1640, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1629,1630,
 &end
#
#  111 VAL  MGY         111 VAL  HN          2.80    (#     56:15  Unique         2.05, 3.76 A)
 &rst
  ixpk= 56, nxpk= 15, iat=  -1,1640, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1646,1647,1648,1650,1651,1652,
 &end
#
#  126 LEU  HB-         126 LEU  HN          2.80    (#     57:15  Unique         2.15, 2.41 A)
 &rst
  ixpk= 57, nxpk= 15, iat=  -1,1900, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1904,1905,
 &end
#
#  126 LEU  HA          126 LEU  HN          2.80    (#     58:15  Unique         2.79, 2.81 A)
 &rst
  ixpk= 58, nxpk= 15, iat=1902,1900, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  126 LEU  HB+         126 LEU  HN          3.50    (#     59:15  Unique         2.15, 2.41 A)
 &rst
  ixpk= 59, nxpk= 15, iat=  -1,1900, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1904,1905,
 &end
#
#  123 VAL  HB          123 VAL  HN          3.50    (#     60:15  Unique         2.32, 2.44 A)
 &rst
  ixpk= 60, nxpk= 15, iat=1859,1855, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  123 VAL  MGX         123 VAL  HN          2.80    (#     61:15  Unique         2.00, 3.81 A)
 &rst
  ixpk= 61, nxpk= 15, iat=  -1,1855, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1861,1862,1863,1865,1866,1867,
 &end
#
#  123 VAL  MGY         123 VAL  HN          3.50    (#     62:15  Unique         2.00, 3.81 A)
 &rst
  ixpk= 62, nxpk= 15, iat=  -1,1855, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1861,1862,1863,1865,1866,1867,
 &end
#
#    0 AMB  15-2:63      55 ILE  HN          2.80    (#     63:15  Single Ambig)
 &rst
  ixpk= 63, nxpk= 15, iat=  -1, 813, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 815, 808, 809,
 &end
#
#   54 GLY  HA+          55 ILE  HN          3.50    (#     64:15  Unique         3.06, 3.33 A)
 &rst
  ixpk= 64, nxpk= 15, iat=  -1, 813, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 808, 809,
 &end
#
#    0 AMB  15-2:65      55 ILE  HN          2.80    (#     65:15  Single Ambig)
 &rst
  ixpk= 65, nxpk= 15, iat=  -1, 813, r1= 0.00, r2= 1.80, r3= 3.87, r4= 4.62,
 igr1= 817, 796, 797, 798, 800, 801, 802,
 &end
#
#   94 GLU  HB-          94 GLU  HN          3.50    (#     66:15  Unique         2.41, 3.06 A)
 &rst
  ixpk= 66, nxpk= 15, iat=  -1,1377, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1381,1382,
 &end
#
#  112 PHE  HB+         112 PHE  HN          2.80    (#     67:15  Unique         2.39, 3.07 A)
 &rst
  ixpk= 67, nxpk= 15, iat=  -1,1656, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1660,1661,
 &end
#
#  111 VAL  HB          112 PHE  HN          2.80    (#     68:15  Unique         2.53, 2.80 A)
 &rst
  ixpk= 68, nxpk= 15, iat=1644,1656, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:69     105 ASP  HN          3.50    (#     69:15  Single Ambig)
 &rst
  ixpk= 69, nxpk= 15, iat=  -1,1559, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1555, 228,
 &end
#
#  105 ASP  HB+         105 ASP  HN          2.80    (#     70:15  Unique         2.27, 2.51 A)
 &rst
  ixpk= 70, nxpk= 15, iat=  -1,1559, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1563,1564,
 &end
#
#   93 GLN  HA           94 GLU  HN          2.80    (#     71:15  Unique         2.59, 2.71 A)
 &rst
  ixpk= 71, nxpk= 15, iat=1362,1377, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  111 VAL  HA            0 AMB  15-1:72     3.50    (#     72:15  Single Ambig)
 &rst
  ixpk= 72, nxpk= 15, iat=1642,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1700,1656,
 &end
#
#    0 AMB  15-2:73     116 ARG  HN          2.80    (#     73:15  Single Ambig)
 &rst
  ixpk= 73, nxpk= 15, iat=  -1,1730, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1734,1735,1718,
 &end
#
#   25 LEU  HB+          25 LEU  HN          2.80    (#     74:15  Unique         2.31, 2.96 A)
 &rst
  ixpk= 74, nxpk= 15, iat=  -1, 393, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 397, 398,
 &end
#
#  103 ASP  HB-         103 ASP  HN          3.50    (#     75:15  Unique         2.40, 3.10 A)
 &rst
  ixpk= 75, nxpk= 15, iat=  -1,1533, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1537,1538,
 &end
#
#  114 THR  HB          114 THR  HN          2.80    (#     76:15  Unique         2.07, 2.12 A)
 &rst
  ixpk= 76, nxpk= 15, iat=1704,1700, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  114 THR  HA          114 THR  HN          2.80    (#     77:15  Unique         2.81, 2.83 A)
 &rst
  ixpk= 77, nxpk= 15, iat=1702,1700, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  128 ALA  HA          128 ALA  HN          2.80    (#     78:15  Unique         2.77, 2.80 A)
 &rst
  ixpk= 78, nxpk= 15, iat=1940,1938, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  127 ILE  HB          128 ALA  HN          2.80    (#     79:15  Unique         2.44, 2.58 A)
 &rst
  ixpk= 79, nxpk= 15, iat=1923,1938, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  128 ALA  MB          128 ALA  HN          2.80    (#     80:15  Unique         2.42, 2.87 A)
 &rst
  ixpk= 80, nxpk= 15, iat=  -1,1938, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1942,1943,1944,
 &end
#
#   24 THR  HB           25 LEU  HN          2.80    (#     81:15  Unique         2.36, 2.55 A)
 &rst
  ixpk= 81, nxpk= 15, iat= 383, 393, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   25 LEU  HG           25 LEU  HN          2.80    (#     82:15  Unique         2.24, 2.29 A)
 &rst
  ixpk= 82, nxpk= 15, iat= 400, 393, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:83       0 AMB  15-1:83     2.80    (#     83:15  Double Ambig)
 &rst
  ixpk= 83, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1873,1716,1857,
 igr2=1871,1730,
 &end
#
#  124 GLU  HB+         124 GLU  HN          2.80    (#     84:15  Unique         2.31, 2.96 A)
 &rst
  ixpk= 84, nxpk= 15, iat=  -1,1871, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1875,1876,
 &end
#
#  124 GLU  HG+         124 GLU  HN          3.50    (#     85:15  Unique         2.56, 3.21 A)
 &rst
  ixpk= 85, nxpk= 15, iat=  -1,1871, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1878,1879,
 &end
#
#  102 GLU  HA          103 ASP  HN          3.50    (#     86:15  Unique         2.20, 2.82 A)
 &rst
  ixpk= 86, nxpk= 15, iat=1520,1533, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  103 ASP  HB+         103 ASP  HN          3.50    (#     87:15  Unique         2.40, 3.10 A)
 &rst
  ixpk= 87, nxpk= 15, iat=  -1,1533, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1537,1538,
 &end
#
#   37 LEU  HA           37 LEU  HN          2.80    (#     88:15  Unique         2.25, 2.89 A)
 &rst
  ixpk= 88, nxpk= 15, iat= 548, 546, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  120 LYS  HB-         120 LYS  HN          2.80    (#     89:15  Unique         2.33, 2.52 A)
 &rst
  ixpk= 89, nxpk= 15, iat=  -1,1794, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1798,1799,
 &end
#
#  119 VAL  HB          120 LYS  HN          3.50    (#     90:15  Unique         2.45, 2.69 A)
 &rst
  ixpk= 90, nxpk= 15, iat=1782,1794, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   97 GLU  HB+          98 ASP  HN          3.50    (#     91:15  Unique         2.04, 2.82 A)
 &rst
  ixpk= 91, nxpk= 15, iat=  -1,1446, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1435,1436,
 &end
#
#   68 PHE  HA           69 ASN  HN          2.80    (#     92:15  Unique         2.38, 2.45 A)
 &rst
  ixpk= 92, nxpk= 15, iat= 999,1017, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   69 ASN  HB+          69 ASN  HN          3.50    (#     93:15  Unique         2.64, 3.01 A)
 &rst
  ixpk= 93, nxpk= 15, iat=  -1,1017, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1021,1022,
 &end
#
#   69 ASN  HB-          69 ASN  HN          2.80    (#     94:15  Unique         2.64, 3.01 A)
 &rst
  ixpk= 94, nxpk= 15, iat=  -1,1017, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1021,1022,
 &end
#
#    0 AMB  15-2:95      66 GLU  HN          2.80    (#     95:15  Single Ambig)
 &rst
  ixpk= 95, nxpk= 15, iat=  -1, 968, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 972, 973, 942, 943,
 &end
#
#   65 ILE  QG2          66 GLU  HN          2.80    (#     96:15  Unique         2.66, 3.54 A)
 &rst
  ixpk= 96, nxpk= 15, iat=  -1, 968, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 955, 956, 957,
 &end
#
#    0 AMB  15-2:97     109 LEU  HN          2.80    (#     97:15  Single Ambig)
 &rst
  ixpk= 97, nxpk= 15, iat=  -1,1606, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1597,1599,1600,
 &end
#
#    0 AMB  15-2:98     109 LEU  HN          2.80    (#     98:15  Single Ambig)
 &rst
  ixpk= 98, nxpk= 15, iat=  -1,1606, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1610,1611,1613,
 &end
#
#   97 GLU  HA           98 ASP  HN          2.80    (#     99:15  Unique         2.35, 2.49 A)
 &rst
  ixpk= 99, nxpk= 15, iat=1433,1446, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   60 GLN  HA           60 GLN  HN          2.80    (#    100:15  Unique         2.78, 2.87 A)
 &rst
  ixpk= 100, nxpk= 15, iat= 883, 881, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   60 GLN  HB+          60 GLN  HN          2.80    (#    101:15  Unique         2.33, 2.83 A)
 &rst
  ixpk= 101, nxpk= 15, iat=  -1, 881, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 885, 886,
 &end
#
#   60 GLN  HB-          60 GLN  HN          3.50    (#    102:15  Unique         2.33, 2.83 A)
 &rst
  ixpk= 102, nxpk= 15, iat=  -1, 881, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 885, 886,
 &end
#
#    0 AMB  15-2:103     66 GLU  HN          2.80    (#    103:15  Single Ambig)
 &rst
  ixpk= 103, nxpk= 15, iat=  -1, 968, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 975, 976, 942, 943,
 &end
#
#  119 VAL  MGY         119 VAL  HN          3.50    (#    104:15  Unique         1.93, 3.80 A)
 &rst
  ixpk= 104, nxpk= 15, iat=  -1,1778, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1784,1785,1786,1788,1789,1790,
 &end
#
#   33 THR  HA           34 SER  HN          3.50    (#    105:15  Unique         2.43, 3.34 A)
 &rst
  ixpk= 105, nxpk= 15, iat= 505, 517, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   33 THR  MG2          34 SER  HN          3.50    (#    106:15  Unique         2.49, 4.02 A)
 &rst
  ixpk= 106, nxpk= 15, iat=  -1, 517, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 509, 510, 511,
 &end
#
#   21 PHE  HB-          21 PHE  HN          3.50    (#    107:15  Unique         2.17, 2.93 A)
 &rst
  ixpk= 107, nxpk= 15, iat=  -1, 327, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 331, 332,
 &end
#
#   73 TYR  HA           74 ASP  HN          2.80    (#    109:15  Unique         2.09, 2.29 A)
 &rst
  ixpk= 109, nxpk= 15, iat=1067,1086, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   58 SER  HB+          58 SER  HN          2.80    (#    110:15  Unique         2.42, 2.94 A)
 &rst
  ixpk= 110, nxpk= 15, iat=  -1, 863, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 867, 868,
 &end
#
#  107 GLN  HG-         107 GLN  HN          2.80    (#    111:15  Unique         2.31, 3.02 A)
 &rst
  ixpk= 111, nxpk= 15, iat=  -1,1578, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1585,1586,
 &end
#
#    0 AMB  15-2:112     67 ASN  HN          2.80    (#    112:15  Single Ambig)
 &rst
  ixpk= 112, nxpk= 15, iat=  -1, 983, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 985, 970,
 &end
#
#    0 AMB  15-2:113     67 ASN  HN          2.80    (#    113:15  Single Ambig)
 &rst
  ixpk= 113, nxpk= 15, iat=  -1, 983, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 987, 988, 942, 943,
 &end
#
#  125 ASN  HB-         125 ASN  HN          2.80    (#    114:15  Unique         2.14, 2.57 A)
 &rst
  ixpk= 114, nxpk= 15, iat=  -1,1886, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1890,1891,
 &end
#
#  124 GLU  HB+         125 ASN  HN          3.50    (#    115:15  Unique         2.66, 3.14 A)
 &rst
  ixpk= 115, nxpk= 15, iat=  -1,1886, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1875,1876,
 &end
#
#   90 TRP  HB-          90 TRP  HN          3.50    (#    116:15  Unique         2.29, 2.96 A)
 &rst
  ixpk= 116, nxpk= 15, iat=  -1,1306, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1310,1311,
 &end
#
#    0 AMB  15-2:117    127 ILE  HN          2.80    (#    117:15  Single Ambig)
 &rst
  ixpk= 117, nxpk= 15, iat=  -1,1919, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1929,1930,1923,
 &end
#
#   61 THR  HA           62 SER  HN          3.50    (#    119:15  Unique         2.07, 3.02 A)
 &rst
  ixpk= 119, nxpk= 15, iat= 900, 912, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:122    110 GLU  HN          2.80    (#    122:15  Single Ambig)
 &rst
  ixpk= 122, nxpk= 15, iat=  -1,1625, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1627,1599,1600,
 &end
#
#  110 GLU  HB-         110 GLU  HN          2.80    (#    123:15  Unique         2.10, 2.91 A)
 &rst
  ixpk= 123, nxpk= 15, iat=  -1,1625, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1629,1630,
 &end
#
#   38 GLU  HB-          38 GLU  HN          4.50    (#    124:15  Unique         2.32, 3.36 A)
 &rst
  ixpk= 124, nxpk= 15, iat=  -1, 565, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 569, 570,
 &end
#
#   72 ASP  HB+          72 ASP  HN          2.80    (#    125:15  Unique         2.48, 2.57 A)
 &rst
  ixpk= 125, nxpk= 15, iat=  -1,1053, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1057,1058,
 &end
#
#   72 ASP  HA           72 ASP  HN          2.80    (#    126:15  Unique         2.84, 2.87 A)
 &rst
  ixpk= 126, nxpk= 15, iat=1055,1053, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   52 GLU  HA           52 GLU  HN          2.80    (#    127:15  Unique         2.79, 2.82 A)
 &rst
  ixpk= 127, nxpk= 15, iat= 777, 775, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   52 GLU  HG+          52 GLU  HN          2.80    (#    128:15  Unique         1.85, 2.46 A)
 &rst
  ixpk= 128, nxpk= 15, iat=  -1, 775, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 782, 783,
 &end
#
#   48 ALA  MB           49 MET  HN          2.80    (#    130:15  Unique         2.76, 3.62 A)
 &rst
  ixpk= 130, nxpk= 15, iat=  -1, 726, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 720, 721, 722,
 &end
#
#   49 MET  HB+          49 MET  HN          3.50    (#    131:15  Unique         2.43, 3.06 A)
 &rst
  ixpk= 131, nxpk= 15, iat=  -1, 726, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 730, 731,
 &end
#
#    0 AMB  15-2:132    129 LYS  HN          2.80    (#    132:15  Single Ambig)
 &rst
  ixpk= 132, nxpk= 15, iat=  -1,1948, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1952,1953,1952,1953,
 &end
#
#    0 AMB  15-2:133    129 LYS  HN          2.80    (#    133:15  Single Ambig)
 &rst
  ixpk= 133, nxpk= 15, iat=  -1,1948, r1= 0.00, r2= 1.80, r3= 3.66, r4= 4.41,
 igr1=1942,1943,1944,1980,1981,
 &end
#
#  121 GLU  HA          121 GLU  HN          2.80    (#    134:15  Unique         2.80, 2.81 A)
 &rst
  ixpk= 134, nxpk= 15, iat=1818,1816, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  121 GLU  HB-         121 GLU  HN          2.80    (#    135:15  Unique         2.32, 2.39 A)
 &rst
  ixpk= 135, nxpk= 15, iat=  -1,1816, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1820,1821,
 &end
#
#  120 LYS  HB-         121 GLU  HN          2.80    (#    136:15  Unique         2.34, 3.06 A)
 &rst
  ixpk= 136, nxpk= 15, iat=  -1,1816, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1798,1799,
 &end
#
#  107 GLN  HG-         107 GLN  HE2+        2.80    (#    137:15  Unique         2.21, 3.18 A)
 &rst
  ixpk= 137, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1585,1586,
 igr2=1590,1591,
 &end
#
#  107 GLN  HA          108 SER  HN          2.80    (#    138:15  Unique         2.50, 2.60 A)
 &rst
  ixpk= 138, nxpk= 15, iat=1580,1595, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:139    108 SER  HN          2.80    (#    139:15  Single Ambig)
 &rst
  ixpk= 139, nxpk= 15, iat=  -1,1595, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1599,1600,1597,
 &end
#
#  108 SER  HB+         108 SER  HN          2.80    (#    140:15  Unique         2.47, 3.05 A)
 &rst
  ixpk= 140, nxpk= 15, iat=  -1,1595, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1599,1600,
 &end
#
#  107 GLN  HB+         108 SER  HN          3.50    (#    141:15  Unique         1.94, 2.75 A)
 &rst
  ixpk= 141, nxpk= 15, iat=  -1,1595, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1582,1583,
 &end
#
#  107 GLN  HB-         108 SER  HN          2.80    (#    142:15  Unique         1.94, 2.75 A)
 &rst
  ixpk= 142, nxpk= 15, iat=  -1,1595, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1582,1583,
 &end
#
#   60 GLN  HA           61 THR  HN          3.50    (#    143:15  Unique         1.99, 2.24 A)
 &rst
  ixpk= 143, nxpk= 15, iat= 883, 898, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   93 GLN  HG-          93 GLN  HE2+        3.50    (#    144:15  Unique         2.20, 3.27 A)
 &rst
  ixpk= 144, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1367,1368,
 igr2=1372,1373,
 &end
#
#   24 THR  HB           24 THR  HN          2.80    (#    145:15  Unique         2.02, 2.07 A)
 &rst
  ixpk= 145, nxpk= 15, iat= 383, 379, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:148    130 ILE  HN          3.50    (#    148:15  Single Ambig)
 &rst
  ixpk= 148, nxpk= 15, iat=  -1,1970, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1952,1953,1952,1953,
 &end
#
#  130 ILE  HG1-        130 ILE  HN          2.80    (#    149:15  Unique         1.96, 2.71 A)
 &rst
  ixpk= 149, nxpk= 15, iat=  -1,1970, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1980,1981,
 &end
#
#  130 ILE  HG1+        130 ILE  HN          3.50    (#    150:15  Unique         1.96, 2.71 A)
 &rst
  ixpk= 150, nxpk= 15, iat=  -1,1970, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1980,1981,
 &end
#
#  130 ILE  QG2         130 ILE  HN          2.80    (#    151:15  Unique         2.29, 3.21 A)
 &rst
  ixpk= 151, nxpk= 15, iat=  -1,1970, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1976,1977,1978,
 &end
#
#   71 ASP  HB-          71 ASP  HN          2.80    (#    153:15  Unique         2.46, 2.54 A)
 &rst
  ixpk= 153, nxpk= 15, iat=  -1,1041, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1045,1046,
 &end
#
#    0 AMB  15-2:154     67 ASN  HD2-        3.50    (#    154:15  Single Ambig)
 &rst
  ixpk= 154, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 987, 988, 942, 943,
 igr2= 992, 993,
 &end
#
#   69 ASN  HA           70 ALA  HN          2.80    (#    155:15  Unique         2.29, 2.39 A)
 &rst
  ixpk= 155, nxpk= 15, iat=1019,1031, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   70 ALA  MB           70 ALA  HN          2.80    (#    156:15  Unique         2.50, 3.00 A)
 &rst
  ixpk= 156, nxpk= 15, iat=  -1,1031, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1035,1036,1037,
 &end
#
#  118 GLN  HG-         118 GLN  HE2+        2.80    (#    157:15  Unique         2.21, 3.28 A)
 &rst
  ixpk= 157, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1768,1769,
 igr2=1773,1774,
 &end
#
#  118 GLN  HG+         118 GLN  HE2+        3.50    (#    158:15  Unique         2.21, 3.28 A)
 &rst
  ixpk= 158, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1768,1769,
 igr2=1773,1774,
 &end
#
#  114 THR  MG2         118 GLN  HE2+        3.50    (#    159:15  Unique         3.09, 4.66 A)
 &rst
  ixpk= 159, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1706,1707,1708,
 igr2=1773,1774,
 &end
#
#   95 ILE  HA           96 PHE  HN          2.80    (#    161:15  Unique         2.14, 2.21 A)
 &rst
  ixpk= 161, nxpk= 15, iat=1394,1411, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   54 GLY  HA+          54 GLY  HN          2.80    (#    162:15  Unique         2.25, 2.60 A)
 &rst
  ixpk= 162, nxpk= 15, iat=  -1, 806, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 808, 809,
 &end
#
#   54 GLY  HA-          54 GLY  HN          2.80    (#    163:15  Unique         2.25, 2.60 A)
 &rst
  ixpk= 163, nxpk= 15, iat=  -1, 806, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 808, 809,
 &end
#
#    0 AMB  15-2:164      0 AMB  15-1:164    2.80    (#    164:15  Double Ambig)
 &rst
  ixpk= 164, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 885, 886, 848,
 igr2= 893, 894, 893, 894,
 &end
#
#   75 VAL  HA           76 VAL  HN          2.80    (#    165:15  Unique         2.13, 2.19 A)
 &rst
  ixpk= 165, nxpk= 15, iat=1100,1114, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   53 VAL  MGX          53 VAL  HN          3.50    (#    166:15  Unique         2.11, 3.48 A)
 &rst
  ixpk= 166, nxpk= 15, iat=  -1, 790, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 796, 797, 798, 800, 801, 802,
 &end
#
#   50 MET  HN           51 GLU  HN          2.80    (#    167:15  Unique         2.03, 2.11 A)
 &rst
  ixpk= 167, nxpk= 15, iat= 743, 760, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   52 GLU  HN           51 GLU  HN          2.80    (#    168:15  Unique         2.46, 2.53 A)
 &rst
  ixpk= 168, nxpk= 15, iat= 775, 760, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  111 VAL  HN          112 PHE  HN          2.80    (#    169:15  Unique         2.53, 2.58 A)
 &rst
  ixpk= 169, nxpk= 15, iat=1640,1656, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   26 GLY  HN           25 LEU  HN          2.80    (#    170:15  Unique         2.43, 2.51 A)
 &rst
  ixpk= 170, nxpk= 15, iat= 412, 393, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   24 THR  HN           25 LEU  HN          2.80    (#    171:15  Unique         2.52, 2.74 A)
 &rst
  ixpk= 171, nxpk= 15, iat= 379, 393, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:172      0 AMB  15-1:172    3.50    (#    172:15  Double Ambig)
 &rst
  ixpk= 172, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 983,1761,
 igr2= 968,1778,
 &end
#
#   75 VAL  HN           74 ASP  HN          3.50    (#    173:15  Unique         1.79, 2.21 A)
 &rst
  ixpk= 173, nxpk= 15, iat=1098,1086, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   30 ILE  HN           29 LYS  HN          2.80    (#    174:15  Unique         1.94, 2.13 A)
 &rst
  ixpk= 174, nxpk= 15, iat= 458, 436, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  111 VAL  HN          110 GLU  HN          2.80    (#    175:15  Unique         2.77, 2.82 A)
 &rst
  ixpk= 175, nxpk= 15, iat=1640,1625, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   26 GLY  HN           27 ALA  HN          2.80    (#    176:15  Unique         2.59, 2.67 A)
 &rst
  ixpk= 176, nxpk= 15, iat= 412, 419, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   54 GLY  HN           53 VAL  HN          2.80    (#    179:15  Unique         2.16, 2.45 A)
 &rst
  ixpk= 179, nxpk= 15, iat= 806, 790, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   25 LEU  HN           26 GLY  HN          2.80    (#    180:15  Unique         2.43, 2.51 A)
 &rst
  ixpk= 180, nxpk= 15, iat= 393, 412, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  119 VAL  HN          118 GLN  HN          3.50    (#    181:15  Unique         2.74, 2.90 A)
 &rst
  ixpk= 181, nxpk= 15, iat=1778,1761, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  112 PHE  HN          111 VAL  HN          2.80    (#    182:15  Unique         2.53, 2.58 A)
 &rst
  ixpk= 182, nxpk= 15, iat=1656,1640, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   51 GLU  HN           52 GLU  HN          2.80    (#    183:15  Unique         2.46, 2.53 A)
 &rst
  ixpk= 183, nxpk= 15, iat= 760, 775, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   74 ASP  HN           75 VAL  HN          3.50    (#    184:15  Unique         1.79, 2.21 A)
 &rst
  ixpk= 184, nxpk= 15, iat=1086,1098, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   25 LEU  HN           24 THR  HN          2.80    (#    185:15  Unique         2.52, 2.74 A)
 &rst
  ixpk= 185, nxpk= 15, iat= 393, 379, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   23 LYS  HN           24 THR  HN          2.80    (#    186:15  Unique         2.61, 2.73 A)
 &rst
  ixpk= 186, nxpk= 15, iat= 357, 379, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   29 LYS  HN           30 ILE  HN          2.80    (#    187:15  Unique         1.94, 2.13 A)
 &rst
  ixpk= 187, nxpk= 15, iat= 436, 458, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:188     90 TRP  HN          2.80    (#    188:15  Single Ambig)
 &rst
  ixpk= 188, nxpk= 15, iat=  -1,1306, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1330,1314,
 &end
#
#   53 VAL  HN           54 GLY  HN          2.80    (#    189:15  Unique         2.16, 2.45 A)
 &rst
  ixpk= 189, nxpk= 15, iat= 790, 806, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   65 ILE  QG2          65 ILE  HN          4.50    (#    192:15  Unique         2.19, 3.21 A)
 &rst
  ixpk= 192, nxpk= 15, iat=  -1, 949, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 955, 956, 957,
 &end
#
#   65 ILE  HB           65 ILE  HN          3.50    (#    193:15  Unique         2.07, 2.23 A)
 &rst
  ixpk= 193, nxpk= 15, iat= 953, 949, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    1 MET  HB+           1 MET  HN          5.50    (#    196:15  Unique         2.40, 3.29 A)
 &rst
  ixpk= 196, nxpk= 15, iat=  -1,   2, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=   8,   9,
 &end
#
#   30 ILE  HA            2 LYS  HN          3.50    (#    197:15  Unique         2.27, 2.81 A)
 &rst
  ixpk= 197, nxpk= 15, iat= 460,  21, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   31 ALA  HN            2 LYS  HN          5.50    (#    198:15  Unique         3.67, 4.19 A)
 &rst
  ixpk= 198, nxpk= 15, iat= 477,  21, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    2 LYS  HB-           2 LYS  HN          3.50    (#    199:15  Unique         2.82, 3.34 A)
 &rst
  ixpk= 199, nxpk= 15, iat=  -1,  21, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=  25,  26,
 &end
#
#    3 LYS  HA            3 LYS  HN          3.50    (#    200:15  Unique         2.95, 2.97 A)
 &rst
  ixpk= 200, nxpk= 15, iat=  45,  43, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   74 ASP  HN            3 LYS  HN          5.50    (#    201:15  Unique         2.53, 2.79 A)
 &rst
  ixpk= 201, nxpk= 15, iat=1086,  43, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   74 ASP  HB+           3 LYS  HN          5.50    (#    202:15  Unique         2.59, 3.04 A)
 &rst
  ixpk= 202, nxpk= 15, iat=  -1,  43, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1090,1091,
 &end
#
#   74 ASP  HB-           3 LYS  HN          3.50    (#    203:15  Unique         2.59, 3.04 A)
 &rst
  ixpk= 203, nxpk= 15, iat=  -1,  43, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1090,1091,
 &end
#
#    2 LYS  HB+           3 LYS  HN          5.50    (#    204:15  Unique         3.11, 3.75 A)
 &rst
  ixpk= 204, nxpk= 15, iat=  -1,  43, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  25,  26,
 &end
#
#    3 LYS  HB+           3 LYS  HN          3.50    (#    205:15  Unique         2.54, 3.20 A)
 &rst
  ixpk= 205, nxpk= 15, iat=  -1,  43, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=  47,  48,
 &end
#
#    3 LYS  HG+           3 LYS  HN          4.50    (#    206:15  Unique         2.37, 3.11 A)
 &rst
  ixpk= 206, nxpk= 15, iat=  -1,  43, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=  50,  51,
 &end
#
#    3 LYS  HG-           3 LYS  HN          5.50    (#    207:15  Unique         2.37, 3.11 A)
 &rst
  ixpk= 207, nxpk= 15, iat=  -1,  43, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  50,  51,
 &end
#
#    4 VAL  HA            4 VAL  HN          3.50    (#    208:15  Unique         2.95, 2.97 A)
 &rst
  ixpk= 208, nxpk= 15, iat=  67,  65, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    3 LYS  HN            4 VAL  HN          5.50    (#    209:15  Unique         4.48, 4.56 A)
 &rst
  ixpk= 209, nxpk= 15, iat=  43,  65, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:210      4 VAL  HN          5.50    (#    210:15  Single Ambig)
 &rst
  ixpk= 210, nxpk= 15, iat=  -1,  65, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1102, 491,
 &end
#
#   31 ALA  MB            4 VAL  HN          3.50    (#    211:15  Unique         3.58, 4.54 A)
 &rst
  ixpk= 211, nxpk= 15, iat=  -1,  65, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 481, 482, 483,
 &end
#
#   32 VAL  MGY           4 VAL  HN          5.50    (#    212:15  Unique         3.91, 5.47 A)
 &rst
  ixpk= 212, nxpk= 15, iat=  -1,  65, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 493, 494, 495, 497, 498, 499,
 &end
#
#    0 AMB  15-2:213      4 VAL  HN          4.50    (#    213:15  Single Ambig)
 &rst
  ixpk= 213, nxpk= 15, iat=  -1,  65, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 493, 494, 495, 497, 498, 499,1104,1105,1106,1108,
      1109,1110,
 &end
#
#    4 VAL  MGX           4 VAL  HN          4.50    (#    214:15  Unique         2.35, 4.03 A)
 &rst
  ixpk= 214, 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
#
#    6 PHE  HD            5 MET  HN          4.50    (#    216:15  Unique         4.09, 5.49 A)
 &rst
  ixpk= 216, nxpk= 15, iat=  -1,  81, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 106, 114,
 &end
#
#    0 AMB  15-2:217      5 MET  HN          5.50    (#    217:15  Single Ambig)
 &rst
  ixpk= 217, nxpk= 15, iat=  -1,  81, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 507, 521, 522, 307,
 &end
#
#    5 MET  HB-           5 MET  HN          4.50    (#    218:15  Unique         2.74, 3.39 A)
 &rst
  ixpk= 218, nxpk= 15, iat=  -1,  81, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=  85,  86,
 &end
#
#    5 MET  HG+           5 MET  HN          4.50    (#    219:15  Unique         3.29, 3.88 A)
 &rst
  ixpk= 219, nxpk= 15, iat=  -1,  81, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=  88,  89,
 &end
#
#    0 AMB  15-2:220      5 MET  HN          3.50    (#    220:15  Single Ambig)
 &rst
  ixpk= 220, nxpk= 15, iat=  -1,  81, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1=1120,1121,1122,1124,1125,1126, 493, 494, 495, 497,
       498, 499,1909,1910,1911,1913,1914,1915,1909,1910,
      1911,1913,1914,1915,
 &end
#
#    4 VAL  MGX           5 MET  HN          3.50    (#    221:15  Unique         2.15, 4.03 A)
 &rst
  ixpk= 221, nxpk= 15, iat=  -1,  81, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=  71,  72,  73,  75,  76,  77,
 &end
#
#    4 VAL  MGY           5 MET  HN          4.50    (#    222:15  Unique         2.15, 4.03 A)
 &rst
  ixpk= 222, 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
#
#   18 ALA  HA           18 ALA  HN          3.50    (#    223:15  Unique         2.22, 2.80 A)
 &rst
  ixpk= 223, nxpk= 15, iat= 297, 295, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   17 MET  HN           18 ALA  HN          3.50    (#    224:15  Unique         2.03, 2.72 A)
 &rst
  ixpk= 224, nxpk= 15, iat= 278, 295, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   17 MET  HB+          18 ALA  HN          4.50    (#    225:15  Unique         1.81, 3.11 A)
 &rst
  ixpk= 225, nxpk= 15, iat=  -1, 295, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 282, 283,
 &end
#
#   19 GLU  HG-          18 ALA  HN          5.50    (#    226:15  Unique         4.05, 5.67 A)
 &rst
  ixpk= 226, nxpk= 15, iat=  -1, 295, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 312, 313,
 &end
#
#    0 AMB  15-2:227     18 ALA  HN          3.50    (#    227:15  Single Ambig)
 &rst
  ixpk= 227, nxpk= 15, iat=  -1, 295, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1784,1785,1786,1788,1789,1790,1508,1509,1510,1512,
      1513,1514,
 &end
#
#   18 ALA  MB           18 ALA  HN          2.80    (#    228:15  Unique         2.42, 2.96 A)
 &rst
  ixpk= 228, nxpk= 15, iat=  -1, 295, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 299, 300, 301,
 &end
#
#   18 ALA  MB           19 GLU  HN          3.50    (#    229:15  Unique         2.28, 3.32 A)
 &rst
  ixpk= 229, nxpk= 15, iat=  -1, 305, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 299, 300, 301,
 &end
#
#   19 GLU  HB+          19 GLU  HN          3.50    (#    230:15  Unique         2.31, 3.02 A)
 &rst
  ixpk= 230, nxpk= 15, iat=  -1, 305, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 309, 310,
 &end
#
#   19 GLU  HA           19 GLU  HN          3.50    (#    231:15  Unique         2.84, 2.87 A)
 &rst
  ixpk= 231, nxpk= 15, iat= 307, 305, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   18 ALA  HN           19 GLU  HN          3.50    (#    232:15  Unique         2.68, 2.96 A)
 &rst
  ixpk= 232, nxpk= 15, iat= 295, 305, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   19 GLU  HN           20 GLY  HN          3.50    (#    233:15  Unique         2.38, 2.61 A)
 &rst
  ixpk= 233, nxpk= 15, iat= 305, 320, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   60 GLN  HE2-         20 GLY  HN          4.50    (#    234:15  Unique         3.52, 4.92 A)
 &rst
  ixpk= 234, nxpk= 15, iat=  -1, 320, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 893, 894,
 &end
#
#   17 MET  HA           20 GLY  HN          4.50    (#    235:15  Unique         2.39, 3.43 A)
 &rst
  ixpk= 235, nxpk= 15, iat= 280, 320, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   20 GLY  HA+          20 GLY  HN          2.80    (#    236:15  Unique         2.27, 2.55 A)
 &rst
  ixpk= 236, nxpk= 15, iat=  -1, 320, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 322, 323,
 &end
#
#   19 GLU  HB+          20 GLY  HN          4.50    (#    237:15  Unique         3.69, 3.95 A)
 &rst
  ixpk= 237, nxpk= 15, iat=  -1, 320, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 309, 310,
 &end
#
#   32 VAL  MGY          20 GLY  HN          5.50    (#    238:15  Unique         5.12, 6.73 A)
 &rst
  ixpk= 238, nxpk= 15, iat=  -1, 320, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 493, 494, 495, 497, 498, 499,
 &end
#
#   17 MET  ME           20 GLY  HN          4.50    (#    239:15  Unique         3.77, 5.11 A)
 &rst
  ixpk= 239, nxpk= 15, iat=  -1, 320, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 289, 290, 291,
 &end
#
#   57 ILE  QG2          20 GLY  HN          3.50    (#    240:15  Unique         2.86, 3.82 A)
 &rst
  ixpk= 240, nxpk= 15, iat=  -1, 320, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 850, 851, 852,
 &end
#
#   17 MET  ME           21 PHE  HN          2.80    (#    241:15  Unique         2.88, 3.91 A)
 &rst
  ixpk= 241, nxpk= 15, iat=  -1, 327, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 289, 290, 291,
 &end
#
#  123 VAL  MGX          21 PHE  HN          5.50    (#    242:15  Unique         4.14, 5.48 A)
 &rst
  ixpk= 242, nxpk= 15, iat=  -1, 327, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1861,1862,1863,1865,1866,1867,
 &end
#
#   20 GLY  HA-          21 PHE  HN          3.50    (#    243:15  Unique         2.61, 3.18 A)
 &rst
  ixpk= 243, nxpk= 15, iat=  -1, 327, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 322, 323,
 &end
#
#   18 ALA  HA           21 PHE  HN          4.50    (#    244:15  Unique         3.34, 3.70 A)
 &rst
  ixpk= 244, nxpk= 15, iat= 297, 327, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   17 MET  HA           21 PHE  HN          5.50    (#    245:15  Unique         2.87, 3.78 A)
 &rst
  ixpk= 245, nxpk= 15, iat= 280, 327, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   21 PHE  HA           21 PHE  HN          3.50    (#    246:15  Unique         2.81, 2.85 A)
 &rst
  ixpk= 246, nxpk= 15, iat= 329, 327, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   21 PHE  HD           21 PHE  HN          3.50    (#    247:15  Unique         3.02, 3.99 A)
 &rst
  ixpk= 247, nxpk= 15, iat=  -1, 327, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 335, 343,
 &end
#
#   20 GLY  HN           21 PHE  HN          3.50    (#    248:15  Unique         2.68, 2.91 A)
 &rst
  ixpk= 248, nxpk= 15, iat= 320, 327, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   22 ALA  HN           21 PHE  HN          3.50    (#    249:15  Unique         2.63, 2.78 A)
 &rst
  ixpk= 249, nxpk= 15, iat= 347, 327, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   23 LYS  HN           22 ALA  HN          3.50    (#    250:15  Unique         2.62, 2.77 A)
 &rst
  ixpk= 250, nxpk= 15, iat= 357, 347, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   21 PHE  HN           22 ALA  HN          3.50    (#    251:15  Unique         2.63, 2.78 A)
 &rst
  ixpk= 251, nxpk= 15, iat= 327, 347, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   22 ALA  HA           22 ALA  HN          3.50    (#    252:15  Unique         2.80, 2.85 A)
 &rst
  ixpk= 252, nxpk= 15, iat= 349, 347, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   19 GLU  HA           22 ALA  HN          4.50    (#    253:15  Unique         3.02, 3.31 A)
 &rst
  ixpk= 253, nxpk= 15, iat= 307, 347, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   21 PHE  HB-          22 ALA  HN          3.50    (#    254:15  Unique         2.96, 3.32 A)
 &rst
  ixpk= 254, nxpk= 15, iat=  -1, 347, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 331, 332,
 &end
#
#  123 VAL  MGX          22 ALA  HN          5.50    (#    255:15  Unique         2.62, 4.27 A)
 &rst
  ixpk= 255, nxpk= 15, iat=  -1, 347, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1861,1862,1863,1865,1866,1867,
 &end
#
#  123 VAL  MGY          22 ALA  HN          3.50    (#    256:15  Unique         2.62, 4.27 A)
 &rst
  ixpk= 256, nxpk= 15, iat=  -1, 347, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1861,1862,1863,1865,1866,1867,
 &end
#
#    0 AMB  15-2:257     23 LYS  HN          2.80    (#    257:15  Single Ambig)
 &rst
  ixpk= 257, nxpk= 15, iat=  -1, 357, r1= 0.00, r2= 1.80, r3= 3.66, r4= 4.41,
 igr1= 364, 365, 351, 352, 353,
 &end
#
#   32 VAL  MGX          23 LYS  HN          4.50    (#    258:15  Unique         2.46, 4.34 A)
 &rst
  ixpk= 258, nxpk= 15, iat=  -1, 357, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 493, 494, 495, 497, 498, 499,
 &end
#
#   23 LYS  HB+          23 LYS  HN          3.50    (#    259:15  Unique         1.97, 2.89 A)
 &rst
  ixpk= 259, nxpk= 15, iat=  -1, 357, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 361, 362,
 &end
#
#   23 LYS  HA           23 LYS  HN          3.50    (#    260:15  Unique         2.84, 2.88 A)
 &rst
  ixpk= 260, nxpk= 15, iat= 359, 357, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   24 THR  HN           23 LYS  HN          3.50    (#    261:15  Unique         2.61, 2.73 A)
 &rst
  ixpk= 261, nxpk= 15, iat= 379, 357, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   22 ALA  HN           23 LYS  HN          4.50    (#    262:15  Unique         2.62, 2.77 A)
 &rst
  ixpk= 262, nxpk= 15, iat= 347, 357, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   22 ALA  HN           24 THR  HN          5.50    (#    263:15  Unique         3.91, 4.08 A)
 &rst
  ixpk= 263, nxpk= 15, iat= 347, 379, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   26 GLY  HN           24 THR  HN          4.50    (#    264:15  Unique         3.84, 4.01 A)
 &rst
  ixpk= 264, nxpk= 15, iat= 412, 379, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   25 LEU  HA           24 THR  HN          5.50    (#    267:15  Unique         5.18, 5.39 A)
 &rst
  ixpk= 267, nxpk= 15, iat= 395, 379, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   25 LEU  HA           25 LEU  HN          3.50    (#    268:15  Unique         2.88, 2.89 A)
 &rst
  ixpk= 268, nxpk= 15, iat= 395, 393, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   22 ALA  HA           25 LEU  HN          5.50    (#    269:15  Unique         3.37, 3.46 A)
 &rst
  ixpk= 269, nxpk= 15, iat= 349, 393, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   26 GLY  HA-          25 LEU  HN          5.50    (#    270:15  Unique         4.65, 4.99 A)
 &rst
  ixpk= 270, nxpk= 15, iat=  -1, 393, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 414, 415,
 &end
#
#   25 LEU  HB-          25 LEU  HN          3.50    (#    271:15  Unique         2.31, 2.96 A)
 &rst
  ixpk= 271, nxpk= 15, iat=  -1, 393, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 397, 398,
 &end
#
#   24 THR  MG2          25 LEU  HN          3.50    (#    272:15  Unique         2.78, 3.74 A)
 &rst
  ixpk= 272, nxpk= 15, iat=  -1, 393, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 385, 386, 387,
 &end
#
#    0 AMB  15-2:273     25 LEU  HN          3.50    (#    273:15  Single Ambig)
 &rst
  ixpk= 273, nxpk= 15, iat=  -1, 393, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 402, 403, 404, 406, 407, 408,1861,1862,1863,1865,
      1866,1867,
 &end
#
#    0 AMB  15-2:274     25 LEU  HN          5.50    (#    274:15  Single Ambig)
 &rst
  ixpk= 274, nxpk= 15, iat=  -1, 393, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1932,1933,1934, 471, 472, 473,
 &end
#
#   22 ALA  HA           26 GLY  HN          5.50    (#    275:15  Unique         2.92, 3.22 A)
 &rst
  ixpk= 275, nxpk= 15, iat= 349, 412, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:276     26 GLY  HN          3.50    (#    276:15  Single Ambig)
 &rst
  ixpk= 276, nxpk= 15, iat=  -1, 412, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1932,1933,1934, 471, 472, 473,
 &end
#
#    0 AMB  15-2:277     26 GLY  HN          4.50    (#    277:15  Single Ambig)
 &rst
  ixpk= 277, nxpk= 15, iat=  -1, 412, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 402, 403, 404, 406, 407, 408,1861,1862,1863,1865,
      1866,1867,
 &end
#
#    0 AMB  15-2:278     26 GLY  HN          5.50    (#    278:15  Single Ambig)
 &rst
  ixpk= 278, nxpk= 15, iat=  -1, 412, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1= 468, 469, 385, 386, 387,
 &end
#
#   25 LEU  HB-          26 GLY  HN          4.50    (#    279:15  Unique         2.54, 3.16 A)
 &rst
  ixpk= 279, nxpk= 15, iat=  -1, 412, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 397, 398,
 &end
#
#   25 LEU  HG           26 GLY  HN          5.50    (#    280:15  Unique         4.29, 4.35 A)
 &rst
  ixpk= 280, nxpk= 15, iat= 400, 412, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   27 ALA  HN           26 GLY  HN          2.80    (#    281:15  Unique         2.59, 2.67 A)
 &rst
  ixpk= 281, nxpk= 15, iat= 419, 412, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   24 THR  HN           26 GLY  HN          4.50    (#    282:15  Unique         3.84, 4.01 A)
 &rst
  ixpk= 282, nxpk= 15, iat= 379, 412, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   25 LEU  HN           27 ALA  HN          5.50    (#    283:15  Unique         3.92, 4.03 A)
 &rst
  ixpk= 283, nxpk= 15, iat= 393, 419, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   26 GLY  HA-          27 ALA  HN          3.50    (#    288:15  Unique         3.08, 3.34 A)
 &rst
  ixpk= 288, nxpk= 15, iat=  -1, 419, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 414, 415,
 &end
#
#    0 AMB  15-2:289     27 ALA  HN          5.50    (#    289:15  Single Ambig)
 &rst
  ixpk= 289, nxpk= 15, iat=  -1, 419, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 397, 398, 446, 447, 440, 441,
 &end
#
#    0 AMB  15-2:290     27 ALA  HN          5.50    (#    290:15  Single Ambig)
 &rst
  ixpk= 290, nxpk= 15, iat=  -1, 419, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1= 468, 469, 385, 386, 387,
 &end
#
#    0 AMB  15-2:291     27 ALA  HN          4.50    (#    291:15  Single Ambig)
 &rst
  ixpk= 291, nxpk= 15, iat=  -1, 419, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1932,1933,1934, 471, 472, 473,
 &end
#
#   27 ALA  MB           28 GLY  HN          5.50    (#    292:15  Unique         2.51, 3.87 A)
 &rst
  ixpk= 292, nxpk= 15, iat=  -1, 429, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 423, 424, 425,
 &end
#
#   28 GLY  HA-          28 GLY  HN          5.50    (#    293:15  Unique         2.26, 2.59 A)
 &rst
  ixpk= 293, nxpk= 15, iat=  -1, 429, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 431, 432,
 &end
#
#   28 GLY  HA+          28 GLY  HN          3.50    (#    294:15  Unique         2.26, 2.59 A)
 &rst
  ixpk= 294, nxpk= 15, iat=  -1, 429, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 431, 432,
 &end
#
#   28 GLY  HA-          29 LYS  HN          5.50    (#    296:15  Unique         2.84, 3.36 A)
 &rst
  ixpk= 296, nxpk= 15, iat=  -1, 436, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 431, 432,
 &end
#
#   28 GLY  HA+          29 LYS  HN          4.50    (#    297:15  Unique         2.84, 3.36 A)
 &rst
  ixpk= 297, nxpk= 15, iat=  -1, 436, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 431, 432,
 &end
#
#   29 LYS  HA           29 LYS  HN          3.50    (#    298:15  Unique         2.92, 2.99 A)
 &rst
  ixpk= 298, nxpk= 15, iat= 438, 436, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   30 ILE  HA           30 ILE  HN          3.50    (#    299:15  Unique         2.94, 2.96 A)
 &rst
  ixpk= 299, nxpk= 15, iat= 460, 458, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   29 LYS  HA           30 ILE  HN          4.50    (#    300:15  Unique         3.56, 3.59 A)
 &rst
  ixpk= 300, nxpk= 15, iat= 438, 458, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:301     30 ILE  HN          5.50    (#    301:15  Single Ambig)
 &rst
  ixpk= 301, nxpk= 15, iat=  -1, 458, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 421, 431, 432,
 &end
#
#   26 GLY  HA-          30 ILE  HN          4.50    (#    302:15  Unique         3.50, 3.79 A)
 &rst
  ixpk= 302, nxpk= 15, iat=  -1, 458, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 414, 415,
 &end
#
#    0 AMB  15-2:303     30 ILE  HN          3.50    (#    303:15  Single Ambig)
 &rst
  ixpk= 303, nxpk= 15, iat=  -1, 458, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
 igr1= 440, 441,  15,  16,  17,
 &end
#
#   29 LYS  HB-          30 ILE  HN          4.50    (#    304:15  Unique         2.37, 3.58 A)
 &rst
  ixpk= 304, nxpk= 15, iat=  -1, 458, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 440, 441,
 &end
#
#   30 ILE  HG1-         30 ILE  HN          3.50    (#    305:15  Unique         2.29, 2.76 A)
 &rst
  ixpk= 305, nxpk= 15, iat=  -1, 458, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 468, 469,
 &end
#
#   30 ILE  HG1+         30 ILE  HN          2.80    (#    306:15  Unique         2.29, 2.76 A)
 &rst
  ixpk= 306, nxpk= 15, iat=  -1, 458, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 468, 469,
 &end
#
#   30 ILE  QG2          30 ILE  HN          3.50    (#    307:15  Unique         3.17, 4.00 A)
 &rst
  ixpk= 307, nxpk= 15, iat=  -1, 458, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 464, 465, 466,
 &end
#
#    4 VAL  MGY          31 ALA  HN          3.50    (#    308:15  Unique         2.54, 5.18 A)
 &rst
  ixpk= 308, nxpk= 15, iat=  -1, 477, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=  71,  72,  73,  75,  76,  77,
 &end
#
#   30 ILE  QG2          31 ALA  HN          4.50    (#    309:15  Unique         3.76, 4.48 A)
 &rst
  ixpk= 309, nxpk= 15, iat=  -1, 477, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 464, 465, 466,
 &end
#
#    2 LYS  HB-          31 ALA  HN          5.50    (#    310:15  Unique         4.04, 4.93 A)
 &rst
  ixpk= 310, nxpk= 15, iat=  -1, 477, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  25,  26,
 &end
#
#    1 MET  HG-          31 ALA  HN          4.50    (#    311:15  Unique         2.79, 4.04 A)
 &rst
  ixpk= 311, nxpk= 15, iat=  -1, 477, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=  11,  12,
 &end
#
#   31 ALA  HA           31 ALA  HN          3.50    (#    312:15  Unique         2.98, 3.00 A)
 &rst
  ixpk= 312, nxpk= 15, iat= 479, 477, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   32 VAL  HA           32 VAL  HN          3.50    (#    313:15  Unique         2.92, 2.97 A)
 &rst
  ixpk= 313, nxpk= 15, iat= 489, 487, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:314     32 VAL  HN          5.50    (#    314:15  Single Ambig)
 &rst
  ixpk= 314, nxpk= 15, iat=  -1, 487, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=  69, 462, 367, 368,
 &end
#
#    0 AMB  15-2:315     32 VAL  HN          4.50    (#    315:15  Single Ambig)
 &rst
  ixpk= 315, nxpk= 15, iat=  -1, 487, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
 igr1= 364, 365,  47,  48, 351, 352, 353,
 &end
#
#   32 VAL  MGY          32 VAL  HN          4.50    (#    317:15  Unique         2.07, 3.96 A)
 &rst
  ixpk= 317, nxpk= 15, iat=  -1, 487, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 493, 494, 495, 497, 498, 499,
 &end
#
#    0 AMB  15-2:318     33 THR  HN          5.50    (#    318:15  Single Ambig)
 &rst
  ixpk= 318, nxpk= 15, iat=  -1, 503, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1=  71,  72,  73,  75,  76,  77,  92,  93,  94,
 &end
#
#   33 THR  MG2          33 THR  HN          4.50    (#    319:15  Unique         4.29, 4.62 A)
 &rst
  ixpk= 319, nxpk= 15, iat=  -1, 503, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 509, 510, 511,
 &end
#
#   32 VAL  MGY          33 THR  HN          2.80    (#    320:15  Unique         2.69, 4.33 A)
 &rst
  ixpk= 320, nxpk= 15, iat=  -1, 503, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 493, 494, 495, 497, 498, 499,
 &end
#
#    4 VAL  HB           33 THR  HN          4.50    (#    321:15  Unique         3.59, 3.80 A)
 &rst
  ixpk= 321, nxpk= 15, iat=  69, 503, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   32 VAL  HB           33 THR  HN          4.50    (#    322:15  Unique         3.97, 4.14 A)
 &rst
  ixpk= 322, nxpk= 15, iat= 491, 503, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   33 THR  HB           33 THR  HN          3.50    (#    323:15  Unique         2.41, 2.49 A)
 &rst
  ixpk= 323, nxpk= 15, iat= 507, 503, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   33 THR  HA           33 THR  HN          3.50    (#    324:15  Unique         2.92, 2.95 A)
 &rst
  ixpk= 324, nxpk= 15, iat= 505, 503, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    6 PHE  HD           33 THR  HN          5.50    (#    326:15  Unique         4.16, 7.00 A)
 &rst
  ixpk= 326, nxpk= 15, iat=  -1, 503, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 106, 114,
 &end
#
#   34 SER  HA           34 SER  HN          4.50    (#    327:15  Unique         2.19, 2.41 A)
 &rst
  ixpk= 327, nxpk= 15, iat= 519, 517, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   32 VAL  MGY          34 SER  HN          5.50    (#    331:15  Unique         3.36, 5.82 A)
 &rst
  ixpk= 331, nxpk= 15, iat=  -1, 517, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 493, 494, 495, 497, 498, 499,
 &end
#
#   35 SER  HB-          35 SER  HN          5.50    (#    332:15  Unique         2.46, 3.09 A)
 &rst
  ixpk= 332, nxpk= 15, iat=  -1, 528, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 532, 533,
 &end
#
#   35 SER  HA           35 SER  HN          5.50    (#    335:15  Unique         2.38, 2.79 A)
 &rst
  ixpk= 335, nxpk= 15, iat= 530, 528, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   34 SER  HA           35 SER  HN          3.50    (#    336:15  Unique         2.09, 2.58 A)
 &rst
  ixpk= 336, nxpk= 15, iat= 519, 528, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   35 SER  HA           36 GLY  HN          3.50    (#    338:15  Unique         2.18, 2.39 A)
 &rst
  ixpk= 338, nxpk= 15, iat= 530, 539, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   36 GLY  HA+          36 GLY  HN          3.50    (#    339:15  Unique         2.27, 2.68 A)
 &rst
  ixpk= 339, nxpk= 15, iat=  -1, 539, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 541, 542,
 &end
#
#   35 SER  HB+          36 GLY  HN          3.50    (#    341:15  Unique         2.20, 3.26 A)
 &rst
  ixpk= 341, nxpk= 15, iat=  -1, 539, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 532, 533,
 &end
#
#   35 SER  HB-          36 GLY  HN          4.50    (#    342:15  Unique         2.20, 3.26 A)
 &rst
  ixpk= 342, nxpk= 15, iat=  -1, 539, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 532, 533,
 &end
#
#   38 GLU  HA           38 GLU  HN          2.80    (#    345:15  Unique         2.21, 2.66 A)
 &rst
  ixpk= 345, nxpk= 15, iat= 567, 565, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   37 LEU  HA           38 GLU  HN          3.50    (#    346:15  Unique         2.17, 2.95 A)
 &rst
  ixpk= 346, nxpk= 15, iat= 548, 565, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:347     38 GLU  HN          3.50    (#    347:15  Single Ambig)
 &rst
  ixpk= 347, nxpk= 15, iat=  -1, 565, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 569, 570, 942, 943,
 &end
#
#   37 LEU  HB+          38 GLU  HN          4.50    (#    348:15  Unique         1.81, 3.31 A)
 &rst
  ixpk= 348, nxpk= 15, iat=  -1, 565, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 550, 551,
 &end
#
#   37 LEU  MDX          38 GLU  HN          4.50    (#    349:15  Unique         3.54, 5.46 A)
 &rst
  ixpk= 349, nxpk= 15, iat=  -1, 565, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 555, 556, 557, 559, 560, 561,
 &end
#
#   38 GLU  HB-          39 SER  HN          4.50    (#    350:15  Unique         1.84, 3.43 A)
 &rst
  ixpk= 350, nxpk= 15, iat=  -1, 580, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 569, 570,
 &end
#
#   38 GLU  HB+          39 SER  HN          3.50    (#    351:15  Unique         1.84, 3.43 A)
 &rst
  ixpk= 351, nxpk= 15, iat=  -1, 580, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 569, 570,
 &end
#
#   39 SER  HB+          39 SER  HN          3.50    (#    352:15  Unique         2.37, 3.49 A)
 &rst
  ixpk= 352, nxpk= 15, iat=  -1, 580, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 584, 585,
 &end
#
#   38 GLU  HA           39 SER  HN          3.50    (#    353:15  Unique         2.12, 2.89 A)
 &rst
  ixpk= 353, nxpk= 15, iat= 567, 580, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  109 LEU  MDX         110 GLU  HN          5.50    (#    355:15  Unique         4.20, 5.68 A)
 &rst
  ixpk= 355, nxpk= 15, iat=  -1,1625, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1615,1616,1617,1619,1620,1621,
 &end
#
#  111 VAL  MGY         110 GLU  HN          4.50    (#    356:15  Unique         4.04, 6.23 A)
 &rst
  ixpk= 356, nxpk= 15, iat=  -1,1625, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1646,1647,1648,1650,1651,1652,
 &end
#
#  109 LEU  HB-         110 GLU  HN          3.50    (#    357:15  Unique         2.56, 3.27 A)
 &rst
  ixpk= 357, nxpk= 15, iat=  -1,1625, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1610,1611,
 &end
#
#  113 ARG  HD-         110 GLU  HN          4.50    (#    360:15  Unique         3.94, 5.20 A)
 &rst
  ixpk= 360, nxpk= 15, iat=  -1,1625, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1686,1687,
 &end
#
#    0 AMB  15-2:361     40 SER  HN          2.80    (#    361:15  Single Ambig)
 &rst
  ixpk= 361, nxpk= 15, iat=  -1, 591, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 584, 585, 595, 596,
 &end
#
#  109 LEU  HN          110 GLU  HN          3.50    (#    362:15  Unique         2.71, 2.90 A)
 &rst
  ixpk= 362, nxpk= 15, iat=1606,1625, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   93 GLN  HG+          94 GLU  HN          4.50    (#    364:15  Unique         4.34, 4.61 A)
 &rst
  ixpk= 364, nxpk= 15, iat=  -1,1377, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1367,1368,
 &end
#
#  102 GLU  HB-         103 ASP  HN          3.50    (#    365:15  Unique         2.59, 3.55 A)
 &rst
  ixpk= 365, nxpk= 15, iat=  -1,1533, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1522,1523,
 &end
#
#   93 GLN  HB-          94 GLU  HN          2.80    (#    366:15  Unique         2.02, 2.77 A)
 &rst
  ixpk= 366, nxpk= 15, iat=  -1,1377, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1364,1365,
 &end
#
#   42 VAL  HA           42 VAL  HN          3.50    (#    367:15  Unique         2.78, 2.88 A)
 &rst
  ixpk= 367, nxpk= 15, iat= 628, 626, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   43 HIS  HA           43 HIS  HN          5.50    (#    369:15  Unique         2.13, 2.85 A)
 &rst
  ixpk= 369, nxpk= 15, iat= 644, 642, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   42 VAL  HA           43 HIS  HN          2.80    (#    370:15  Unique         2.31, 2.58 A)
 &rst
  ixpk= 370, nxpk= 15, iat= 628, 642, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   43 HIS  HB-          43 HIS  HN          3.50    (#    371:15  Unique         2.15, 2.77 A)
 &rst
  ixpk= 371, nxpk= 15, iat=  -1, 642, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 646, 647,
 &end
#
#    0 AMB  15-2:372     43 HIS  HN          5.50    (#    372:15  Single Ambig)
 &rst
  ixpk= 372, nxpk= 15, iat=  -1, 642, r1= 0.00, r2= 1.80, r3= 7.61, r4= 8.36,
 igr1= 691, 692, 693, 265, 266, 268, 269,
 &end
#
#   42 VAL  MGX          43 HIS  HN          4.50    (#    373:15  Unique         2.42, 4.36 A)
 &rst
  ixpk= 373, nxpk= 15, iat=  -1, 642, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 632, 633, 634, 636, 637, 638,
 &end
#
#    0 AMB  15-2:375     46 ALA  HN          5.50    (#    375:15  Single Ambig)
 &rst
  ixpk= 375, nxpk= 15, iat=  -1, 687, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1= 663, 664, 701, 666, 667,
 &end
#
#   43 HIS  HB-          46 ALA  HN          4.50    (#    376:15  Unique         2.38, 3.58 A)
 &rst
  ixpk= 376, nxpk= 15, iat=  -1, 687, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 646, 647,
 &end
#
#   45 THR  HB           46 ALA  HN          3.50    (#    377:15  Unique         2.75, 3.06 A)
 &rst
  ixpk= 377, nxpk= 15, iat= 677, 687, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   46 ALA  HA           46 ALA  HN          3.50    (#    378:15  Unique         2.78, 2.84 A)
 &rst
  ixpk= 378, nxpk= 15, iat= 689, 687, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   47 ILE  HA           47 ILE  HN          5.50    (#    379:15  Unique         2.80, 2.84 A)
 &rst
  ixpk= 379, nxpk= 15, iat= 699, 697, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   47 ILE  HB           47 ILE  HN          3.50    (#    380:15  Unique         2.40, 2.44 A)
 &rst
  ixpk= 380, nxpk= 15, iat= 701, 697, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   46 ALA  MB           47 ILE  HN          3.50    (#    381:15  Unique         2.39, 3.30 A)
 &rst
  ixpk= 381, nxpk= 15, iat=  -1, 697, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 691, 692, 693,
 &end
#
#    0 AMB  15-2:382     47 ILE  HN          5.50    (#    382:15  Single Ambig)
 &rst
  ixpk= 382, nxpk= 15, iat=  -1, 697, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 710, 711, 712, 632, 633, 634, 636, 637, 638,
 &end
#
#   47 ILE  HG1-         47 ILE  HN          5.50    (#    383:15  Unique         2.09, 2.91 A)
 &rst
  ixpk= 383, nxpk= 15, iat=  -1, 697, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 707, 708,
 &end
#
#   47 ILE  QG2          48 ALA  HN          3.50    (#    384:15  Unique         3.71, 4.47 A)
 &rst
  ixpk= 384, nxpk= 15, iat=  -1, 716, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 703, 704, 705,
 &end
#
#   46 ALA  MB           48 ALA  HN          5.50    (#    385:15  Unique         4.71, 5.17 A)
 &rst
  ixpk= 385, nxpk= 15, iat=  -1, 716, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 691, 692, 693,
 &end
#
#    0 AMB  15-2:386     48 ALA  HN          5.50    (#    386:15  Single Ambig)
 &rst
  ixpk= 386, nxpk= 15, iat=  -1, 716, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 730, 731, 764, 765, 767, 768,
 &end
#
#    0 AMB  15-2:387     48 ALA  HN          5.50    (#    387:15  Single Ambig)
 &rst
  ixpk= 387, nxpk= 15, iat=  -1, 716, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 733, 734, 666, 667,
 &end
#
#   47 ILE  HA           48 ALA  HN          5.50    (#    388:15  Unique         3.54, 3.56 A)
 &rst
  ixpk= 388, nxpk= 15, iat= 699, 716, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   45 THR  HA           48 ALA  HN          3.50    (#    389:15  Unique         2.88, 3.32 A)
 &rst
  ixpk= 389, nxpk= 15, iat= 675, 716, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   49 MET  HN           48 ALA  HN          3.50    (#    390:15  Unique         2.29, 2.43 A)
 &rst
  ixpk= 390, nxpk= 15, iat= 726, 716, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   50 MET  HN           49 MET  HN          3.50    (#    391:15  Unique         2.44, 2.54 A)
 &rst
  ixpk= 391, nxpk= 15, iat= 743, 726, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   48 ALA  HN           49 MET  HN          3.50    (#    392:15  Unique         2.29, 2.43 A)
 &rst
  ixpk= 392, nxpk= 15, iat= 716, 726, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   49 MET  HA           49 MET  HN          3.50    (#    393:15  Unique         2.89, 2.91 A)
 &rst
  ixpk= 393, nxpk= 15, iat= 728, 726, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   48 ALA  HA           49 MET  HN          4.50    (#    394:15  Unique         3.46, 3.53 A)
 &rst
  ixpk= 394, nxpk= 15, iat= 718, 726, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   46 ALA  HA           49 MET  HN          4.50    (#    395:15  Unique         2.95, 3.07 A)
 &rst
  ixpk= 395, nxpk= 15, iat= 689, 726, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:396     49 MET  HN          3.50    (#    396:15  Single Ambig)
 &rst
  ixpk= 396, nxpk= 15, iat=  -1, 726, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
 igr1= 737, 738, 739, 747, 748,
 &end
#
#   49 MET  HB-          49 MET  HN          3.50    (#    397:15  Unique         2.43, 3.06 A)
 &rst
  ixpk= 397, nxpk= 15, iat=  -1, 726, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 730, 731,
 &end
#
#   45 THR  MG2          49 MET  HN          5.50    (#    398:15  Unique         4.14, 5.29 A)
 &rst
  ixpk= 398, nxpk= 15, iat=  -1, 726, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 679, 680, 681,
 &end
#
#    0 AMB  15-2:399     50 MET  HN          5.50    (#    399:15  Single Ambig)
 &rst
  ixpk= 399, nxpk= 15, iat=  -1, 743, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1= 857, 858, 859, 707, 708,
 &end
#
#    0 AMB  15-2:400     50 MET  HN          5.50    (#    400:15  Single Ambig)
 &rst
  ixpk= 400, nxpk= 15, iat=  -1, 743, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 703, 704, 705, 289, 290, 291,
 &end
#
#    0 AMB  15-2:401     50 MET  HN          5.50    (#    401:15  Single Ambig)
 &rst
  ixpk= 401, nxpk= 15, iat=  -1, 743, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 854, 855, 796, 797, 798, 800, 801, 802,
 &end
#
#   50 MET  HB-          50 MET  HN          4.50    (#    403:15  Unique         2.34, 3.15 A)
 &rst
  ixpk= 403, nxpk= 15, iat=  -1, 743, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 747, 748,
 &end
#
#    0 AMB  15-2:404     67 ASN  HN          2.80    (#    404:15  Single Ambig)
 &rst
  ixpk= 404, nxpk= 15, iat=  -1, 983, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 972, 973, 942, 943,
 &end
#
#   50 MET  HG-          50 MET  HN          4.50    (#    405:15  Unique         2.92, 3.74 A)
 &rst
  ixpk= 405, nxpk= 15, iat=  -1, 743, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 750, 751,
 &end
#
#    0 AMB  15-2:406     90 TRP  HN          4.50    (#    406:15  Single Ambig)
 &rst
  ixpk= 406, nxpk= 15, iat=  -1,1306, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1293,1264,1265,
 &end
#
#   50 MET  HA           50 MET  HN          5.50    (#    407:15  Unique         2.96, 2.98 A)
 &rst
  ixpk= 407, nxpk= 15, iat= 745, 743, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   51 GLU  HN           50 MET  HN          3.50    (#    408:15  Unique         2.03, 2.11 A)
 &rst
  ixpk= 408, nxpk= 15, iat= 760, 743, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   49 MET  HN           50 MET  HN          3.50    (#    409:15  Unique         2.44, 2.54 A)
 &rst
  ixpk= 409, nxpk= 15, iat= 726, 743, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   48 ALA  HA           51 GLU  HN          3.50    (#    413:15  Unique         3.45, 3.52 A)
 &rst
  ixpk= 413, nxpk= 15, iat= 718, 760, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   51 GLU  HA           51 GLU  HN          2.80    (#    414:15  Unique         2.82, 2.84 A)
 &rst
  ixpk= 414, nxpk= 15, iat= 762, 760, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   50 MET  HG-          51 GLU  HN          5.50    (#    415:15  Unique         4.37, 5.03 A)
 &rst
  ixpk= 415, nxpk= 15, iat=  -1, 760, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 750, 751,
 &end
#
#   52 GLU  HG-          51 GLU  HN          4.50    (#    416:15  Unique         3.63, 4.31 A)
 &rst
  ixpk= 416, nxpk= 15, iat=  -1, 760, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 782, 783,
 &end
#
#   50 MET  HB-          51 GLU  HN          4.50    (#    417:15  Unique         2.79, 3.49 A)
 &rst
  ixpk= 417, nxpk= 15, iat=  -1, 760, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 747, 748,
 &end
#
#    0 AMB  15-2:418     51 GLU  HN          5.50    (#    418:15  Single Ambig)
 &rst
  ixpk= 418, nxpk= 15, iat=  -1, 760, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 796, 797, 798, 800, 801, 802, 854, 855,
 &end
#
#   47 ILE  QG2          51 GLU  HN          4.50    (#    419:15  Unique         4.09, 4.73 A)
 &rst
  ixpk= 419, nxpk= 15, iat=  -1, 760, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 703, 704, 705,
 &end
#
#    0 AMB  15-2:421     52 GLU  HN          5.50    (#    421:15  Single Ambig)
 &rst
  ixpk= 421, nxpk= 15, iat=  -1, 775, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 703, 704, 705, 289, 290, 291,
 &end
#
#   53 VAL  MGX          52 GLU  HN          5.50    (#    422:15  Unique         3.62, 5.75 A)
 &rst
  ixpk= 422, nxpk= 15, iat=  -1, 775, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 796, 797, 798, 800, 801, 802,
 &end
#
#    0 AMB  15-2:423     52 GLU  HN          5.50    (#    423:15  Single Ambig)
 &rst
  ixpk= 423, nxpk= 15, iat=  -1, 775, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1= 720, 721, 722, 823, 824,
 &end
#
#   51 GLU  HA           52 GLU  HN          3.50    (#    424:15  Unique         3.41, 3.47 A)
 &rst
  ixpk= 424, nxpk= 15, iat= 762, 775, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   53 VAL  HN           52 GLU  HN          2.80    (#    425:15  Unique         2.69, 2.78 A)
 &rst
  ixpk= 425, nxpk= 15, iat= 790, 775, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   54 GLY  HN           52 GLU  HN          4.50    (#    426:15  Unique         3.74, 3.99 A)
 &rst
  ixpk= 426, nxpk= 15, iat= 806, 775, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  116 ARG  HE           52 GLU  HN          5.50    (#    427:15  Unique         4.83, 5.20 A)
 &rst
  ixpk= 427, nxpk= 15, iat=1743, 775, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   52 GLU  HN           53 VAL  HN          3.50    (#    429:15  Unique         2.69, 2.78 A)
 &rst
  ixpk= 429, nxpk= 15, iat= 775, 790, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   50 MET  HA           53 VAL  HN          3.50    (#    430:15  Unique         3.20, 3.39 A)
 &rst
  ixpk= 430, nxpk= 15, iat= 745, 790, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   52 GLU  HA           53 VAL  HN          3.50    (#    432:15  Unique         3.45, 3.53 A)
 &rst
  ixpk= 432, nxpk= 15, iat= 777, 790, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   54 GLY  HA+          53 VAL  HN          5.50    (#    433:15  Unique         4.40, 4.87 A)
 &rst
  ixpk= 433, nxpk= 15, iat=  -1, 790, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 808, 809,
 &end
#
#   53 VAL  HB           53 VAL  HN          4.50    (#    434:15  Unique         2.39, 3.29 A)
 &rst
  ixpk= 434, nxpk= 15, iat= 794, 790, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   52 GLU  HB+          53 VAL  HN          3.50    (#    435:15  Unique         2.50, 3.62 A)
 &rst
  ixpk= 435, nxpk= 15, iat=  -1, 790, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 779, 780,
 &end
#
#   53 VAL  MGX          54 GLY  HN          3.50    (#    436:15  Unique         4.02, 4.97 A)
 &rst
  ixpk= 436, nxpk= 15, iat=  -1, 806, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 796, 797, 798, 800, 801, 802,
 &end
#
#    0 AMB  15-2:437     54 GLY  HN          5.50    (#    437:15  Single Ambig)
 &rst
  ixpk= 437, nxpk= 15, iat=  -1, 806, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 764, 765, 779, 780,
 &end
#
#   53 VAL  HB           54 GLY  HN          5.50    (#    438:15  Unique         3.10, 4.09 A)
 &rst
  ixpk= 438, nxpk= 15, iat= 794, 806, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   52 GLU  HN           54 GLY  HN          5.50    (#    440:15  Unique         3.74, 3.99 A)
 &rst
  ixpk= 440, nxpk= 15, iat= 775, 806, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   56 ASP  HN           55 ILE  HN          5.50    (#    441:15  Unique         4.39, 4.57 A)
 &rst
  ixpk= 441, nxpk= 15, iat= 832, 813, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   52 GLU  HN           55 ILE  HN          5.50    (#    442:15  Unique         4.60, 4.76 A)
 &rst
  ixpk= 442, nxpk= 15, iat= 775, 813, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   53 VAL  HN           55 ILE  HN          3.50    (#    443:15  Unique         3.17, 3.32 A)
 &rst
  ixpk= 443, nxpk= 15, iat= 790, 813, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:444     55 ILE  HN          4.50    (#    444:15  Single Ambig)
 &rst
  ixpk= 444, nxpk= 15, iat=  -1, 813, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 767, 768, 764, 765,
 &end
#
#   50 MET  HB+          55 ILE  HN          5.50    (#    445:15  Unique         3.94, 4.49 A)
 &rst
  ixpk= 445, nxpk= 15, iat=  -1, 813, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 747, 748,
 &end
#
#   50 MET  HB-          55 ILE  HN          5.50    (#    446:15  Unique         3.94, 4.49 A)
 &rst
  ixpk= 446, nxpk= 15, iat=  -1, 813, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 747, 748,
 &end
#
#   55 ILE  HG1+         55 ILE  HN          3.50    (#    447:15  Unique         2.30, 3.08 A)
 &rst
  ixpk= 447, nxpk= 15, iat=  -1, 813, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 823, 824,
 &end
#
#   55 ILE  HG1-         55 ILE  HN          3.50    (#    448:15  Unique         2.30, 3.08 A)
 &rst
  ixpk= 448, nxpk= 15, iat=  -1, 813, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 823, 824,
 &end
#
#   55 ILE  QD1          55 ILE  HN          4.50    (#    449:15  Unique         4.23, 4.80 A)
 &rst
  ixpk= 449, nxpk= 15, iat=  -1, 813, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 826, 827, 828,
 &end
#
#   55 ILE  QG2          55 ILE  HN          4.50    (#    450:15  Unique         4.01, 4.48 A)
 &rst
  ixpk= 450, nxpk= 15, iat=  -1, 813, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 819, 820, 821,
 &end
#
#   55 ILE  HG1-         56 ASP  HN          5.50    (#    451:15  Unique         3.33, 4.84 A)
 &rst
  ixpk= 451, nxpk= 15, iat=  -1, 832, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 823, 824,
 &end
#
#   55 ILE  HB           56 ASP  HN          5.50    (#    452:15  Unique         3.94, 4.19 A)
 &rst
  ixpk= 452, nxpk= 15, iat= 817, 832, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   55 ILE  HN           56 ASP  HN          5.50    (#    456:15  Unique         4.39, 4.57 A)
 &rst
  ixpk= 456, nxpk= 15, iat= 813, 832, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   58 SER  HN           57 ILE  HN          3.50    (#    457:15  Unique         1.74, 1.95 A)
 &rst
  ixpk= 457, nxpk= 15, iat= 863, 844, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   57 ILE  HA           57 ILE  HN          3.50    (#    458:15  Unique         2.94, 2.97 A)
 &rst
  ixpk= 458, nxpk= 15, iat= 846, 844, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:459     57 ILE  HN          5.50    (#    459:15  Single Ambig)
 &rst
  ixpk= 459, nxpk= 15, iat=  -1, 844, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 865, 322, 323,
 &end
#
#   47 ILE  HA           57 ILE  HN          5.50    (#    460:15  Unique         3.47, 4.45 A)
 &rst
  ixpk= 460, nxpk= 15, iat= 699, 844, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:461     57 ILE  HN          5.50    (#    461:15  Single Ambig)
 &rst
  ixpk= 461, nxpk= 15, iat=  -1, 844, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 836, 837, 750, 751,
 &end
#
#    0 AMB  15-2:462     57 ILE  HN          5.50    (#    462:15  Single Ambig)
 &rst
  ixpk= 462, nxpk= 15, iat=  -1, 844, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1= 848, 767, 768, 764, 765,
 &end
#
#   57 ILE  HG1-         57 ILE  HN          2.80    (#    463:15  Unique         2.30, 2.67 A)
 &rst
  ixpk= 463, nxpk= 15, iat=  -1, 844, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 854, 855,
 &end
#
#   57 ILE  QG2          57 ILE  HN          3.50    (#    464:15  Unique         3.19, 4.08 A)
 &rst
  ixpk= 464, nxpk= 15, iat=  -1, 844, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 850, 851, 852,
 &end
#
#   47 ILE  HG1-         57 ILE  HN          3.50    (#    465:15  Unique         2.87, 4.46 A)
 &rst
  ixpk= 465, nxpk= 15, iat=  -1, 844, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 707, 708,
 &end
#
#   57 ILE  QD1          58 SER  HN          5.50    (#    466:15  Unique         5.17, 5.88 A)
 &rst
  ixpk= 466, nxpk= 15, iat=  -1, 863, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 857, 858, 859,
 &end
#
#   57 ILE  HG1-         58 SER  HN          4.50    (#    468:15  Unique         2.93, 3.75 A)
 &rst
  ixpk= 468, nxpk= 15, iat=  -1, 863, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 854, 855,
 &end
#
#    0 AMB  15-2:470     58 SER  HN          5.50    (#    470:15  Single Ambig)
 &rst
  ixpk= 470, nxpk= 15, iat=  -1, 863, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1= 885, 886, 848, 767, 768,
 &end
#
#   58 SER  HA           58 SER  HN          3.50    (#    471:15  Unique         2.65, 2.80 A)
 &rst
  ixpk= 471, nxpk= 15, iat= 865, 863, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   57 ILE  HA           58 SER  HN          3.50    (#    473:15  Unique         3.07, 3.24 A)
 &rst
  ixpk= 473, nxpk= 15, iat= 846, 863, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   57 ILE  HN           58 SER  HN          3.50    (#    475:15  Unique         1.74, 1.95 A)
 &rst
  ixpk= 475, nxpk= 15, iat= 844, 863, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   60 GLN  HN           59 GLY  HN          3.50    (#    476:15  Unique         2.46, 2.76 A)
 &rst
  ixpk= 476, nxpk= 15, iat= 881, 874, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   59 GLY  HA+          59 GLY  HN          3.50    (#    478:15  Unique         2.27, 2.64 A)
 &rst
  ixpk= 478, nxpk= 15, iat=  -1, 874, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 876, 877,
 &end
#
#   58 SER  HA           59 GLY  HN          3.50    (#    479:15  Unique         2.18, 3.03 A)
 &rst
  ixpk= 479, nxpk= 15, iat= 865, 874, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   59 GLY  HA-          59 GLY  HN          3.50    (#    480:15  Unique         2.27, 2.64 A)
 &rst
  ixpk= 480, nxpk= 15, iat=  -1, 874, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 876, 877,
 &end
#
#   42 VAL  MGX          60 GLN  HN          3.50    (#    481:15  Unique         2.86, 4.93 A)
 &rst
  ixpk= 481, nxpk= 15, iat=  -1, 881, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 632, 633, 634, 636, 637, 638,
 &end
#
#   59 GLY  HA-          60 GLN  HN          3.50    (#    482:15  Unique         2.70, 3.33 A)
 &rst
  ixpk= 482, nxpk= 15, iat=  -1, 881, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 876, 877,
 &end
#
#   58 SER  HA           60 GLN  HN          4.50    (#    483:15  Unique         3.48, 3.99 A)
 &rst
  ixpk= 483, nxpk= 15, iat= 865, 881, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   61 THR  HN           60 GLN  HN          4.50    (#    486:15  Unique         2.81, 4.32 A)
 &rst
  ixpk= 486, nxpk= 15, iat= 898, 881, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   59 GLY  HN           60 GLN  HN          3.50    (#    487:15  Unique         2.46, 2.76 A)
 &rst
  ixpk= 487, nxpk= 15, iat= 874, 881, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   60 GLN  HN           61 THR  HN          5.50    (#    488:15  Unique         2.81, 4.32 A)
 &rst
  ixpk= 488, nxpk= 15, iat= 881, 898, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   61 THR  HA           61 THR  HN          3.50    (#    490:15  Unique         2.78, 2.89 A)
 &rst
  ixpk= 490, nxpk= 15, iat= 900, 898, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   60 GLN  HB+          61 THR  HN          3.50    (#    491:15  Unique         2.52, 3.86 A)
 &rst
  ixpk= 491, nxpk= 15, iat=  -1, 898, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 885, 886,
 &end
#
#   60 GLN  HB-          61 THR  HN          4.50    (#    492:15  Unique         2.52, 3.86 A)
 &rst
  ixpk= 492, nxpk= 15, iat=  -1, 898, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 885, 886,
 &end
#
#   61 THR  MG2          61 THR  HN          3.50    (#    493:15  Unique         2.12, 4.03 A)
 &rst
  ixpk= 493, nxpk= 15, iat=  -1, 898, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 904, 905, 906,
 &end
#
#  127 ILE  QD1         127 ILE  HN          3.50    (#    494:15  Unique         3.53, 4.21 A)
 &rst
  ixpk= 494, nxpk= 15, iat=  -1,1919, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1932,1933,1934,
 &end
#
#  127 ILE  HG1-        127 ILE  HN          2.80    (#    495:15  Unique         2.13, 2.87 A)
 &rst
  ixpk= 495, nxpk= 15, iat=  -1,1919, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1929,1930,
 &end
#
#    0 AMB  15-2:496    127 ILE  HN          4.50    (#    496:15  Single Ambig)
 &rst
  ixpk= 496, nxpk= 15, iat=  -1,1919, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1=1980,1981,1942,1943,1944,
 &end
#
#  126 LEU  HB-         127 ILE  HN          3.50    (#    497:15  Unique         2.21, 3.25 A)
 &rst
  ixpk= 497, nxpk= 15, iat=  -1,1919, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1904,1905,
 &end
#
#  126 LEU  HB+         127 ILE  HN          4.50    (#    498:15  Unique         2.21, 3.25 A)
 &rst
  ixpk= 498, nxpk= 15, iat=  -1,1919, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1904,1905,
 &end
#
#  127 ILE  HA          127 ILE  HN          3.50    (#    499:15  Unique         2.86, 2.88 A)
 &rst
  ixpk= 499, nxpk= 15, iat=1921,1919, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   62 SER  HB-          62 SER  HN          3.50    (#    500:15  Unique         2.34, 3.65 A)
 &rst
  ixpk= 500, nxpk= 15, iat=  -1, 912, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 916, 917,
 &end
#
#  128 ALA  HN          127 ILE  HN          3.50    (#    503:15  Unique         2.68, 2.72 A)
 &rst
  ixpk= 503, nxpk= 15, iat=1938,1919, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  126 LEU  HN          127 ILE  HN          3.50    (#    504:15  Unique         2.81, 2.85 A)
 &rst
  ixpk= 504, nxpk= 15, iat=1900,1919, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   65 ILE  HN           66 GLU  HN          4.50    (#    506:15  Unique         2.73, 2.84 A)
 &rst
  ixpk= 506, nxpk= 15, iat= 949, 968, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   66 GLU  HA           66 GLU  HN          3.50    (#    507:15  Unique         2.76, 2.82 A)
 &rst
  ixpk= 507, nxpk= 15, iat= 970, 968, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   65 ILE  HA           66 GLU  HN          3.50    (#    508:15  Unique         3.40, 3.44 A)
 &rst
  ixpk= 508, nxpk= 15, iat= 951, 968, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  115 VAL  HA          119 VAL  HN          5.50    (#    509:15  Unique         3.18, 3.41 A)
 &rst
  ixpk= 509, nxpk= 15, iat=1716,1778, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  119 VAL  HA          119 VAL  HN          3.50    (#    510:15  Unique         2.79, 2.83 A)
 &rst
  ixpk= 510, nxpk= 15, iat=1780,1778, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  118 GLN  HB-         119 VAL  HN          3.50    (#    511:15  Unique         2.12, 2.79 A)
 &rst
  ixpk= 511, nxpk= 15, iat=  -1,1778, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1765,1766,
 &end
#
#  118 GLN  HB+         119 VAL  HN          2.80    (#    512:15  Unique         2.12, 2.79 A)
 &rst
  ixpk= 512, nxpk= 15, iat=  -1,1778, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1765,1766,
 &end
#
#    0 AMB  15-2:513      0 AMB  15-1:513    4.50    (#    513:15  Double Ambig)
 &rst
  ixpk= 513, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 953,1503,1504,
 igr2= 968,1778,
 &end
#
#    0 AMB  15-2:514      0 AMB  15-1:514    4.50    (#    514:15  Double Ambig)
 &rst
  ixpk= 514, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1=1508,1509,1510,1512,1513,1514, 555, 556, 557, 559,
       560, 561,1720,1721,1722,1724,1725,1726,
 igr2=1778, 968,
 &end
#
#   68 PHE  HE           67 ASN  HN          5.50    (#    515:15  Unique         4.06, 6.50 A)
 &rst
  ixpk= 515, nxpk= 15, iat=  -1, 983, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1007,1011,
 &end
#
#   68 PHE  HN           67 ASN  HN          2.80    (#    516:15  Unique         2.57, 2.68 A)
 &rst
  ixpk= 516, nxpk= 15, iat= 997, 983, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   66 GLU  HN           67 ASN  HN          3.50    (#    517:15  Unique         2.39, 2.47 A)
 &rst
  ixpk= 517, nxpk= 15, iat= 968, 983, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   69 ASN  HN           68 PHE  HN          5.50    (#    518:15  Unique         4.39, 4.47 A)
 &rst
  ixpk= 518, nxpk= 15, iat=1017, 997, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   67 ASN  HN           68 PHE  HN          2.80    (#    519:15  Unique         2.57, 2.68 A)
 &rst
  ixpk= 519, nxpk= 15, iat= 983, 997, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:520     68 PHE  HN          2.80    (#    520:15  Single Ambig)
 &rst
  ixpk= 520, nxpk= 15, iat=  -1, 997, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1005,1013,1319,
 &end
#
#   68 PHE  HA           68 PHE  HN          3.50    (#    521:15  Unique         2.91, 2.97 A)
 &rst
  ixpk= 521, nxpk= 15, iat= 999, 997, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:522     68 PHE  HN          3.50    (#    522:15  Single Ambig)
 &rst
  ixpk= 522, nxpk= 15, iat=  -1, 997, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 985, 970,
 &end
#
#   65 ILE  HA           68 PHE  HN          4.50    (#    523:15  Unique         3.41, 3.67 A)
 &rst
  ixpk= 523, nxpk= 15, iat= 951, 997, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   68 PHE  HB+          68 PHE  HN          3.50    (#    524:15  Unique         2.32, 3.11 A)
 &rst
  ixpk= 524, nxpk= 15, iat=  -1, 997, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1001,1002,
 &end
#
#   68 PHE  HB-          68 PHE  HN          3.50    (#    525:15  Unique         2.32, 3.11 A)
 &rst
  ixpk= 525, nxpk= 15, iat=  -1, 997, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1001,1002,
 &end
#
#   67 ASN  HB+          68 PHE  HN          3.50    (#    526:15  Unique         3.02, 3.91 A)
 &rst
  ixpk= 526, nxpk= 15, iat=  -1, 997, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 987, 988,
 &end
#
#    0 AMB  15-2:527     68 PHE  HN          5.50    (#    527:15  Single Ambig)
 &rst
  ixpk= 527, nxpk= 15, iat=  -1, 997, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1= 959, 960,  92,  93,  94,
 &end
#
#   68 PHE  HB+          69 ASN  HN          4.50    (#    528:15  Unique         2.13, 2.90 A)
 &rst
  ixpk= 528, nxpk= 15, iat=  -1,1017, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1001,1002,
 &end
#
#   73 TYR  HE           69 ASN  HN          4.50    (#    529:15  Unique         3.57, 6.01 A)
 &rst
  ixpk= 529, nxpk= 15, iat=  -1,1017, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1075,1080,
 &end
#
#    0 AMB  15-2:530     69 ASN  HN          4.50    (#    530:15  Single Ambig)
 &rst
  ixpk= 530, nxpk= 15, iat=  -1,1017, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1005,1013,1319,
 &end
#
#   69 ASN  HD2-         69 ASN  HN          5.50    (#    531:15  Unique         4.04, 5.34 A)
 &rst
  ixpk= 531, nxpk= 15, iat=  -1,1017, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1026,1027,
 &end
#
#   71 ASP  HN           70 ALA  HN          2.80    (#    532:15  Unique         2.16, 2.28 A)
 &rst
  ixpk= 532, nxpk= 15, iat=1041,1031, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:533     70 ALA  HN          4.50    (#    533:15  Single Ambig)
 &rst
  ixpk= 533, nxpk= 15, iat=  -1,1031, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1372,1373,1005,1013,
 &end
#
#   69 ASN  HB+          70 ALA  HN          4.50    (#    534:15  Unique         2.31, 3.80 A)
 &rst
  ixpk= 534, nxpk= 15, iat=  -1,1031, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1021,1022,
 &end
#
#   69 ASN  HB-          70 ALA  HN          4.50    (#    535:15  Unique         2.31, 3.80 A)
 &rst
  ixpk= 535, nxpk= 15, iat=  -1,1031, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1021,1022,
 &end
#
#   70 ALA  HA           70 ALA  HN          2.80    (#    536:15  Unique         2.93, 2.94 A)
 &rst
  ixpk= 536, nxpk= 15, iat=1033,1031, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   70 ALA  MB           71 ASP  HN          3.50    (#    537:15  Unique         3.08, 3.91 A)
 &rst
  ixpk= 537, nxpk= 15, iat=  -1,1041, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1035,1036,1037,
 &end
#
#   69 ASN  HB+          71 ASP  HN          5.50    (#    538:15  Unique         2.52, 3.84 A)
 &rst
  ixpk= 538, nxpk= 15, iat=  -1,1041, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1021,1022,
 &end
#
#   71 ASP  HA           71 ASP  HN          2.80    (#    539:15  Unique         2.74, 2.77 A)
 &rst
  ixpk= 539, nxpk= 15, iat=1043,1041, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   69 ASN  HA           71 ASP  HN          4.50    (#    540:15  Unique         3.70, 3.90 A)
 &rst
  ixpk= 540, nxpk= 15, iat=1019,1041, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   70 ALA  HN           71 ASP  HN          2.80    (#    541:15  Unique         2.16, 2.28 A)
 &rst
  ixpk= 541, nxpk= 15, iat=1031,1041, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   73 TYR  HD           73 TYR  HN          2.80    (#    542:15  Unique         2.77, 4.11 A)
 &rst
  ixpk= 542, nxpk= 15, iat=  -1,1065, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1073,1082,
 &end
#
#   73 TYR  HA           73 TYR  HN          2.80    (#    543:15  Unique         2.97, 2.98 A)
 &rst
  ixpk= 543, nxpk= 15, iat=1067,1065, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   73 TYR  HB+          73 TYR  HN          2.80    (#    544:15  Unique         2.47, 3.16 A)
 &rst
  ixpk= 544, nxpk= 15, iat=  -1,1065, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1069,1070,
 &end
#
#   72 ASP  HB-          72 ASP  HN          3.50    (#    545:15  Unique         2.48, 2.57 A)
 &rst
  ixpk= 545, nxpk= 15, iat=  -1,1053, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1057,1058,
 &end
#
#    3 LYS  HN           74 ASP  HN          5.50    (#    546:15  Unique         2.53, 2.79 A)
 &rst
  ixpk= 546, nxpk= 15, iat=  43,1086, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   74 ASP  HA           74 ASP  HN          3.50    (#    547:15  Unique         2.82, 2.95 A)
 &rst
  ixpk= 547, nxpk= 15, iat=1088,1086, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   74 ASP  HB-          74 ASP  HN          3.50    (#    548:15  Unique         2.37, 2.71 A)
 &rst
  ixpk= 548, nxpk= 15, iat=  -1,1086, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1090,1091,
 &end
#
#   73 TYR  HB+          74 ASP  HN          3.50    (#    549:15  Unique         2.23, 3.43 A)
 &rst
  ixpk= 549, nxpk= 15, iat=  -1,1086, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1069,1070,
 &end
#
#   74 ASP  HB+          74 ASP  HN          3.50    (#    550:15  Unique         2.37, 2.71 A)
 &rst
  ixpk= 550, nxpk= 15, iat=  -1,1086, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1090,1091,
 &end
#
#    3 LYS  HB+          74 ASP  HN          4.50    (#    551:15  Unique         2.63, 3.85 A)
 &rst
  ixpk= 551, nxpk= 15, iat=  -1,1086, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=  47,  48,
 &end
#
#    0 AMB  15-2:552     74 ASP  HN          4.50    (#    552:15  Single Ambig)
 &rst
  ixpk= 552, nxpk= 15, iat=  -1,1086, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=  50,  51,  53,  54,
 &end
#
#    4 VAL  MGX          75 VAL  HN          5.50    (#    553:15  Unique         3.84, 5.48 A)
 &rst
  ixpk= 553, nxpk= 15, iat=  -1,1098, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=  71,  72,  73,  75,  76,  77,
 &end
#
#    0 AMB  15-2:554     75 VAL  HN          4.50    (#    554:15  Single Ambig)
 &rst
  ixpk= 554, nxpk= 15, iat=  -1,1098, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1=  71,  72,  73,  75,  76,  77,1983,1984,1985,
 &end
#
#   75 VAL  MGX          75 VAL  HN          3.50    (#    555:15  Unique         2.22, 3.85 A)
 &rst
  ixpk= 555, nxpk= 15, iat=  -1,1098, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1104,1105,1106,1108,1109,1110,
 &end
#
#    0 AMB  15-2:556     75 VAL  HN          5.50    (#    556:15  Single Ambig)
 &rst
  ixpk= 556, nxpk= 15, iat=  -1,1098, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=  31,  32,  28,  29,
 &end
#
#    0 AMB  15-2:557     75 VAL  HN          5.50    (#    557:15  Single Ambig)
 &rst
  ixpk= 557, nxpk= 15, iat=  -1,1098, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  69, 462,
 &end
#
#   75 VAL  HB           75 VAL  HN          3.50    (#    558:15  Unique         2.54, 3.09 A)
 &rst
  ixpk= 558, nxpk= 15, iat=1102,1098, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   74 ASP  HB-          75 VAL  HN          3.50    (#    559:15  Unique         2.59, 3.38 A)
 &rst
  ixpk= 559, nxpk= 15, iat=  -1,1098, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1090,1091,
 &end
#
#   73 TYR  HB+          75 VAL  HN          4.50    (#    560:15  Unique         2.90, 3.85 A)
 &rst
  ixpk= 560, nxpk= 15, iat=  -1,1098, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1069,1070,
 &end
#
#   73 TYR  HA           75 VAL  HN          5.50    (#    561:15  Unique         3.58, 4.00 A)
 &rst
  ixpk= 561, nxpk= 15, iat=1067,1098, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   75 VAL  HA           75 VAL  HN          3.50    (#    562:15  Unique         2.95, 2.96 A)
 &rst
  ixpk= 562, nxpk= 15, iat=1100,1098, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    4 VAL  HA           75 VAL  HN          3.50    (#    563:15  Unique         3.03, 3.21 A)
 &rst
  ixpk= 563, nxpk= 15, iat=  67,1098, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:564     75 VAL  HN          5.50    (#    564:15  Single Ambig)
 &rst
  ixpk= 564, nxpk= 15, iat=  -1,1098, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  81,1130,
 &end
#
#    3 LYS  HN           75 VAL  HN          5.50    (#    565:15  Unique         3.73, 4.05 A)
 &rst
  ixpk= 565, nxpk= 15, iat=  43,1098, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   76 VAL  HB           76 VAL  HN          3.50    (#    567:15  Unique         2.67, 2.74 A)
 &rst
  ixpk= 567, nxpk= 15, iat=1118,1114, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   93 GLN  HB-          76 VAL  HN          3.50    (#    568:15  Unique         2.87, 3.54 A)
 &rst
  ixpk= 568, nxpk= 15, iat=  -1,1114, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1364,1365,
 &end
#
#   75 VAL  HB           76 VAL  HN          5.50    (#    569:15  Unique         3.78, 3.91 A)
 &rst
  ixpk= 569, nxpk= 15, iat=1102,1114, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:570     76 VAL  HN          3.50    (#    570:15  Single Ambig)
 &rst
  ixpk= 570, nxpk= 15, iat=  -1,1114, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1120,1121,1122,1124,1125,1126,1402,1403,
 &end
#
#   76 VAL  MGX          76 VAL  HN          4.50    (#    571:15  Unique         3.23, 4.41 A)
 &rst
  ixpk= 571, nxpk= 15, iat=  -1,1114, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1120,1121,1122,1124,1125,1126,
 &end
#
#   75 VAL  MGY          76 VAL  HN          2.80    (#    572:15  Unique         2.52, 4.31 A)
 &rst
  ixpk= 572, nxpk= 15, iat=  -1,1114, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1104,1105,1106,1108,1109,1110,
 &end
#
#   77 ILE  QG2          79 LEU  HN          5.50    (#    573:15  Unique         2.18, 4.89 A)
 &rst
  ixpk= 573, nxpk= 15, iat=  -1,1160, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1136,1137,1138,
 &end
#
#   77 ILE  QD1          77 ILE  HN          5.50    (#    574:15  Unique         3.65, 4.70 A)
 &rst
  ixpk= 574, nxpk= 15, iat=  -1,1130, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1143,1144,1145,
 &end
#
#   77 ILE  HG1+         77 ILE  HN          4.50    (#    575:15  Unique         2.46, 3.42 A)
 &rst
  ixpk= 575, nxpk= 15, iat=  -1,1130, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1140,1141,
 &end
#
#   76 VAL  MGX          77 ILE  HN          3.50    (#    577:15  Unique         2.59, 4.13 A)
 &rst
  ixpk= 577, nxpk= 15, iat=  -1,1130, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1120,1121,1122,1124,1125,1126,
 &end
#
#   76 VAL  MGY          77 ILE  HN          4.50    (#    578:15  Unique         2.59, 4.13 A)
 &rst
  ixpk= 578, nxpk= 15, iat=  -1,1130, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1120,1121,1122,1124,1125,1126,
 &end
#
#   77 ILE  HB           77 ILE  HN          2.80    (#    579:15  Unique         2.46, 2.53 A)
 &rst
  ixpk= 579, nxpk= 15, iat=1134,1130, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:580      0 AMB  15-1:580    3.50    (#    580:15  Double Ambig)
 &rst
  ixpk= 580, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 927, 928, 138, 139,  85,  86,
 igr2= 923,1160,1130,
 &end
#
#   77 ILE  HA            0 AMB  15-1:581    4.50    (#    581:15  Single Ambig)
 &rst
  ixpk= 581, nxpk= 15, iat=1132,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1130,1160,
 &end
#
#   36 GLY  HA-          37 LEU  HN          3.50    (#    585:15  Unique         2.30, 2.59 A)
 &rst
  ixpk= 585, nxpk= 15, iat=  -1, 546, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 541, 542,
 &end
#
#  117 GLY  HA-         120 LYS  HN          5.50    (#    586:15  Unique         3.53, 4.38 A)
 &rst
  ixpk= 586, nxpk= 15, iat=  -1,1794, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1756,1757,
 &end
#
#   86 LEU  HB-          86 LEU  HN          5.50    (#    589:15  Unique         2.40, 3.06 A)
 &rst
  ixpk= 589, nxpk= 15, iat=  -1,1244, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1248,1249,
 &end
#
#   86 LEU  HB+          86 LEU  HN          3.50    (#    590:15  Unique         2.40, 3.06 A)
 &rst
  ixpk= 590, nxpk= 15, iat=  -1,1244, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1248,1249,
 &end
#
#   86 LEU  HA           86 LEU  HN          5.50    (#    591:15  Unique         2.73, 2.92 A)
 &rst
  ixpk= 591, nxpk= 15, iat=1246,1244, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   89 GLU  HB+          89 GLU  HN          3.50    (#    593:15  Unique         2.39, 3.06 A)
 &rst
  ixpk= 593, nxpk= 15, iat=  -1,1291, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1295,1296,
 &end
#
#   89 GLU  HB-          89 GLU  HN          3.50    (#    594:15  Unique         2.39, 3.06 A)
 &rst
  ixpk= 594, nxpk= 15, iat=  -1,1291, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1295,1296,
 &end
#
#   89 GLU  HG+          89 GLU  HN          3.50    (#    595:15  Unique         1.80, 2.97 A)
 &rst
  ixpk= 595, nxpk= 15, iat=  -1,1291, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1298,1299,
 &end
#
#   87 PRO  HG+          89 GLU  HN          5.50    (#    596:15  Unique         4.10, 5.81 A)
 &rst
  ixpk= 596, nxpk= 15, iat=  -1,1291, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1267,1268,
 &end
#
#   89 GLU  HA           89 GLU  HN          3.50    (#    597:15  Unique         2.73, 2.81 A)
 &rst
  ixpk= 597, nxpk= 15, iat=1293,1291, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   88 PRO  HA           89 GLU  HN          5.50    (#    598:15  Unique         3.45, 3.57 A)
 &rst
  ixpk= 598, nxpk= 15, iat=1287,1291, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   90 TRP  HN           89 GLU  HN          3.50    (#    599:15  Unique         2.75, 2.83 A)
 &rst
  ixpk= 599, nxpk= 15, iat=1306,1291, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   89 GLU  HN           90 TRP  HN          3.50    (#    600:15  Unique         2.75, 2.83 A)
 &rst
  ixpk= 600, nxpk= 15, iat=1291,1306, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   90 TRP  HA           90 TRP  HN          3.50    (#    601:15  Unique         2.90, 2.92 A)
 &rst
  ixpk= 601, nxpk= 15, iat=1308,1306, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   90 TRP  HB+          90 TRP  HN          3.50    (#    602:15  Unique         2.29, 2.96 A)
 &rst
  ixpk= 602, nxpk= 15, iat=  -1,1306, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1310,1311,
 &end
#
#   89 GLU  HG+          90 TRP  HN          3.50    (#    603:15  Unique         2.74, 3.31 A)
 &rst
  ixpk= 603, nxpk= 15, iat=  -1,1306, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1298,1299,
 &end
#
#   89 GLU  HB+          90 TRP  HN          4.50    (#    604:15  Unique         2.30, 4.20 A)
 &rst
  ixpk= 604, nxpk= 15, iat=  -1,1306, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1295,1296,
 &end
#
#   91 VAL  MGY          90 TRP  HN          4.50    (#    605:15  Unique         3.57, 5.10 A)
 &rst
  ixpk= 605, nxpk= 15, iat=  -1,1306, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1336,1337,1338,1340,1341,1342,
 &end
#
#   70 ALA  MB           90 TRP  HN          5.50    (#    606:15  Unique         3.70, 4.46 A)
 &rst
  ixpk= 606, nxpk= 15, iat=  -1,1306, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1035,1036,1037,
 &end
#
#   70 ALA  MB           90 TRP  HE1         5.50    (#    607:15  Unique         3.67, 5.08 A)
 &rst
  ixpk= 607, nxpk= 15, iat=  -1,1316, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1035,1036,1037,
 &end
#
#   65 ILE  HG1+         90 TRP  HE1         3.50    (#    608:15  Unique         2.77, 4.08 A)
 &rst
  ixpk= 608, nxpk= 15, iat=  -1,1316, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 959, 960,
 &end
#
#   65 ILE  HG1-         90 TRP  HE1         5.50    (#    609:15  Unique         2.77, 4.08 A)
 &rst
  ixpk= 609, nxpk= 15, iat=  -1,1316, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 959, 960,
 &end
#
#   89 GLU  HG+          90 TRP  HE1         5.50    (#    610:15  Unique         3.44, 4.06 A)
 &rst
  ixpk= 610, nxpk= 15, iat=  -1,1316, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1298,1299,
 &end
#
#   87 PRO  HG+          90 TRP  HE1         5.50    (#    611:15  Unique         2.80, 3.93 A)
 &rst
  ixpk= 611, nxpk= 15, iat=  -1,1316, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1267,1268,
 &end
#
#   90 TRP  HB+          90 TRP  HE1         5.50    (#    612:15  Unique         4.78, 5.04 A)
 &rst
  ixpk= 612, nxpk= 15, iat=  -1,1316, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1310,1311,
 &end
#
#   90 TRP  HB-          90 TRP  HE1         5.50    (#    613:15  Unique         4.78, 5.04 A)
 &rst
  ixpk= 613, nxpk= 15, iat=  -1,1316, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1310,1311,
 &end
#
#   90 TRP  HD1          90 TRP  HE1         3.50    (#    614:15  Unique         2.56, 2.57 A)
 &rst
  ixpk= 614, nxpk= 15, iat=1314,1316, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   90 TRP  HZ2          90 TRP  HE1         3.50    (#    615:15  Unique         2.88, 2.90 A)
 &rst
  ixpk= 615, nxpk= 15, iat=1319,1316, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   90 TRP  HN           91 VAL  HN          3.50    (#    616:15  Unique         2.29, 2.47 A)
 &rst
  ixpk= 616, nxpk= 15, iat=1306,1330, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   90 TRP  HB-          91 VAL  HN          4.50    (#    618:15  Unique         2.41, 3.15 A)
 &rst
  ixpk= 618, nxpk= 15, iat=  -1,1330, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1310,1311,
 &end
#
#   91 VAL  HB           91 VAL  HN          4.50    (#    619:15  Unique         3.60, 3.63 A)
 &rst
  ixpk= 619, nxpk= 15, iat=1334,1330, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   91 VAL  MGY          91 VAL  HN          2.80    (#    620:15  Unique         2.01, 3.13 A)
 &rst
  ixpk= 620, nxpk= 15, iat=  -1,1330, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1336,1337,1338,1340,1341,1342,
 &end
#
#   92 THR  MG2          91 VAL  HN          5.50    (#    621:15  Unique         3.65, 5.03 A)
 &rst
  ixpk= 621, nxpk= 15, iat=  -1,1330, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1352,1353,1354,
 &end
#
#   91 VAL  MGX          91 VAL  HN          3.50    (#    622:15  Unique         2.01, 3.13 A)
 &rst
  ixpk= 622, nxpk= 15, iat=  -1,1330, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1336,1337,1338,1340,1341,1342,
 &end
#
#   91 VAL  MGY          92 THR  HN          4.50    (#    623:15  Unique         3.32, 4.68 A)
 &rst
  ixpk= 623, nxpk= 15, iat=  -1,1346, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1336,1337,1338,1340,1341,1342,
 &end
#
#   92 THR  MG2          92 THR  HN          3.50    (#    624:15  Unique         2.29, 3.36 A)
 &rst
  ixpk= 624, nxpk= 15, iat=  -1,1346, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1352,1353,1354,
 &end
#
#   93 GLN  HN           92 THR  HN          4.50    (#    627:15  Unique         2.64, 2.99 A)
 &rst
  ixpk= 627, nxpk= 15, iat=1360,1346, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  120 LYS  HG-         120 LYS  HN          5.50    (#    628:15  Unique         4.30, 4.46 A)
 &rst
  ixpk= 628, nxpk= 15, iat=  -1,1794, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1801,1802,
 &end
#
#  120 LYS  HB+         120 LYS  HN          2.80    (#    629:15  Unique         2.33, 2.52 A)
 &rst
  ixpk= 629, nxpk= 15, iat=  -1,1794, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1798,1799,
 &end
#
#  119 VAL  MGX         120 LYS  HN          3.50    (#    631:15  Unique         3.24, 4.58 A)
 &rst
  ixpk= 631, nxpk= 15, iat=  -1,1794, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1784,1785,1786,1788,1789,1790,
 &end
#
#   93 GLN  HG-          93 GLN  HN          4.50    (#    633:15  Unique         2.51, 3.48 A)
 &rst
  ixpk= 633, nxpk= 15, iat=  -1,1360, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1367,1368,
 &end
#
#   92 THR  HN           93 GLN  HN          3.50    (#    634:15  Unique         2.64, 2.99 A)
 &rst
  ixpk= 634, nxpk= 15, iat=1346,1360, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:635    120 LYS  HN          3.50    (#    635:15  Single Ambig)
 &rst
  ixpk= 635, nxpk= 15, iat=  -1,1794, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1816, 337, 341,
 &end
#
#  119 VAL  HN          120 LYS  HN          3.50    (#    636:15  Unique         2.62, 2.92 A)
 &rst
  ixpk= 636, nxpk= 15, iat=1778,1794, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   93 GLN  HN           93 GLN  HE2+        5.50    (#    637:15  Unique         2.47, 4.53 A)
 &rst
  ixpk= 637, nxpk= 15, iat=1360,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1372,1373,
 &end
#
#    0 AMB  15-2:638     93 GLN  HE2-        3.50    (#    638:15  Single Ambig)
 &rst
  ixpk= 638, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1043,1308,
 igr2=1372,1373,
 &end
#
#    0 AMB  15-2:639      0 AMB  15-1:639    3.50    (#    639:15  Double Ambig)
 &rst
  ixpk= 639, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1043,1308,
 igr2=1372,1373,1372,1373,
 &end
#
#   89 GLU  HA           93 GLN  HE2+        5.50    (#    640:15  Unique         3.38, 4.24 A)
 &rst
  ixpk= 640, nxpk= 15, iat=1293,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1372,1373,
 &end
#
#   93 GLN  HG+          93 GLN  HE2+        3.50    (#    641:15  Unique         2.20, 3.27 A)
 &rst
  ixpk= 641, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1367,1368,
 igr2=1372,1373,
 &end
#
#   93 GLN  HG+          93 GLN  HE2-        3.50    (#    642:15  Unique         2.20, 3.27 A)
 &rst
  ixpk= 642, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1367,1368,
 igr2=1372,1373,
 &end
#
#   93 GLN  HG-          93 GLN  HE2-        4.50    (#    643:15  Unique         2.20, 3.27 A)
 &rst
  ixpk= 643, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1367,1368,
 igr2=1372,1373,
 &end
#
#   89 GLU  HB-          93 GLN  HE2+        4.50    (#    644:15  Unique         2.74, 4.31 A)
 &rst
  ixpk= 644, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1295,1296,
 igr2=1372,1373,
 &end
#
#   89 GLU  HB-          93 GLN  HE2-        5.50    (#    645:15  Unique         2.74, 4.31 A)
 &rst
  ixpk= 645, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1295,1296,
 igr2=1372,1373,
 &end
#
#   89 GLU  HB+          93 GLN  HE2+        5.50    (#    646:15  Unique         2.74, 4.31 A)
 &rst
  ixpk= 646, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1295,1296,
 igr2=1372,1373,
 &end
#
#   89 GLU  HB+          93 GLN  HE2-        5.50    (#    647:15  Unique         2.74, 4.31 A)
 &rst
  ixpk= 647, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1295,1296,
 igr2=1372,1373,
 &end
#
#   70 ALA  MB           93 GLN  HE2+        3.50    (#    648:15  Unique         2.29, 3.33 A)
 &rst
  ixpk= 648, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1035,1036,1037,
 igr2=1372,1373,
 &end
#
#   70 ALA  MB           93 GLN  HE2-        3.50    (#    649:15  Unique         2.29, 3.33 A)
 &rst
  ixpk= 649, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1035,1036,1037,
 igr2=1372,1373,
 &end
#
#   74 ASP  HA           94 GLU  HN          5.50    (#    651:15  Unique         3.27, 3.73 A)
 &rst
  ixpk= 651, nxpk= 15, iat=1088,1377, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   95 ILE  HN           94 GLU  HN          3.50    (#    652:15  Unique         2.31, 2.70 A)
 &rst
  ixpk= 652, nxpk= 15, iat=1392,1377, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   94 GLU  HN           95 ILE  HN          4.50    (#    653:15  Unique         2.31, 2.70 A)
 &rst
  ixpk= 653, nxpk= 15, iat=1377,1392, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   95 ILE  HA           95 ILE  HN          4.50    (#    654:15  Unique         2.88, 2.91 A)
 &rst
  ixpk= 654, nxpk= 15, iat=1394,1392, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   75 VAL  HA           95 ILE  HN          5.50    (#    655:15  Unique         3.01, 3.21 A)
 &rst
  ixpk= 655, nxpk= 15, iat=1100,1392, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   94 GLU  HA           95 ILE  HN          5.50    (#    656:15  Unique         3.30, 3.45 A)
 &rst
  ixpk= 656, nxpk= 15, iat=1379,1392, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   94 GLU  HG+          95 ILE  HN          4.50    (#    657:15  Unique         3.43, 4.88 A)
 &rst
  ixpk= 657, nxpk= 15, iat=  -1,1392, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1384,1385,
 &end
#
#   94 GLU  HB-          95 ILE  HN          5.50    (#    658:15  Unique         3.01, 3.59 A)
 &rst
  ixpk= 658, nxpk= 15, iat=  -1,1392, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1381,1382,
 &end
#
#    0 AMB  15-2:659     95 ILE  HN          3.50    (#    659:15  Single Ambig)
 &rst
  ixpk= 659, nxpk= 15, iat=  -1,1392, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1364,1365,1396,
 &end
#
#   95 ILE  QG2          95 ILE  HN          4.50    (#    660:15  Unique         2.52, 3.17 A)
 &rst
  ixpk= 660, nxpk= 15, iat=  -1,1392, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1398,1399,1400,
 &end
#
#    0 AMB  15-2:661     96 PHE  HN          4.50    (#    661:15  Single Ambig)
 &rst
  ixpk= 661, nxpk= 15, iat=  -1,1411, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1398,1399,1400,1405,1406,1407,1104,1105,1106,1108,
      1109,1110,
 &end
#
#   95 ILE  HG1-         96 PHE  HN          5.50    (#    662:15  Unique         2.26, 2.81 A)
 &rst
  ixpk= 662, nxpk= 15, iat=  -1,1411, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1402,1403,
 &end
#
#   96 PHE  HB-          96 PHE  HN          4.50    (#    663:15  Unique         2.40, 3.14 A)
 &rst
  ixpk= 663, nxpk= 15, iat=  -1,1411, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1415,1416,
 &end
#
#   96 PHE  HB+          96 PHE  HN          4.50    (#    664:15  Unique         2.40, 3.14 A)
 &rst
  ixpk= 664, nxpk= 15, iat=  -1,1411, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1415,1416,
 &end
#
#   99 TRP  HZ3          98 ASP  HN          5.50    (#    665:15  Unique         3.60, 5.07 A)
 &rst
  ixpk= 665, nxpk= 15, iat=1475,1446, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   98 ASP  HA           98 ASP  HN          3.50    (#    667:15  Unique         2.69, 2.80 A)
 &rst
  ixpk= 667, nxpk= 15, iat=1448,1446, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   98 ASP  HB-          98 ASP  HN          3.50    (#    668:15  Unique         2.78, 3.40 A)
 &rst
  ixpk= 668, nxpk= 15, iat=  -1,1446, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1450,1451,
 &end
#
#   98 ASP  HB+          98 ASP  HN          3.50    (#    669:15  Unique         2.78, 3.40 A)
 &rst
  ixpk= 669, nxpk= 15, iat=  -1,1446, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1450,1451,
 &end
#
#   97 GLU  HG+          98 ASP  HN          4.50    (#    670:15  Unique         3.93, 4.72 A)
 &rst
  ixpk= 670, nxpk= 15, iat=  -1,1446, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1438,1439,
 &end
#
#    0 AMB  15-2:671     99 TRP  HN          5.50    (#    671:15  Single Ambig)
 &rst
  ixpk= 671, nxpk= 15, iat=  -1,1458, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1435,1436,1486,1487,
 &end
#
#   99 TRP  HB-          99 TRP  HN          4.50    (#    672:15  Unique         2.41, 3.29 A)
 &rst
  ixpk= 672, nxpk= 15, iat=  -1,1458, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1462,1463,
 &end
#
#   99 TRP  HB+          99 TRP  HN          3.50    (#    673:15  Unique         2.41, 3.29 A)
 &rst
  ixpk= 673, nxpk= 15, iat=  -1,1458, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1462,1463,
 &end
#
#   78 SER  HB+          99 TRP  HN          5.50    (#    674:15  Unique         4.44, 5.67 A)
 &rst
  ixpk= 674, nxpk= 15, iat=  -1,1458, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1153,1154,
 &end
#
#    0 AMB  15-2:675     99 TRP  HN          3.50    (#    675:15  Single Ambig)
 &rst
  ixpk= 675, nxpk= 15, iat=  -1,1458, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1162,1460,
 &end
#
#   99 TRP  HD1          99 TRP  HN          5.50    (#    676:15  Unique         3.91, 4.69 A)
 &rst
  ixpk= 676, nxpk= 15, iat=1466,1458, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   78 SER  HN           99 TRP  HN          5.50    (#    677:15  Unique         4.09, 5.16 A)
 &rst
  ixpk= 677, nxpk= 15, iat=1149,1458, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   99 TRP  HZ2          99 TRP  HE1         5.50    (#    678:15  Unique         2.85, 2.90 A)
 &rst
  ixpk= 678, nxpk= 15, iat=1471,1468, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   99 TRP  HD1          99 TRP  HE1         4.50    (#    679:15  Unique         2.54, 2.56 A)
 &rst
  ixpk= 679, nxpk= 15, iat=1466,1468, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   77 ILE  QD1          99 TRP  HE1         5.50    (#    680:15  Unique         3.45, 6.24 A)
 &rst
  ixpk= 680, nxpk= 15, iat=  -1,1468, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1143,1144,1145,
 &end
#
#   97 GLU  HB-          99 TRP  HE1         5.50    (#    681:15  Unique         2.76, 3.95 A)
 &rst
  ixpk= 681, nxpk= 15, iat=  -1,1468, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1435,1436,
 &end
#
#   97 GLU  HB+          99 TRP  HE1         4.50    (#    682:15  Unique         2.76, 3.95 A)
 &rst
  ixpk= 682, nxpk= 15, iat=  -1,1468, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1435,1436,
 &end
#
#  101 LEU  HA          101 LEU  HN          4.50    (#    683:15  Unique         2.87, 2.95 A)
 &rst
  ixpk= 683, nxpk= 15, iat=1501,1499, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  101 LEU  HG          101 LEU  HN          4.50    (#    684:15  Unique         3.76, 4.30 A)
 &rst
  ixpk= 684, nxpk= 15, iat=1506,1499, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   25 LEU  MDY          27 ALA  HN          5.50    (#    686:15  Unique         5.99, 7.24 A)
 &rst
  ixpk= 686, nxpk= 15, iat=  -1, 419, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 402, 403, 404, 406, 407, 408,
 &end
#
#  101 LEU  HB-         101 LEU  HN          5.50    (#    687:15  Unique         2.08, 3.03 A)
 &rst
  ixpk= 687, nxpk= 15, iat=  -1,1499, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1503,1504,
 &end
#
#  101 LEU  HB-         102 GLU  HN          3.50    (#    688:15  Unique         2.61, 3.61 A)
 &rst
  ixpk= 688, nxpk= 15, iat=  -1,1518, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1503,1504,
 &end
#
#  102 GLU  HG-         102 GLU  HN          2.80    (#    689:15  Unique         2.18, 3.24 A)
 &rst
  ixpk= 689, nxpk= 15, iat=  -1,1518, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1525,1526,
 &end
#
#  101 LEU  HN          102 GLU  HN          5.50    (#    690:15  Unique         4.27, 4.52 A)
 &rst
  ixpk= 690, nxpk= 15, iat=1499,1518, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  103 ASP  HN          102 GLU  HN          5.50    (#    691:15  Unique         2.51, 3.67 A)
 &rst
  ixpk= 691, nxpk= 15, iat=1533,1518, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  102 GLU  HN          103 ASP  HN          5.50    (#    692:15  Unique         2.51, 3.67 A)
 &rst
  ixpk= 692, nxpk= 15, iat=1518,1533, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  104 PRO  HD+         103 ASP  HN          5.50    (#    693:15  Unique         3.14, 4.45 A)
 &rst
  ixpk= 693, nxpk= 15, iat=  -1,1533, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1546,1547,
 &end
#
#  104 PRO  HB+         105 ASP  HN          5.50    (#    694:15  Unique         3.95, 4.47 A)
 &rst
  ixpk= 694, nxpk= 15, iat=  -1,1559, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1552,1553,
 &end
#
#  115 VAL  MGY         105 ASP  HN          5.50    (#    695:15  Unique         5.37, 6.82 A)
 &rst
  ixpk= 695, nxpk= 15, iat=  -1,1559, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1720,1721,1722,1724,1725,1726,
 &end
#
#    0 AMB  15-2:696    105 ASP  HN          4.50    (#    696:15  Single Ambig)
 &rst
  ixpk= 696, nxpk= 15, iat=  -1,1559, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1549,1550,1552,1553,
 &end
#
#  104 PRO  HG+         105 ASP  HN          3.50    (#    697:15  Unique         3.02, 4.12 A)
 &rst
  ixpk= 697, nxpk= 15, iat=  -1,1559, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1549,1550,
 &end
#
#  105 ASP  HB-         105 ASP  HN          3.50    (#    699:15  Unique         2.27, 2.51 A)
 &rst
  ixpk= 699, nxpk= 15, iat=  -1,1559, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1563,1564,
 &end
#
#  103 ASP  HB+         105 ASP  HN          5.50    (#    700:15  Unique         3.40, 4.40 A)
 &rst
  ixpk= 700, nxpk= 15, iat=  -1,1559, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1537,1538,
 &end
#
#  104 PRO  HD+         105 ASP  HN          3.50    (#    701:15  Unique         2.74, 3.68 A)
 &rst
  ixpk= 701, nxpk= 15, iat=  -1,1559, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1546,1547,
 &end
#
#  103 ASP  HA          105 ASP  HN          4.50    (#    702:15  Unique         3.51, 4.06 A)
 &rst
  ixpk= 702, nxpk= 15, iat=1535,1559, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:705    106 GLY  HN          3.50    (#    705:15  Single Ambig)
 &rst
  ixpk= 705, nxpk= 15, iat=  -1,1571, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1561,1573,1574,
 &end
#
#  106 GLY  HA-         106 GLY  HN          5.50    (#    706:15  Unique         2.25, 2.58 A)
 &rst
  ixpk= 706, nxpk= 15, iat=  -1,1571, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1573,1574,
 &end
#
#  107 GLN  HG+         107 GLN  HN          3.50    (#    707:15  Unique         2.31, 3.02 A)
 &rst
  ixpk= 707, nxpk= 15, iat=  -1,1578, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1585,1586,
 &end
#
#  106 GLY  HA-         107 GLN  HN          3.50    (#    708:15  Unique         3.04, 3.37 A)
 &rst
  ixpk= 708, nxpk= 15, iat=  -1,1578, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1573,1574,
 &end
#
#    0 AMB  15-2:709    107 GLN  HN          3.50    (#    709:15  Single Ambig)
 &rst
  ixpk= 709, nxpk= 15, iat=  -1,1578, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1573,1574,1561,
 &end
#
#  107 GLN  HA          107 GLN  HN          3.50    (#    710:15  Unique         2.94, 2.96 A)
 &rst
  ixpk= 710, nxpk= 15, iat=1580,1578, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:711    107 GLN  HN          5.50    (#    711:15  Single Ambig)
 &rst
  ixpk= 711, nxpk= 15, iat=  -1,1578, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1666,1670, 655,
 &end
#
#  106 GLY  HN          107 GLN  HN          5.50    (#    712:15  Unique         2.60, 2.80 A)
 &rst
  ixpk= 712, nxpk= 15, iat=1571,1578, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  107 GLN  HN          107 GLN  HE2+        5.50    (#    713:15  Unique         3.76, 5.35 A)
 &rst
  ixpk= 713, nxpk= 15, iat=1578,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1590,1591,
 &end
#
#  104 PRO  HA          107 GLN  HE2+        3.50    (#    717:15  Unique         2.17, 3.86 A)
 &rst
  ixpk= 717, nxpk= 15, iat=1555,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1590,1591,
 &end
#
#  104 PRO  HA          107 GLN  HE2-        4.50    (#    718:15  Unique         2.17, 3.86 A)
 &rst
  ixpk= 718, nxpk= 15, iat=1555,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1590,1591,
 &end
#
#  107 GLN  HG+         107 GLN  HE2+        2.80    (#    719:15  Unique         2.21, 3.18 A)
 &rst
  ixpk= 719, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1585,1586,
 igr2=1590,1591,
 &end
#
#  107 GLN  HG+         107 GLN  HE2-        4.50    (#    720:15  Unique         2.21, 3.18 A)
 &rst
  ixpk= 720, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1585,1586,
 igr2=1590,1591,
 &end
#
#  107 GLN  HG-         107 GLN  HE2-        3.50    (#    721:15  Unique         2.21, 3.18 A)
 &rst
  ixpk= 721, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1585,1586,
 igr2=1590,1591,
 &end
#
#  111 VAL  MGY         107 GLN  HE2+        5.50    (#    722:15  Unique         2.60, 5.19 A)
 &rst
  ixpk= 722, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1646,1647,1648,1650,1651,1652,
 igr2=1590,1591,
 &end
#
#  111 VAL  MGY         107 GLN  HE2-        5.50    (#    723:15  Unique         2.60, 5.19 A)
 &rst
  ixpk= 723, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1646,1647,1648,1650,1651,1652,
 igr2=1590,1591,
 &end
#
#  111 VAL  MGX         107 GLN  HE2+        4.50    (#    724:15  Unique         2.60, 5.19 A)
 &rst
  ixpk= 724, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1646,1647,1648,1650,1651,1652,
 igr2=1590,1591,
 &end
#
#  111 VAL  MGX         107 GLN  HE2-        4.50    (#    725:15  Unique         2.60, 5.19 A)
 &rst
  ixpk= 725, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1646,1647,1648,1650,1651,1652,
 igr2=1590,1591,
 &end
#
#  111 VAL  MGX         108 SER  HN          4.50    (#    726:15  Unique         2.84, 4.88 A)
 &rst
  ixpk= 726, nxpk= 15, iat=  -1,1595, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1646,1647,1648,1650,1651,1652,
 &end
#
#  111 VAL  MGY         108 SER  HN          3.50    (#    727:15  Unique         2.84, 4.88 A)
 &rst
  ixpk= 727, nxpk= 15, iat=  -1,1595, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1646,1647,1648,1650,1651,1652,
 &end
#
#    0 AMB  15-2:728    108 SER  HN          5.50    (#    728:15  Single Ambig)
 &rst
  ixpk= 728, nxpk= 15, iat=  -1,1595, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1606,1571,
 &end
#
#  110 GLU  HN          109 LEU  HN          3.50    (#    729:15  Unique         2.71, 2.90 A)
 &rst
  ixpk= 729, nxpk= 15, iat=1625,1606, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  108 SER  HB+         109 LEU  HN          4.50    (#    731:15  Unique         2.43, 3.12 A)
 &rst
  ixpk= 731, nxpk= 15, iat=  -1,1606, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1599,1600,
 &end
#
#  109 LEU  HB-         109 LEU  HN          3.50    (#    732:15  Unique         2.01, 2.74 A)
 &rst
  ixpk= 732, nxpk= 15, iat=  -1,1606, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1610,1611,
 &end
#
#  109 LEU  MDY         109 LEU  HN          3.50    (#    733:15  Unique         1.87, 4.47 A)
 &rst
  ixpk= 733, nxpk= 15, iat=  -1,1606, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1615,1616,1617,1619,1620,1621,
 &end
#
#  109 LEU  MDX         109 LEU  HN          4.50    (#    734:15  Unique         1.87, 4.47 A)
 &rst
  ixpk= 734, nxpk= 15, iat=  -1,1606, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1615,1616,1617,1619,1620,1621,
 &end
#
#  111 VAL  MGX         111 VAL  HN          3.50    (#    735:15  Unique         2.05, 3.76 A)
 &rst
  ixpk= 735, nxpk= 15, iat=  -1,1640, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1646,1647,1648,1650,1651,1652,
 &end
#
#    0 AMB  15-2:736    111 VAL  HN          3.50    (#    736:15  Single Ambig)
 &rst
  ixpk= 736, nxpk= 15, iat=  -1,1640, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1599,1600,1627,
 &end
#
#  108 SER  HB-         111 VAL  HN          4.50    (#    737:15  Unique         2.84, 3.91 A)
 &rst
  ixpk= 737, nxpk= 15, iat=  -1,1640, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1599,1600,
 &end
#
#  113 ARG  HN          111 VAL  HN          5.50    (#    739:15  Unique         3.97, 4.10 A)
 &rst
  ixpk= 739, nxpk= 15, iat=1676,1640, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  104 PRO  HB+         112 PHE  HN          5.50    (#    740:15  Unique         2.80, 3.31 A)
 &rst
  ixpk= 740, nxpk= 15, iat=  -1,1656, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1552,1553,
 &end
#
#  111 VAL  MGX         112 PHE  HN          3.50    (#    741:15  Unique         3.95, 4.74 A)
 &rst
  ixpk= 741, nxpk= 15, iat=  -1,1656, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1646,1647,1648,1650,1651,1652,
 &end
#
#  115 VAL  MGY         114 THR  HN          4.50    (#    742:15  Unique         4.39, 6.33 A)
 &rst
  ixpk= 742, nxpk= 15, iat=  -1,1700, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1720,1721,1722,1724,1725,1726,
 &end
#
#  111 VAL  MGY         112 PHE  HN          3.50    (#    743:15  Unique         3.95, 4.74 A)
 &rst
  ixpk= 743, nxpk= 15, iat=  -1,1656, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1646,1647,1648,1650,1651,1652,
 &end
#
#  112 PHE  HB-         112 PHE  HN          3.50    (#    744:15  Unique         2.39, 3.07 A)
 &rst
  ixpk= 744, nxpk= 15, iat=  -1,1656, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1660,1661,
 &end
#
#  109 LEU  HA          112 PHE  HN          3.50    (#    745:15  Unique         2.95, 3.25 A)
 &rst
  ixpk= 745, nxpk= 15, iat=1608,1656, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  112 PHE  HD          112 PHE  HN          3.50    (#    747:15  Unique         1.71, 3.56 A)
 &rst
  ixpk= 747, nxpk= 15, iat=  -1,1656, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1664,1672,
 &end
#
#  115 VAL  HN          114 THR  HN          2.80    (#    748:15  Unique         2.69, 2.74 A)
 &rst
  ixpk= 748, nxpk= 15, iat=1714,1700, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:749    113 ARG  HN          3.50    (#    749:15  Single Ambig)
 &rst
  ixpk= 749, nxpk= 15, iat=  -1,1676, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1656,1700,
 &end
#
#  113 ARG  HA          113 ARG  HN          3.50    (#    750:15  Unique         2.83, 2.86 A)
 &rst
  ixpk= 750, nxpk= 15, iat=1678,1676, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  112 PHE  HB+         113 ARG  HN          4.50    (#    751:15  Unique         2.30, 2.96 A)
 &rst
  ixpk= 751, nxpk= 15, iat=  -1,1676, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1660,1661,
 &end
#
#    0 AMB  15-2:752    113 ARG  HN          5.50    (#    752:15  Single Ambig)
 &rst
  ixpk= 752, nxpk= 15, iat=  -1,1676, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1660,1661,1686,1687,
 &end
#
#  113 ARG  HG+         113 ARG  HN          3.50    (#    753:15  Unique         2.27, 3.03 A)
 &rst
  ixpk= 753, nxpk= 15, iat=  -1,1676, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1683,1684,
 &end
#
#  113 ARG  HB+         113 ARG  HN          3.50    (#    754:15  Unique         2.28, 2.95 A)
 &rst
  ixpk= 754, nxpk= 15, iat=  -1,1676, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1680,1681,
 &end
#
#  113 ARG  HG-         113 ARG  HN          4.50    (#    755:15  Unique         2.27, 3.03 A)
 &rst
  ixpk= 755, nxpk= 15, iat=  -1,1676, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1683,1684,
 &end
#
#  114 THR  MG2         114 THR  HN          3.50    (#    756:15  Unique         4.07, 4.33 A)
 &rst
  ixpk= 756, nxpk= 15, iat=  -1,1700, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1706,1707,1708,
 &end
#
#  113 ARG  HB+         114 THR  HN          2.80    (#    757:15  Unique         2.67, 3.24 A)
 &rst
  ixpk= 757, nxpk= 15, iat=  -1,1700, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1680,1681,
 &end
#
#    0 AMB  15-2:758      0 AMB  15-1:758    4.50    (#    758:15  Double Ambig)
 &rst
  ixpk= 758, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1582,1583,1585,1586,1629,1630,
 igr2=1656,1700,
 &end
#
#  114 THR  HN          115 VAL  HN          3.50    (#    759:15  Unique         2.69, 2.74 A)
 &rst
  ixpk= 759, nxpk= 15, iat=1700,1714, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:760    115 VAL  HN          4.50    (#    760:15  Single Ambig)
 &rst
  ixpk= 760, nxpk= 15, iat=  -1,1714, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1702,1546,1547,
 &end
#
#  118 GLN  HB+         115 VAL  HN          5.50    (#    761:15  Unique         4.62, 5.87 A)
 &rst
  ixpk= 761, nxpk= 15, iat=  -1,1714, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1765,1766,
 &end
#
#  114 THR  MG2         115 VAL  HN          3.50    (#    762:15  Unique         2.97, 3.99 A)
 &rst
  ixpk= 762, nxpk= 15, iat=  -1,1714, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1706,1707,1708,
 &end
#
#    0 AMB  15-2:763    115 VAL  HN          4.50    (#    763:15  Single Ambig)
 &rst
  ixpk= 763, nxpk= 15, iat=  -1,1714, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1646,1647,1648,1650,1651,1652,1552,1553,1549,1550,
      
 &end
#
#  111 VAL  MGX         115 VAL  HN          4.50    (#    764:15  Unique         4.00, 5.80 A)
 &rst
  ixpk= 764, nxpk= 15, iat=  -1,1714, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1646,1647,1648,1650,1651,1652,
 &end
#
#  116 ARG  HA          116 ARG  HN          4.50    (#    765:15  Unique         2.82, 2.85 A)
 &rst
  ixpk= 765, nxpk= 15, iat=1732,1730, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  116 ARG  HN          117 GLY  HN          3.50    (#    766:15  Unique         2.74, 2.91 A)
 &rst
  ixpk= 766, nxpk= 15, iat=1730,1754, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  115 VAL  HN          117 GLY  HN          5.50    (#    767:15  Unique         4.12, 4.53 A)
 &rst
  ixpk= 767, nxpk= 15, iat=1714,1754, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  116 ARG  HB-         117 GLY  HN          3.50    (#    768:15  Unique         2.41, 3.06 A)
 &rst
  ixpk= 768, nxpk= 15, iat=  -1,1754, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1734,1735,
 &end
#
#  116 ARG  HB+         117 GLY  HN          3.50    (#    769:15  Unique         2.41, 3.06 A)
 &rst
  ixpk= 769, nxpk= 15, iat=  -1,1754, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1734,1735,
 &end
#
#    0 AMB  15-2:770    117 GLY  HN          5.50    (#    770:15  Single Ambig)
 &rst
  ixpk= 770, nxpk= 15, iat=  -1,1754, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1720,1721,1722,1724,1725,1726,1720,1721,1722,1724,
      1725,1726,
 &end
#
#    0 AMB  15-2:771    118 GLN  HN          4.50    (#    771:15  Single Ambig)
 &rst
  ixpk= 771, nxpk= 15, iat=  -1,1761, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1720,1721,1722,1724,1725,1726,1720,1721,1722,1724,
      1725,1726,
 &end
#
#    0 AMB  15-2:772    118 GLN  HN          4.50    (#    772:15  Single Ambig)
 &rst
  ixpk= 772, nxpk= 15, iat=  -1,1761, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1=1706,1707,1708,1784,1785,1786,1788,1789,1790,
 &end
#
#  118 GLN  HG+         118 GLN  HE2-        4.50    (#    773:15  Unique         2.21, 3.28 A)
 &rst
  ixpk= 773, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1768,1769,
 igr2=1773,1774,
 &end
#
#  118 GLN  HG-         118 GLN  HE2-        3.50    (#    774:15  Unique         2.21, 3.28 A)
 &rst
  ixpk= 774, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1768,1769,
 igr2=1773,1774,
 &end
#
#  118 GLN  HB-         118 GLN  HE2+        4.50    (#    775:15  Unique         2.24, 4.21 A)
 &rst
  ixpk= 775, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1765,1766,
 igr2=1773,1774,
 &end
#
#  114 THR  MG2         118 GLN  HE2-        3.50    (#    776:15  Unique         3.09, 4.66 A)
 &rst
  ixpk= 776, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1706,1707,1708,
 igr2=1773,1774,
 &end
#
#  115 VAL  MGY         118 GLN  HE2-        5.50    (#    777:15  Unique         2.98, 7.42 A)
 &rst
  ixpk= 777, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1720,1721,1722,1724,1725,1726,
 igr2=1773,1774,
 &end
#
#    0 AMB  15-2:778      0 AMB  15-1:778    5.50    (#    778:15  Double Ambig)
 &rst
  ixpk= 778, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
 igr1=1720,1721,1722,1724,1725,1726,1720,1721,1722,1724,
      1725,1726,
 igr2=1773,1774,1773,1774,
 &end
#
#  120 LYS  HG-         121 GLU  HN          5.50    (#    779:15  Unique         3.59, 4.22 A)
 &rst
  ixpk= 779, nxpk= 15, iat=  -1,1816, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1801,1802,
 &end
#
#  120 LYS  HB+         121 GLU  HN          3.50    (#    780:15  Unique         2.34, 3.06 A)
 &rst
  ixpk= 780, nxpk= 15, iat=  -1,1816, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1798,1799,
 &end
#
#  120 LYS  HG+         121 GLU  HN          4.50    (#    781:15  Unique         3.59, 4.22 A)
 &rst
  ixpk= 781, nxpk= 15, iat=  -1,1816, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1801,1802,
 &end
#
#    0 AMB  15-2:782    121 GLU  HN          4.50    (#    782:15  Single Ambig)
 &rst
  ixpk= 782, nxpk= 15, iat=  -1,1816, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1823,1824,1859,
 &end
#
#    0 AMB  15-2:783    121 GLU  HN          5.50    (#    783:15  Single Ambig)
 &rst
  ixpk= 783, nxpk= 15, iat=  -1,1816, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1782,1765,1766,
 &end
#
#  120 LYS  HA          121 GLU  HN          4.50    (#    784:15  Unique         3.56, 3.59 A)
 &rst
  ixpk= 784, nxpk= 15, iat=1796,1816, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  120 LYS  HN          121 GLU  HN          3.50    (#    785:15  Unique         2.84, 2.93 A)
 &rst
  ixpk= 785, nxpk= 15, iat=1794,1816, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  123 VAL  HN          122 ARG  HN          3.50    (#    786:15  Unique         2.61, 2.71 A)
 &rst
  ixpk= 786, nxpk= 15, iat=1855,1831, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  122 ARG  HA          122 ARG  HN          3.50    (#    787:15  Unique         2.85, 2.88 A)
 &rst
  ixpk= 787, nxpk= 15, iat=1833,1831, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  121 GLU  HA          122 ARG  HN          5.50    (#    788:15  Unique         3.58, 3.60 A)
 &rst
  ixpk= 788, nxpk= 15, iat=1818,1831, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  119 VAL  HA          122 ARG  HN          5.50    (#    789:15  Unique         3.18, 3.52 A)
 &rst
  ixpk= 789, nxpk= 15, iat=1780,1831, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:790    122 ARG  HN          4.50    (#    790:15  Single Ambig)
 &rst
  ixpk= 790, nxpk= 15, iat=  -1,1831, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1841,1842,1875,1876,
 &end
#
#  121 GLU  HB-         122 ARG  HN          3.50    (#    791:15  Unique         2.56, 3.32 A)
 &rst
  ixpk= 791, nxpk= 15, iat=  -1,1831, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1820,1821,
 &end
#
#  122 ARG  HB+         122 ARG  HN          3.50    (#    792:15  Unique         2.45, 3.11 A)
 &rst
  ixpk= 792, nxpk= 15, iat=  -1,1831, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1835,1836,
 &end
#
#  122 ARG  HG+         122 ARG  HN          3.50    (#    793:15  Unique         2.31, 2.79 A)
 &rst
  ixpk= 793, nxpk= 15, iat=  -1,1831, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1838,1839,
 &end
#
#  122 ARG  HG-         122 ARG  HN          3.50    (#    794:15  Unique         2.31, 2.79 A)
 &rst
  ixpk= 794, nxpk= 15, iat=  -1,1831, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1838,1839,
 &end
#
#  122 ARG  HG-         123 VAL  HN          4.50    (#    795:15  Unique         4.14, 4.58 A)
 &rst
  ixpk= 795, nxpk= 15, iat=  -1,1855, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1838,1839,
 &end
#
#    0 AMB  15-2:796    123 VAL  HN          5.50    (#    796:15  Single Ambig)
 &rst
  ixpk= 796, nxpk= 15, iat=  -1,1855, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1782,1765,1766,
 &end
#
#  120 LYS  HA          123 VAL  HN          4.50    (#    797:15  Unique         3.63, 3.73 A)
 &rst
  ixpk= 797, nxpk= 15, iat=1796,1855, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:798    123 VAL  HN          5.50    (#    798:15  Single Ambig)
 &rst
  ixpk= 798, nxpk= 15, iat=  -1,1855, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1=1875,1876,1929,1930,1923,
 &end
#
#  126 LEU  HB-         123 VAL  HN          5.50    (#    799:15  Unique         5.07, 5.46 A)
 &rst
  ixpk= 799, nxpk= 15, iat=  -1,1855, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1904,1905,
 &end
#
#  122 ARG  HA          123 VAL  HN          3.50    (#    800:15  Unique         3.57, 3.58 A)
 &rst
  ixpk= 800, nxpk= 15, iat=1833,1855, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  123 VAL  HA          123 VAL  HN          3.50    (#    801:15  Unique         2.84, 2.87 A)
 &rst
  ixpk= 801, nxpk= 15, iat=1857,1855, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  122 ARG  HN          123 VAL  HN          3.50    (#    802:15  Unique         2.61, 2.71 A)
 &rst
  ixpk= 802, nxpk= 15, iat=1831,1855, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  125 ASN  HN          124 GLU  HN          3.50    (#    803:15  Unique         2.69, 2.75 A)
 &rst
  ixpk= 803, nxpk= 15, iat=1886,1871, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  121 GLU  HA          124 GLU  HN          4.50    (#    804:15  Unique         3.37, 3.54 A)
 &rst
  ixpk= 804, nxpk= 15, iat=1818,1871, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  123 VAL  MGX         124 GLU  HN          4.50    (#    805:15  Unique         2.61, 4.57 A)
 &rst
  ixpk= 805, nxpk= 15, iat=  -1,1871, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1861,1862,1863,1865,1866,1867,
 &end
#
#    0 AMB  15-2:806      0 AMB  15-1:806    3.50    (#    806:15  Double Ambig)
 &rst
  ixpk= 806, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 402, 403, 404, 406, 407, 408,1720,1721,1722,1724,
      1725,1726,1720,1721,1722,1724,1725,1726,
 igr2=1871,1730,
 &end
#
#    0 AMB  15-2:807    125 ASN  HN          4.50    (#    807:15  Single Ambig)
 &rst
  ixpk= 807, nxpk= 15, iat=  -1,1886, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1838,1839, 402, 403, 404, 406, 407, 408,1929,1930,
      
 &end
#
#  124 GLU  HB-         125 ASN  HN          3.50    (#    808:15  Unique         2.66, 3.14 A)
 &rst
  ixpk= 808, nxpk= 15, iat=  -1,1886, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1875,1876,
 &end
#
#  124 GLU  HG+         125 ASN  HN          5.50    (#    809:15  Unique         4.59, 4.90 A)
 &rst
  ixpk= 809, nxpk= 15, iat=  -1,1886, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1878,1879,
 &end
#
#  126 LEU  HB+         125 ASN  HN          5.50    (#    810:15  Unique         4.37, 4.86 A)
 &rst
  ixpk= 810, nxpk= 15, iat=  -1,1886, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1904,1905,
 &end
#
#  122 ARG  HA          125 ASN  HN          4.50    (#    811:15  Unique         3.22, 3.43 A)
 &rst
  ixpk= 811, nxpk= 15, iat=1833,1886, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  124 GLU  HA          125 ASN  HN          3.50    (#    812:15  Unique         3.54, 3.55 A)
 &rst
  ixpk= 812, nxpk= 15, iat=1873,1886, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  121 GLU  HA          125 ASN  HN          4.50    (#    813:15  Unique         3.93, 4.12 A)
 &rst
  ixpk= 813, nxpk= 15, iat=1818,1886, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  125 ASN  HA          125 ASN  HN          3.50    (#    814:15  Unique         2.81, 2.83 A)
 &rst
  ixpk= 814, nxpk= 15, iat=1888,1886, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  125 ASN  HD2+        125 ASN  HN          4.50    (#    815:15  Unique         3.54, 5.18 A)
 &rst
  ixpk= 815, nxpk= 15, iat=  -1,1886, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1895,1896,
 &end
#
#  127 ILE  HN          125 ASN  HN          5.50    (#    817:15  Unique         4.10, 4.24 A)
 &rst
  ixpk= 817, nxpk= 15, iat=1919,1886, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  124 GLU  HN          125 ASN  HN          3.50    (#    818:15  Unique         2.69, 2.75 A)
 &rst
  ixpk= 818, nxpk= 15, iat=1871,1886, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  125 ASN  HN          125 ASN  HD2-        5.50    (#    820:15  Unique         3.54, 5.18 A)
 &rst
  ixpk= 820, nxpk= 15, iat=1886,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1895,1896,
 &end
#
#  125 ASN  HA          125 ASN  HD2-        5.50    (#    823:15  Unique         2.61, 3.51 A)
 &rst
  ixpk= 823, nxpk= 15, iat=1888,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1895,1896,
 &end
#
#  125 ASN  HA          125 ASN  HD2+        5.50    (#    824:15  Unique         2.61, 3.51 A)
 &rst
  ixpk= 824, nxpk= 15, iat=1888,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1895,1896,
 &end
#
#  122 ARG  HA          125 ASN  HD2+        5.50    (#    825:15  Unique         2.93, 5.96 A)
 &rst
  ixpk= 825, nxpk= 15, iat=1833,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1895,1896,
 &end
#
#  125 ASN  HB-         125 ASN  HD2+        2.80    (#    826:15  Unique         2.29, 3.41 A)
 &rst
  ixpk= 826, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1890,1891,
 igr2=1895,1896,
 &end
#
#  125 ASN  HB+         125 ASN  HD2-        3.50    (#    827:15  Unique         2.29, 3.41 A)
 &rst
  ixpk= 827, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1890,1891,
 igr2=1895,1896,
 &end
#
#  121 GLU  HG-         125 ASN  HD2-        5.50    (#    828:15  Unique         5.44, 6.78 A)
 &rst
  ixpk= 828, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1823,1824,
 igr2=1895,1896,
 &end
#
#    0 AMB  15-2:829    125 ASN  HD2-        5.50    (#    829:15  Single Ambig)
 &rst
  ixpk= 829, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1904,1905,1952,1953,
 igr2=1895,1896,
 &end
#
#    0 AMB  15-2:830      0 AMB  15-1:830    4.50    (#    830:15  Double Ambig)
 &rst
  ixpk= 830, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1=1486,1487,1904,1905,1952,1953,
 igr2=1494,1495,1895,1896,1895,1896,
 &end
#
#  100 GLN  HG+         100 GLN  HE2-        3.50    (#    831:15  Unique         2.23, 3.32 A)
 &rst
  ixpk= 831, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1489,1490,
 igr2=1494,1495,
 &end
#
#    0 AMB  15-2:832    126 LEU  HN          5.50    (#    832:15  Single Ambig)
 &rst
  ixpk= 832, nxpk= 15, iat=  -1,1900, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1976,1977,1978,1925,1926,1927,
 &end
#
#  126 LEU  MDY         126 LEU  HN          4.50    (#    833:15  Unique         4.48, 5.11 A)
 &rst
  ixpk= 833, nxpk= 15, iat=  -1,1900, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1909,1910,1911,1913,1914,1915,
 &end
#
#    0 AMB  15-2:834    126 LEU  HN          4.50    (#    834:15  Single Ambig)
 &rst
  ixpk= 834, nxpk= 15, iat=  -1,1900, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1907,1942,1943,1944,
 &end
#
#    0 AMB  15-2:835    126 LEU  HN          4.50    (#    835:15  Single Ambig)
 &rst
  ixpk= 835, nxpk= 15, iat=  -1,1900, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1929,1930,1923,
 &end
#
#  125 ASN  HB-         126 LEU  HN          3.50    (#    836:15  Unique         2.54, 3.31 A)
 &rst
  ixpk= 836, nxpk= 15, iat=  -1,1900, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1890,1891,
 &end
#
#    0 AMB  15-2:837    126 LEU  HN          3.50    (#    837:15  Single Ambig)
 &rst
  ixpk= 837, nxpk= 15, iat=  -1,1900, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1857,1873,
 &end
#
#  122 ARG  HA          126 LEU  HN          5.50    (#    838:15  Unique         3.98, 4.21 A)
 &rst
  ixpk= 838, nxpk= 15, iat=1833,1900, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  125 ASN  HA          126 LEU  HN          4.50    (#    839:15  Unique         3.55, 3.57 A)
 &rst
  ixpk= 839, nxpk= 15, iat=1888,1900, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   99 TRP  HZ2         126 LEU  HN          5.50    (#    840:15  Unique         3.01, 4.11 A)
 &rst
  ixpk= 840, nxpk= 15, iat=1471,1900, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  125 ASN  HD2+        126 LEU  HN          5.50    (#    841:15  Unique         2.45, 5.50 A)
 &rst
  ixpk= 841, nxpk= 15, iat=  -1,1900, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1895,1896,
 &end
#
#  127 ILE  HN          126 LEU  HN          2.80    (#    842:15  Unique         2.81, 2.85 A)
 &rst
  ixpk= 842, nxpk= 15, iat=1919,1900, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  124 GLU  HN          126 LEU  HN          5.50    (#    843:15  Unique         4.24, 4.38 A)
 &rst
  ixpk= 843, nxpk= 15, iat=1871,1900, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  127 ILE  QG2         128 ALA  HN          4.50    (#    844:15  Unique         3.25, 4.12 A)
 &rst
  ixpk= 844, nxpk= 15, iat=  -1,1938, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1925,1926,1927,
 &end
#
#    0 AMB  15-2:845    128 ALA  HN          5.50    (#    845:15  Single Ambig)
 &rst
  ixpk= 845, nxpk= 15, iat=  -1,1938, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=1909,1910,1911,1913,1914,1915,1909,1910,1911,1913,
      1914,1915, 402, 403, 404, 406, 407, 408,
 &end
#
#    0 AMB  15-2:846    128 ALA  HN          4.50    (#    846:15  Single Ambig)
 &rst
  ixpk= 846, nxpk= 15, iat=  -1,1938, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1952,1953,1952,1953,1904,1905,
 &end
#
#  127 ILE  HA          128 ALA  HN          5.50    (#    847:15  Unique         3.62, 3.64 A)
 &rst
  ixpk= 847, nxpk= 15, iat=1921,1938, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:848    128 ALA  HN          4.50    (#    848:15  Single Ambig)
 &rst
  ixpk= 848, nxpk= 15, iat=  -1,1938, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1873,1993,1994,
 &end
#
#  125 ASN  HA          128 ALA  HN          3.50    (#    849:15  Unique         3.29, 3.45 A)
 &rst
  ixpk= 849, nxpk= 15, iat=1888,1938, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  127 ILE  HN          128 ALA  HN          2.80    (#    850:15  Unique         2.68, 2.72 A)
 &rst
  ixpk= 850, nxpk= 15, iat=1919,1938, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  129 LYS  HD+         129 LYS  HN          5.50    (#    852:15  Unique         3.33, 4.42 A)
 &rst
  ixpk= 852, nxpk= 15, iat=  -1,1948, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1958,1959,
 &end
#
#    0 AMB  15-2:853    129 LYS  HN          5.50    (#    853:15  Single Ambig)
 &rst
  ixpk= 853, nxpk= 15, iat=  -1,1948, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1=1976,1977,1978,1405,1406,1407,1925,1926,1927,
 &end
#
#  130 ILE  QD1         130 ILE  HN          3.50    (#    854:15  Unique         3.91, 4.40 A)
 &rst
  ixpk= 854, nxpk= 15, iat=  -1,1970, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1983,1984,1985,
 &end
#
#    0 AMB  15-2:855    130 ILE  HN          5.50    (#    855:15  Single Ambig)
 &rst
  ixpk= 855, nxpk= 15, iat=  -1,1970, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1909,1910,1911,1913,1914,1915,1909,1910,1911,1913,
      1914,1915,
 &end
#
#  127 ILE  HA          130 ILE  HN          3.50    (#    856:15  Unique         3.40, 3.46 A)
 &rst
  ixpk= 856, nxpk= 15, iat=1921,1970, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  129 LYS  HA          130 ILE  HN          3.50    (#    857:15  Unique         3.57, 3.61 A)
 &rst
  ixpk= 857, nxpk= 15, iat=1950,1970, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  130 ILE  HA          130 ILE  HN          2.80    (#    858:15  Unique         2.83, 2.86 A)
 &rst
  ixpk= 858, nxpk= 15, iat=1972,1970, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   96 PHE  HA           97 GLU  HN          2.80    (#    859:15  Unique         2.21, 2.33 A)
 &rst
  ixpk= 859, nxpk= 15, iat=1413,1431, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  128 ALA  HA          131 SER  HN          5.50    (#    861:15  Unique         3.87, 4.02 A)
 &rst
  ixpk= 861, nxpk= 15, iat=1940,1989, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  131 SER  HB+         131 SER  HN          3.50    (#    862:15  Unique         2.31, 2.95 A)
 &rst
  ixpk= 862, nxpk= 15, iat=  -1,1989, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1993,1994,
 &end
#
#  131 SER  HB-         131 SER  HN          3.50    (#    863:15  Unique         2.31, 2.95 A)
 &rst
  ixpk= 863, nxpk= 15, iat=  -1,1989, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1993,1994,
 &end
#
#  130 ILE  HG1+        131 SER  HN          3.50    (#    867:15  Unique         2.29, 2.57 A)
 &rst
  ixpk= 867, nxpk= 15, iat=  -1,1989, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1980,1981,
 &end
#
#  130 ILE  QD1         131 SER  HN          5.50    (#    869:15  Unique         4.44, 4.80 A)
 &rst
  ixpk= 869, nxpk= 15, iat=  -1,1989, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1983,1984,1985,
 &end
#
#   57 ILE  QG2          60 GLN  HE2+        4.50    (#    870:15  Unique         1.98, 4.25 A)
 &rst
  ixpk= 870, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 850, 851, 852,
 igr2= 893, 894,
 &end
#
#   57 ILE  QG2          60 GLN  HE2-        3.50    (#    871:15  Unique         1.98, 4.25 A)
 &rst
  ixpk= 871, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 850, 851, 852,
 igr2= 893, 894,
 &end
#
#    0 AMB  15-2:872      0 AMB  15-1:872    2.80    (#    872:15  Double Ambig)
 &rst
  ixpk= 872, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 885, 886, 312, 313, 309, 310,
 igr2= 893, 894, 893, 894, 893, 894,
 &end
#
#    0 AMB  15-2:873     60 GLN  HE2-        2.80    (#    873:15  Single Ambig)
 &rst
  ixpk= 873, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 312, 313, 309, 310,
 igr2= 893, 894,
 &end
#
#    0 AMB  15-2:874     60 GLN  HE2-        3.50    (#    874:15  Single Ambig)
 &rst
  ixpk= 874, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 885, 886, 848,
 igr2= 893, 894,
 &end
#
#   15 SER  HB+          60 GLN  HE2+        4.50    (#    875:15  Unique         2.39, 5.76 A)
 &rst
  ixpk= 875, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 254, 255,
 igr2= 893, 894,
 &end
#
#   15 SER  HB+          60 GLN  HE2-        4.50    (#    876:15  Unique         2.39, 5.76 A)
 &rst
  ixpk= 876, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 254, 255,
 igr2= 893, 894,
 &end
#
#   20 GLY  HN           60 GLN  HE2-        4.50    (#    877:15  Unique         3.52, 4.92 A)
 &rst
  ixpk= 877, nxpk= 15, iat= 320,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 893, 894,
 &end
#
#   64 PRO  HD-          67 ASN  HD2+        5.50    (#    879:15  Unique         2.47, 5.01 A)
 &rst
  ixpk= 879, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 936, 937,
 igr2= 992, 993,
 &end
#
#   64 PRO  HD+          67 ASN  HD2+        3.50    (#    880:15  Unique         2.47, 5.01 A)
 &rst
  ixpk= 880, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 936, 937,
 igr2= 992, 993,
 &end
#
#   64 PRO  HD+          67 ASN  HD2-        4.50    (#    881:15  Unique         2.47, 5.01 A)
 &rst
  ixpk= 881, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 936, 937,
 igr2= 992, 993,
 &end
#
#   64 PRO  HD-          67 ASN  HD2-        5.50    (#    882:15  Unique         2.47, 5.01 A)
 &rst
  ixpk= 882, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 936, 937,
 igr2= 992, 993,
 &end
#
#   63 ASP  HB+          67 ASN  HD2-        4.50    (#    883:15  Unique         2.47, 4.66 A)
 &rst
  ixpk= 883, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 927, 928,
 igr2= 992, 993,
 &end
#
#   63 ASP  HB+          67 ASN  HD2+        4.50    (#    884:15  Unique         2.47, 4.66 A)
 &rst
  ixpk= 884, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 927, 928,
 igr2= 992, 993,
 &end
#
#    0 AMB  15-2:885      0 AMB  15-1:885    2.80    (#    885:15  Double Ambig)
 &rst
  ixpk= 885, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 987, 988, 942, 943,
 igr2= 992, 993, 992, 993,
 &end
#
#   64 PRO  HG-          67 ASN  HD2-        4.50    (#    886:15  Unique         3.59, 4.95 A)
 &rst
  ixpk= 886, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 939, 940,
 igr2= 992, 993,
 &end
#
#   64 PRO  HG-          67 ASN  HD2+        3.50    (#    887:15  Unique         3.59, 4.95 A)
 &rst
  ixpk= 887, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 939, 940,
 igr2= 992, 993,
 &end
#
#   71 ASP  HB-          69 ASN  HD2-        4.50    (#    888:15  Unique         2.25, 3.61 A)
 &rst
  ixpk= 888, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1045,1046,
 igr2=1026,1027,
 &end
#
#   69 ASN  HB-          69 ASN  HD2-        4.50    (#    889:15  Unique         2.28, 3.16 A)
 &rst
  ixpk= 889, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1021,1022,
 igr2=1026,1027,
 &end
#
#   69 ASN  HB+          69 ASN  HD2-        3.50    (#    890:15  Unique         2.28, 3.16 A)
 &rst
  ixpk= 890, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1021,1022,
 igr2=1026,1027,
 &end
#
#   71 ASP  HB-          69 ASN  HD2+        4.50    (#    891:15  Unique         2.25, 3.61 A)
 &rst
  ixpk= 891, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1045,1046,
 igr2=1026,1027,
 &end
#
#   69 ASN  HB-          69 ASN  HD2+        4.50    (#    892:15  Unique         2.28, 3.16 A)
 &rst
  ixpk= 892, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1021,1022,
 igr2=1026,1027,
 &end
#
#   69 ASN  HB+          69 ASN  HD2+        4.50    (#    893:15  Unique         2.28, 3.16 A)
 &rst
  ixpk= 893, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1021,1022,
 igr2=1026,1027,
 &end
#
#   69 ASN  HN           69 ASN  HD2-        5.50    (#    894:15  Unique         4.04, 5.34 A)
 &rst
  ixpk= 894, nxpk= 15, iat=1017,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1026,1027,
 &end
#
#   85 ASN  HB+          85 ASN  HD2+        3.50    (#    895:15  Unique         2.34, 3.30 A)
 &rst
  ixpk= 895, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1234,1235,
 igr2=1239,1240,
 &end
#
#   85 ASN  HB-          85 ASN  HD2+        3.50    (#    896:15  Unique         2.34, 3.30 A)
 &rst
  ixpk= 896, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1234,1235,
 igr2=1239,1240,
 &end
#
#   85 ASN  HB-          85 ASN  HD2-        4.50    (#    897:15  Unique         2.34, 3.30 A)
 &rst
  ixpk= 897, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1234,1235,
 igr2=1239,1240,
 &end
#
#   85 ASN  HB+          85 ASN  HD2-        4.50    (#    898:15  Unique         2.34, 3.30 A)
 &rst
  ixpk= 898, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1234,1235,
 igr2=1239,1240,
 &end
#
#    0 AMB  15-2:899      0 AMB  15-1:899    5.50    (#    899:15  Double Ambig)
 &rst
  ixpk= 899, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
 igr1= 555, 556, 557, 559, 560, 561, 555, 556, 557, 559,
       560, 561,
 igr2=1239,1240,1239,1240,
 &end
#
#    0 AMB  15-2:900     85 ASN  HD2-        5.50    (#    900:15  Single Ambig)
 &rst
  ixpk= 900, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1= 555, 556, 557, 559, 560, 561, 555, 556, 557, 559,
       560, 561,
 igr2=1239,1240,
 &end
#
#    0 AMB  15-2:902     26 GLY  HN          3.50    (#    902:15  Single Ambig)
 &rst
  ixpk= 902, nxpk= 15, iat=  -1, 412, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 395, 421,
 &end
#
#   27 ALA  HA           27 ALA  HN          2.80    (#    903:15  Unique         2.63, 2.75 A)
 &rst
  ixpk= 903, nxpk= 15, iat= 421, 419, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:904    126 LEU  HN          5.50    (#    904:15  Single Ambig)
 &rst
  ixpk= 904, nxpk= 15, iat=  -1,1900, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1=1875,1876,1859,1841,1842,
 &end
#
#    0 AMB  15-2:905    123 VAL  HN          3.50    (#    905:15  Single Ambig)
 &rst
  ixpk= 905, nxpk= 15, iat=  -1,1855, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1784,1785,1786,1788,1789,1790,1508,1509,1510,1512,
      1513,1514,
 &end
#
#    0 AMB  15-2:907    128 ALA  HN          5.50    (#    907:15  Single Ambig)
 &rst
  ixpk= 907, nxpk= 15, iat=  -1,1938, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 397, 398, 446, 447,
 &end
#
#   37 LEU  HG           37 LEU  HN          3.50    (#    908:15  Unique         2.83, 3.46 A)
 &rst
  ixpk= 908, nxpk= 15, iat= 553, 546, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  120 LYS  HA          120 LYS  HN          3.50    (#    909:15  Unique         2.71, 2.77 A)
 &rst
  ixpk= 909, nxpk= 15, iat=1796,1794, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  118 GLN  HB+         119 VAL  HN          2.80    (#    910:15  Unique         2.12, 2.79 A)
 &rst
  ixpk= 910, nxpk= 15, iat=  -1,1778, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1765,1766,
 &end
#
#  125 ASN  HB+         125 ASN  HN          2.80    (#    911:15  Unique         2.14, 2.57 A)
 &rst
  ixpk= 911, nxpk= 15, iat=  -1,1886, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1890,1891,
 &end
#
#    0 AMB  15-2:912      0 AMB  15-1:912    5.50    (#    912:15  Double Ambig)
 &rst
  ixpk= 912, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1608, 902,
 igr2=1625, 591,
 &end
#
#   71 ASP  HB+          72 ASP  HN          3.50    (#    913:15  Unique         2.51, 3.48 A)
 &rst
  ixpk= 913, nxpk= 15, iat=  -1,1053, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1045,1046,
 &end
#
#    0 AMB  15-2:914    121 GLU  HN          4.50    (#    914:15  Single Ambig)
 &rst
  ixpk= 914, nxpk= 15, iat=  -1,1816, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1835,1836,1784,1785,1786,1788,1789,1790,
 &end
#
#   71 ASP  HB+          71 ASP  HN          2.80    (#    915:15  Unique         2.46, 2.54 A)
 &rst
  ixpk= 915, nxpk= 15, iat=  -1,1041, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1045,1046,
 &end
#
#   65 ILE  HA           65 ILE  HN          4.50    (#    916:15  Unique         2.73, 2.79 A)
 &rst
  ixpk= 916, nxpk= 15, iat= 951, 949, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   25 LEU  HB+          26 GLY  HN          3.50    (#    917:15  Unique         2.54, 3.16 A)
 &rst
  ixpk= 917, nxpk= 15, iat=  -1, 412, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 397, 398,
 &end
#
#   40 SER  HA           41 ARG  HN          3.50    (#    920:15  Unique         2.27, 2.66 A)
 &rst
  ixpk= 920, nxpk= 15, iat= 593, 602, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   94 GLU  HG+          94 GLU  HN          2.80    (#    921:15  Unique         2.11, 2.94 A)
 &rst
  ixpk= 921, nxpk= 15, iat=  -1,1377, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1384,1385,
 &end
#
#   68 PHE  HD           67 ASN  HN          4.50    (#    922:15  Unique         2.88, 5.32 A)
 &rst
  ixpk= 922, nxpk= 15, iat=  -1, 983, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1005,1013,
 &end
#
#   89 GLU  HG+          70 ALA  HN          5.50    (#    923:15  Unique         2.84, 3.83 A)
 &rst
  ixpk= 923, nxpk= 15, iat=  -1,1031, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1298,1299,
 &end
#
#   74 ASP  HB+          75 VAL  HN          4.50    (#    924:15  Unique         2.59, 3.38 A)
 &rst
  ixpk= 924, nxpk= 15, iat=  -1,1098, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1090,1091,
 &end
#
#   96 PHE  HN           97 GLU  HN          5.50    (#    925:15  Unique         2.76, 4.09 A)
 &rst
  ixpk= 925, nxpk= 15, iat=1411,1431, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   96 PHE  HD           97 GLU  HN          4.50    (#    926:15  Unique         2.65, 4.08 A)
 &rst
  ixpk= 926, nxpk= 15, iat=  -1,1431, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1419,1427,
 &end
#
#   97 GLU  HB+          97 GLU  HN          5.50    (#    928:15  Unique         2.52, 3.40 A)
 &rst
  ixpk= 928, nxpk= 15, iat=  -1,1431, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1435,1436,
 &end
#
#   77 ILE  QD1          97 GLU  HN          4.50    (#    929:15  Unique         1.93, 3.40 A)
 &rst
  ixpk= 929, nxpk= 15, iat=  -1,1431, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1143,1144,1145,
 &end
#
#  129 LYS  HA          129 LYS  HN          3.50    (#    930:15  Unique         2.84, 2.88 A)
 &rst
  ixpk= 930, nxpk= 15, iat=1950,1948, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   89 GLU  HG-          89 GLU  HN          3.50    (#    931:15  Unique         1.80, 2.97 A)
 &rst
  ixpk= 931, nxpk= 15, iat=  -1,1291, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1298,1299,
 &end
#
#    0 AMB  15-2:932    102 GLU  HN          3.50    (#    932:15  Single Ambig)
 &rst
  ixpk= 932, nxpk= 15, iat=  -1,1518, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1522,1523,1503,1504,
 &end
#
#   94 GLU  HA           94 GLU  HN          2.80    (#    933:15  Unique         2.79, 2.83 A)
 &rst
  ixpk= 933, nxpk= 15, iat=1379,1377, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   94 GLU  HN           75 VAL  HN          5.50    (#    936:15  Unique         5.09, 5.52 A)
 &rst
  ixpk= 936, nxpk= 15, iat=1377,1098, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   21 PHE  HA           22 ALA  HN          5.50    (#    937:15  Unique         3.53, 3.58 A)
 &rst
  ixpk= 937, nxpk= 15, iat= 329, 347, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  119 VAL  HA          120 LYS  HN          5.50    (#    938:15  Unique         3.58, 3.64 A)
 &rst
  ixpk= 938, nxpk= 15, iat=1780,1794, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  123 VAL  HN          121 GLU  HN          5.50    (#    939:15  Unique         4.27, 4.33 A)
 &rst
  ixpk= 939, nxpk= 15, iat=1855,1816, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  119 VAL  HN          121 GLU  HN          5.50    (#    940:15  Unique         4.49, 4.66 A)
 &rst
  ixpk= 940, nxpk= 15, iat=1778,1816, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:943    103 ASP  HN          4.50    (#    943:15  Single Ambig)
 &rst
  ixpk= 943, nxpk= 15, iat=  -1,1533, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1525,1526,1585,1586,
 &end
#
#  103 ASP  HA          103 ASP  HN          2.80    (#    944:15  Unique         2.18, 2.62 A)
 &rst
  ixpk= 944, nxpk= 15, iat=1535,1533, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    5 MET  HA            6 PHE  HN          2.80    (#    947:15  Unique         2.19, 2.25 A)
 &rst
  ixpk= 947, nxpk= 15, iat=  83,  98, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    7 VAL  MGX           6 PHE  HN          3.50    (#    950:15  Unique         2.57, 5.46 A)
 &rst
  ixpk= 950, nxpk= 15, iat=  -1,  98, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 124, 125, 126, 128, 129, 130,
 &end
#
#  113 ARG  HG-         113 ARG  HE          5.50    (#    951:15  Unique         2.30, 2.51 A)
 &rst
  ixpk= 951, nxpk= 15, iat=  -1,1689, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1683,1684,
 &end
#
#  113 ARG  HB+         113 ARG  HE          5.50    (#    952:15  Unique         4.31, 4.45 A)
 &rst
  ixpk= 952, nxpk= 15, iat=  -1,1689, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1680,1681,
 &end
#
#  113 ARG  HG+         113 ARG  HE          5.50    (#    953:15  Unique         2.30, 2.51 A)
 &rst
  ixpk= 953, nxpk= 15, iat=  -1,1689, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1683,1684,
 &end
#
#  113 ARG  HD+         113 ARG  HE          4.50    (#    954:15  Unique         2.71, 2.83 A)
 &rst
  ixpk= 954, nxpk= 15, iat=  -1,1689, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1686,1687,
 &end
#
#   78 SER  HB+          78 SER  HN          3.50    (#    957:15  Unique         2.34, 3.08 A)
 &rst
  ixpk= 957, nxpk= 15, iat=  -1,1149, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1153,1154,
 &end
#
#   77 ILE  QG2          78 SER  HN          4.50    (#    958:15  Unique         2.53, 3.59 A)
 &rst
  ixpk= 958, nxpk= 15, iat=  -1,1149, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1136,1137,1138,
 &end
#
#   77 ILE  HA           78 SER  HN          2.80    (#    959:15  Unique         2.17, 2.25 A)
 &rst
  ixpk= 959, nxpk= 15, iat=1132,1149, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   84 VAL  MGY          82 SER  HN          3.50    (#    964:15  Unique         2.38, 4.33 A)
 &rst
  ixpk= 964, nxpk= 15, iat=  -1,1196, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1220,1221,1222,1224,1225,1226,
 &end
#
#   84 VAL  HB           82 SER  HN          5.50    (#    965:15  Unique         2.91, 5.29 A)
 &rst
  ixpk= 965, nxpk= 15, iat=1218,1196, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   82 SER  HB+          82 SER  HN          5.50    (#    966:15  Unique         2.55, 3.41 A)
 &rst
  ixpk= 966, nxpk= 15, iat=  -1,1196, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1200,1201,
 &end
#
#    0 AMB  15-2:971      6 PHE  HN          5.50    (#    971:15  Single Ambig)
 &rst
  ixpk= 971, nxpk= 15, iat=  -1,  98, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 528,1130,
 &end
#
#   21 PHE  HB+          21 PHE  HN          3.50    (#    975:15  Unique         2.17, 2.93 A)
 &rst
  ixpk= 975, nxpk= 15, iat=  -1, 327, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 331, 332,
 &end
#
#  125 ASN  HB+         126 LEU  HN          3.50    (#    976:15  Unique         2.54, 3.31 A)
 &rst
  ixpk= 976, nxpk= 15, iat=  -1,1900, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1890,1891,
 &end
#
#    0 AMB  15-2:978    101 LEU  HN          4.50    (#    978:15  Single Ambig)
 &rst
  ixpk= 978, nxpk= 15, iat=  -1,1499, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1486,1487,1486,1487,
 &end
#
#   65 ILE  QD1          90 TRP  HE1         5.50    (#    979:15  Unique         3.58, 5.26 A)
 &rst
  ixpk= 979, nxpk= 15, iat=  -1,1316, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 962, 963, 964,
 &end
#
#   53 VAL  MGY          52 GLU  HN          5.50    (#    982:15  Unique         3.62, 5.75 A)
 &rst
  ixpk= 982, nxpk= 15, iat=  -1, 775, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 796, 797, 798, 800, 801, 802,
 &end
#
#    0 AMB  15-2:983     21 PHE  HN          5.50    (#    983:15  Single Ambig)
 &rst
  ixpk= 983, nxpk= 15, iat=  -1, 327, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1= 364, 365, 351, 352, 353,
 &end
#
#   61 THR  MG2          62 SER  HN          3.50    (#    984:15  Unique         2.12, 3.86 A)
 &rst
  ixpk= 984, nxpk= 15, iat=  -1, 912, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 904, 905, 906,
 &end
#
#   29 LYS  HB-          29 LYS  HN          3.50    (#    985:15  Unique         2.71, 3.41 A)
 &rst
  ixpk= 985, nxpk= 15, iat=  -1, 436, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 440, 441,
 &end
#
#   29 LYS  HG+          29 LYS  HN          3.50    (#    986:15  Unique         2.04, 2.99 A)
 &rst
  ixpk= 986, nxpk= 15, iat=  -1, 436, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 443, 444,
 &end
#
#   30 ILE  HG1+         29 LYS  HN          5.50    (#    987:15  Unique         3.59, 4.50 A)
 &rst
  ixpk= 987, nxpk= 15, iat=  -1, 436, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 468, 469,
 &end
#
#   30 ILE  QG2          29 LYS  HN          5.50    (#    988:15  Unique         4.59, 5.61 A)
 &rst
  ixpk= 988, nxpk= 15, iat=  -1, 436, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 464, 465, 466,
 &end
#
#    0 AMB  15-2:989     29 LYS  HN          3.50    (#    989:15  Single Ambig)
 &rst
  ixpk= 989, nxpk= 15, iat=  -1, 436, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
 igr1= 440, 441,  15,  16,  17,
 &end
#
#   78 SER  HB-          78 SER  HN          4.50    (#    991:15  Unique         2.34, 3.08 A)
 &rst
  ixpk= 991, nxpk= 15, iat=  -1,1149, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1153,1154,
 &end
#
#   86 LEU  MDX          86 LEU  HN          5.50    (#    992:15  Unique         2.20, 4.87 A)
 &rst
  ixpk= 992, nxpk= 15, iat=  -1,1244, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1253,1254,1255,1257,1258,1259,
 &end
#
#    0 AMB  15-2:994     24 THR  HN          5.50    (#    994:15  Single Ambig)
 &rst
  ixpk= 994, nxpk= 15, iat=  -1, 379, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 823, 824, 493, 494, 495, 497, 498, 499,
 &end
#
#   24 THR  MG2          24 THR  HN          3.50    (#    995:15  Unique         3.97, 4.30 A)
 &rst
  ixpk= 995, nxpk= 15, iat=  -1, 379, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 385, 386, 387,
 &end
#
#   23 LYS  HG+          24 THR  HN          3.50    (#    996:15  Unique         2.34, 3.34 A)
 &rst
  ixpk= 996, nxpk= 15, iat=  -1, 379, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 364, 365,
 &end
#
#   23 LYS  HB-          24 THR  HN          4.50    (#    997:15  Unique         2.27, 3.80 A)
 &rst
  ixpk= 997, nxpk= 15, iat=  -1, 379, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 361, 362,
 &end
#
#   23 LYS  HB+          24 THR  HN          4.50    (#    998:15  Unique         2.27, 3.80 A)
 &rst
  ixpk= 998, nxpk= 15, iat=  -1, 379, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 361, 362,
 &end
#
#   55 ILE  QD1          24 THR  HN          5.50    (#    999:15  Unique         3.69, 4.51 A)
 &rst
  ixpk= 999, nxpk= 15, iat=  -1, 379, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 826, 827, 828,
 &end
#
#    0 AMB  15-2:1000     0 AMB  15-1:1000   5.50    (#   1000:15  Double Ambig)
 &rst
  ixpk= 1000, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 916, 917, 100,
 igr2= 923,1130,
 &end
#
#   23 LYS  HG-          24 THR  HN          4.50    (#   1001:15  Unique         2.34, 3.34 A)
 &rst
  ixpk= 1001, nxpk= 15, iat=  -1, 379, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 364, 365,
 &end
#
#   42 VAL  MGX          11 ASN  HD2+        4.50    (#   1002:15  Unique         2.27, 5.09 A)
 &rst
  ixpk= 1002, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 632, 633, 634, 636, 637, 638,
 igr2= 199, 200,
 &end
#
#   42 VAL  MGY          11 ASN  HD2-        5.50    (#   1003:15  Unique         2.27, 5.09 A)
 &rst
  ixpk= 1003, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 632, 633, 634, 636, 637, 638,
 igr2= 199, 200,
 &end
#
#   42 VAL  HB           11 ASN  HD2+        5.50    (#   1004:15  Unique         2.89, 5.14 A)
 &rst
  ixpk= 1004, nxpk= 15, iat= 630,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 199, 200,
 &end
#
#   11 ASN  HB+          11 ASN  HD2+        3.50    (#   1006:15  Unique         2.22, 3.40 A)
 &rst
  ixpk= 1006, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 194, 195,
 igr2= 199, 200,
 &end
#
#   11 ASN  HB+          11 ASN  HD2-        5.50    (#   1008:15  Unique         2.22, 3.40 A)
 &rst
  ixpk= 1008, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 194, 195,
 igr2= 199, 200,
 &end
#
#    0 AMB  15-2:1012    75 VAL  HN          5.50    (#   1012:15  Single Ambig)
 &rst
  ixpk= 1012, nxpk= 15, iat=  -1,1098, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1120,1121,1122,1124,1125,1126,  50,  51,
 &end
#
#   23 LYS  HB-          23 LYS  HN          3.50    (#   1013:15  Unique         1.97, 2.89 A)
 &rst
  ixpk= 1013, nxpk= 15, iat=  -1, 357, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 361, 362,
 &end
#
#   70 ALA  HA           71 ASP  HN          3.50    (#   1015:15  Unique         2.22, 3.39 A)
 &rst
  ixpk= 1015, nxpk= 15, iat=1033,1041, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   52 GLU  HG-          52 GLU  HN          3.50    (#   1016:15  Unique         1.85, 2.46 A)
 &rst
  ixpk= 1016, nxpk= 15, iat=  -1, 775, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 782, 783,
 &end
#
#    0 AMB  15-2:1017    52 GLU  HN          5.50    (#   1017:15  Single Ambig)
 &rst
  ixpk= 1017, nxpk= 15, iat=  -1, 775, r1= 0.00, r2= 1.80, r3= 7.61, r4= 8.36,
 igr1= 747, 748, 737, 738, 739,1737,1738,
 &end
#
#  124 GLU  HB-         124 GLU  HN          3.50    (#   1019:15  Unique         2.31, 2.96 A)
 &rst
  ixpk= 1019, nxpk= 15, iat=  -1,1871, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1875,1876,
 &end
#
#   61 THR  HB           62 SER  HN          3.50    (#    502:15  Double Ambig)
 &rst
  ixpk= 502, nxpk= 15, iat= 902, 912, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  125 ASN  HN          125 ASN  HD2+        4.50    (#    819:15  Double Ambig)
 &rst
  ixpk= 819, nxpk= 15, iat=1886,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1895,1896,
 &end
#
#  127 ILE  HA          131 SER  HN          4.50    (#    864:15  Double Ambig)
 &rst
  ixpk= 864, nxpk= 15, iat=1921,1989, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:865    131 SER  HN          5.50    (#    865:15  Double Ambig)
 &rst
  ixpk= 865, nxpk= 15, iat=  -1,1989, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1952,1953,1952,1953,
 &end
#
#  130 ILE  HG1-        131 SER  HN          3.50    (#    866:15  Double Ambig)
 &rst
  ixpk= 866, nxpk= 15, iat=  -1,1989, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1980,1981,
 &end
#
#    0 AMB  15-2:868    131 SER  HN          4.50    (#    868:15  Double Ambig)
 &rst
  ixpk= 868, nxpk= 15, iat=  -1,1989, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 464, 465, 466,1405,1406,1407,1104,1105,1106,1108,
      1109,1110,
 &end
#
#   97 GLU  HB-          97 GLU  HN          4.50    (#    927:15  Double Ambig)
 &rst
  ixpk= 927, nxpk= 15, iat=  -1,1431, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1435,1436,
 &end
#
#   77 ILE  HG1-          6 PHE  HN          5.50    (#    949:15  Single Ambig)
 &rst
  ixpk= 949, nxpk= 15, iat=  -1,  98, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1140,1141,
 &end
#
#   88 PRO  HA           90 TRP  HN          3.50    (#   1021:15  Unique         2.87, 2.91 A )
 &rst
  ixpk= 1021, nxpk= 15, iat=1287,1306, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   88 PRO  HA           91 VAL  HN          3.50    (#   1022:15  Single Ambig)
 &rst
  ixpk= 1022, nxpk= 15, iat=1287,1330, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   91 VAL  HA           91 VAL  HN          3.50    (#   1023:15  Single Ambig)
 &rst
  ixpk= 1023, nxpk= 15, iat=1332,1330, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   66 GLU  HN           65 ILE  HN          3.50    (#   1024:15  Single Ambig)
 &rst
  ixpk= 1024, nxpk= 15, iat= 968, 949, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   72 ASP  HN           71 ASP  HN          2.80    (#   1025:15  Single Ambig)
 &rst
  ixpk= 1025, nxpk= 15, iat=1053,1041, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   73 TYR  HN           71 ASP  HN          4.50    (#   1026:15  Single Ambig)
 &rst
  ixpk= 1026, nxpk= 15, iat=1065,1041, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   71 ASP  HN           72 ASP  HN          2.80    (#   1027:15  Single Ambig)
 &rst
  ixpk= 1027, nxpk= 15, iat=1041,1053, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   52 GLU  HN           50 MET  HN          3.50    (#   1030:15  Unique         2.50, 2.58 A)
 &rst
  ixpk= 1030, nxpk= 15, iat= 775, 743, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   50 MET  HB+          51 GLU  HN          4.50    (#   1031:15  Unique         2.96, 3.68 A)
 &rst
  ixpk= 1031, nxpk= 15, iat=  -1, 760, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 747, 748,
 &end
#
#   51 GLU  HB+          52 GLU  HN          4.50    (#   1032:15  Single Ambig)
 &rst
  ixpk= 1032, nxpk= 15, iat=  -1, 775, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 764, 765,
 &end
#
#   51 GLU  HB-          52 GLU  HN          4.50    (#   1033:15  Single Ambig)
 &rst
  ixpk= 1033, nxpk= 15, iat=  -1, 775, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 764, 765,
 &end
#
#   52 GLU  HB-          53 VAL  HN          4.50    (#   1034:15  Unique         2.50, 3.79 A)
 &rst
  ixpk= 1034, nxpk= 15, iat=  -1, 790, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 779, 780,
 &end
#
#   51 GLU  HA           53 VAL  HN          4.50    (#   1035:15  Unique         3.83, 4.02 A)
 &rst
  ixpk= 1035, nxpk= 15, iat= 762, 790, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   49 MET  HA           50 MET  HN          5.50    (#   1036:15  Unique         3.54, 3.57 A)
 &rst
  ixpk= 1036, nxpk= 15, iat= 728, 743, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   71 ASP  HA           72 ASP  HN          3.50    (#   1037:15  Unique         3.51, 3.53 A)
 &rst
  ixpk= 1037, nxpk= 15, iat=1043,1053, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   72 ASP  HA           73 TYR  HN          3.50    (#   1038:15  Single Ambig)
 &rst
  ixpk= 1038, nxpk= 15, iat=1055,1065, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   71 ASP  HA           73 TYR  HN          4.50    (#   1039:15  Single Ambig)
 &rst
  ixpk= 1039, nxpk= 15, iat=1043,1065, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   90 TRP  HA           91 VAL  HN          3.50    (#    617:15  Single Ambig)
 &rst
  ixpk= 617, nxpk= 15, iat=1308,1330, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   53 VAL  HN           51 GLU  HN          5.50    (#    411:15  Unique         2.35, 2.46 A)
 &rst
  ixpk= 411, nxpk= 15, iat= 790, 760, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   52 GLU  HB+          52 GLU  HN          4.50    (#    129:15  Single Ambig)
 &rst
  ixpk= 129, nxpk= 15, iat=  -1, 775, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 779, 780,
 &end
#
#    0 AMB  15-2:918     31 ALA  HN          5.50    (#    918:15   2.89   4.95)
 &rst
  ixpk= 918, nxpk= 15, iat=  -1, 477, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1=   8,   9,  15,  16,  17,
 &end
#
#   35 SER  HN           34 SER  HN          4.50    (#   1040:15  Single Ambig)
 &rst
  ixpk= 1040, nxpk= 15, iat= 528, 517, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   36 GLY  HA+          37 LEU  HN          3.50    (#   1041:15  Unique         2.30, 2.59 A)
 &rst
  ixpk= 1041, nxpk= 15, iat=  -1, 546, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 541, 542,
 &end
#
#   38 GLU  HB+          37 LEU  HN          4.50    (#   1042:15  Unique         2.30, 2.59 A)
 &rst
  ixpk= 1042, nxpk= 15, iat=  -1, 546, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 569, 570,
 &end
#
#   38 GLU  HB-          37 LEU  HN          4.50    (#   1043:15  Unique         2.30, 2.59 A)
 &rst
  ixpk= 1043, nxpk= 15, iat=  -1, 546, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 569, 570,
 &end
#
#   41 ARG  HB+          41 ARG  HN          5.50    (#   1045:15  Unique         2.30, 2.59 A)
 &rst
  ixpk= 1045, nxpk= 15, iat=  -1, 602, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 606, 607,
 &end
#
#   41 ARG  HB-          41 ARG  HN          5.50    (#   1046:15  Unique         2.30, 2.59 A)
 &rst
  ixpk= 1046, nxpk= 15, iat=  -1, 602, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 606, 607,
 &end
#
#   41 ARG  HG+          41 ARG  HN          5.50    (#   1047:15  Unique         2.30, 2.59 A)
 &rst
  ixpk= 1047, nxpk= 15, iat=  -1, 602, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 609, 610,
 &end
#
#   41 ARG  HG-          41 ARG  HN          5.50    (#   1048:15  Unique         2.30, 2.59 A)
 &rst
  ixpk= 1048, nxpk= 15, iat=  -1, 602, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 609, 610,
 &end
#
#   42 VAL  MGY          42 VAL  HN          3.50    (#   1049:15  Unique         1.83, 3.14 A)
 &rst
  ixpk= 1049, nxpk= 15, iat=  -1, 626, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 632, 633, 634, 636, 637, 638,
 &end
#
#   41 ARG  HN           42 VAL  HN          4.50    (#   1050:15  Unique         1.83, 3.14 A)
 &rst
  ixpk= 1050, nxpk= 15, iat= 602, 626, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   42 VAL  HN           41 ARG  HN          4.50    (#   1051:15  Unique         1.83, 3.14 A)
 &rst
  ixpk= 1051, nxpk= 15, iat= 626, 602, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   86 LEU  MDY          86 LEU  HN          5.50    (#   1052:15  Unique         2.20, 4.87 A)
 &rst
  ixpk= 1052, nxpk= 15, iat=  -1,1244, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1253,1254,1255,1257,1258,1259,
 &end
#
#   79 LEU  HG           79 LEU  HN          3.50    (#    576:15  Double Ambig)
 &rst
  ixpk= 576, nxpk= 15, iat=1167,1160, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   77 ILE  HG1-         77 ILE  HN          3.50    (#   1053:15  Double Ambig)
 &rst
  ixpk= 1053, nxpk= 15, iat=  -1,1130, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1140,1141,
 &end
#
#   98 ASP  HA           78 SER  HN          4.50    (#    960:15  Single Ambig)
 &rst
  ixpk= 960, nxpk= 15, iat=1448,1149, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   78 SER  HA           78 SER  HN          4.50    (#   1054:15  Single Ambig)
 &rst
  ixpk= 1054, nxpk= 15, iat=1151,1149, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   60 GLN  HG+          60 GLN  HN          3.50    (#   1055:15  Unique         2.33, 2.83 A)
 &rst
  ixpk= 1055, nxpk= 15, iat=  -1, 881, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 888, 889,
 &end
#
#   59 GLY  HA+          60 GLN  HN          3.50    (#   1056:15  Unique         2.70, 3.33 A)
 &rst
  ixpk= 1056, nxpk= 15, iat=  -1, 881, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 876, 877,
 &end
#
#   57 ILE  HA           60 GLN  HN          5.50    (#    484:15  Single Ambig)
 &rst
  ixpk= 484, nxpk= 15, iat= 846, 881, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   61 THR  HA           60 GLN  HN          5.50    (#   1057:15  Single Ambig)
 &rst
  ixpk= 1057, nxpk= 15, iat= 900, 881, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   62 SER  HB+          62 SER  HN          3.50    (#   1058:15  Unique         2.34, 3.65 A)
 &rst
  ixpk= 1058, nxpk= 15, iat=  -1, 912, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 916, 917,
 &end
#
#   78 SER  HA           79 LEU  HN          3.50    (#    993:15  Double Ambig)
 &rst
  ixpk= 993, nxpk= 15, iat=1151,1160, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   63 ASP  HA           63 ASP  HN          3.50    (#   1059:15  Double Ambig)
 &rst
  ixpk= 1059, nxpk= 15, iat= 925, 923, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   11 ASN  HB-          11 ASN  HD2+        3.50    (#   1005:15  Double Ambig)
 &rst
  ixpk= 1005, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 194, 195,
 igr2= 199, 200,
 &end
#
#   11 ASN  HB-          11 ASN  HD2-        5.50    (#   1007:15  Single Ambig)
 &rst
  ixpk= 1007, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 194, 195,
 igr2= 199, 200,
 &end
#
#  124 GLU  HA          127 ILE  HN          3.50    (#    501:15  Double Ambig)
 &rst
  ixpk= 501, nxpk= 15, iat=1873,1919, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   36 GLY  HA-          36 GLY  HN          3.50    (#    340:15  Single Ambig)
 &rst
  ixpk= 340, nxpk= 15, iat=  -1, 539, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 541, 542,
 &end
#
#   92 THR  HB           92 THR  HN          3.50    (#    626:15  Single Ambig)
 &rst
  ixpk= 626, nxpk= 15, iat=1350,1346, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   92 THR  HA           92 THR  HN          3.50    (#   1060:15  Single Ambig)
 &rst
  ixpk= 1060, nxpk= 15, iat=1348,1346, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   91 VAL  HA           92 THR  HN          4.50    (#    625:15  Single Ambig)
 &rst
  ixpk= 625, nxpk= 15, iat=1332,1346, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   90 TRP  HA           92 THR  HN          4.50    (#   1061:15  Single Ambig)
 &rst
  ixpk= 1061, nxpk= 15, iat=1308,1346, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   88 PRO  HA           92 THR  HN          4.50    (#   1062:15  Single Ambig)
 &rst
  ixpk= 1062, nxpk= 15, iat=1287,1346, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   39 SER  HA           40 SER  HN          3.50    (#    121:15  Double Ambig)
 &rst
  ixpk= 121, nxpk= 15, iat= 582, 591, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  108 SER  HB-         110 GLU  HN          3.50    (#   1063:15  Double Ambig)
 &rst
  ixpk= 1063, nxpk= 15, iat=  -1,1625, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1599,1600,
 &end
#
#   69 ASN  HA           69 ASN  HN          2.80    (#   1065:15  Unique         2.91, 2.95 A)
 &rst
  ixpk= 1065, nxpk= 15, iat=1019,1017, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   42 VAL  HA           11 ASN  HD2+        3.50    (#   1009:15  Double Ambig)
 &rst
  ixpk= 1009, nxpk= 15, iat= 628,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 199, 200,
 &end
#
#   42 VAL  HA           11 ASN  HD2-        3.50    (#   1011:15  Single Ambig)
 &rst
  ixpk= 1011, nxpk= 15, iat= 628,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 199, 200,
 &end
#
#   67 ASN  HN           65 ILE  HN          5.50    (#   1066:15  Unique         2.63, 3.46 A)
 &rst
  ixpk= 1066, nxpk= 15, iat= 983, 949, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   32 VAL  HA           34 SER  HN          5.50    (#    328:15  Single Ambig)
 &rst
  ixpk= 328, nxpk= 15, iat= 489, 517, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   35 SER  HA           34 SER  HN          5.50    (#   1067:15  Single Ambig)
 &rst
  ixpk= 1067, nxpk= 15, iat= 530, 517, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   33 THR  HB           34 SER  HN          4.50    (#    330:15  Single Ambig)
 &rst
  ixpk= 330, nxpk= 15, iat= 507, 517, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   34 SER  HB-          34 SER  HN          3.50    (#   1068:15  Single Ambig)
 &rst
  ixpk= 1068, nxpk= 15, iat=  -1, 517, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 521, 522,
 &end
#
#   34 SER  HB-          35 SER  HN          4.50    (#    333:15  Single Ambig)
 &rst
  ixpk= 333, nxpk= 15, iat=  -1, 528, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 521, 522,
 &end
#
#   33 THR  HB           35 SER  HN          4.50    (#   1069:15  Single Ambig)
 &rst
  ixpk= 1069, nxpk= 15, iat= 507, 528, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   35 SER  HN           36 GLY  HN          5.50    (#   1070:15  Unique         2.63, 3.46 A)
 &rst
  ixpk= 1070, nxpk= 15, iat= 528, 539, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   37 LEU  MDX          37 LEU  HN          3.50    (#    630:15  Single Ambig)
 &rst
  ixpk= 630, nxpk= 15, iat=  -1, 546, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 555, 556, 557, 559, 560, 561,
 &end
#
#   37 LEU  MDY          37 LEU  HN          3.50    (#   1071:15  Single Ambig)
 &rst
  ixpk= 1071, nxpk= 15, iat=  -1, 546, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 555, 556, 557, 559, 560, 561,
 &end
#
#   37 LEU  HB-          37 LEU  HN          3.50    (#    632:15  Double Ambig)
 &rst
  ixpk= 632, nxpk= 15, iat=  -1, 546, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 550, 551,
 &end
#
#   93 GLN  HB-          93 GLN  HN          3.50    (#   1072:15  Double Ambig)
 &rst
  ixpk= 1072, nxpk= 15, iat=  -1,1360, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1364,1365,
 &end
#
#   65 ILE  HN           36 GLY  HN          4.50    (#    337:15  Unique         2.63, 3.46 A)
 &rst
  ixpk= 337, nxpk= 15, iat= 949, 539, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   65 ILE  HB           36 GLY  HN          5.50    (#    901:15  Unique         2.22, 3.87 A)
 &rst
  ixpk= 901, nxpk= 15, iat= 953, 539, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   47 ILE  QG2          58 SER  HN          3.50    (#    467:15  Single Ambig)
 &rst
  ixpk= 467, nxpk= 15, iat=  -1, 863, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 703, 704, 705,
 &end
#
#   47 ILE  QD1          58 SER  HN          3.50    (#   1073:15  Single Ambig)
 &rst
  ixpk= 1073, nxpk= 15, iat=  -1, 863, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 710, 711, 712,
 &end
#
#   47 ILE  HG1-         58 SER  HN          5.50    (#   1074:15  Single Ambig)
 &rst
  ixpk= 1074, nxpk= 15, iat=  -1, 863, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 707, 708,
 &end
#
#   47 ILE  HA           58 SER  HN          5.50    (#   1075:15  Single Ambig)
 &rst
  ixpk= 1075, nxpk= 15, iat= 699, 863, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   47 ILE  HB           58 SER  HN          5.50    (#   1076:15  Single Ambig)
 &rst
  ixpk= 1076, nxpk= 15, iat= 701, 863, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   46 ALA  MB           58 SER  HN          5.50    (#   1077:15  Single Ambig)
 &rst
  ixpk= 1077, nxpk= 15, iat=  -1, 863, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 691, 692, 693,
 &end
#
#   11 ASN  HA           40 SER  HN          5.50    (#   1079:15  Unique         2.78, 2.88 A)
 &rst
  ixpk= 1079, nxpk= 15, iat= 192, 591, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   41 ARG  HB-          40 SER  HN          5.50    (#    358:15  Double Ambig)
 &rst
  ixpk= 358, nxpk= 15, iat=  -1, 591, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 606, 607,
 &end
#
#  109 LEU  HB+         110 GLU  HN          3.50    (#   1081:15  Double Ambig)
 &rst
  ixpk= 1081, nxpk= 15, iat=  -1,1625, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1610,1611,
 &end
#
#   11 ASN  HB-          40 SER  HN          3.50    (#    359:15  Double Ambig)
 &rst
  ixpk= 359, nxpk= 15, iat=  -1, 591, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 194, 195,
 &end
#
#  110 GLU  HG+         110 GLU  HN          4.50    (#   1080:15  Double Ambig)
 &rst
  ixpk= 1080, nxpk= 15, iat=  -1,1625, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1632,1633,
 &end
#
#   11 ASN  HB+          41 ARG  HN          4.50    (#   1082:15  Double Ambig)
 &rst
  ixpk= 1082, nxpk= 15, iat=  -1, 602, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 194, 195,
 &end
#
#   11 ASN  HB-          41 ARG  HN          4.50    (#   1083:15  Double Ambig)
 &rst
  ixpk= 1083, nxpk= 15, iat=  -1, 602, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 194, 195,
 &end
#
#   42 VAL  HB           11 ASN  HD2-        5.50    (#   1084:15  Unique         2.89, 5.14 A)
 &rst
  ixpk= 1084, nxpk= 15, iat= 630,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 199, 200,
 &end
#
#  118 GLN  HA          119 VAL  HN          3.50    (#   1085:15  Unique         3.18, 3.41 A)
 &rst
  ixpk= 1085, nxpk= 15, iat=1763,1778, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   11 ASN  HA           60 GLN  HE2+        5.50    (#   1086:15  Unique         2.39, 5.76 A)
 &rst
  ixpk= 1086, nxpk= 15, iat= 192,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 893, 894,
 &end
#
#   11 ASN  HA           60 GLN  HE2-        5.50    (#   1087:15  Unique         2.39, 5.76 A)
 &rst
  ixpk= 1087, nxpk= 15, iat= 192,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 893, 894,
 &end
REMARK                                                              
ATOM      1  N   MET     1       1.329   0.000   0.000
ATOM      2  HN  MET     1       0.450  -0.485  -0.143
ATOM      3  H2  MET     1       1.860  -0.471   0.724
ATOM      4  H3  MET     1       1.145   0.956   0.283
ATOM      5  CA  MET     1       2.093  -0.001  -1.242
ATOM      6  HA  MET     1       1.513   0.485  -1.998
ATOM      7  CB  MET     1       3.402   0.771  -1.062
ATOM      8 2HB  MET     1       3.349   1.318  -0.140
ATOM      9 3HB  MET     1       4.208   0.065  -1.013
ATOM     10  CG  MET     1       3.689   1.751  -2.187
ATOM     11 2HG  MET     1       4.540   1.401  -2.739
ATOM     12 3HG  MET     1       2.835   1.790  -2.835
ATOM     13  SD  MET     1       4.035   3.416  -1.587
ATOM     14  CE  MET     1       5.322   3.925  -2.724
ATOM     15 1HE  MET     1       6.179   3.239  -2.639
ATOM     16 2HE  MET     1       4.933   3.900  -3.754
ATOM     17 3HE  MET     1       5.645   4.949  -2.478
ATOM     18  C   MET     1       2.388  -1.426  -1.698
ATOM     19  O   MET     1       2.643  -2.310  -0.880
ATOM     20  N   LYS     2       2.351  -1.643  -3.009
ATOM     21  HN  LYS     2       2.134  -0.876  -3.629
ATOM     22  CA  LYS     2       2.616  -2.961  -3.574
ATOM     23  HA  LYS     2       2.243  -3.703  -2.899
ATOM     24  CB  LYS     2       1.896  -3.116  -4.916
ATOM     25 2HB  LYS     2       2.508  -2.679  -5.682
ATOM     26 3HB  LYS     2       1.769  -4.163  -5.114
ATOM     27  CG  LYS     2       0.531  -2.451  -4.955
ATOM     28 2HG  LYS     2      -0.127  -2.966  -4.282
ATOM     29 3HG  LYS     2       0.632  -1.429  -4.644
ATOM     30  CD  LYS     2      -0.066  -2.485  -6.352
ATOM     31 2HD  LYS     2       0.729  -2.542  -7.070
ATOM     32 3HD  LYS     2      -0.693  -3.351  -6.443
ATOM     33  CE  LYS     2      -0.897  -1.242  -6.633
ATOM     34 2HE  LYS     2      -0.238  -0.432  -6.880
ATOM     35 3HE  LYS     2      -1.547  -1.439  -7.464
ATOM     36  NZ  LYS     2      -1.723  -0.850  -5.457
ATOM     37 1HZ  LYS     2      -2.354  -1.607  -5.220
ATOM     38 2HZ  LYS     2      -1.117  -0.655  -4.668
ATOM     39 3HZ  LYS     2      -2.260  -0.020  -5.683
ATOM     40  C   LYS     2       4.113  -3.183  -3.760
ATOM     41  O   LYS     2       4.809  -2.346  -4.336
ATOM     42  N   LYS     3       4.604  -4.316  -3.269
ATOM     43  HN  LYS     3       3.982  -4.962  -2.805
ATOM     44  CA  LYS     3       6.019  -4.650  -3.383
ATOM     45  HA  LYS     3       6.593  -3.763  -3.215
ATOM     46  CB  LYS     3       6.405  -5.688  -2.327
ATOM     47 2HB  LYS     3       5.523  -5.958  -1.778
ATOM     48 3HB  LYS     3       6.793  -6.554  -2.828
ATOM     49  CG  LYS     3       7.451  -5.193  -1.343
ATOM     50 2HG  LYS     3       8.415  -5.553  -1.648
ATOM     51 3HG  LYS     3       7.453  -4.120  -1.346
ATOM     52  CD  LYS     3       7.165  -5.682   0.067
ATOM     53 2HD  LYS     3       6.379  -6.411   0.030
ATOM     54 3HD  LYS     3       8.053  -6.133   0.467
ATOM     55  CE  LYS     3       6.738  -4.540   0.977
ATOM     56 2HE  LYS     3       6.659  -3.643   0.394
ATOM     57 3HE  LYS     3       5.782  -4.775   1.403
ATOM     58  NZ  LYS     3       7.714  -4.314   2.079
ATOM     59 1HZ  LYS     3       7.791  -5.155   2.640
ATOM     60 2HZ  LYS     3       8.620  -4.085   1.686
ATOM     61 3HZ  LYS     3       7.395  -3.548   2.661
ATOM     62  C   LYS     3       6.342  -5.182  -4.776
ATOM     63  O   LYS     3       5.882  -6.256  -5.163
ATOM     64  N   VAL     4       7.137  -4.424  -5.524
ATOM     65  HN  VAL     4       7.482  -3.552  -5.149
ATOM     66  CA  VAL     4       7.524  -4.821  -6.873
ATOM     67  HA  VAL     4       7.005  -5.723  -7.122
ATOM     68  CB  VAL     4       7.147  -3.742  -7.905
ATOM     69  HB  VAL     4       7.963  -3.054  -7.986
ATOM     70  CG1 VAL     4       6.914  -4.369  -9.271
ATOM     71 1HG1 VAL     4       7.833  -4.876  -9.604
ATOM     72 2HG1 VAL     4       6.094  -5.101  -9.204
ATOM     73 3HG1 VAL     4       6.646  -3.584  -9.994
ATOM     74  CG2 VAL     4       5.917  -2.973  -7.446
ATOM     75 1HG2 VAL     4       5.071  -3.669  -7.330
ATOM     76 2HG2 VAL     4       6.127  -2.487  -6.481
ATOM     77 3HG2 VAL     4       5.662  -2.207  -8.195
ATOM     78  C   VAL     4       9.022  -5.089  -6.958
ATOM     79  O   VAL     4       9.817  -4.453  -6.267
ATOM     80  N   MET     5       9.401  -6.034  -7.812
ATOM     81  HN  MET     5       8.700  -6.521  -8.351
ATOM     82  CA  MET     5      10.806  -6.385  -7.989
ATOM     83  HA  MET     5      11.405  -5.547  -7.701
ATOM     84  CB  MET     5      11.173  -7.574  -7.100
ATOM     85 2HB  MET     5      10.450  -8.351  -7.257
ATOM     86 3HB  MET     5      12.145  -7.926  -7.388
ATOM     87  CG  MET     5      11.203  -7.238  -5.618
ATOM     88 2HG  MET     5      10.827  -6.242  -5.484
ATOM     89 3HG  MET     5      10.573  -7.932  -5.095
ATOM     90  SD  MET     5      12.864  -7.327  -4.920
ATOM     91  CE  MET     5      12.670  -8.675  -3.757
ATOM     92 1HE  MET     5      11.896  -8.414  -3.019
ATOM     93 2HE  MET     5      12.370  -9.586  -4.298
ATOM     94 3HE  MET     5      13.625  -8.853  -3.239
ATOM     95  C   MET     5      11.103  -6.715  -9.448
ATOM     96  O   MET     5      10.222  -7.153 -10.188
ATOM     97  N   PHE     6      12.350  -6.502  -9.856
ATOM     98  HN  PHE     6      13.028  -6.142  -9.200
ATOM     99  CA  PHE     6      12.763  -6.776 -11.228
ATOM    100  HA  PHE     6      11.990  -7.336 -11.711
ATOM    101  CB  PHE     6      12.966  -5.467 -11.993
ATOM    102 2HB  PHE     6      13.501  -4.784 -11.362
ATOM    103 3HB  PHE     6      13.548  -5.673 -12.871
ATOM    104  CG  PHE     6      11.681  -4.815 -12.417
ATOM    105  CD1 PHE     6      11.171  -5.022 -13.689
ATOM    106  HD1 PHE     6      11.706  -5.660 -14.384
ATOM    107  CE1 PHE     6       9.988  -4.424 -14.082
ATOM    108  HE1 PHE     6       9.599  -4.595 -15.079
ATOM    109  CZ  PHE     6       9.303  -3.609 -13.203
ATOM    110  HZ  PHE     6       8.376  -3.138 -13.510
ATOM    111  CE2 PHE     6       9.800  -3.395 -11.932
ATOM    112  HE2 PHE     6       9.263  -2.757 -11.239
ATOM    113  CD2 PHE     6      10.983  -3.996 -11.545
ATOM    114  HD2 PHE     6      11.369  -3.824 -10.547
ATOM    115  C   PHE     6      14.048  -7.598 -11.255
ATOM    116  O   PHE     6      15.042  -7.199 -11.863
ATOM    117  N   VAL     7      14.021  -8.749 -10.590
ATOM    118  HN  VAL     7      13.175  -9.021 -10.110
ATOM    119  CA  VAL     7      15.183  -9.629 -10.537
ATOM    120  HA  VAL     7      15.858  -9.344 -11.317
ATOM    121  CB  VAL     7      15.918  -9.508  -9.189
ATOM    122  HB  VAL     7      16.140  -8.475  -9.019
ATOM    123  CG1 VAL     7      15.034  -9.999  -8.053
ATOM    124 1HG1 VAL     7      14.115  -9.393  -8.015
ATOM    125 2HG1 VAL     7      14.771 -11.054  -8.223
ATOM    126 3HG1 VAL     7      15.576  -9.905  -7.099
ATOM    127  CG2 VAL     7      17.229 -10.279  -9.226
ATOM    128 1HG2 VAL     7      17.024 -11.342  -9.428
ATOM    129 2HG2 VAL     7      17.872  -9.872 -10.022
ATOM    130 3HG2 VAL     7      17.740 -10.181  -8.256
ATOM    131  C   VAL     7      14.781 -11.083 -10.756
ATOM    132  O   VAL     7      13.762 -11.542 -10.239
ATOM    133  N   CYS     8      15.589 -11.805 -11.526
ATOM    134  HN  CYS     8      16.410 -11.370 -11.922
ATOM    135  CA  CYS     8      15.320 -13.208 -11.814
ATOM    136  HA  CYS     8      14.665 -13.591 -11.059
ATOM    137  CB  CYS     8      14.631 -13.348 -13.173
ATOM    138 2HB  CYS     8      13.707 -12.804 -13.140
ATOM    139 3HB  CYS     8      15.271 -12.921 -13.921
ATOM    140  SG  CYS     8      14.265 -15.069 -13.648
ATOM    141  C   CYS     8      16.609 -14.025 -11.798
ATOM    142  O   CYS     8      17.452 -13.893 -12.686
ATOM    143  N   LYS     9      16.755 -14.869 -10.782
ATOM    144  HN  LYS     9      16.027 -14.931 -10.084
ATOM    145  CA  LYS     9      17.940 -15.708 -10.650
ATOM    146  HA  LYS     9      17.747 -16.455  -9.909
ATOM    147  CB  LYS     9      18.247 -16.406 -11.977
ATOM    148 2HB  LYS     9      17.932 -17.429 -11.903
ATOM    149 3HB  LYS     9      17.692 -15.917 -12.754
ATOM    150  CG  LYS     9      19.719 -16.382 -12.350
ATOM    151 2HG  LYS     9      19.969 -15.406 -12.719
ATOM    152 3HG  LYS     9      20.304 -16.594 -11.476
ATOM    153  CD  LYS     9      20.040 -17.412 -13.420
ATOM    154 2HD  LYS     9      19.617 -18.356 -13.134
ATOM    155 3HD  LYS     9      19.609 -17.095 -14.350
ATOM    156  CE  LYS     9      21.541 -17.578 -13.602
ATOM    157 2HE  LYS     9      21.925 -16.719 -14.118
ATOM    158 3HE  LYS     9      22.002 -17.650 -12.636
ATOM    159  NZ  LYS     9      21.873 -18.800 -14.386
ATOM    160 1HZ  LYS     9      21.519 -19.618 -13.903
ATOM    161 2HZ  LYS     9      21.446 -18.739 -15.304
ATOM    162 3HZ  LYS     9      22.879 -18.875 -14.485
ATOM    163  C   LYS     9      19.144 -14.884 -10.206
ATOM    164  O   LYS     9      19.801 -15.210  -9.217
ATOM    165  N   ARG    10      19.428 -13.815 -10.943
ATOM    166  HN  ARG    10      18.850 -13.601 -11.743
ATOM    167  CA  ARG    10      20.553 -12.944 -10.625
ATOM    168  HA  ARG    10      20.586 -12.804  -9.565
ATOM    169  CB  ARG    10      21.866 -13.589 -11.072
ATOM    170 2HB  ARG    10      22.674 -13.106 -10.557
ATOM    171 3HB  ARG    10      21.842 -14.628 -10.805
ATOM    172  CG  ARG    10      22.118 -13.483 -12.567
ATOM    173 2HG  ARG    10      21.393 -14.081 -13.086
ATOM    174 3HG  ARG    10      22.016 -12.458 -12.866
ATOM    175  CD  ARG    10      23.512 -13.968 -12.933
ATOM    176 2HD  ARG    10      23.733 -13.661 -13.937
ATOM    177 3HD  ARG    10      24.221 -13.526 -12.259
ATOM    178  NE  ARG    10      23.625 -15.422 -12.849
ATOM    179  HE  ARG    10      22.940 -15.923 -12.301
ATOM    180  CZ  ARG    10      24.579 -16.121 -13.454
ATOM    181  NH1 ARG    10      25.499 -15.502 -14.182
ATOM    182 1HH1 ARG    10      25.475 -14.497 -14.278
ATOM    183 2HH1 ARG    10      26.224 -16.036 -14.640
ATOM    184  NH2 ARG    10      24.616 -17.442 -13.330
ATOM    185 1HH2 ARG    10      23.918 -17.917 -12.776
ATOM    186 2HH2 ARG    10      25.342 -17.972 -13.790
ATOM    187  C   ARG    10      20.390 -11.581 -11.290
ATOM    188  O   ARG    10      19.440 -11.353 -12.038
ATOM    189  N   ASN    11      21.324 -10.677 -11.013
ATOM    190  HN  ASN    11      22.080 -10.925 -10.391
ATOM    191  CA  ASN    11      21.284  -9.336 -11.584
ATOM    192  HA  ASN    11      20.301  -8.936 -11.446
ATOM    193  CB  ASN    11      22.285  -8.425 -10.870
ATOM    194 2HB  ASN    11      22.343  -8.718  -9.839
ATOM    195 3HB  ASN    11      23.247  -8.543 -11.330
ATOM    196  CG  ASN    11      21.888  -6.963 -10.939
ATOM    197  OD1 ASN    11      21.210  -6.450 -10.049
ATOM    198  ND2 ASN    11      22.310  -6.285 -12.000
ATOM    199 1HD2 ASN    11      22.076  -5.308 -12.100
ATOM    200 2HD2 ASN    11      22.865  -6.747 -12.707
ATOM    201  C   ASN    11      21.588  -9.371 -13.078
ATOM    202  O   ASN    11      20.921  -8.709 -13.874
ATOM    203  N   SER    12      22.599 -10.149 -13.453
ATOM    204  HN  SER    12      23.106 -10.670 -12.752
ATOM    205  CA  SER    12      22.993 -10.269 -14.851
ATOM    206  HA  SER    12      23.297  -9.305 -15.203
ATOM    207  CB  SER    12      24.173 -11.233 -14.989
ATOM    208 2HB  SER    12      25.053 -10.675 -15.247
ATOM    209 3HB  SER    12      24.328 -11.733 -14.053
ATOM    210  OG  SER    12      23.927 -12.200 -15.995
ATOM    211  HG  SER    12      24.680 -12.791 -16.062
ATOM    212  C   SER    12      21.825 -10.752 -15.706
ATOM    213  O   SER    12      21.820 -10.579 -16.925
ATOM    214  N   SER    13      20.836 -11.358 -15.057
ATOM    215  HN  SER    13      20.898 -11.466 -14.055
ATOM    216  CA  SER    13      19.664 -11.870 -15.757
ATOM    217  HA  SER    13      19.943 -12.758 -16.285
ATOM    218  CB  SER    13      18.561 -12.224 -14.757
ATOM    219 2HB  SER    13      17.778 -12.748 -15.270
ATOM    220 3HB  SER    13      18.971 -12.855 -13.992
ATOM    221  OG  SER    13      18.023 -11.059 -14.157
ATOM    222  HG  SER    13      17.335 -11.308 -13.536
ATOM    223  C   SER    13      19.143 -10.849 -16.764
ATOM    224  O   SER    13      19.062 -11.126 -17.960
ATOM    225  N   ARG    14      18.791  -9.666 -16.270
ATOM    226  HN  ARG    14      18.882  -9.500 -15.278
ATOM    227  CA  ARG    14      18.277  -8.603 -17.125
ATOM    228  HA  ARG    14      19.043  -8.321 -17.816
ATOM    229  CB  ARG    14      17.065  -9.098 -17.916
ATOM    230 2HB  ARG    14      16.755 -10.041 -17.508
ATOM    231 3HB  ARG    14      16.273  -8.383 -17.805
ATOM    232  CG  ARG    14      17.341  -9.284 -19.400
ATOM    233 2HG  ARG    14      18.168  -8.661 -19.682
ATOM    234 3HG  ARG    14      17.590 -10.312 -19.582
ATOM    235  CD  ARG    14      16.131  -8.911 -20.242
ATOM    236 2HD  ARG    14      15.814  -7.922 -19.974
ATOM    237 3HD  ARG    14      16.411  -8.928 -21.278
ATOM    238  NE  ARG    14      15.018  -9.834 -20.039
ATOM    239  HE  ARG    14      14.204  -9.499 -19.543
ATOM    240  CZ  ARG    14      15.016 -11.090 -20.470
ATOM    241  NH1 ARG    14      16.065 -11.571 -21.124
ATOM    242 1HH1 ARG    14      16.867 -10.982 -21.295
ATOM    243 2HH1 ARG    14      16.062 -12.527 -21.451
ATOM    244  NH2 ARG    14      13.965 -11.869 -20.247
ATOM    245 1HH2 ARG    14      13.164 -11.507 -19.749
ATOM    246 2HH2 ARG    14      13.966 -12.824 -20.575
ATOM    247  C   ARG    14      17.893  -7.379 -16.299
ATOM    248  O   ARG    14      16.916  -6.695 -16.602
ATOM    249  N   SER    15      18.669  -7.109 -15.254
ATOM    250  HN  SER    15      19.459  -7.708 -15.059
ATOM    251  CA  SER    15      18.409  -5.970 -14.382
ATOM    252  HA  SER    15      17.361  -5.937 -14.169
ATOM    253  CB  SER    15      19.168  -6.126 -13.063
ATOM    254 2HB  SER    15      20.216  -5.980 -13.242
ATOM    255 3HB  SER    15      18.818  -5.387 -12.368
ATOM    256  OG  SER    15      18.968  -7.415 -12.509
ATOM    257  HG  SER    15      19.453  -7.488 -11.684
ATOM    258  C   SER    15      18.808  -4.664 -15.060
ATOM    259  O   SER    15      19.982  -4.441 -15.359
ATOM    260  N   GLN    16      17.824  -3.804 -15.301
ATOM    261  HN  GLN    16      16.881  -4.046 -15.032
ATOM    262  CA  GLN    16      18.073  -2.519 -15.945
ATOM    263  HA  GLN    16      19.035  -2.165 -15.638
ATOM    264  CB  GLN    16      18.076  -2.680 -17.466
ATOM    265 2HB  GLN    16      18.217  -3.718 -17.697
ATOM    266 3HB  GLN    16      17.125  -2.356 -17.843
ATOM    267  CG  GLN    16      19.167  -1.880 -18.160
ATOM    268 2HG  GLN    16      18.812  -1.582 -19.128
ATOM    269 3HG  GLN    16      19.380  -1.007 -17.573
ATOM    270  CD  GLN    16      20.449  -2.671 -18.336
ATOM    271  OE1 GLN    16      20.471  -3.888 -18.150
ATOM    272  NE2 GLN    16      21.525  -1.982 -18.697
ATOM    273 1HE2 GLN    16      22.407  -2.456 -18.829
ATOM    274 2HE2 GLN    16      21.461  -0.984 -18.839
ATOM    275  C   GLN    16      17.024  -1.492 -15.533
ATOM    276  O   GLN    16      16.455  -1.574 -14.445
ATOM    277  N   MET    17      16.774  -0.525 -16.410
ATOM    278  HN  MET    17      17.276  -0.513 -17.286
ATOM    279  CA  MET    17      15.792   0.519 -16.137
ATOM    280  HA  MET    17      16.193   1.178 -15.396
ATOM    281  CB  MET    17      15.509   1.327 -17.404
ATOM    282 2HB  MET    17      15.512   0.657 -18.242
ATOM    283 3HB  MET    17      14.540   1.778 -17.310
ATOM    284  CG  MET    17      16.527   2.426 -17.664
ATOM    285 2HG  MET    17      17.336   2.316 -16.968
ATOM    286 3HG  MET    17      16.899   2.320 -18.665
ATOM    287  SD  MET    17      15.829   4.078 -17.480
ATOM    288  CE  MET    17      15.561   4.137 -15.710
ATOM    289 1HE  MET    17      14.870   3.332 -15.416
ATOM    290 2HE  MET    17      16.522   4.004 -15.189
ATOM    291 3HE  MET    17      15.127   5.111 -15.437
ATOM    292  C   MET    17      14.495  -0.081 -15.602
ATOM    293  O   MET    17      13.707   0.603 -14.950
ATOM    294  N   ALA    18      14.281  -1.362 -15.883
ATOM    295  HN  ALA    18      14.967  -1.869 -16.424
ATOM    296  CA  ALA    18      13.081  -2.054 -15.429
ATOM    297  HA  ALA    18      12.259  -1.736 -16.036
ATOM    298  CB  ALA    18      13.244  -3.557 -15.595
ATOM    299 1HB  ALA    18      13.415  -3.793 -16.657
ATOM    300 2HB  ALA    18      14.104  -3.901 -15.000
ATOM    301 3HB  ALA    18      12.331  -4.066 -15.248
ATOM    302  C   ALA    18      12.766  -1.711 -13.977
ATOM    303  O   ALA    18      11.617  -1.443 -13.629
ATOM    304  N   GLU    19      13.795  -1.721 -13.135
ATOM    305  HN  GLU    19      14.716  -1.947 -13.484
ATOM    306  CA  GLU    19      13.625  -1.413 -11.720
ATOM    307  HA  GLU    19      12.680  -1.798 -11.399
ATOM    308  CB  GLU    19      14.729  -2.078 -10.894
ATOM    309 2HB  GLU    19      14.280  -2.533 -10.032
ATOM    310 3HB  GLU    19      15.194  -2.834 -11.496
ATOM    311  CG  GLU    19      15.802  -1.112 -10.423
ATOM    312 2HG  GLU    19      16.705  -1.663 -10.244
ATOM    313 3HG  GLU    19      15.973  -0.386 -11.194
ATOM    314  CD  GLU    19      15.415  -0.386  -9.149
ATOM    315  OE1 GLU    19      14.649  -0.962  -8.348
ATOM    316  OE2 GLU    19      15.876   0.758  -8.954
ATOM    317  C   GLU    19      13.640   0.095 -11.486
ATOM    318  O   GLU    19      13.033   0.593 -10.539
ATOM    319  N   GLY    20      14.338   0.817 -12.358
ATOM    320  HN  GLY    20      14.817   0.355 -13.118
ATOM    321  CA  GLY    20      14.420   2.260 -12.230
ATOM    322 2HA  GLY    20      14.696   2.501 -11.221
ATOM    323 3HA  GLY    20      15.173   2.623 -12.903
ATOM    324  C   GLY    20      13.107   2.946 -12.553
ATOM    325  O   GLY    20      12.571   3.694 -11.735
ATOM    326  N   PHE    21      12.588   2.692 -13.750
ATOM    327  HN  PHE    21      13.076   2.068 -14.376
ATOM    328  CA  PHE    21      11.331   3.293 -14.181
ATOM    329  HA  PHE    21      11.440   4.357 -14.167
ATOM    330  CB  PHE    21      10.996   2.857 -15.609
ATOM    331 2HB  PHE    21      11.415   1.883 -15.774
ATOM    332 3HB  PHE    21       9.929   2.808 -15.707
ATOM    333  CG  PHE    21      11.528   3.788 -16.661
ATOM    334  CD1 PHE    21      12.275   3.302 -17.721
ATOM    335  HD1 PHE    21      12.477   2.239 -17.791
ATOM    336  CE1 PHE    21      12.766   4.156 -18.691
ATOM    337  HE1 PHE    21      13.350   3.763 -19.516
ATOM    338  CZ  PHE    21      12.512   5.511 -18.608
ATOM    339  HZ  PHE    21      12.896   6.183 -19.367
ATOM    340  CE2 PHE    21      11.768   6.008 -17.556
ATOM    341  HE2 PHE    21      11.567   7.071 -17.489
ATOM    342  CD2 PHE    21      11.280   5.149 -16.589
ATOM    343  HD2 PHE    21      10.697   5.545 -15.765
ATOM    344  C   PHE    21      10.194   2.909 -13.240
ATOM    345  O   PHE    21       9.278   3.696 -13.001
ATOM    346  N   ALA    22      10.259   1.693 -12.708
ATOM    347  HN  ALA    22      11.036   1.093 -12.945
ATOM    348  CA  ALA    22       9.236   1.204 -11.791
ATOM    349  HA  ALA    22       8.302   1.174 -12.313
ATOM    350  CB  ALA    22       9.572  -0.207 -11.331
ATOM    351 1HB  ALA    22       9.622  -0.876 -12.204
ATOM    352 2HB  ALA    22      10.545  -0.203 -10.816
ATOM    353 3HB  ALA    22       8.792  -0.563 -10.640
ATOM    354  C   ALA    22       9.085   2.132 -10.591
ATOM    355  O   ALA    22       7.971   2.435 -10.163
ATOM    356  N   LYS    23      10.213   2.582 -10.051
ATOM    357  HN  LYS    23      11.097   2.297 -10.448
ATOM    358  CA  LYS    23      10.207   3.477  -8.900
ATOM    359  HA  LYS    23       9.513   3.100  -8.179
ATOM    360  CB  LYS    23      11.596   3.527  -8.260
ATOM    361 2HB  LYS    23      11.477   3.640  -7.200
ATOM    362 3HB  LYS    23      12.098   2.602  -8.467
ATOM    363  CG  LYS    23      12.460   4.667  -8.771
ATOM    364 2HG  LYS    23      12.069   5.006  -9.711
ATOM    365 3HG  LYS    23      12.432   5.471  -8.061
ATOM    366  CD  LYS    23      13.903   4.229  -8.965
ATOM    367 2HD  LYS    23      13.978   3.669  -9.877
ATOM    368 3HD  LYS    23      14.526   5.100  -9.028
ATOM    369  CE  LYS    23      14.382   3.361  -7.812
ATOM    370 2HE  LYS    23      13.933   2.390  -7.899
ATOM    371 3HE  LYS    23      15.449   3.268  -7.868
ATOM    372  NZ  LYS    23      14.018   3.944  -6.491
ATOM    373 1HZ  LYS    23      14.443   4.860  -6.397
ATOM    374 2HZ  LYS    23      13.010   4.031  -6.426
ATOM    375 3HZ  LYS    23      14.354   3.338  -5.750
ATOM    376  C   LYS    23       9.771   4.881  -9.305
ATOM    377  O   LYS    23       9.218   5.629  -8.497
ATOM    378  N   THR    24      10.022   5.235 -10.562
ATOM    379  HN  THR    24      10.478   4.577 -11.177
ATOM    380  CA  THR    24       9.655   6.549 -11.074
ATOM    381  HA  THR    24       9.932   7.284 -10.347
ATOM    382  CB  THR    24      10.392   6.864 -12.390
ATOM    383  HB  THR    24      10.690   5.943 -12.847
ATOM    384  CG2 THR    24       9.484   7.617 -13.351
ATOM    385 1HG2 THR    24       8.599   7.002 -13.578
ATOM    386 2HG2 THR    24       9.164   8.563 -12.888
ATOM    387 3HG2 THR    24      10.031   7.830 -14.282
ATOM    388  OG1 THR    24      11.562   7.645 -12.122
ATOM    389 1HG  THR    24      12.015   7.837 -12.947
ATOM    390  C   THR    24       8.153   6.647 -11.310
ATOM    391  O   THR    24       7.506   7.599 -10.869
ATOM    392  N   LEU    25       7.602   5.659 -12.006
ATOM    393  HN  LEU    25       8.187   4.906 -12.340
ATOM    394  CA  LEU    25       6.173   5.634 -12.300
ATOM    395  HA  LEU    25       5.863   6.623 -12.564
ATOM    396  CB  LEU    25       5.891   4.704 -13.481
ATOM    397 2HB  LEU    25       5.842   3.701 -13.104
ATOM    398 3HB  LEU    25       4.939   4.978 -13.894
ATOM    399  CG  LEU    25       6.917   4.728 -14.614
ATOM    400  HG  LEU    25       7.858   5.038 -14.210
ATOM    401  CD1 LEU    25       7.086   3.340 -15.211
ATOM    402 1HD1 LEU    25       7.432   2.645 -14.431
ATOM    403 2HD1 LEU    25       6.121   2.992 -15.611
ATOM    404 3HD1 LEU    25       7.828   3.378 -16.024
ATOM    405  CD2 LEU    25       6.504   5.725 -15.687
ATOM    406 1HD2 LEU    25       5.524   5.437 -16.098
ATOM    407 2HD2 LEU    25       6.435   6.731 -15.246
ATOM    408 3HD2 LEU    25       7.254   5.728 -16.493
ATOM    409  C   LEU    25       5.374   5.184 -11.081
ATOM    410  O   LEU    25       4.313   5.731 -10.784
ATOM    411  N   GLY    26       5.894   4.183 -10.376
ATOM    412  HN  GLY    26       6.769   3.771 -10.665
ATOM    413  CA  GLY    26       5.217   3.677  -9.196
ATOM    414 2HA  GLY    26       4.158   3.762  -9.344
ATOM    415 3HA  GLY    26       5.478   2.644  -9.066
ATOM    416  C   GLY    26       5.596   4.437  -7.940
ATOM    417  O   GLY    26       5.407   3.944  -6.828
ATOM    418  N   ALA    27       6.133   5.639  -8.117
ATOM    419  HN  ALA    27       6.263   5.987  -9.056
ATOM    420  CA  ALA    27       6.539   6.468  -6.989
ATOM    421  HA  ALA    27       7.088   5.858  -6.303
ATOM    422  CB  ALA    27       7.447   7.594  -7.461
ATOM    423 1HB  ALA    27       8.345   7.167  -7.935
ATOM    424 2HB  ALA    27       6.908   8.218  -8.190
ATOM    425 3HB  ALA    27       7.745   8.211  -6.599
ATOM    426  C   ALA    27       5.325   7.036  -6.260
ATOM    427  O   ALA    27       4.910   8.166  -6.512
ATOM    428  N   GLY    28       4.760   6.242  -5.356
ATOM    429  HN  GLY    28       5.143   5.322  -5.190
ATOM    430  CA  GLY    28       3.599   6.683  -4.605
ATOM    431 2HA  GLY    28       3.887   6.832  -3.582
ATOM    432 3HA  GLY    28       3.254   7.611  -5.018
ATOM    433  C   GLY    28       2.464   5.679  -4.650
ATOM    434  O   GLY    28       1.445   5.851  -3.980
ATOM    435  N   LYS    29       2.638   4.626  -5.442
ATOM    436  HN  LYS    29       3.497   4.541  -5.967
ATOM    437  CA  LYS    29       1.621   3.590  -5.573
ATOM    438  HA  LYS    29       0.818   3.814  -4.902
ATOM    439  CB  LYS    29       1.070   3.564  -7.000
ATOM    440 2HB  LYS    29       0.631   2.601  -7.177
ATOM    441 3HB  LYS    29       0.315   4.322  -7.086
ATOM    442  CG  LYS    29       2.125   3.814  -8.064
ATOM    443 2HG  LYS    29       2.523   4.802  -7.935
ATOM    444 3HG  LYS    29       2.912   3.094  -7.951
ATOM    445  CD  LYS    29       1.545   3.695  -9.463
ATOM    446 2HD  LYS    29       2.350   3.612 -10.168
ATOM    447 3HD  LYS    29       0.933   2.815  -9.513
ATOM    448  CE  LYS    29       0.698   4.906  -9.821
ATOM    449 2HE  LYS    29      -0.259   4.569 -10.170
ATOM    450 3HE  LYS    29       0.566   5.509  -8.943
ATOM    451  NZ  LYS    29       1.334   5.734 -10.883
ATOM    452 1HZ  LYS    29       2.237   6.063 -10.560
ATOM    453 2HZ  LYS    29       1.457   5.174 -11.719
ATOM    454 3HZ  LYS    29       0.740   6.529 -11.093
ATOM    455  C   LYS    29       2.189   2.221  -5.212
ATOM    456  O   LYS    29       1.493   1.380  -4.644
ATOM    457  N   ILE    30       3.458   2.006  -5.543
ATOM    458  HN  ILE    30       3.976   2.737  -6.008
ATOM    459  CA  ILE    30       4.120   0.741  -5.251
ATOM    460  HA  ILE    30       3.678   0.325  -4.370
ATOM    461  CB  ILE    30       3.944  -0.266  -6.404
ATOM    462  HB  ILE    30       4.249  -1.232  -6.060
ATOM    463  CG2 ILE    30       2.484  -0.341  -6.823
ATOM    464 1HG2 ILE    30       1.873  -0.665  -5.967
ATOM    465 2HG2 ILE    30       2.147   0.652  -7.159
ATOM    466 3HG2 ILE    30       2.375  -1.064  -7.646
ATOM    467  CG1 ILE    30       4.825   0.127  -7.591
ATOM    468 2HG1 ILE    30       4.933   1.194  -7.594
ATOM    469 3HG1 ILE    30       5.788  -0.330  -7.465
ATOM    470  CD1 ILE    30       4.264  -0.301  -8.929
ATOM    471 1HD1 ILE    30       4.156  -1.397  -8.948
ATOM    472 2HD1 ILE    30       3.279   0.168  -9.081
ATOM    473 3HD1 ILE    30       4.948   0.014  -9.732
ATOM    474  C   ILE    30       5.608   0.945  -4.992
ATOM    475  O   ILE    30       6.188   1.949  -5.406
ATOM    476  N   ALA    31       6.221  -0.014  -4.307
ATOM    477  HN  ALA    31       5.689  -0.813  -3.994
ATOM    478  CA  ALA    31       7.644   0.059  -3.996
ATOM    479  HA  ALA    31       8.003   1.024  -4.286
ATOM    480  CB  ALA    31       7.866  -0.104  -2.500
ATOM    481 1HB  ALA    31       7.339   0.698  -1.961
ATOM    482 2HB  ALA    31       7.477  -1.081  -2.176
ATOM    483 3HB  ALA    31       8.943  -0.047  -2.281
ATOM    484  C   ALA    31       8.429  -0.996  -4.768
ATOM    485  O   ALA    31       8.308  -2.192  -4.503
ATOM    486  N   VAL    32       9.234  -0.545  -5.724
ATOM    487  HN  VAL    32       9.289   0.449  -5.893
ATOM    488  CA  VAL    32      10.040  -1.451  -6.535
ATOM    489  HA  VAL    32       9.529  -2.389  -6.604
ATOM    490  CB  VAL    32      10.241  -0.901  -7.959
ATOM    491  HB  VAL    32       9.286  -0.860  -8.440
ATOM    492  CG1 VAL    32      10.812   0.507  -7.913
ATOM    493 1HG1 VAL    32      10.118   1.167  -7.370
ATOM    494 2HG1 VAL    32      11.784   0.492  -7.396
ATOM    495 3HG1 VAL    32      10.948   0.882  -8.939
ATOM    496  CG2 VAL    32      11.142  -1.825  -8.765
ATOM    497 1HG2 VAL    32      12.123  -1.904  -8.271
ATOM    498 2HG2 VAL    32      10.681  -2.823  -8.829
ATOM    499 3HG2 VAL    32      11.274  -1.416  -9.779
ATOM    500  C   VAL    32      11.405  -1.691  -5.898
ATOM    501  O   VAL    32      12.020  -0.773  -5.354
ATOM    502  N   THR    33      11.874  -2.933  -5.969
ATOM    503  HN  THR    33      11.322  -3.643  -6.429
ATOM    504  CA  THR    33      13.166  -3.295  -5.399
ATOM    505  HA  THR    33      13.776  -2.417  -5.358
ATOM    506  CB  THR    33      13.014  -3.848  -3.970
ATOM    507  HB  THR    33      12.437  -4.748  -4.009
ATOM    508  CG2 THR    33      14.373  -4.163  -3.364
ATOM    509 1HG2 THR    33      14.885  -4.916  -3.983
ATOM    510 2HG2 THR    33      14.980  -3.245  -3.326
ATOM    511 3HG2 THR    33      14.238  -4.556  -2.344
ATOM    512  OG1 THR    33      12.329  -2.897  -3.147
ATOM    513 1HG  THR    33      12.238  -3.249  -2.259
ATOM    514  C   THR    33      13.875  -4.334  -6.261
ATOM    515  O   THR    33      13.234  -5.188  -6.873
ATOM    516  N   SER    34      15.201  -4.256  -6.303
ATOM    517  HN  SER    34      15.669  -3.533  -5.775
ATOM    518  CA  SER    34      15.997  -5.189  -7.093
ATOM    519  HA  SER    34      15.363  -5.987  -7.418
ATOM    520  CB  SER    34      16.568  -4.487  -8.326
ATOM    521 2HB  SER    34      16.676  -5.203  -9.118
ATOM    522 3HB  SER    34      15.891  -3.713  -8.633
ATOM    523  OG  SER    34      17.833  -3.912  -8.046
ATOM    524  HG  SER    34      18.169  -3.479  -8.834
ATOM    525  C   SER    34      17.130  -5.777  -6.258
ATOM    526  O   SER    34      17.941  -5.046  -5.689
ATOM    527  N   SER    35      17.179  -7.104  -6.190
ATOM    528  HN  SER    35      16.485  -7.649  -6.682
ATOM    529  CA  SER    35      18.210  -7.792  -5.422
ATOM    530  HA  SER    35      18.687  -7.082  -4.780
ATOM    531  CB  SER    35      17.585  -8.888  -4.557
ATOM    532 2HB  SER    35      17.720  -8.638  -3.522
ATOM    533 3HB  SER    35      16.536  -8.952  -4.775
ATOM    534  OG  SER    35      18.188 -10.145  -4.812
ATOM    535  HG  SER    35      17.779 -10.814  -4.258
ATOM    536  C   SER    35      19.263  -8.396  -6.346
ATOM    537  O   SER    35      18.953  -8.852  -7.446
ATOM    538  N   GLY    36      20.512  -8.396  -5.890
ATOM    539  HN  GLY    36      20.711  -8.009  -4.979
ATOM    540  CA  GLY    36      21.593  -8.946  -6.687
ATOM    541 2HA  GLY    36      21.196  -9.265  -7.632
ATOM    542 3HA  GLY    36      22.326  -8.180  -6.848
ATOM    543  C   GLY    36      22.264 -10.128  -6.017
ATOM    544  O   GLY    36      22.958  -9.970  -5.011
ATOM    545  N   LEU    37      22.058 -11.317  -6.572
ATOM    546  HN  LEU    37      21.479 -11.381  -7.397
ATOM    547  CA  LEU    37      22.647 -12.532  -6.021
ATOM    548  HA  LEU    37      22.517 -12.522  -4.959
ATOM    549  CB  LEU    37      21.942 -13.767  -6.587
ATOM    550 2HB  LEU    37      21.869 -13.645  -7.651
ATOM    551 3HB  LEU    37      22.551 -14.623  -6.366
ATOM    552  CG  LEU    37      20.537 -14.042  -6.051
ATOM    553  HG  LEU    37      20.555 -13.931  -4.987
ATOM    554  CD1 LEU    37      19.542 -13.043  -6.620
ATOM    555 1HD1 LEU    37      19.840 -12.023  -6.332
ATOM    556 2HD1 LEU    37      19.527 -13.125  -7.718
ATOM    557 3HD1 LEU    37      18.538 -13.258  -6.222
ATOM    558  CD2 LEU    37      20.111 -15.466  -6.378
ATOM    559 1HD2 LEU    37      20.111 -15.608  -7.470
ATOM    560 2HD2 LEU    37      20.815 -16.175  -5.916
ATOM    561 3HD2 LEU    37      19.098 -15.646  -5.985
ATOM    562  C   LEU    37      24.140 -12.601  -6.326
ATOM    563  O   LEU    37      24.967 -12.632  -5.416
ATOM    564  N   GLU    38      24.476 -12.622  -7.612
ATOM    565  HN  GLU    38      23.748 -12.594  -8.312
ATOM    566  CA  GLU    38      25.869 -12.684  -8.036
ATOM    567  HA  GLU    38      26.479 -12.269  -7.261
ATOM    568  CB  GLU    38      26.292 -14.138  -8.263
ATOM    569 2HB  GLU    38      25.786 -14.506  -9.135
ATOM    570 3HB  GLU    38      27.352 -14.161  -8.428
ATOM    571  CG  GLU    38      25.968 -15.055  -7.096
ATOM    572 2HG  GLU    38      25.996 -14.481  -6.190
ATOM    573 3HG  GLU    38      24.982 -15.454  -7.236
ATOM    574  CD  GLU    38      26.945 -16.208  -6.971
ATOM    575  OE1 GLU    38      27.100 -16.736  -5.850
ATOM    576  OE2 GLU    38      27.556 -16.582  -7.994
ATOM    577  C   GLU    38      26.088 -11.875  -9.310
ATOM    578  O   GLU    38      25.276 -11.018  -9.661
ATOM    579  N   SER    39      27.190 -12.153 -10.000
ATOM    580  HN  SER    39      27.815 -12.870  -9.661
ATOM    581  CA  SER    39      27.518 -11.448 -11.233
ATOM    582  HA  SER    39      28.408 -11.876 -11.644
ATOM    583  CB  SER    39      26.387 -11.606 -12.252
ATOM    584 2HB  SER    39      25.453 -11.373 -11.778
ATOM    585 3HB  SER    39      26.553 -10.928 -13.067
ATOM    586  OG  SER    39      26.334 -12.930 -12.754
ATOM    587  HG  SER    39      25.618 -13.003 -13.390
ATOM    588  C   SER    39      27.771  -9.968 -10.963
ATOM    589  O   SER    39      27.819  -9.536  -9.811
ATOM    590  N   SER    40      27.931  -9.196 -12.033
ATOM    591  HN  SER    40      27.877  -9.611 -12.952
ATOM    592  CA  SER    40      28.183  -7.765 -11.912
ATOM    593  HA  SER    40      28.632  -7.578 -10.959
ATOM    594  CB  SER    40      29.148  -7.301 -13.005
ATOM    595 2HB  SER    40      29.513  -8.158 -13.537
ATOM    596 3HB  SER    40      28.625  -6.655 -13.684
ATOM    597  OG  SER    40      30.246  -6.598 -12.451
ATOM    598  HG  SER    40      30.835  -6.318 -13.155
ATOM    599  C   SER    40      26.880  -6.975 -11.999
ATOM    600  O   SER    40      25.910  -7.422 -12.611
ATOM    601  N   ARG    41      26.868  -5.797 -11.384
ATOM    602  HN  ARG    41      27.698  -5.485 -10.901
ATOM    603  CA  ARG    41      25.685  -4.944 -11.390
ATOM    604  HA  ARG    41      24.835  -5.539 -11.129
ATOM    605  CB  ARG    41      25.832  -3.825 -10.358
ATOM    606 2HB  ARG    41      24.855  -3.563 -10.000
ATOM    607 3HB  ARG    41      26.425  -4.192  -9.542
ATOM    608  CG  ARG    41      26.494  -2.572 -10.908
ATOM    609 2HG  ARG    41      27.065  -2.833 -11.778
ATOM    610 3HG  ARG    41      25.733  -1.866 -11.178
ATOM    611  CD  ARG    41      27.419  -1.934  -9.884
ATOM    612 2HD  ARG    41      27.242  -2.387  -8.928
ATOM    613 3HD  ARG    41      28.436  -2.109 -10.179
ATOM    614  NE  ARG    41      27.202  -0.495  -9.771
ATOM    615  HE  ARG    41      26.653  -0.038 -10.485
ATOM    616  CZ  ARG    41      27.687   0.247  -8.781
ATOM    617  NH1 ARG    41      28.413  -0.314  -7.823
ATOM    618 1HH1 ARG    41      28.598  -1.307  -7.845
ATOM    619 2HH1 ARG    41      28.781   0.252  -7.072
ATOM    620  NH2 ARG    41      27.447   1.551  -8.749
ATOM    621 1HH2 ARG    41      26.895   1.981  -9.477
ATOM    622 2HH2 ARG    41      27.816   2.114  -7.996
ATOM    623  C   ARG    41      25.453  -4.347 -12.775
ATOM    624  O   ARG    41      26.386  -4.204 -13.565
ATOM    625  N   VAL    42      24.203  -4.000 -13.062
ATOM    626  HN  VAL    42      23.481  -4.143 -12.370
ATOM    627  CA  VAL    42      23.847  -3.417 -14.351
ATOM    628  HA  VAL    42      23.616  -4.212 -15.029
ATOM    629  CB  VAL    42      22.612  -2.505 -14.233
ATOM    630  HB  VAL    42      22.188  -2.386 -15.208
ATOM    631  CG1 VAL    42      21.564  -3.139 -13.331
ATOM    632 1HG1 VAL    42      21.254  -4.107 -13.753
ATOM    633 2HG1 VAL    42      21.990  -3.295 -12.328
ATOM    634 3HG1 VAL    42      20.690  -2.473 -13.259
ATOM    635  CG2 VAL    42      23.012  -1.132 -13.715
ATOM    636 1HG2 VAL    42      23.477  -1.235 -12.722
ATOM    637 2HG2 VAL    42      23.731  -0.672 -14.411
ATOM    638 3HG2 VAL    42      22.118  -0.494 -13.637
ATOM    639  C   VAL    42      25.007  -2.613 -14.928
ATOM    640  O   VAL    42      25.740  -1.948 -14.197
ATOM    641  N   HIS    43      25.166  -2.679 -16.246
ATOM    642  HN  HIS    43      24.531  -3.244 -16.791
ATOM    643  CA  HIS    43      26.236  -1.955 -16.924
ATOM    644  HA  HIS    43      27.154  -2.485 -16.773
ATOM    645  CB  HIS    43      25.959  -1.880 -18.425
ATOM    646 2HB  HIS    43      25.477  -2.790 -18.727
ATOM    647 3HB  HIS    43      25.303  -1.050 -18.608
ATOM    648  CG  HIS    43      27.194  -1.700 -19.254
ATOM    649  ND1 HIS    43      27.558  -0.491 -19.809
ATOM    650  HD1 HIS    43      27.043   0.373 -19.716
ATOM    651  CE1 HIS    43      28.685  -0.640 -20.482
ATOM    652  HE1 HIS    43      29.208   0.140 -21.024
ATOM    653  NE2 HIS    43      29.066  -1.901 -20.382
ATOM    654  CD2 HIS    43      28.151  -2.584 -19.620
ATOM    655  HD2 HIS    43      28.188  -3.636 -19.360
ATOM    656  C   HIS    43      26.388  -0.549 -16.352
ATOM    657  O   HIS    43      25.416   0.096 -15.959
ATOM    658  N   PRO    44      27.637  -0.061 -16.302
ATOM    659  CD  PRO    44      28.843  -0.775 -16.752
ATOM    660 2HD  PRO    44      28.709  -1.170 -17.740
ATOM    661 3HD  PRO    44      29.091  -1.573 -16.078
ATOM    662  CG  PRO    44      29.904   0.291 -16.738
ATOM    663 2HG  PRO    44      29.977   0.757 -17.702
ATOM    664 3HG  PRO    44      30.854  -0.132 -16.472
ATOM    665  CB  PRO    44      29.474   1.284 -15.714
ATOM    666 2HB  PRO    44      29.856   2.259 -15.949
ATOM    667 3HB  PRO    44      29.813   0.993 -14.739
ATOM    668  CA  PRO    44      27.945   1.273 -15.779
ATOM    669  HA  PRO    44      27.533   1.389 -14.798
ATOM    670  C   PRO    44      27.443   2.385 -16.694
ATOM    671  O   PRO    44      26.910   3.393 -16.230
ATOM    672  N   THR    45      27.615   2.194 -17.999
ATOM    673  HN  THR    45      28.058   1.344 -18.319
ATOM    674  CA  THR    45      27.180   3.181 -18.979
ATOM    675  HA  THR    45      27.657   4.112 -18.755
ATOM    676  CB  THR    45      27.574   2.764 -20.409
ATOM    677  HB  THR    45      26.948   1.952 -20.716
ATOM    678  CG2 THR    45      27.388   3.919 -21.380
ATOM    679 1HG2 THR    45      26.332   4.232 -21.380
ATOM    680 2HG2 THR    45      28.021   4.765 -21.070
ATOM    681 3HG2 THR    45      27.675   3.597 -22.393
ATOM    682  OG1 THR    45      28.938   2.328 -20.433
ATOM    683 1HG  THR    45      29.176   2.070 -21.327
ATOM    684  C   THR    45      25.671   3.386 -18.920
ATOM    685  O   THR    45      25.173   4.481 -19.179
ATOM    686  N   ALA    46      24.947   2.326 -18.577
ATOM    687  HN  ALA    46      25.415   1.453 -18.378
ATOM    688  CA  ALA    46      23.494   2.391 -18.481
ATOM    689  HA  ALA    46      23.106   2.679 -19.436
ATOM    690  CB  ALA    46      22.926   1.025 -18.126
ATOM    691 1HB  ALA    46      23.202   0.299 -18.906
ATOM    692 2HB  ALA    46      23.336   0.698 -17.158
ATOM    693 3HB  ALA    46      21.829   1.090 -18.057
ATOM    694  C   ALA    46      23.058   3.430 -17.453
ATOM    695  O   ALA    46      22.111   4.184 -17.682
ATOM    696  N   ILE    47      23.753   3.464 -16.321
ATOM    697  HN  ILE    47      24.519   2.818 -16.193
ATOM    698  CA  ILE    47      23.436   4.411 -15.259
ATOM    699  HA  ILE    47      22.443   4.212 -14.914
ATOM    700  CB  ILE    47      24.402   4.264 -14.069
ATOM    701  HB  ILE    47      25.397   4.449 -14.415
ATOM    702  CG2 ILE    47      24.069   5.283 -12.989
ATOM    703 1HG2 ILE    47      24.160   6.299 -13.403
ATOM    704 2HG2 ILE    47      23.038   5.121 -12.637
ATOM    705 3HG2 ILE    47      24.767   5.166 -12.146
ATOM    706  CG1 ILE    47      24.341   2.843 -13.506
ATOM    707 2HG1 ILE    47      23.599   2.816 -12.731
ATOM    708 3HG1 ILE    47      24.056   2.176 -14.297
ATOM    709  CD1 ILE    47      25.654   2.365 -12.928
ATOM    710 1HD1 ILE    47      26.426   2.375 -13.713
ATOM    711 2HD1 ILE    47      25.958   3.032 -12.106
ATOM    712 3HD1 ILE    47      25.534   1.340 -12.544
ATOM    713  C   ILE    47      23.490   5.847 -15.770
ATOM    714  O   ILE    47      22.604   6.651 -15.483
ATOM    715  N   ALA    48      24.535   6.161 -16.528
ATOM    716  HN  ALA    48      25.231   5.456 -16.725
ATOM    717  CA  ALA    48      24.702   7.498 -17.082
ATOM    718  HA  ALA    48      24.758   8.194 -16.271
ATOM    719  CB  ALA    48      25.998   7.583 -17.875
ATOM    720 1HB  ALA    48      26.849   7.360 -17.213
ATOM    721 2HB  ALA    48      25.973   6.853 -18.699
ATOM    722 3HB  ALA    48      26.110   8.598 -18.287
ATOM    723  C   ALA    48      23.516   7.881 -17.961
ATOM    724  O   ALA    48      23.027   9.009 -17.902
ATOM    725  N   MET    49      23.059   6.936 -18.775
ATOM    726  HN  MET    49      23.505   6.030 -18.778
ATOM    727  CA  MET    49      21.929   7.175 -19.665
ATOM    728  HA  MET    49      22.079   8.111 -20.162
ATOM    729  CB  MET    49      21.842   6.072 -20.722
ATOM    730 2HB  MET    49      21.407   5.202 -20.269
ATOM    731 3HB  MET    49      21.210   6.414 -21.518
ATOM    732  CG  MET    49      23.190   5.686 -21.310
ATOM    733 2HG  MET    49      23.939   5.789 -20.549
ATOM    734 3HG  MET    49      23.145   4.663 -21.630
ATOM    735  SD  MET    49      23.652   6.713 -22.719
ATOM    736  CE  MET    49      25.154   7.472 -22.106
ATOM    737 1HE  MET    49      24.929   8.049 -21.196
ATOM    738 2HE  MET    49      25.891   6.689 -21.871
ATOM    739 3HE  MET    49      25.565   8.145 -22.874
ATOM    740  C   MET    49      20.623   7.247 -18.880
ATOM    741  O   MET    49      19.624   7.773 -19.367
ATOM    742  N   MET    50      20.640   6.713 -17.663
ATOM    743  HN  MET    50      21.493   6.294 -17.321
ATOM    744  CA  MET    50      19.457   6.718 -16.810
ATOM    745  HA  MET    50      18.588   6.677 -17.433
ATOM    746  CB  MET    50      19.457   5.493 -15.894
ATOM    747 2HB  MET    50      20.418   5.421 -15.423
ATOM    748 3HB  MET    50      18.701   5.629 -15.145
ATOM    749  CG  MET    50      19.181   4.189 -16.624
ATOM    750 2HG  MET    50      19.945   3.482 -16.365
ATOM    751 3HG  MET    50      18.226   3.815 -16.309
ATOM    752  SD  MET    50      19.161   4.386 -18.416
ATOM    753  CE  MET    50      19.591   2.730 -18.945
ATOM    754 1HE  MET    50      20.580   2.462 -18.543
ATOM    755 2HE  MET    50      18.838   2.019 -18.572
ATOM    756 3HE  MET    50      19.619   2.692 -20.045
ATOM    757  C   MET    50      19.395   7.993 -15.974
ATOM    758  O   MET    50      18.320   8.552 -15.759
ATOM    759  N   GLU    51      20.554   8.445 -15.505
ATOM    760  HN  GLU    51      21.403   7.940 -15.718
ATOM    761  CA  GLU    51      20.629   9.652 -14.691
ATOM    762  HA  GLU    51      20.100   9.480 -13.777
ATOM    763  CB  GLU    51      22.086   9.978 -14.356
ATOM    764 2HB  GLU    51      22.461   9.217 -13.699
ATOM    765 3HB  GLU    51      22.653   9.975 -15.267
ATOM    766  CG  GLU    51      22.268  11.328 -13.682
ATOM    767 2HG  GLU    51      21.320  11.651 -13.297
ATOM    768 3HG  GLU    51      22.963  11.217 -12.872
ATOM    769  CD  GLU    51      22.793  12.388 -14.631
ATOM    770  OE1 GLU    51      24.028  12.485 -14.786
ATOM    771  OE2 GLU    51      21.969  13.120 -15.219
ATOM    772  C   GLU    51      19.984  10.834 -15.411
ATOM    773  O   GLU    51      19.207  11.583 -14.821
ATOM    774  N   GLU    52      20.315  10.993 -16.688
ATOM    775  HN  GLU    52      20.960  10.343 -17.115
ATOM    776  CA  GLU    52      19.769  12.084 -17.488
ATOM    777  HA  GLU    52      20.077  13.012 -17.053
ATOM    778  CB  GLU    52      20.306  12.015 -18.919
ATOM    779 2HB  GLU    52      19.610  12.512 -19.567
ATOM    780 3HB  GLU    52      21.250  12.523 -18.952
ATOM    781  CG  GLU    52      20.506  10.597 -19.427
ATOM    782 2HG  GLU    52      21.367  10.177 -18.944
ATOM    783 3HG  GLU    52      19.638  10.017 -19.178
ATOM    784  CD  GLU    52      20.715  10.539 -20.927
ATOM    785  OE1 GLU    52      20.746   9.418 -21.478
ATOM    786  OE2 GLU    52      20.847  11.613 -21.551
ATOM    787  C   GLU    52      18.244  12.038 -17.502
ATOM    788  O   GLU    52      17.584  13.042 -17.769
ATOM    789  N   VAL    53      17.690  10.864 -17.214
ATOM    790  HN  VAL    53      18.286  10.076 -17.004
ATOM    791  CA  VAL    53      16.244  10.686 -17.194
ATOM    792  HA  VAL    53      15.805  11.415 -17.843
ATOM    793  CB  VAL    53      15.843   9.285 -17.693
ATOM    794  HB  VAL    53      16.729   8.690 -17.770
ATOM    795  CG1 VAL    53      14.903   8.614 -16.704
ATOM    796 1HG1 VAL    53      15.405   8.515 -15.729
ATOM    797 2HG1 VAL    53      13.995   9.225 -16.589
ATOM    798 3HG1 VAL    53      14.628   7.616 -17.078
ATOM    799  CG2 VAL    53      15.206   9.373 -19.072
ATOM    800 1HG2 VAL    53      14.306  10.006 -19.021
ATOM    801 2HG2 VAL    53      15.924   9.813 -19.781
ATOM    802 3HG2 VAL    53      14.926   8.364 -19.412
ATOM    803  C   VAL    53      15.685  10.892 -15.790
ATOM    804  O   VAL    53      14.474  11.002 -15.603
ATOM    805  N   GLY    54      16.577  10.943 -14.805
ATOM    806  HN  GLY    54      17.560  10.846 -15.016
ATOM    807  CA  GLY    54      16.153  11.136 -13.431
ATOM    808 2HA  GLY    54      16.880  11.744 -12.928
ATOM    809 3HA  GLY    54      15.205  11.639 -13.431
ATOM    810  C   GLY    54      16.010   9.827 -12.679
ATOM    811  O   GLY    54      15.165   9.703 -11.792
ATOM    812  N   ILE    55      16.834   8.848 -13.036
ATOM    813  HN  ILE    55      17.504   9.012 -13.774
ATOM    814  CA  ILE    55      16.794   7.543 -12.389
ATOM    815  HA  ILE    55      16.126   7.600 -11.555
ATOM    816  CB  ILE    55      16.281   6.454 -13.350
ATOM    817  HB  ILE    55      17.009   6.311 -14.121
ATOM    818  CG2 ILE    55      16.098   5.138 -12.609
ATOM    819 1HG2 ILE    55      17.063   4.818 -12.186
ATOM    820 2HG2 ILE    55      15.367   5.273 -11.796
ATOM    821 3HG2 ILE    55      15.731   4.371 -13.309
ATOM    822  CG1 ILE    55      14.966   6.894 -13.998
ATOM    823 2HG1 ILE    55      14.888   7.961 -13.916
ATOM    824 3HG1 ILE    55      14.988   6.616 -15.034
ATOM    825  CD1 ILE    55      13.742   6.274 -13.362
ATOM    826 1HD1 ILE    55      13.800   5.178 -13.446
ATOM    827 2HD1 ILE    55      13.697   6.558 -12.299
ATOM    828 3HD1 ILE    55      12.838   6.634 -13.877
ATOM    829  C   ILE    55      18.173   7.142 -11.874
ATOM    830  O   ILE    55      19.189   7.413 -12.514
ATOM    831  N   ASP    56      18.199   6.492 -10.716
ATOM    832  HN  ASP    56      17.330   6.299 -10.239
ATOM    833  CA  ASP    56      19.453   6.050 -10.116
ATOM    834  HA  ASP    56      20.262   6.403 -10.720
ATOM    835  CB  ASP    56      19.604   6.634  -8.710
ATOM    836 2HB  ASP    56      19.420   7.690  -8.754
ATOM    837 3HB  ASP    56      18.881   6.172  -8.065
ATOM    838  CG  ASP    56      20.987   6.405  -8.134
ATOM    839  OD1 ASP    56      21.851   7.293  -8.293
ATOM    840  OD2 ASP    56      21.205   5.339  -7.522
ATOM    841  C   ASP    56      19.520   4.527 -10.058
ATOM    842  O   ASP    56      18.943   3.904  -9.166
ATOM    843  N   ILE    57      20.228   3.935 -11.014
ATOM    844  HN  ILE    57      20.678   4.503 -11.718
ATOM    845  CA  ILE    57      20.370   2.486 -11.071
ATOM    846  HA  ILE    57      19.702   2.053 -10.356
ATOM    847  CB  ILE    57      20.011   1.939 -12.466
ATOM    848  HB  ILE    57      20.245   0.895 -12.492
ATOM    849  CG2 ILE    57      18.523   2.107 -12.733
ATOM    850 1HG2 ILE    57      17.949   1.555 -11.972
ATOM    851 2HG2 ILE    57      18.260   3.175 -12.688
ATOM    852 3HG2 ILE    57      18.283   1.712 -13.732
ATOM    853  CG1 ILE    57      20.834   2.648 -13.543
ATOM    854 2HG1 ILE    57      20.244   3.446 -13.951
ATOM    855 3HG1 ILE    57      21.715   3.054 -13.085
ATOM    856  CD1 ILE    57      21.258   1.739 -14.675
ATOM    857 1HD1 ILE    57      21.875   0.919 -14.276
ATOM    858 2HD1 ILE    57      20.365   1.322 -15.165
ATOM    859 3HD1 ILE    57      21.843   2.315 -15.408
ATOM    860  C   ILE    57      21.792   2.059 -10.721
ATOM    861  O   ILE    57      22.183   0.916 -10.957
ATOM    862  N   SER    58      22.559   2.985 -10.156
ATOM    863  HN  SER    58      22.178   3.905  -9.987
ATOM    864  CA  SER    58      23.939   2.705  -9.774
ATOM    865  HA  SER    58      24.461   2.335 -10.631
ATOM    866  CB  SER    58      24.628   3.986  -9.299
ATOM    867 2HB  SER    58      23.903   4.775  -9.247
ATOM    868 3HB  SER    58      25.045   3.819  -8.325
ATOM    869  OG  SER    58      25.665   4.367 -10.188
ATOM    870  HG  SER    58      26.081   5.171  -9.869
ATOM    871  C   SER    58      23.995   1.647  -8.677
ATOM    872  O   SER    58      23.564   1.882  -7.549
ATOM    873  N   GLY    59      24.531   0.478  -9.018
ATOM    874  HN  GLY    59      24.870   0.339  -9.959
ATOM    875  CA  GLY    59      24.634  -0.600  -8.052
ATOM    876 2HA  GLY    59      25.189  -1.406  -8.493
ATOM    877 3HA  GLY    59      25.156  -0.238  -7.187
ATOM    878  C   GLY    59      23.279  -1.123  -7.619
ATOM    879  O   GLY    59      22.916  -1.030  -6.447
ATOM    880  N   GLN    60      22.528  -1.673  -8.568
ATOM    881  HN  GLN    60      22.883  -1.720  -9.512
ATOM    882  CA  GLN    60      21.204  -2.210  -8.279
ATOM    883  HA  GLN    60      20.640  -1.464  -7.760
ATOM    884  CB  GLN    60      20.474  -2.554  -9.579
ATOM    885 2HB  GLN    60      20.977  -3.381 -10.042
ATOM    886 3HB  GLN    60      19.467  -2.837  -9.338
ATOM    887  CG  GLN    60      20.426  -1.403 -10.572
ATOM    888 2HG  GLN    60      20.638  -0.490 -10.050
ATOM    889 3HG  GLN    60      21.174  -1.566 -11.324
ATOM    890  CD  GLN    60      19.076  -1.274 -11.249
ATOM    891  OE1 GLN    60      18.396  -0.256 -11.115
ATOM    892  NE2 GLN    60      18.680  -2.307 -11.984
ATOM    893 1HE2 GLN    60      17.789  -2.277 -12.459
ATOM    894 2HE2 GLN    60      19.270  -3.123 -12.068
ATOM    895  C   GLN    60      21.300  -3.448  -7.394
ATOM    896  O   GLN    60      20.290  -3.959  -6.909
ATOM    897  N   THR    61      22.523  -3.928  -7.186
ATOM    898  HN  THR    61      23.313  -3.464  -7.610
ATOM    899  CA  THR    61      22.751  -5.107  -6.361
ATOM    900  HA  THR    61      21.955  -5.801  -6.536
ATOM    901  CB  THR    61      24.083  -5.794  -6.719
ATOM    902  HB  THR    61      24.349  -6.463  -5.927
ATOM    903  CG2 THR    61      23.951  -6.590  -8.009
ATOM    904 1HG2 THR    61      23.175  -7.362  -7.886
ATOM    905 2HG2 THR    61      23.669  -5.913  -8.830
ATOM    906 3HG2 THR    61      24.913  -7.071  -8.244
ATOM    907  OG1 THR    61      25.117  -4.814  -6.861
ATOM    908 1HG  THR    61      25.943  -5.250  -7.084
ATOM    909  C   THR    61      22.760  -4.748  -4.880
ATOM    910  O   THR    61      23.480  -3.844  -4.455
ATOM    911  N   SER    62      21.957  -5.461  -4.097
ATOM    912  HN  SER    62      21.393  -6.192  -4.506
ATOM    913  CA  SER    62      21.870  -5.215  -2.663
ATOM    914  HA  SER    62      22.699  -4.604  -2.371
ATOM    915  CB  SER    62      20.576  -4.472  -2.329
ATOM    916 2HB  SER    62      19.859  -4.648  -3.108
ATOM    917 3HB  SER    62      20.190  -4.841  -1.398
ATOM    918  OG  SER    62      20.803  -3.078  -2.216
ATOM    919  HG  SER    62      19.977  -2.635  -2.006
ATOM    920  C   SER    62      21.934  -6.525  -1.882
ATOM    921  O   SER    62      22.977  -6.884  -1.335
ATOM    922  N   ASP    63      20.811  -7.233  -1.835
ATOM    923  HN  ASP    63      19.988  -6.883  -2.304
ATOM    924  CA  ASP    63      20.738  -8.504  -1.123
ATOM    925  HA  ASP    63      21.647  -8.639  -0.574
ATOM    926  CB  ASP    63      19.571  -8.492  -0.135
ATOM    927 2HB  ASP    63      18.753  -9.040  -0.562
ATOM    928 3HB  ASP    63      19.885  -8.968   0.774
ATOM    929  CG  ASP    63      19.100  -7.088   0.189
ATOM    930  OD1 ASP    63      18.469  -6.457  -0.684
ATOM    931  OD2 ASP    63      19.363  -6.621   1.317
ATOM    932  C   ASP    63      20.584  -9.666  -2.099
ATOM    933  O   ASP    63      20.138  -9.500  -3.234
ATOM    934  N   PRO    64      20.962 -10.871  -1.649
ATOM    935  CD  PRO    64      21.503 -11.143  -0.306
ATOM    936 2HD  PRO    64      20.877 -10.716   0.454
ATOM    937 3HD  PRO    64      22.499 -10.757  -0.208
ATOM    938  CG  PRO    64      21.498 -12.644  -0.226
ATOM    939 2HG  PRO    64      20.583 -12.991   0.213
ATOM    940 3HG  PRO    64      22.328 -12.989   0.359
ATOM    941  CB  PRO    64      21.616 -13.131  -1.629
ATOM    942 2HB  PRO    64      21.157 -14.095  -1.735
ATOM    943 3HB  PRO    64      22.646 -13.192  -1.923
ATOM    944  CA  PRO    64      20.876 -12.085  -2.467
ATOM    945  HA  PRO    64      21.378 -11.937  -3.400
ATOM    946  C   PRO    64      19.434 -12.519  -2.709
ATOM    947  O   PRO    64      19.182 -13.614  -3.212
ATOM    948  N   ILE    65      18.492 -11.654  -2.348
ATOM    949  HN  ILE    65      18.764 -10.771  -1.939
ATOM    950  CA  ILE    65      17.076 -11.949  -2.528
ATOM    951  HA  ILE    65      16.532 -11.029  -2.485
ATOM    952  CB  ILE    65      16.807 -12.608  -3.893
ATOM    953  HB  ILE    65      17.695 -12.537  -4.485
ATOM    954  CG2 ILE    65      16.464 -14.080  -3.712
ATOM    955 1HG2 ILE    65      17.306 -14.596  -3.224
ATOM    956 2HG2 ILE    65      15.564 -14.173  -3.085
ATOM    957 3HG2 ILE    65      16.275 -14.536  -4.696
ATOM    958  CG1 ILE    65      15.678 -11.878  -4.623
ATOM    959 2HG1 ILE    65      14.822 -11.843  -3.977
ATOM    960 3HG1 ILE    65      16.004 -10.879  -4.839
ATOM    961  CD1 ILE    65      15.271 -12.540  -5.921
ATOM    962 1HD1 ILE    65      16.135 -12.575  -6.602
ATOM    963 2HD1 ILE    65      14.923 -13.565  -5.717
ATOM    964 3HD1 ILE    65      14.458 -11.963  -6.388
ATOM    965  C   ILE    65      16.560 -12.865  -1.423
ATOM    966  O   ILE    65      15.355 -13.076  -1.291
ATOM    967  N   GLU    66      17.481 -13.404  -0.630
ATOM    968  HN  GLU    66      18.455 -13.190  -0.790
ATOM    969  CA  GLU    66      17.119 -14.296   0.464
ATOM    970  HA  GLU    66      16.300 -14.907   0.147
ATOM    971  CB  GLU    66      18.296 -15.207   0.821
ATOM    972 2HB  GLU    66      19.077 -14.603   1.242
ATOM    973 3HB  GLU    66      17.964 -15.921   1.550
ATOM    974  CG  GLU    66      18.862 -15.963  -0.369
ATOM    975 2HG  GLU    66      18.269 -16.842  -0.531
ATOM    976 3HG  GLU    66      18.809 -15.331  -1.235
ATOM    977  CD  GLU    66      20.305 -16.382  -0.161
ATOM    978  OE1 GLU    66      20.737 -16.458   1.009
ATOM    979  OE2 GLU    66      21.001 -16.634  -1.166
ATOM    980  C   GLU    66      16.685 -13.502   1.693
ATOM    981  O   GLU    66      15.858 -13.960   2.481
ATOM    982  N   ASN    67      17.251 -12.310   1.849
ATOM    983  HN  ASN    67      17.924 -11.991   1.167
ATOM    984  CA  ASN    67      16.924 -11.451   2.982
ATOM    985  HA  ASN    67      17.264 -11.926   3.878
ATOM    986  CB  ASN    67      17.633 -10.102   2.848
ATOM    987 2HB  ASN    67      17.674  -9.836   1.809
ATOM    988 3HB  ASN    67      17.070  -9.362   3.385
ATOM    989  CG  ASN    67      19.045 -10.133   3.398
ATOM    990  OD1 ASN    67      19.329  -9.546   4.443
ATOM    991  ND2 ASN    67      19.939 -10.820   2.696
ATOM    992 1HD2 ASN    67      20.896 -10.876   3.014
ATOM    993 2HD2 ASN    67      19.662 -11.286   1.844
ATOM    994  C   ASN    67      15.417 -11.239   3.087
ATOM    995  O   ASN    67      14.864 -11.171   4.185
ATOM    996  N   PHE    68      14.758 -11.135   1.938
ATOM    997  HN  PHE    68      15.270 -11.200   1.070
ATOM    998  CA  PHE    68      13.315 -10.930   1.899
ATOM    999  HA  PHE    68      12.933 -11.009   2.895
ATOM   1000  CB  PHE    68      12.991  -9.535   1.363
ATOM   1001 2HB  PHE    68      12.075  -9.589   0.806
ATOM   1002 3HB  PHE    68      12.863  -8.872   2.197
ATOM   1003  CG  PHE    68      14.059  -8.973   0.468
ATOM   1004  CD1 PHE    68      14.860  -7.927   0.896
ATOM   1005  HD1 PHE    68      14.713  -7.511   1.886
ATOM   1006  CE1 PHE    68      15.844  -7.408   0.076
ATOM   1007  HE1 PHE    68      16.464  -6.590   0.423
ATOM   1008  CZ  PHE    68      16.036  -7.934  -1.187
ATOM   1009  HZ  PHE    68      16.806  -7.528  -1.833
ATOM   1010  CE2 PHE    68      15.245  -8.978  -1.625
ATOM   1011  HE2 PHE    68      15.395  -9.394  -2.615
ATOM   1012  CD2 PHE    68      14.262  -9.492  -0.800
ATOM   1013  HD2 PHE    68      13.643 -10.310  -1.149
ATOM   1014  C   PHE    68      12.638 -11.990   1.035
ATOM   1015  O   PHE    68      13.065 -12.256  -0.087
ATOM   1016  N   ASN    69      11.579 -12.591   1.567
ATOM   1017  HN  ASN    69      11.277 -12.327   2.494
ATOM   1018  CA  ASN    69      10.842 -13.623   0.846
ATOM   1019  HA  ASN    69      11.545 -14.269   0.363
ATOM   1020  CB  ASN    69      10.005 -14.455   1.818
ATOM   1021 2HB  ASN    69       9.317 -15.055   1.254
ATOM   1022 3HB  ASN    69      10.661 -15.094   2.378
ATOM   1023  CG  ASN    69       9.219 -13.594   2.788
ATOM   1024  OD1 ASN    69       9.794 -12.842   3.575
ATOM   1025  ND2 ASN    69       7.896 -13.701   2.736
ATOM   1026 1HD2 ASN    69       7.320 -13.152   3.358
ATOM   1027 2HD2 ASN    69       7.466 -14.331   2.074
ATOM   1028  C   ASN    69       9.941 -13.004  -0.218
ATOM   1029  O   ASN    69       9.668 -11.804  -0.194
ATOM   1030  N   ALA    70       9.482 -13.832  -1.151
ATOM   1031  HN  ALA    70       9.744 -14.807  -1.117
ATOM   1032  CA  ALA    70       8.610 -13.367  -2.223
ATOM   1033  HA  ALA    70       8.932 -12.390  -2.519
ATOM   1034  CB  ALA    70       8.714 -14.291  -3.427
ATOM   1035 1HB  ALA    70       9.753 -14.305  -3.790
ATOM   1036 2HB  ALA    70       8.413 -15.309  -3.135
ATOM   1037 3HB  ALA    70       8.051 -13.927  -4.227
ATOM   1038  C   ALA    70       7.163 -13.273  -1.750
ATOM   1039  O   ALA    70       6.389 -12.456  -2.250
ATOM   1040  N   ASP    71       6.804 -14.113  -0.786
ATOM   1041  HN  ASP    71       7.486 -14.760  -0.418
ATOM   1042  CA  ASP    71       5.450 -14.124  -0.246
ATOM   1043  HA  ASP    71       4.768 -14.342  -1.041
ATOM   1044  CB  ASP    71       5.313 -15.209   0.823
ATOM   1045 2HB  ASP    71       5.983 -16.013   0.585
ATOM   1046 3HB  ASP    71       5.580 -14.791   1.774
ATOM   1047  CG  ASP    71       3.903 -15.760   0.912
ATOM   1048  OD1 ASP    71       3.461 -16.084   2.034
ATOM   1049  OD2 ASP    71       3.241 -15.866  -0.142
ATOM   1050  C   ASP    71       5.089 -12.763   0.343
ATOM   1051  O   ASP    71       4.025 -12.214   0.055
ATOM   1052  N   ASP    72       5.980 -12.227   1.169
ATOM   1053  HN  ASP    72       6.834 -12.729   1.366
ATOM   1054  CA  ASP    72       5.755 -10.931   1.799
ATOM   1055  HA  ASP    72       4.927 -11.018   2.471
ATOM   1056  CB  ASP    72       6.989 -10.508   2.599
ATOM   1057 2HB  ASP    72       7.725 -11.286   2.533
ATOM   1058 3HB  ASP    72       7.383  -9.605   2.173
ATOM   1059  CG  ASP    72       6.673 -10.259   4.061
ATOM   1060  OD1 ASP    72       6.091  -9.199   4.370
ATOM   1061  OD2 ASP    72       7.008 -11.126   4.895
ATOM   1062  C   ASP    72       5.423  -9.870   0.755
ATOM   1063  O   ASP    72       4.557  -9.022   0.971
ATOM   1064  N   TYR    73       6.117  -9.922  -0.376
ATOM   1065  HN  TYR    73       6.814 -10.644  -0.493
ATOM   1066  CA  TYR    73       5.898  -8.963  -1.453
ATOM   1067  HA  TYR    73       5.949  -7.975  -1.045
ATOM   1068  CB  TYR    73       6.985  -9.106  -2.520
ATOM   1069 2HB  TYR    73       7.127 -10.150  -2.722
ATOM   1070 3HB  TYR    73       6.652  -8.611  -3.412
ATOM   1071  CG  TYR    73       8.315  -8.513  -2.112
ATOM   1072  CD1 TYR    73       8.872  -8.796  -0.871
ATOM   1073  HD1 TYR    73       8.344  -9.451  -0.187
ATOM   1074  CE1 TYR    73      10.086  -8.257  -0.493
ATOM   1075  HE1 TYR    73      10.505  -8.487   0.480
ATOM   1076  CZ  TYR    73      10.762  -7.424  -1.360
ATOM   1077  OHN TYR    73      11.972  -6.885  -0.989
ATOM   1078  HHN TYR    73      12.308  -6.333  -1.699
ATOM   1079  CE2 TYR    73      10.230  -7.128  -2.598
ATOM   1080  HE2 TYR    73      10.763  -6.473  -3.278
ATOM   1081  CD2 TYR    73       9.014  -7.670  -2.967
ATOM   1082  HD2 TYR    73       8.598  -7.434  -3.940
ATOM   1083  C   TYR    73       4.522  -9.157  -2.083
ATOM   1084  O   TYR    73       3.764 -10.042  -1.687
ATOM   1085  N   ASP    74       4.207  -8.323  -3.068
ATOM   1086  HN  ASP    74       4.873  -7.617  -3.347
ATOM   1087  CA  ASP    74       2.924  -8.402  -3.756
ATOM   1088  HA  ASP    74       2.335  -9.164  -3.290
ATOM   1089  CB  ASP    74       2.177  -7.072  -3.642
ATOM   1090 2HB  ASP    74       2.896  -6.279  -3.567
ATOM   1091 3HB  ASP    74       1.583  -6.934  -4.525
ATOM   1092  CG  ASP    74       1.268  -7.021  -2.430
ATOM   1093  OD1 ASP    74       1.660  -7.553  -1.371
ATOM   1094  OD2 ASP    74       0.164  -6.447  -2.541
ATOM   1095  C   ASP    74       3.116  -8.767  -5.225
ATOM   1096  O   ASP    74       2.428  -9.640  -5.754
ATOM   1097  N   VAL    75       4.057  -8.092  -5.879
ATOM   1098  HN  VAL    75       4.588  -7.387  -5.389
ATOM   1099  CA  VAL    75       4.340  -8.345  -7.286
ATOM   1100  HA  VAL    75       3.828  -9.238  -7.578
ATOM   1101  CB  VAL    75       3.847  -7.188  -8.175
ATOM   1102  HB  VAL    75       2.797  -7.313  -8.337
ATOM   1103  CG1 VAL    75       4.067  -5.852  -7.483
ATOM   1104 1HG1 VAL    75       3.511  -5.835  -6.533
ATOM   1105 2HG1 VAL    75       5.141  -5.715  -7.282
ATOM   1106 3HG1 VAL    75       3.709  -5.039  -8.133
ATOM   1107  CG2 VAL    75       4.545  -7.219  -9.526
ATOM   1108 1HG2 VAL    75       5.632  -7.120  -9.380
ATOM   1109 2HG2 VAL    75       4.328  -8.174 -10.029
ATOM   1110 3HG2 VAL    75       4.180  -6.386 -10.147
ATOM   1111  C   VAL    75       5.833  -8.549  -7.518
ATOM   1112  O   VAL    75       6.665  -7.929  -6.857
ATOM   1113  N   VAL    76       6.165  -9.423  -8.463
ATOM   1114  HN  VAL    76       5.434  -9.901  -8.970
ATOM   1115  CA  VAL    76       7.559  -9.708  -8.785
ATOM   1116  HA  VAL    76       8.151  -8.863  -8.501
ATOM   1117  CB  VAL    76       8.071 -10.942  -8.017
ATOM   1118  HB  VAL    76       7.585 -11.809  -8.412
ATOM   1119  CG1 VAL    76       9.570 -11.106  -8.210
ATOM   1120 1HG1 VAL    76       9.790 -11.235  -9.281
ATOM   1121 2HG1 VAL    76      10.089 -10.211  -7.834
ATOM   1122 3HG1 VAL    76       9.917 -11.991  -7.655
ATOM   1123  CG2 VAL    76       7.723 -10.831  -6.540
ATOM   1124 1HG2 VAL    76       8.191  -9.928  -6.119
ATOM   1125 2HG2 VAL    76       6.630 -10.765  -6.424
ATOM   1126 3HG2 VAL    76       8.096 -11.720  -6.007
ATOM   1127  C   VAL    76       7.741  -9.942 -10.280
ATOM   1128  O   VAL    76       7.008 -10.721 -10.891
ATOM   1129  N   ILE    77       8.723  -9.263 -10.864
ATOM   1130  HN  ILE    77       9.289  -8.638 -10.308
ATOM   1131  CA  ILE    77       9.002  -9.399 -12.288
ATOM   1132  HA  ILE    77       8.146  -9.835 -12.759
ATOM   1133  CB  ILE    77       9.272  -8.030 -12.942
ATOM   1134  HB  ILE    77      10.134  -7.597 -12.479
ATOM   1135  CG2 ILE    77       9.555  -8.199 -14.427
ATOM   1136 1HG2 ILE    77      10.439  -8.841 -14.561
ATOM   1137 2HG2 ILE    77       8.685  -8.665 -14.916
ATOM   1138 3HG2 ILE    77       9.746  -7.213 -14.879
ATOM   1139  CG1 ILE    77       8.083  -7.093 -12.723
ATOM   1140 2HG1 ILE    77       8.013  -6.873 -11.675
ATOM   1141 3HG1 ILE    77       8.261  -6.186 -13.268
ATOM   1142  CD1 ILE    77       6.763  -7.674 -13.179
ATOM   1143 1HD1 ILE    77       6.812  -7.896 -14.256
ATOM   1144 2HD1 ILE    77       6.558  -8.601 -12.622
ATOM   1145 3HD1 ILE    77       5.958  -6.947 -12.991
ATOM   1146  C   ILE    77      10.201 -10.310 -12.529
ATOM   1147  O   ILE    77      11.237 -10.174 -11.879
ATOM   1148  N   SER    78      10.052 -11.239 -13.469
ATOM   1149  HN  SER    78       9.176 -11.298 -13.969
ATOM   1150  CA  SER    78      11.122 -12.174 -13.795
ATOM   1151  HA  SER    78      11.910 -12.052 -13.082
ATOM   1152  CB  SER    78      10.611 -13.614 -13.714
ATOM   1153 2HB  SER    78       9.735 -13.710 -14.326
ATOM   1154 3HB  SER    78      11.374 -14.277 -14.074
ATOM   1155  OG  SER    78      10.284 -13.965 -12.380
ATOM   1156  HG  SER    78       9.967 -14.871 -12.356
ATOM   1157  C   SER    78      11.680 -11.898 -15.188
ATOM   1158  O   SER    78      10.976 -12.036 -16.189
ATOM   1159  N   LEU    79      12.948 -11.507 -15.243
ATOM   1160  HN  LEU    79      13.472 -11.412 -14.385
ATOM   1161  CA  LEU    79      13.602 -11.211 -16.513
ATOM   1162  HA  LEU    79      12.851 -11.115 -17.269
ATOM   1163  CB  LEU    79      14.369  -9.891 -16.418
ATOM   1164 2HB  LEU    79      15.364 -10.113 -16.083
ATOM   1165 3HB  LEU    79      14.410  -9.464 -17.401
ATOM   1166  CG  LEU    79      13.782  -8.840 -15.476
ATOM   1167  HG  LEU    79      12.761  -9.094 -15.283
ATOM   1168  CD1 LEU    79      14.532  -8.830 -14.153
ATOM   1169 1HD1 LEU    79      14.451  -9.820 -13.678
ATOM   1170 2HD1 LEU    79      15.592  -8.595 -14.334
ATOM   1171 3HD1 LEU    79      14.095  -8.068 -13.489
ATOM   1172  CD2 LEU    79      13.820  -7.463 -16.123
ATOM   1173 1HD2 LEU    79      14.863  -7.194 -16.353
ATOM   1174 2HD2 LEU    79      13.231  -7.478 -17.053
ATOM   1175 3HD2 LEU    79      13.394  -6.720 -15.431
ATOM   1176  C   LEU    79      14.552 -12.336 -16.912
ATOM   1177  O   LEU    79      15.755 -12.123 -17.065
ATOM   1178  N   CYS    80      14.003 -13.535 -17.080
ATOM   1179  HN  CYS    80      13.009 -13.646 -16.939
ATOM   1180  CA  CYS    80      14.800 -14.694 -17.463
ATOM   1181  HA  CYS    80      15.300 -14.474 -18.383
ATOM   1182  CB  CYS    80      15.854 -14.990 -16.394
ATOM   1183 2HB  CYS    80      16.585 -15.652 -16.816
ATOM   1184 3HB  CYS    80      16.325 -14.066 -16.120
ATOM   1185  SG  CYS    80      15.186 -15.762 -14.885
ATOM   1186  C   CYS    80      13.914 -15.918 -17.672
ATOM   1187  O   CYS    80      12.692 -15.805 -17.765
ATOM   1188  N   GLY    81      14.539 -17.090 -17.744
ATOM   1189  HN  GLY    81      15.545 -17.125 -17.661
ATOM   1190  CA  GLY    81      13.792 -18.318 -17.941
ATOM   1191 2HA  GLY    81      13.343 -18.295 -18.915
ATOM   1192 3HA  GLY    81      14.470 -19.147 -17.879
ATOM   1193  C   GLY    81      12.700 -18.505 -16.907
ATOM   1194  O   GLY    81      11.595 -17.985 -17.060
ATOM   1195  N   SER    82      13.008 -19.251 -15.851
ATOM   1196  HN  SER    82      13.934 -19.648 -15.782
ATOM   1197  CA  SER    82      12.042 -19.510 -14.790
ATOM   1198  HA  SER    82      11.762 -18.576 -14.349
ATOM   1199  CB  SER    82      10.788 -20.173 -15.363
ATOM   1200 2HB  SER    82      10.034 -19.425 -15.515
ATOM   1201 3HB  SER    82      11.032 -20.631 -16.302
ATOM   1202  OG  SER    82      10.287 -21.163 -14.481
ATOM   1203  HG  SER    82       9.502 -21.563 -14.862
ATOM   1204  C   SER    82      12.650 -20.396 -13.706
ATOM   1205  O   SER    82      12.890 -21.583 -13.922
ATOM   1206  N   GLY    83      12.896 -19.809 -12.539
ATOM   1207  HN  GLY    83      12.678 -18.830 -12.416
ATOM   1208  CA  GLY    83      13.474 -20.559 -11.439
ATOM   1209 2HA  GLY    83      13.514 -19.926 -10.574
ATOM   1210 3HA  GLY    83      12.848 -21.406 -11.233
ATOM   1211  C   GLY    83      14.874 -21.052 -11.746
ATOM   1212  O   GLY    83      15.414 -21.895 -11.029
ATOM   1213  N   VAL    84      15.464 -20.527 -12.815
ATOM   1214  HN  VAL    84      14.968 -19.839 -13.363
ATOM   1215  CA  VAL    84      16.810 -20.920 -13.216
ATOM   1216  HA  VAL    84      16.754 -21.874 -13.698
ATOM   1217  CB  VAL    84      17.418 -19.909 -14.206
ATOM   1218  HB  VAL    84      18.477 -19.886 -14.055
ATOM   1219  CG1 VAL    84      17.150 -20.339 -15.640
ATOM   1220 1HG1 VAL    84      17.601 -21.328 -15.817
ATOM   1221 2HG1 VAL    84      16.064 -20.396 -15.809
ATOM   1222 3HG1 VAL    84      17.592 -19.605 -16.332
ATOM   1223  CG2 VAL    84      16.869 -18.514 -13.948
ATOM   1224 1HG2 VAL    84      15.775 -18.522 -14.071
ATOM   1225 2HG2 VAL    84      17.120 -18.205 -12.922
ATOM   1226 3HG2 VAL    84      17.314 -17.806 -14.664
ATOM   1227  C   VAL    84      17.729 -21.045 -12.006
ATOM   1228  O   VAL    84      18.523 -21.980 -11.911
ATOM   1229  N   ASN    85      17.614 -20.097 -11.082
ATOM   1230  HN  ASN    85      16.941 -19.356 -11.218
ATOM   1231  CA  ASN    85      18.435 -20.100  -9.877
ATOM   1232  HA  ASN    85      18.822 -21.087  -9.732
ATOM   1233  CB  ASN    85      19.612 -19.134 -10.033
ATOM   1234 2HB  ASN    85      20.453 -19.675 -10.421
ATOM   1235 3HB  ASN    85      19.334 -18.361 -10.724
ATOM   1236  CG  ASN    85      20.011 -18.492  -8.718
ATOM   1237  OD1 ASN    85      19.351 -17.569  -8.239
ATOM   1238  ND2 ASN    85      21.096 -18.979  -8.127
ATOM   1239 1HD2 ASN    85      21.410 -18.591  -7.249
ATOM   1240 2HD2 ASN    85      21.607 -19.737  -8.556
ATOM   1241  C   ASN    85      17.608 -19.718  -8.653
ATOM   1242  O   ASN    85      17.751 -20.311  -7.583
ATOM   1243  N   LEU    86      16.741 -18.725  -8.819
ATOM   1244  HN  LEU    86      16.671 -18.278  -9.722
ATOM   1245  CA  LEU    86      15.888 -18.264  -7.729
ATOM   1246  HA  LEU    86      16.459 -18.271  -6.824
ATOM   1247  CB  LEU    86      15.416 -16.834  -7.995
ATOM   1248 2HB  LEU    86      15.456 -16.297  -7.067
ATOM   1249 3HB  LEU    86      16.096 -16.389  -8.695
ATOM   1250  CG  LEU    86      14.002 -16.688  -8.559
ATOM   1251  HG  LEU    86      13.310 -17.071  -7.838
ATOM   1252  CD1 LEU    86      13.674 -15.224  -8.807
ATOM   1253 1HD1 LEU    86      13.739 -14.668  -7.859
ATOM   1254 2HD1 LEU    86      14.391 -14.804  -9.529
ATOM   1255 3HD1 LEU    86      12.654 -15.140  -9.212
ATOM   1256  CD2 LEU    86      13.853 -17.495  -9.841
ATOM   1257 1HD2 LEU    86      14.575 -17.133 -10.589
ATOM   1258 2HD2 LEU    86      14.046 -18.558  -9.630
ATOM   1259 3HD2 LEU    86      12.830 -17.378 -10.232
ATOM   1260  C   LEU    86      14.685 -19.184  -7.551
ATOM   1261  O   LEU    86      14.321 -19.950  -8.444
ATOM   1262  N   PRO    87      14.051 -19.108  -6.372
ATOM   1263  CD  PRO    87      14.430 -18.218  -5.262
ATOM   1264 2HD  PRO    87      14.558 -17.209  -5.605
ATOM   1265 3HD  PRO    87      15.335 -18.554  -4.793
ATOM   1266  CG  PRO    87      13.264 -18.321  -4.318
ATOM   1267 2HG  PRO    87      12.549 -17.547  -4.522
ATOM   1268 3HG  PRO    87      13.599 -18.239  -3.302
ATOM   1269  CB  PRO    87      12.659 -19.662  -4.558
ATOM   1270 2HB  PRO    87      11.612 -19.652  -4.325
ATOM   1271 3HB  PRO    87      13.150 -20.410  -3.966
ATOM   1272  CA  PRO    87      12.877 -19.926  -6.050
ATOM   1273  HA  PRO    87      13.093 -20.961  -6.214
ATOM   1274  C   PRO    87      11.646 -19.513  -6.850
ATOM   1275  O   PRO    87      11.560 -18.402  -7.373
ATOM   1276  N   PRO    88      10.670 -20.427  -6.948
ATOM   1277  CD  PRO    88      10.705 -21.772  -6.349
ATOM   1278 2HD  PRO    88      10.975 -21.724  -5.312
ATOM   1279 3HD  PRO    88      11.397 -22.406  -6.869
ATOM   1280  CG  PRO    88       9.294 -22.264  -6.515
ATOM   1281 2HG  PRO    88       8.713 -22.032  -5.643
ATOM   1282 3HG  PRO    88       9.286 -23.324  -6.679
ATOM   1283  CB  PRO    88       8.748 -21.552  -7.705
ATOM   1284 2HB  PRO    88       7.683 -21.450  -7.629
ATOM   1285 3HB  PRO    88       8.993 -22.079  -8.607
ATOM   1286  CA  PRO    88       9.425 -20.179  -7.681
ATOM   1287  HA  PRO    88       9.642 -19.858  -8.678
ATOM   1288  C   PRO    88       8.533 -19.158  -6.983
ATOM   1289  O   PRO    88       7.613 -18.610  -7.587
ATOM   1290  N   GLU    89       8.814 -18.908  -5.708
ATOM   1291  HN  GLU    89       9.584 -19.391  -5.269
ATOM   1292  CA  GLU    89       8.036 -17.952  -4.928
ATOM   1293  HA  GLU    89       7.024 -18.295  -4.880
ATOM   1294  CB  GLU    89       8.585 -17.857  -3.503
ATOM   1295 2HB  GLU    89       8.116 -17.025  -3.014
ATOM   1296 3HB  GLU    89       8.339 -18.763  -2.984
ATOM   1297  CG  GLU    89      10.090 -17.663  -3.442
ATOM   1298 2HG  GLU    89      10.513 -17.957  -4.384
ATOM   1299 3HG  GLU    89      10.296 -16.625  -3.266
ATOM   1300  CD  GLU    89      10.740 -18.480  -2.342
ATOM   1301  OE1 GLU    89      10.361 -19.659  -2.177
ATOM   1302  OE2 GLU    89      11.626 -17.942  -1.647
ATOM   1303  C   GLU    89       8.051 -16.575  -5.585
ATOM   1304  O   GLU    89       7.142 -15.770  -5.384
ATOM   1305  N   TRP    90       9.091 -16.311  -6.368
ATOM   1306  HN  TRP    90       9.806 -17.014  -6.491
ATOM   1307  CA  TRP    90       9.225 -15.031  -7.054
ATOM   1308  HA  TRP    90       8.809 -14.267  -6.431
ATOM   1309  CB  TRP    90      10.701 -14.711  -7.296
ATOM   1310 2HB  TRP    90      11.143 -15.530  -7.830
ATOM   1311 3HB  TRP    90      10.763 -13.820  -7.891
ATOM   1312  CG  TRP    90      11.477 -14.493  -6.033
ATOM   1313  CD1 TRP    90      12.440 -15.309  -5.511
ATOM   1314  HD1 TRP    90      12.774 -16.240  -5.955
ATOM   1315  NE1 TRP    90      12.923 -14.777  -4.340
ATOM   1316  HE1 TRP    90      13.640 -15.189  -3.760
ATOM   1317  CE2 TRP    90      12.274 -13.598  -4.086
ATOM   1318  CZ2 TRP    90      12.416 -12.703  -3.029
ATOM   1319  HZ2 TRP    90      13.129 -12.884  -2.233
ATOM   1320  CH2 TRP    90      11.624 -11.587  -3.030
ATOM   1321  HH2 TRP    90      11.713 -10.871  -2.221
ATOM   1322  CZ3 TRP    90      10.700 -11.352  -4.057
ATOM   1323  HZ3 TRP    90      10.086 -10.459  -4.027
ATOM   1324  CE3 TRP    90      10.558 -12.239  -5.107
ATOM   1325  HE3 TRP    90       9.842 -12.047  -5.898
ATOM   1326  CD2 TRP    90      11.354 -13.388  -5.132
ATOM   1327  C   TRP    90       8.470 -15.040  -8.378
ATOM   1328  O   TRP    90       7.898 -14.029  -8.785
ATOM   1329  N   VAL    91       8.472 -16.189  -9.047
ATOM   1330  HN  VAL    91       8.961 -16.984  -8.660
ATOM   1331  CA  VAL    91       7.785 -16.330 -10.326
ATOM   1332  HA  VAL    91       7.715 -15.364 -10.780
ATOM   1333  CB  VAL    91       8.559 -17.260 -11.279
ATOM   1334  HB  VAL    91       8.102 -17.206 -12.245
ATOM   1335  CG1 VAL    91      10.005 -16.808 -11.409
ATOM   1336 1HG1 VAL    91      10.034 -15.783 -11.809
ATOM   1337 2HG1 VAL    91      10.487 -16.830 -10.419
ATOM   1338 3HG1 VAL    91      10.541 -17.484 -12.093
ATOM   1339  CG2 VAL    91       8.483 -18.700 -10.794
ATOM   1340 1HG2 VAL    91       8.923 -18.772  -9.787
ATOM   1341 2HG2 VAL    91       7.430 -19.020 -10.758
ATOM   1342 3HG2 VAL    91       9.041 -19.350 -11.486
ATOM   1343  C   VAL    91       6.374 -16.875 -10.135
ATOM   1344  O   VAL    91       5.730 -17.310 -11.090
ATOM   1345  N   THR    92       5.899 -16.849  -8.894
ATOM   1346  HN  THR    92       6.477 -16.479  -8.153
ATOM   1347  CA  THR    92       4.564 -17.342  -8.576
ATOM   1348  HA  THR    92       3.999 -17.395  -9.483
ATOM   1349  CB  THR    92       4.618 -18.750  -7.954
ATOM   1350  HB  THR    92       5.312 -19.345  -8.509
ATOM   1351  CG2 THR    92       5.079 -18.684  -6.506
ATOM   1352 1HG2 THR    92       6.084 -18.238  -6.461
ATOM   1353 2HG2 THR    92       4.377 -18.066  -5.925
ATOM   1354 3HG2 THR    92       5.110 -19.700  -6.084
ATOM   1355  OG1 THR    92       3.327 -19.365  -8.021
ATOM   1356 1HG  THR    92       3.369 -20.241  -7.632
ATOM   1357  C   THR    92       3.845 -16.401  -7.616
ATOM   1358  O   THR    92       2.942 -16.814  -6.889
ATOM   1359  N   GLN    93       4.252 -15.136  -7.618
ATOM   1360  HN  GLN    93       5.000 -14.860  -8.238
ATOM   1361  CA  GLN    93       3.645 -14.137  -6.746
ATOM   1362  HA  GLN    93       3.569 -14.547  -5.761
ATOM   1363  CB  GLN    93       4.520 -12.884  -6.685
ATOM   1364 2HB  GLN    93       5.125 -12.849  -7.570
ATOM   1365 3HB  GLN    93       3.879 -12.024  -6.656
ATOM   1366  CG  GLN    93       5.438 -12.842  -5.473
ATOM   1367 2HG  GLN    93       6.325 -13.403  -5.694
ATOM   1368 3HG  GLN    93       5.701 -11.820  -5.276
ATOM   1369  CD  GLN    93       4.792 -13.425  -4.232
ATOM   1370  OE1 GLN    93       3.796 -12.902  -3.732
ATOM   1371  NE2 GLN    93       5.358 -14.515  -3.727
ATOM   1372 1HE2 GLN    93       4.971 -14.948  -2.900
ATOM   1373 2HE2 GLN    93       6.175 -14.911  -4.169
ATOM   1374  C   GLN    93       2.245 -13.771  -7.229
ATOM   1375  O   GLN    93       1.745 -14.340  -8.199
ATOM   1376  N   GLU    94       1.619 -12.819  -6.545
ATOM   1377  HN  GLU    94       2.084 -12.391  -5.758
ATOM   1378  CA  GLU    94       0.276 -12.378  -6.904
ATOM   1379  HA  GLU    94      -0.410 -13.173  -6.697
ATOM   1380  CB  GLU    94      -0.125 -11.160  -6.070
ATOM   1381 2HB  GLU    94       0.400 -10.303  -6.447
ATOM   1382 3HB  GLU    94      -1.182 -11.008  -6.178
ATOM   1383  CG  GLU    94       0.190 -11.304  -4.591
ATOM   1384 2HG  GLU    94       1.245 -11.172  -4.450
ATOM   1385 3HG  GLU    94      -0.341 -10.544  -4.051
ATOM   1386  CD  GLU    94      -0.208 -12.659  -4.039
ATOM   1387  OE1 GLU    94       0.654 -13.562  -4.005
ATOM   1388  OE2 GLU    94      -1.381 -12.817  -3.641
ATOM   1389  C   GLU    94       0.194 -12.041  -8.390
ATOM   1390  O   GLU    94      -0.877 -12.111  -8.995
ATOM   1391  N   ILE    95       1.331 -11.675  -8.972
ATOM   1392  HN  ILE    95       2.177 -11.637  -8.421
ATOM   1393  CA  ILE    95       1.387 -11.327 -10.386
ATOM   1394  HA  ILE    95       0.715 -11.967 -10.918
ATOM   1395  CB  ILE    95       0.959  -9.867 -10.625
ATOM   1396  HB  ILE    95      -0.110  -9.819 -10.604
ATOM   1397  CG2 ILE    95       1.504  -8.969  -9.524
ATOM   1398 1HG2 ILE    95       1.113  -9.303  -8.551
ATOM   1399 2HG2 ILE    95       2.604  -9.024  -9.516
ATOM   1400 3HG2 ILE    95       1.190  -7.930  -9.709
ATOM   1401  CG1 ILE    95       1.439  -9.389 -11.997
ATOM   1402 2HG1 ILE    95       2.505  -9.503 -12.042
ATOM   1403 3HG1 ILE    95       0.981 -10.002 -12.749
ATOM   1404  CD1 ILE    95       1.100  -7.944 -12.286
ATOM   1405 1HD1 ILE    95       0.008  -7.810 -12.254
ATOM   1406 2HD1 ILE    95       1.571  -7.298 -11.529
ATOM   1407 3HD1 ILE    95       1.474  -7.672 -13.285
ATOM   1408  C   ILE    95       2.791 -11.531 -10.947
ATOM   1409  O   ILE    95       3.713 -10.779 -10.630
ATOM   1410  N   PHE    96       2.946 -12.552 -11.783
ATOM   1411  HN  PHE    96       2.149 -13.132 -12.004
ATOM   1412  CA  PHE    96       4.237 -12.856 -12.389
ATOM   1413  HA  PHE    96       4.994 -12.307 -11.869
ATOM   1414  CB  PHE    96       4.545 -14.349 -12.263
ATOM   1415 2HB  PHE    96       5.130 -14.648 -13.111
ATOM   1416 3HB  PHE    96       5.112 -14.504 -11.365
ATOM   1417  CG  PHE    96       3.317 -15.212 -12.205
ATOM   1418  CD1 PHE    96       2.657 -15.579 -13.367
ATOM   1419  HD1 PHE    96       3.031 -15.239 -14.326
ATOM   1420  CE1 PHE    96       1.527 -16.373 -13.317
ATOM   1421  HE1 PHE    96       1.020 -16.654 -14.233
ATOM   1422  CZ  PHE    96       1.044 -16.808 -12.098
ATOM   1423  HZ  PHE    96       0.157 -17.429 -12.056
ATOM   1424  CE2 PHE    96       1.693 -16.450 -10.933
ATOM   1425  HE2 PHE    96       1.317 -16.792  -9.975
ATOM   1426  CD2 PHE    96       2.822 -15.655 -10.989
ATOM   1427  HD2 PHE    96       3.326 -15.375 -10.071
ATOM   1428  C   PHE    96       4.259 -12.442 -13.857
ATOM   1429  O   PHE    96       3.404 -12.853 -14.641
ATOM   1430  N   GLU    97       5.242 -11.625 -14.222
ATOM   1431  HN  GLU    97       5.913 -11.323 -13.531
ATOM   1432  CA  GLU    97       5.375 -11.155 -15.595
ATOM   1433  HA  GLU    97       4.711 -11.722 -16.214
ATOM   1434  CB  GLU    97       4.988  -9.678 -15.692
ATOM   1435 2HB  GLU    97       5.841  -9.086 -15.423
ATOM   1436 3HB  GLU    97       4.711  -9.466 -16.707
ATOM   1437  CG  GLU    97       3.830  -9.291 -14.788
ATOM   1438 2HG  GLU    97       3.390 -10.186 -14.392
ATOM   1439 3HG  GLU    97       4.208  -8.692 -13.983
ATOM   1440  CD  GLU    97       2.758  -8.504 -15.517
ATOM   1441  OE1 GLU    97       2.018  -9.112 -16.318
ATOM   1442  OE2 GLU    97       2.661  -7.280 -15.288
ATOM   1443  C   GLU    97       6.800 -11.354 -16.104
ATOM   1444  O   GLU    97       7.756 -11.329 -15.328
ATOM   1445  N   ASP    98       6.933 -11.551 -17.411
ATOM   1446  HN  ASP    98       6.109 -11.561 -17.994
ATOM   1447  CA  ASP    98       8.241 -11.753 -18.024
ATOM   1448  HA  ASP    98       8.985 -11.725 -17.255
ATOM   1449  CB  ASP    98       8.300 -13.119 -18.709
ATOM   1450 2HB  ASP    98       8.190 -13.883 -17.964
ATOM   1451 3HB  ASP    98       7.493 -13.187 -19.412
ATOM   1452  CG  ASP    98       9.607 -13.341 -19.445
ATOM   1453  OD1 ASP    98      10.642 -12.809 -18.990
ATOM   1454  OD2 ASP    98       9.596 -14.048 -20.474
ATOM   1455  C   ASP    98       8.545 -10.650 -19.033
ATOM   1456  O   ASP    98       8.022 -10.655 -20.147
ATOM   1457  N   TRP    99       9.390  -9.707 -18.634
ATOM   1458  HN  TRP    99       9.784  -9.759 -17.706
ATOM   1459  CA  TRP    99       9.763  -8.597 -19.504
ATOM   1460  HA  TRP    99       9.038  -8.520 -20.287
ATOM   1461  CB  TRP    99       9.769  -7.286 -18.716
ATOM   1462 2HB  TRP    99      10.554  -7.332 -17.986
ATOM   1463 3HB  TRP    99       9.961  -6.480 -19.398
ATOM   1464  CG  TRP    99       8.477  -7.011 -18.008
ATOM   1465  CD1 TRP    99       8.324  -6.477 -16.761
ATOM   1466  HD1 TRP    99       9.136  -6.175 -16.110
ATOM   1467  NE1 TRP    99       6.988  -6.378 -16.453
ATOM   1468  HE1 TRP    99       6.610  -6.015 -15.589
ATOM   1469  CE2 TRP    99       6.252  -6.851 -17.507
ATOM   1470  CZ2 TRP    99       4.873  -6.954 -17.667
ATOM   1471  HZ2 TRP    99       4.192  -6.635 -16.886
ATOM   1472  CH2 TRP    99       4.407  -7.472 -18.844
ATOM   1473  HH2 TRP    99       3.338  -7.563 -18.998
ATOM   1474  CZ3 TRP    99       5.284  -7.887 -19.855
ATOM   1475  HZ3 TRP    99       4.882  -8.295 -20.775
ATOM   1476  CE3 TRP    99       6.653  -7.785 -19.698
ATOM   1477  HE3 TRP    99       7.324  -8.107 -20.486
ATOM   1478  CD2 TRP    99       7.158  -7.260 -18.506
ATOM   1479  C   TRP    99      11.131  -8.834 -20.133
ATOM   1480  O   TRP    99      12.135  -8.945 -19.431
ATOM   1481  N   GLN   100      11.163  -8.910 -21.460
ATOM   1482  HN  GLN   100      10.303  -8.811 -21.980
ATOM   1483  CA  GLN   100      12.409  -9.133 -22.182
ATOM   1484  HA  GLN   100      13.091  -9.642 -21.534
ATOM   1485  CB  GLN   100      12.160 -10.009 -23.411
ATOM   1486 2HB  GLN   100      11.738  -9.396 -24.184
ATOM   1487 3HB  GLN   100      13.101 -10.405 -23.742
ATOM   1488  CG  GLN   100      11.215 -11.171 -23.149
ATOM   1489 2HG  GLN   100      11.495 -11.640 -22.226
ATOM   1490 3HG  GLN   100      10.216 -10.789 -23.067
ATOM   1491  CD  GLN   100      11.249 -12.211 -24.252
ATOM   1492  OE1 GLN   100      10.507 -12.120 -25.230
ATOM   1493  NE2 GLN   100      12.114 -13.207 -24.100
ATOM   1494 1HE2 GLN   100      12.181 -13.929 -24.803
ATOM   1495 2HE2 GLN   100      12.705 -13.242 -23.281
ATOM   1496  C   GLN   100      13.038  -7.810 -22.605
ATOM   1497  O   GLN   100      13.216  -7.547 -23.795
ATOM   1498  N   LEU   101      13.374  -6.980 -21.624
ATOM   1499  HN  LEU   101      13.203  -7.254 -20.667
ATOM   1500  CA  LEU   101      13.984  -5.683 -21.894
ATOM   1501  HA  LEU   101      13.393  -5.175 -22.627
ATOM   1502  CB  LEU   101      14.014  -4.836 -20.620
ATOM   1503 2HB  LEU   101      14.753  -5.255 -19.965
ATOM   1504 3HB  LEU   101      14.303  -3.840 -20.895
ATOM   1505  CG  LEU   101      12.700  -4.744 -19.844
ATOM   1506  HG  LEU   101      12.641  -3.775 -19.395
ATOM   1507  CD1 LEU   101      11.514  -4.911 -20.781
ATOM   1508 1HD1 LEU   101      11.535  -4.118 -21.544
ATOM   1509 2HD1 LEU   101      11.570  -5.895 -21.273
ATOM   1510 3HD1 LEU   101      10.578  -4.842 -20.205
ATOM   1511  CD2 LEU   101      12.659  -5.788 -18.738
ATOM   1512 1HD2 LEU   101      12.744  -6.793 -19.179
ATOM   1513 2HD2 LEU   101      13.497  -5.620 -18.043
ATOM   1514 3HD2 LEU   101      11.707  -5.706 -18.191
ATOM   1515  C   LEU   101      15.398  -5.849 -22.441
ATOM   1516  O   LEU   101      16.231  -6.525 -21.838
ATOM   1517  N   GLU   102      15.661  -5.226 -23.585
ATOM   1518  HN  GLU   102      14.934  -4.685 -24.031
ATOM   1519  CA  GLU   102      16.975  -5.305 -24.212
ATOM   1520  HA  GLU   102      17.253  -6.335 -24.290
ATOM   1521  CB  GLU   102      16.931  -4.704 -25.619
ATOM   1522 2HB  GLU   102      16.641  -3.674 -25.539
ATOM   1523 3HB  GLU   102      17.914  -4.767 -26.046
ATOM   1524  CG  GLU   102      15.957  -5.407 -26.550
ATOM   1525 2HG  GLU   102      16.167  -6.459 -26.537
ATOM   1526 3HG  GLU   102      14.959  -5.237 -26.195
ATOM   1527  CD  GLU   102      16.055  -4.910 -27.980
ATOM   1528  OE1 GLU   102      17.181  -4.873 -28.518
ATOM   1529  OE2 GLU   102      15.007  -4.558 -28.559
ATOM   1530  C   GLU   102      18.024  -4.581 -23.372
ATOM   1531  O   GLU   102      17.998  -3.357 -23.248
ATOM   1532  N   ASP   103      18.943  -5.348 -22.796
ATOM   1533  HN  ASP   103      18.908  -6.348 -22.935
ATOM   1534  CA  ASP   103      20.001  -4.781 -21.967
ATOM   1535  HA  ASP   103      19.575  -4.022 -21.344
ATOM   1536  CB  ASP   103      20.610  -5.861 -21.071
ATOM   1537 2HB  ASP   103      19.878  -6.160 -20.346
ATOM   1538 3HB  ASP   103      20.875  -6.704 -21.679
ATOM   1539  CG  ASP   103      21.848  -5.378 -20.342
ATOM   1540  OD1 ASP   103      22.017  -4.147 -20.209
ATOM   1541  OD2 ASP   103      22.648  -6.230 -19.904
ATOM   1542  C   ASP   103      21.087  -4.147 -22.831
ATOM   1543  O   ASP   103      21.840  -4.831 -23.525
ATOM   1544  N   PRO   104      21.171  -2.809 -22.789
ATOM   1545  CD  PRO   104      20.306  -1.931 -21.984
ATOM   1546 2HD  PRO   104      20.260  -2.266 -20.966
ATOM   1547 3HD  PRO   104      19.314  -1.890 -22.392
ATOM   1548  CG  PRO   104      20.983  -0.592 -22.080
ATOM   1549 2HG  PRO   104      21.662  -0.458 -21.260
ATOM   1550 3HG  PRO   104      20.254   0.196 -22.073
ATOM   1551  CB  PRO   104      21.725  -0.599 -23.372
ATOM   1552 2HB  PRO   104      22.579   0.048 -23.321
ATOM   1553 3HB  PRO   104      21.087  -0.287 -24.176
ATOM   1554  CA  PRO   104      22.161  -2.054 -23.562
ATOM   1555  HA  PRO   104      22.105  -2.324 -24.596
ATOM   1556  C   PRO   104      23.580  -2.257 -23.042
ATOM   1557  O   PRO   104      24.532  -1.676 -23.564
ATOM   1558  N   ASP   105      23.715  -3.083 -22.011
ATOM   1559  HN  ASP   105      22.894  -3.528 -21.626
ATOM   1560  CA  ASP   105      25.019  -3.364 -21.421
ATOM   1561  HA  ASP   105      25.322  -2.515 -20.845
ATOM   1562  CB  ASP   105      24.931  -4.576 -20.491
ATOM   1563 2HB  ASP   105      24.328  -4.316 -19.642
ATOM   1564 3HB  ASP   105      24.470  -5.386 -21.023
ATOM   1565  CG  ASP   105      26.293  -5.028 -20.001
ATOM   1566  OD1 ASP   105      26.527  -4.985 -18.775
ATOM   1567  OD2 ASP   105      27.124  -5.427 -20.843
ATOM   1568  C   ASP   105      26.063  -3.612 -22.504
ATOM   1569  O   ASP   105      27.100  -2.951 -22.545
ATOM   1570  N   GLY   106      25.783  -4.572 -23.381
ATOM   1571  HN  GLY   106      24.916  -5.084 -23.301
ATOM   1572  CA  GLY   106      26.709  -4.892 -24.452
ATOM   1573 2HA  GLY   106      27.640  -4.393 -24.263
ATOM   1574 3HA  GLY   106      26.868  -5.953 -24.464
ATOM   1575  C   GLY   106      26.194  -4.462 -25.811
ATOM   1576  O   GLY   106      26.527  -5.068 -26.828
ATOM   1577  N   GLN   107      25.377  -3.413 -25.828
ATOM   1578  HN  GLN   107      25.141  -2.958 -24.958
ATOM   1579  CA  GLN   107      24.814  -2.904 -27.072
ATOM   1580  HA  GLN   107      25.087  -3.568 -27.866
ATOM   1581  CB  GLN   107      23.287  -2.855 -26.983
ATOM   1582 2HB  GLN   107      23.009  -2.018 -26.372
ATOM   1583 3HB  GLN   107      22.893  -2.722 -27.972
ATOM   1584  CG  GLN   107      22.673  -4.111 -26.386
ATOM   1585 2HG  GLN   107      23.374  -4.917 -26.486
ATOM   1586 3HG  GLN   107      22.475  -3.936 -25.346
ATOM   1587  CD  GLN   107      21.377  -4.507 -27.067
ATOM   1588  OE1 GLN   107      21.201  -4.291 -28.266
ATOM   1589  NE2 GLN   107      20.461  -5.091 -26.303
ATOM   1590 1HE2 GLN   107      19.578  -5.377 -26.702
ATOM   1591 2HE2 GLN   107      20.647  -5.249 -25.323
ATOM   1592  C   GLN   107      25.361  -1.516 -27.391
ATOM   1593  O   GLN   107      26.073  -0.919 -26.584
ATOM   1594  N   SER   108      25.023  -1.009 -28.572
ATOM   1595  HN  SER   108      24.432  -1.548 -29.189
ATOM   1596  CA  SER   108      25.484   0.307 -28.999
ATOM   1597  HA  SER   108      26.545   0.355 -28.867
ATOM   1598  CB  SER   108      25.167   0.526 -30.479
ATOM   1599 2HB  SER   108      25.210  -0.417 -30.990
ATOM   1600 3HB  SER   108      24.180   0.937 -30.569
ATOM   1601  OG  SER   108      26.095   1.417 -31.073
ATOM   1602  HG  SER   108      25.875   1.538 -32.000
ATOM   1603  C   SER   108      24.840   1.406 -28.160
ATOM   1604  O   SER   108      23.915   1.153 -27.387
ATOM   1605  N   LEU   109      25.334   2.629 -28.319
ATOM   1606  HN  LEU   109      26.093   2.773 -28.970
ATOM   1607  CA  LEU   109      24.808   3.770 -27.577
ATOM   1608  HA  LEU   109      24.942   3.587 -26.531
ATOM   1609  CB  LEU   109      25.571   5.042 -27.950
ATOM   1610 2HB  LEU   109      26.460   4.749 -28.475
ATOM   1611 3HB  LEU   109      24.945   5.621 -28.601
ATOM   1612  CG  LEU   109      25.990   5.939 -26.785
ATOM   1613  HG  LEU   109      26.326   6.874 -27.183
ATOM   1614  CD1 LEU   109      24.809   6.207 -25.865
ATOM   1615 1HD1 LEU   109      24.009   6.708 -26.431
ATOM   1616 2HD1 LEU   109      24.433   5.253 -25.464
ATOM   1617 3HD1 LEU   109      25.131   6.854 -25.034
ATOM   1618  CD2 LEU   109      27.138   5.307 -26.011
ATOM   1619 1HD2 LEU   109      26.819   4.331 -25.614
ATOM   1620 2HD2 LEU   109      28.000   5.167 -26.682
ATOM   1621 3HD2 LEU   109      27.425   5.966 -25.177
ATOM   1622  C   LEU   109      23.319   3.957 -27.851
ATOM   1623  O   LEU   109      22.529   4.154 -26.928
ATOM   1624  N   GLU   110      22.944   3.892 -29.124
ATOM   1625  HN  GLU   110      23.641   3.727 -29.836
ATOM   1626  CA  GLU   110      21.549   4.053 -29.518
ATOM   1627  HA  GLU   110      21.258   5.066 -29.333
ATOM   1628  CB  GLU   110      21.381   3.763 -31.011
ATOM   1629 2HB  GLU   110      20.349   3.536 -31.198
ATOM   1630 3HB  GLU   110      21.659   4.642 -31.560
ATOM   1631  CG  GLU   110      22.226   2.601 -31.505
ATOM   1632 2HG  GLU   110      22.563   2.036 -30.657
ATOM   1633 3HG  GLU   110      21.619   1.977 -32.132
ATOM   1634  CD  GLU   110      23.436   3.054 -32.298
ATOM   1635  OE1 GLU   110      24.147   3.966 -31.825
ATOM   1636  OE2 GLU   110      23.672   2.498 -33.391
ATOM   1637  C   GLU   110      20.644   3.132 -28.705
ATOM   1638  O   GLU   110      19.512   3.487 -28.378
ATOM   1639  N   VAL   111      21.152   1.947 -28.383
ATOM   1640  HN  VAL   111      22.088   1.715 -28.682
ATOM   1641  CA  VAL   111      20.391   0.974 -27.608
ATOM   1642  HA  VAL   111      19.453   0.812 -28.096
ATOM   1643  CB  VAL   111      21.131  -0.374 -27.517
ATOM   1644  HB  VAL   111      21.980  -0.249 -26.878
ATOM   1645  CG1 VAL   111      20.229  -1.438 -26.910
ATOM   1646 1HG1 VAL   111      19.925  -1.128 -25.898
ATOM   1647 2HG1 VAL   111      19.334  -1.563 -27.539
ATOM   1648 3HG1 VAL   111      20.774  -2.393 -26.853
ATOM   1649  CG2 VAL   111      21.626  -0.802 -28.890
ATOM   1650 1HG2 VAL   111      20.769  -0.909 -29.572
ATOM   1651 2HG2 VAL   111      22.316  -0.041 -29.285
ATOM   1652 3HG2 VAL   111      22.152  -1.766 -28.807
ATOM   1653  C   VAL   111      20.118   1.487 -26.198
ATOM   1654  O   VAL   111      19.014   1.338 -25.674
ATOM   1655  N   PHE   112      21.131   2.094 -25.589
ATOM   1656  HN  PHE   112      22.012   2.187 -26.073
ATOM   1657  CA  PHE   112      21.001   2.629 -24.238
ATOM   1658  HA  PHE   112      20.845   1.814 -23.562
ATOM   1659  CB  PHE   112      22.282   3.362 -23.832
ATOM   1660 2HB  PHE   112      22.679   3.856 -24.697
ATOM   1661 3HB  PHE   112      22.034   4.092 -23.086
ATOM   1662  CG  PHE   112      23.341   2.453 -23.275
ATOM   1663  CD1 PHE   112      24.379   2.005 -24.076
ATOM   1664  HD1 PHE   112      24.426   2.313 -25.114
ATOM   1665  CE1 PHE   112      25.355   1.170 -23.567
ATOM   1666  HE1 PHE   112      26.162   0.828 -24.204
ATOM   1667  CZ  PHE   112      25.301   0.772 -22.246
ATOM   1668  HZ  PHE   112      26.065   0.116 -21.845
ATOM   1669  CE2 PHE   112      24.271   1.212 -21.437
ATOM   1670  HE2 PHE   112      24.226   0.902 -20.399
ATOM   1671  CD2 PHE   112      23.298   2.047 -21.951
ATOM   1672  HD2 PHE   112      22.492   2.388 -21.312
ATOM   1673  C   PHE   112      19.808   3.576 -24.141
ATOM   1674  O   PHE   112      18.969   3.444 -23.250
ATOM   1675  N   ARG   113      19.740   4.529 -25.064
ATOM   1676  HN  ARG   113      20.460   4.583 -25.771
ATOM   1677  CA  ARG   113      18.652   5.499 -25.082
ATOM   1678  HA  ARG   113      18.498   5.857 -24.086
ATOM   1679  CB  ARG   113      19.013   6.687 -25.977
ATOM   1680 2HB  ARG   113      18.999   6.359 -26.998
ATOM   1681 3HB  ARG   113      18.275   7.453 -25.837
ATOM   1682  CG  ARG   113      20.382   7.278 -25.681
ATOM   1683 2HG  ARG   113      20.337   8.343 -25.806
ATOM   1684 3HG  ARG   113      20.650   7.048 -24.668
ATOM   1685  CD  ARG   113      21.444   6.716 -26.613
ATOM   1686 2HD  ARG   113      22.203   6.237 -26.025
ATOM   1687 3HD  ARG   113      20.988   5.995 -27.264
ATOM   1688  NE  ARG   113      22.066   7.759 -27.426
ATOM   1689  HE  ARG   113      22.920   8.180 -27.090
ATOM   1690  CZ  ARG   113      21.569   8.183 -28.582
ATOM   1691  NH1 ARG   113      20.450   7.657 -29.060
ATOM   1692 1HH1 ARG   113      19.972   6.932 -28.544
ATOM   1693 2HH1 ARG   113      20.075   7.982 -29.940
ATOM   1694  NH2 ARG   113      22.193   9.136 -29.264
ATOM   1695 1HH2 ARG   113      23.046   9.539 -28.903
ATOM   1696 2HH2 ARG   113      21.815   9.458 -30.143
ATOM   1697  C   ARG   113      17.358   4.855 -25.572
ATOM   1698  O   ARG   113      16.278   5.129 -25.048
ATOM   1699  N   THR   114      17.475   3.998 -26.581
ATOM   1700  HN  THR   114      18.390   3.815 -26.968
ATOM   1701  CA  THR   114      16.315   3.316 -27.142
ATOM   1702  HA  THR   114      15.637   4.055 -27.515
ATOM   1703  CB  THR   114      16.717   2.392 -28.308
ATOM   1704  HB  THR   114      17.714   2.041 -28.142
ATOM   1705  CG2 THR   114      15.784   1.193 -28.393
ATOM   1706 1HG2 THR   114      15.834   0.621 -27.453
ATOM   1707 2HG2 THR   114      14.752   1.542 -28.556
ATOM   1708 3HG2 THR   114      16.090   0.549 -29.232
ATOM   1709  OG1 THR   114      16.683   3.117 -29.542
ATOM   1710 1HG  THR   114      16.935   2.534 -30.262
ATOM   1711  C   THR   114      15.594   2.493 -26.081
ATOM   1712  O   THR   114      14.380   2.604 -25.914
ATOM   1713  N   VAL   115      16.350   1.666 -25.365
ATOM   1714  HN  VAL   115      17.342   1.619 -25.551
ATOM   1715  CA  VAL   115      15.783   0.825 -24.318
ATOM   1716  HA  VAL   115      15.112   0.126 -24.772
ATOM   1717  CB  VAL   115      16.879   0.036 -23.577
ATOM   1718  HB  VAL   115      17.597   0.733 -23.198
ATOM   1719  CG1 VAL   115      16.286  -0.726 -22.401
ATOM   1720 1HG1 VAL   115      15.822  -0.015 -21.700
ATOM   1721 2HG1 VAL   115      15.524  -1.431 -22.767
ATOM   1722 3HG1 VAL   115      17.083  -1.283 -21.885
ATOM   1723  CG2 VAL   115      17.591  -0.910 -24.531
ATOM   1724 1HG2 VAL   115      16.864  -1.620 -24.955
ATOM   1725 2HG2 VAL   115      18.055  -0.331 -25.344
ATOM   1726 3HG2 VAL   115      18.370  -1.465 -23.985
ATOM   1727  C   VAL   115      15.000   1.657 -23.309
ATOM   1728  O   VAL   115      14.055   1.170 -22.687
ATOM   1729  N   ARG   116      15.398   2.915 -23.151
ATOM   1730  HN  ARG   116      16.180   3.256 -23.692
ATOM   1731  CA  ARG   116      14.734   3.815 -22.217
ATOM   1732  HA  ARG   116      14.936   3.481 -21.221
ATOM   1733  CB  ARG   116      15.276   5.237 -22.372
ATOM   1734 2HB  ARG   116      16.280   5.178 -22.746
ATOM   1735 3HB  ARG   116      14.661   5.759 -23.079
ATOM   1736  CG  ARG   116      15.293   6.028 -21.074
ATOM   1737 2HG  ARG   116      14.926   7.018 -21.264
ATOM   1738 3HG  ARG   116      14.656   5.542 -20.361
ATOM   1739  CD  ARG   116      16.697   6.123 -20.498
ATOM   1740 2HD  ARG   116      16.701   5.683 -19.519
ATOM   1741 3HD  ARG   116      17.370   5.583 -21.135
ATOM   1742  NE  ARG   116      17.153   7.507 -20.395
ATOM   1743  HE  ARG   116      17.157   7.942 -19.484
ATOM   1744  CZ  ARG   116      17.563   8.224 -21.435
ATOM   1745  NH1 ARG   116      17.572   7.693 -22.650
ATOM   1746 1HH1 ARG   116      17.267   6.740 -22.787
ATOM   1747 2HH1 ARG   116      17.884   8.242 -23.439
ATOM   1748  NH2 ARG   116      17.964   9.477 -21.261
ATOM   1749 1HH2 ARG   116      17.958   9.885 -20.337
ATOM   1750 2HH2 ARG   116      18.275  10.022 -22.052
ATOM   1751  C   ARG   116      13.224   3.808 -22.435
ATOM   1752  O   ARG   116      12.453   3.560 -21.509
ATOM   1753  N   GLY   117      12.808   4.084 -23.668
ATOM   1754  HN  GLY   117      13.485   4.281 -24.391
ATOM   1755  CA  GLY   117      11.392   4.105 -23.986
ATOM   1756 2HA  GLY   117      10.873   4.636 -23.211
ATOM   1757 3HA  GLY   117      11.257   4.614 -24.921
ATOM   1758  C   GLY   117      10.803   2.714 -24.101
ATOM   1759  O   GLY   117       9.593   2.533 -23.971
ATOM   1760  N   GLN   118      11.660   1.728 -24.348
ATOM   1761  HN  GLN   118      12.642   1.942 -24.444
ATOM   1762  CA  GLN   118      11.216   0.346 -24.483
ATOM   1763  HA  GLN   118      10.368   0.323 -25.135
ATOM   1764  CB  GLN   118      12.325  -0.510 -25.098
ATOM   1765 2HB  GLN   118      13.130  -0.581 -24.392
ATOM   1766 3HB  GLN   118      11.931  -1.489 -25.290
ATOM   1767  CG  GLN   118      12.875   0.050 -26.400
ATOM   1768 2HG  GLN   118      12.183   0.775 -26.782
ATOM   1769 3HG  GLN   118      13.816   0.525 -26.200
ATOM   1770  CD  GLN   118      13.086  -1.021 -27.452
ATOM   1771  OE1 GLN   118      12.752  -0.833 -28.622
ATOM   1772  NE2 GLN   118      13.645  -2.153 -27.041
ATOM   1773 1HE2 GLN   118      13.811  -2.902 -27.698
ATOM   1774 2HE2 GLN   118      13.905  -2.265 -26.071
ATOM   1775  C   GLN   118      10.804  -0.228 -23.132
ATOM   1776  O   GLN   118       9.742  -0.837 -23.002
ATOM   1777  N   VAL   119      11.652  -0.031 -22.127
ATOM   1778  HN  VAL   119      12.509   0.476 -22.298
ATOM   1779  CA  VAL   119      11.376  -0.529 -20.785
ATOM   1780  HA  VAL   119      11.095  -1.559 -20.858
ATOM   1781  CB  VAL   119      12.619  -0.427 -19.881
ATOM   1782  HB  VAL   119      13.090   0.516 -20.064
ATOM   1783  CG1 VAL   119      12.220  -0.484 -18.415
ATOM   1784 1HG1 VAL   119      11.543   0.353 -18.186
ATOM   1785 2HG1 VAL   119      11.708  -1.437 -18.211
ATOM   1786 3HG1 VAL   119      13.121  -0.410 -17.786
ATOM   1787  CG2 VAL   119      13.612  -1.529 -20.216
ATOM   1788 1HG2 VAL   119      13.137  -2.510 -20.062
ATOM   1789 2HG2 VAL   119      13.925  -1.434 -21.267
ATOM   1790 3HG2 VAL   119      14.493  -1.441 -19.561
ATOM   1791  C   VAL   119      10.228   0.239 -20.139
ATOM   1792  O   VAL   119       9.478  -0.307 -19.330
ATOM   1793  N   LYS   120      10.095   1.510 -20.504
ATOM   1794  HN  LYS   120      10.743   1.900 -21.173
ATOM   1795  CA  LYS   120       9.037   2.355 -19.962
ATOM   1796  HA  LYS   120       9.188   2.457 -18.908
ATOM   1797  CB  LYS   120       9.091   3.746 -20.599
ATOM   1798 2HB  LYS   120      10.120   4.033 -20.700
ATOM   1799 3HB  LYS   120       8.637   3.692 -21.570
ATOM   1800  CG  LYS   120       8.372   4.813 -19.791
ATOM   1801 2HG  LYS   120       7.319   4.748 -19.987
ATOM   1802 3HG  LYS   120       8.553   4.641 -18.747
ATOM   1803  CD  LYS   120       8.856   6.207 -20.153
ATOM   1804 2HD  LYS   120       9.929   6.211 -20.166
ATOM   1805 3HD  LYS   120       8.485   6.463 -21.127
ATOM   1806  CE  LYS   120       8.370   7.243 -19.151
ATOM   1807 2HE  LYS   120       7.725   7.937 -19.655
ATOM   1808 3HE  LYS   120       7.822   6.745 -18.375
ATOM   1809  NZ  LYS   120       9.500   7.994 -18.537
ATOM   1810 1HZ  LYS   120      10.113   7.347 -18.053
ATOM   1811 2HZ  LYS   120      10.021   8.474 -19.263
ATOM   1812 3HZ  LYS   120       9.136   8.673 -17.877
ATOM   1813  C   LYS   120       7.666   1.729 -20.199
ATOM   1814  O   LYS   120       6.897   1.526 -19.261
ATOM   1815  N   GLU   121       7.369   1.425 -21.459
ATOM   1816  HN  GLU   121       8.045   1.616 -22.185
ATOM   1817  CA  GLU   121       6.091   0.822 -21.817
ATOM   1818  HA  GLU   121       5.305   1.456 -21.464
ATOM   1819  CB  GLU   121       5.969   0.696 -23.337
ATOM   1820 2HB  GLU   121       5.676   1.649 -23.734
ATOM   1821 3HB  GLU   121       6.928   0.424 -23.733
ATOM   1822  CG  GLU   121       4.953  -0.343 -23.782
ATOM   1823 2HG  GLU   121       5.284  -1.310 -23.454
ATOM   1824 3HG  GLU   121       4.008  -0.116 -23.328
ATOM   1825  CD  GLU   121       4.774  -0.375 -25.288
ATOM   1826  OE1 GLU   121       4.232   0.605 -25.841
ATOM   1827  OE2 GLU   121       5.174  -1.380 -25.912
ATOM   1828  C   GLU   121       5.936  -0.551 -21.168
ATOM   1829  O   GLU   121       4.821  -1.014 -20.929
ATOM   1830  N   ARG   122       7.063  -1.196 -20.886
ATOM   1831  HN  ARG   122       7.948  -0.762 -21.107
ATOM   1832  CA  ARG   122       7.054  -2.515 -20.266
ATOM   1833  HA  ARG   122       6.311  -3.114 -20.750
ATOM   1834  CB  ARG   122       8.414  -3.193 -20.440
ATOM   1835 2HB  ARG   122       9.181  -2.479 -20.210
ATOM   1836 3HB  ARG   122       8.473  -4.015 -19.753
ATOM   1837  CG  ARG   122       8.656  -3.722 -21.845
ATOM   1838 2HG  ARG   122       7.922  -3.304 -22.506
ATOM   1839 3HG  ARG   122       9.636  -3.425 -22.165
ATOM   1840  CD  ARG   122       8.558  -5.239 -21.894
ATOM   1841 2HD  ARG   122       8.774  -5.632 -20.919
ATOM   1842 3HD  ARG   122       7.560  -5.513 -22.177
ATOM   1843  NE  ARG   122       9.495  -5.817 -22.853
ATOM   1844  HE  ARG   122      10.264  -6.366 -22.497
ATOM   1845  CZ  ARG   122       9.391  -5.660 -24.168
ATOM   1846  NH1 ARG   122       8.396  -4.947 -24.677
ATOM   1847 1HH1 ARG   122       7.715  -4.521 -24.065
ATOM   1848 2HH1 ARG   122       8.319  -4.830 -25.677
ATOM   1849  NH2 ARG   122      10.283  -6.218 -24.977
ATOM   1850 1HH2 ARG   122      11.042  -6.762 -24.593
ATOM   1851 2HH2 ARG   122      10.203  -6.098 -25.977
ATOM   1852  C   ARG   122       6.708  -2.418 -18.783
ATOM   1853  O   ARG   122       5.795  -3.089 -18.302
ATOM   1854  N   VAL   123       7.445  -1.577 -18.063
ATOM   1855  HN  VAL   123       8.181  -1.055 -18.516
ATOM   1856  CA  VAL   123       7.216  -1.390 -16.636
ATOM   1857  HA  VAL   123       7.166  -2.353 -16.173
ATOM   1858  CB  VAL   123       8.363  -0.596 -15.983
ATOM   1859  HB  VAL   123       9.231  -1.221 -15.955
ATOM   1860  CG1 VAL   123       8.692   0.640 -16.805
ATOM   1861 1HG1 VAL   123       8.999   0.336 -17.818
ATOM   1862 2HG1 VAL   123       7.802   1.285 -16.869
ATOM   1863 3HG1 VAL   123       9.513   1.193 -16.323
ATOM   1864  CG2 VAL   123       8.001  -0.216 -14.555
ATOM   1865 1HG2 VAL   123       7.092   0.406 -14.560
ATOM   1866 2HG2 VAL   123       7.818  -1.129 -13.968
ATOM   1867 3HG2 VAL   123       8.831   0.350 -14.104
ATOM   1868  C   VAL   123       5.900  -0.665 -16.380
ATOM   1869  O   VAL   123       5.106  -1.078 -15.536
ATOM   1870  N   GLU   124       5.675   0.419 -17.116
ATOM   1871  HN  GLU   124       6.366   0.707 -17.794
ATOM   1872  CA  GLU   124       4.454   1.203 -16.968
ATOM   1873  HA  GLU   124       4.454   1.654 -15.998
ATOM   1874  CB  GLU   124       4.404   2.313 -18.020
ATOM   1875 2HB  GLU   124       4.868   1.951 -18.917
ATOM   1876 3HB  GLU   124       3.376   2.546 -18.218
ATOM   1877  CG  GLU   124       5.112   3.588 -17.594
ATOM   1878 2HG  GLU   124       4.845   3.806 -16.578
ATOM   1879 3HG  GLU   124       6.171   3.431 -17.660
ATOM   1880  CD  GLU   124       4.742   4.777 -18.459
ATOM   1881  OE1 GLU   124       4.944   4.701 -19.689
ATOM   1882  OE2 GLU   124       4.252   5.784 -17.906
ATOM   1883  C   GLU   124       3.220   0.315 -17.090
ATOM   1884  O   GLU   124       2.201   0.558 -16.445
ATOM   1885  N   ASN   125       3.320  -0.717 -17.922
ATOM   1886  HN  ASN   125       4.185  -0.865 -18.422
ATOM   1887  CA  ASN   125       2.211  -1.641 -18.130
ATOM   1888  HA  ASN   125       1.346  -1.078 -18.413
ATOM   1889  CB  ASN   125       2.543  -2.623 -19.256
ATOM   1890 2HB  ASN   125       3.060  -2.094 -20.033
ATOM   1891 3HB  ASN   125       3.179  -3.394 -18.865
ATOM   1892  CG  ASN   125       1.304  -3.267 -19.846
ATOM   1893  OD1 ASN   125       0.274  -3.382 -19.181
ATOM   1894  ND2 ASN   125       1.397  -3.689 -21.102
ATOM   1895 1HD2 ASN   125       0.603  -4.125 -21.548
ATOM   1896 2HD2 ASN   125       2.262  -3.573 -21.611
ATOM   1897  C   ASN   125       1.894  -2.408 -16.850
ATOM   1898  O   ASN   125       0.738  -2.493 -16.435
ATOM   1899  N   LEU   126       2.928  -2.962 -16.227
ATOM   1900  HN  LEU   126       3.853  -2.855 -16.618
ATOM   1901  CA  LEU   126       2.761  -3.721 -14.993
ATOM   1902  HA  LEU   126       2.085  -4.529 -15.179
ATOM   1903  CB  LEU   126       4.103  -4.302 -14.542
ATOM   1904 2HB  LEU   126       4.137  -5.329 -14.852
ATOM   1905 3HB  LEU   126       4.881  -3.753 -15.036
ATOM   1906  CG  LEU   126       4.382  -4.258 -13.039
ATOM   1907  HG  LEU   126       4.241  -3.253 -12.699
ATOM   1908  CD1 LEU   126       3.412  -5.158 -12.290
ATOM   1909 1HD1 LEU   126       2.381  -4.818 -12.472
ATOM   1910 2HD1 LEU   126       3.525  -6.194 -12.644
ATOM   1911 3HD1 LEU   126       3.628  -5.113 -11.211
ATOM   1912  CD2 LEU   126       5.820  -4.664 -12.752
ATOM   1913 1HD2 LEU   126       5.992  -5.688 -13.118
ATOM   1914 2HD2 LEU   126       6.506  -3.971 -13.264
ATOM   1915 3HD2 LEU   126       6.002  -4.627 -11.667
ATOM   1916  C   LEU   126       2.177  -2.845 -13.890
ATOM   1917  O   LEU   126       1.282  -3.267 -13.156
ATOM   1918  N   ILE   127       2.686  -1.622 -13.780
ATOM   1919  HN  ILE   127       3.419  -1.335 -14.413
ATOM   1920  CA  ILE   127       2.213  -0.686 -12.769
ATOM   1921  HA  ILE   127       2.193  -1.190 -11.825
ATOM   1922  CB  ILE   127       3.146   0.534 -12.649
ATOM   1923  HB  ILE   127       3.002   1.157 -13.507
ATOM   1924  CG2 ILE   127       2.807   1.340 -11.405
ATOM   1925 1HG2 ILE   127       1.765   1.690 -11.467
ATOM   1926 2HG2 ILE   127       2.929   0.706 -10.513
ATOM   1927 3HG2 ILE   127       3.482   2.207 -11.334
ATOM   1928  CG1 ILE   127       4.608   0.083 -12.617
ATOM   1929 2HG1 ILE   127       4.737  -0.593 -11.794
ATOM   1930 3HG1 ILE   127       4.826  -0.426 -13.536
ATOM   1931  CD1 ILE   127       5.589   1.223 -12.457
ATOM   1932 1HD1 ILE   127       5.479   1.923 -13.300
ATOM   1933 2HD1 ILE   127       5.387   1.751 -11.512
ATOM   1934 3HD1 ILE   127       6.615   0.825 -12.442
ATOM   1935  C   ILE   127       0.801  -0.202 -13.086
ATOM   1936  O   ILE   127      -0.002   0.032 -12.184
ATOM   1937  N   ALA   128       0.507  -0.056 -14.373
ATOM   1938  HN  ALA   128       1.212  -0.263 -15.066
ATOM   1939  CA  ALA   128      -0.808   0.395 -14.810
ATOM   1940  HA  ALA   128      -1.107   1.212 -14.188
ATOM   1941  CB  ALA   128      -0.747   0.887 -16.249
ATOM   1942 1HB  ALA   128      -0.038   1.726 -16.320
ATOM   1943 2HB  ALA   128      -0.413   0.067 -16.903
ATOM   1944 3HB  ALA   128      -1.747   1.224 -16.564
ATOM   1945  C   ALA   128      -1.844  -0.716 -14.672
ATOM   1946  O   ALA   128      -3.045  -0.454 -14.607
ATOM   1947  N   LYS   129      -1.371  -1.957 -14.630
ATOM   1948  HN  LYS   129      -0.374  -2.106 -14.690
ATOM   1949  CA  LYS   129      -2.255  -3.109 -14.499
ATOM   1950  HA  LYS   129      -3.188  -2.878 -14.969
ATOM   1951  CB  LYS   129      -1.646  -4.327 -15.198
ATOM   1952 2HB  LYS   129      -2.383  -4.743 -15.857
ATOM   1953 3HB  LYS   129      -0.798  -4.002 -15.769
ATOM   1954  CG  LYS   129      -1.191  -5.413 -14.239
ATOM   1955 2HG  LYS   129      -0.667  -4.958 -13.421
ATOM   1956 3HG  LYS   129      -2.053  -5.933 -13.867
ATOM   1957  CD  LYS   129      -0.270  -6.410 -14.923
ATOM   1958 2HD  LYS   129       0.713  -5.985 -14.994
ATOM   1959 3HD  LYS   129      -0.230  -7.307 -14.336
ATOM   1960  CE  LYS   129      -0.761  -6.756 -16.320
ATOM   1961 2HE  LYS   129      -0.658  -5.892 -16.948
ATOM   1962 3HE  LYS   129      -0.162  -7.556 -16.711
ATOM   1963  NZ  LYS   129      -2.188  -7.181 -16.316
ATOM   1964 1HZ  LYS   129      -2.295  -8.001 -15.729
ATOM   1965 2HZ  LYS   129      -2.764  -6.429 -15.954
ATOM   1966 3HZ  LYS   129      -2.477  -7.402 -17.262
ATOM   1967  C   LYS   129      -2.518  -3.430 -13.032
ATOM   1968  O   LYS   129      -3.537  -4.031 -12.691
ATOM   1969  N   ILE   130      -1.594  -3.024 -12.168
ATOM   1970  HN  ILE   130      -0.780  -2.535 -12.511
ATOM   1971  CA  ILE   130      -1.727  -3.267 -10.737
ATOM   1972  HA  ILE   130      -2.422  -4.068 -10.594
ATOM   1973  CB  ILE   130      -0.382  -3.674 -10.106
ATOM   1974  HB  ILE   130      -0.544  -3.890  -9.071
ATOM   1975  CG2 ILE   130       0.162  -4.924 -10.781
ATOM   1976 1HG2 ILE   130      -0.556  -5.749 -10.659
ATOM   1977 2HG2 ILE   130       0.314  -4.725 -11.853
ATOM   1978 3HG2 ILE   130       1.122  -5.202 -10.320
ATOM   1979  CG1 ILE   130       0.623  -2.525 -10.211
ATOM   1980 2HG1 ILE   130       0.725  -2.256 -11.245
ATOM   1981 3HG1 ILE   130       0.240  -1.688  -9.660
ATOM   1982  CD1 ILE   130       1.993  -2.869  -9.669
ATOM   1983 1HD1 ILE   130       1.910  -3.137  -8.604
ATOM   1984 2HD1 ILE   130       2.407  -3.721 -10.231
ATOM   1985 3HD1 ILE   130       2.659  -1.999  -9.777
ATOM   1986  C   ILE   130      -2.261  -2.033 -10.017
ATOM   1987  O   ILE   130      -3.026  -2.142  -9.059
ATOM   1988  N   SER   131      -1.852  -0.858 -10.487
ATOM   1989  HN  SER   131      -1.225  -0.835 -11.279
ATOM   1990  CA  SER   131      -2.287   0.398  -9.887
ATOM   1991  HA  SER   131      -2.887   0.176  -9.029
ATOM   1992  CB  SER   131      -1.077   1.218  -9.437
ATOM   1993 2HB  SER   131      -0.862   0.991  -8.410
ATOM   1994 3HB  SER   131      -0.232   0.958 -10.045
ATOM   1995  OG  SER   131      -1.328   2.608  -9.562
ATOM   1996  HG  SER   131      -0.555   3.100  -9.274
ATOM   1997  C   SER   131      -3.127   1.207 -10.871
ATOM   1998  O   SER   131      -3.748   2.202 -10.500
ATOM   1999  OXT SER   131      -3.192   0.878 -12.053
TER   
END   

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    MET   1           H        MET   1   2.132  -1.119   1.039
    2    HA   MET   1           HA       MET   1   0.085  -1.164  -1.090
    3    HB2  MET   1           HB2      MET   1   1.350   0.374  -2.371
    4    HB3  MET   1           HB3      MET   1   0.900   1.097  -0.844
    5    HG2  MET   1           HG2      MET   1   3.293   0.762  -0.086
    6    HG3  MET   1           HG3      MET   1   3.656   0.208  -1.740
    7    HE1  MET   1           HE1      MET   1   5.252   3.736  -1.937
    8    HE2  MET   1           HE2      MET   1   5.337   2.551  -0.605
    9    HE3  MET   1           HE3      MET   1   5.414   2.005  -2.293
   10    H    LYS   2           H        LYS   2   0.939  -1.847  -3.247
   11    HA   LYS   2           HA       LYS   2   2.015  -4.502  -3.072
   12    HB2  LYS   2           HB2      LYS   2   1.904  -2.665  -5.489
   13    HB3  LYS   2           HB3      LYS   2   2.124  -4.385  -5.542
   14    HG2  LYS   2           HG2      LYS   2  -0.095  -4.844  -4.806
   15    HG3  LYS   2           HG3      LYS   2  -0.392  -3.198  -4.281
   16    HD2  LYS   2           HD2      LYS   2   0.350  -3.561  -7.162
   17    HD3  LYS   2           HD3      LYS   2  -1.227  -4.167  -6.689
   18    HE2  LYS   2           HE2      LYS   2  -0.435  -1.346  -5.865
   19    HE3  LYS   2           HE3      LYS   2  -0.874  -1.647  -7.539
   20    HZ1  LYS   2           HZ1      LYS   2  -3.010  -2.453  -6.863
   21    HZ2  LYS   2           HZ2      LYS   2  -2.650  -2.362  -5.256
   22    HZ3  LYS   2           HZ3      LYS   2  -2.792  -0.999  -6.147
   23    H    LYS   3           H        LYS   3   4.136  -5.194  -2.905
   24    HA   LYS   3           HA       LYS   3   6.254  -3.189  -3.554
   25    HB2  LYS   3           HB2      LYS   3   6.804  -5.741  -2.069
   26    HB3  LYS   3           HB3      LYS   3   7.774  -4.261  -2.186
   27    HG2  LYS   3           HG2      LYS   3   6.007  -3.102  -0.784
   28    HG3  LYS   3           HG3      LYS   3   5.189  -4.665  -0.614
   29    HD2  LYS   3           HD2      LYS   3   7.234  -5.631   0.411
   30    HD3  LYS   3           HD3      LYS   3   8.041  -4.050   0.271
   31    HE2  LYS   3           HE2      LYS   3   6.256  -3.030   1.685
   32    HE3  LYS   3           HE3      LYS   3   5.452  -4.601   1.800
   33    HZ1  LYS   3           HZ1      LYS   3   6.781  -4.257   3.759
   34    HZ2  LYS   3           HZ2      LYS   3   7.492  -5.456   2.885
   35    HZ3  LYS   3           HZ3      LYS   3   8.135  -3.949   2.894
   36    H    VAL   4           H        VAL   4   7.618  -3.572  -5.110
   37    HA   VAL   4           HA       VAL   4   7.027  -5.825  -6.929
   38    HB   VAL   4           HB       VAL   4   8.260  -3.178  -7.626
   39   HG11  VAL   4          HG11      VAL   4   6.665  -5.174  -9.278
   40   HG12  VAL   4          HG12      VAL   4   7.297  -3.633  -9.876
   41   HG13  VAL   4          HG13      VAL   4   8.417  -4.907  -9.371
   42   HG21  VAL   4          HG21      VAL   4   5.288  -3.574  -8.039
   43   HG22  VAL   4          HG22      VAL   4   5.908  -2.745  -6.608
   44   HG23  VAL   4          HG23      VAL   4   6.291  -2.115  -8.201
   45    H    MET   5           H        MET   5   8.802  -6.758  -7.946
   46    HA   MET   5           HA       MET   5  11.593  -5.977  -7.281
   47    HB2  MET   5           HB2      MET   5  10.466  -8.814  -7.298
   48    HB3  MET   5           HB3      MET   5  12.177  -8.424  -7.298
   49    HG2  MET   5           HG2      MET   5  11.164  -7.046  -5.069
   50    HG3  MET   5           HG3      MET   5  10.290  -8.569  -5.079
   51    HE1  MET   5           HE1      MET   5  12.980  -9.272  -2.408
   52    HE2  MET   5           HE2      MET   5  12.447  -7.605  -2.757
   53    HE3  MET   5           HE3      MET   5  11.276  -8.946  -2.814
   54    H    PHE   6           H        PHE   6  12.978  -6.171  -9.108
   55    HA   PHE   6           HA       PHE   6  11.935  -7.608 -11.498
   56    HB2  PHE   6           HB2      PHE   6  13.482  -4.975 -11.467
   57    HB3  PHE   6           HB3      PHE   6  13.065  -5.895 -12.890
   58    HD1  PHE   6           HD1      PHE   6  11.632  -3.935 -10.053
   59    HD2  PHE   6           HD2      PHE   6  10.921  -5.515 -14.017
   60    HE1  PHE   6           HE1      PHE   6   9.526  -2.671 -10.198
   61    HE2  PHE   6           HE2      PHE   6   8.848  -4.195 -14.162
   62    HZ   PHE   6           HZ       PHE   6   8.113  -2.810 -12.243
   63    H    VAL   7           H        VAL   7  13.132  -9.461 -10.899
   64    HA   VAL   7           HA       VAL   7  16.071  -9.036 -10.509
   65    HB   VAL   7           HB       VAL   7  14.083 -10.562  -8.814
   66   HG11  VAL   7          HG11      VAL   7  16.238 -11.255  -7.498
   67   HG12  VAL   7          HG12      VAL   7  15.825 -12.157  -8.953
   68   HG13  VAL   7          HG13      VAL   7  17.097 -10.937  -9.023
   69   HG21  VAL   7          HG21      VAL   7  14.388  -8.212  -8.233
   70   HG22  VAL   7          HG22      VAL   7  15.089  -9.231  -6.989
   71   HG23  VAL   7          HG23      VAL   7  16.152  -8.421  -8.170
   72    H    CYS   8           H        CYS   8  17.011  -9.826 -12.173
   73    HA   CYS   8           HA       CYS   8  16.399 -12.584 -13.141
   74    HB2  CYS   8           HB2      CYS   8  16.421 -10.925 -14.941
   75    HB3  CYS   8           HB3      CYS   8  17.960 -10.277 -14.361
   76    H    LYS   9           H        LYS   9  18.578 -13.816 -13.466
   77    HA   LYS   9           HA       LYS   9  20.289 -13.435 -11.105
   78    HB2  LYS   9           HB2      LYS   9  21.558 -15.360 -11.913
   79    HB3  LYS   9           HB3      LYS   9  19.849 -15.725 -11.707
   80    HG2  LYS   9           HG2      LYS   9  19.474 -15.612 -14.136
   81    HG3  LYS   9           HG3      LYS   9  21.152 -15.107 -14.404
   82    HD2  LYS   9           HD2      LYS   9  21.958 -17.266 -13.478
   83    HD3  LYS   9           HD3      LYS   9  20.278 -17.784 -13.231
   84    HE2  LYS   9           HE2      LYS   9  19.850 -17.578 -15.677
   85    HE3  LYS   9           HE3      LYS   9  21.506 -17.021 -15.932
   86    HZ1  LYS   9           HZ1      LYS   9  22.299 -19.194 -15.158
   87    HZ2  LYS   9           HZ2      LYS   9  20.758 -19.719 -14.930
   88    HZ3  LYS   9           HZ3      LYS   9  21.290 -19.369 -16.429
   89    H    ARG  10           H        ARG  10  22.391 -12.738 -11.166
   90    HA   ARG  10           HA       ARG  10  24.100 -11.401 -11.689
   91    HB2  ARG  10           HB2      ARG  10  23.632 -12.033 -14.634
   92    HB3  ARG  10           HB3      ARG  10  24.977 -11.133 -13.970
   93    HG2  ARG  10           HG2      ARG  10  25.999 -13.146 -14.090
   94    HG3  ARG  10           HG3      ARG  10  25.353 -13.274 -12.458
   95    HD2  ARG  10           HD2      ARG  10  23.334 -14.485 -13.521
   96    HD3  ARG  10           HD3      ARG  10  24.256 -14.534 -15.017
   97    HE   ARG  10           HE       ARG  10  24.682 -16.048 -12.515
   98   HH11  ARG  10          HH21      ARG  10  26.255 -15.231 -15.627
   99   HH12  ARG  10          HH22      ARG  10  27.361 -16.553 -15.510
  100   HH21  ARG  10          HH11      ARG  10  26.017 -17.658 -12.378
  101   HH22  ARG  10          HH12      ARG  10  27.240 -18.018 -13.584
  102    H    ASN  11           H        ASN  11  24.628  -9.221 -12.774
  103    HA   ASN  11           HA       ASN  11  22.124  -7.610 -13.141
  104    HB2  ASN  11           HB2      ASN  11  23.325  -7.776 -10.715
  105    HB3  ASN  11           HB3      ASN  11  24.274  -6.469 -11.432
  106   HD21  ASN  11          HD22      ASN  11  22.417  -5.112 -12.968
  107   HD22  ASN  11          HD21      ASN  11  21.022  -4.640 -12.013
  108    H    SER  12           H        SER  12  25.486  -8.177 -14.049
  109    HA   SER  12           HA       SER  12  26.181  -5.677 -15.045
  110    HB2  SER  12           HB2      SER  12  26.862  -8.315 -16.384
  111    HB3  SER  12           HB3      SER  12  27.877  -6.870 -16.206
  112    HG   SER  12           HG       SER  12  28.473  -8.512 -14.700
  113    H    SER  13           H        SER  13  24.010  -8.135 -16.331
  114    HA   SER  13           HA       SER  13  22.874  -6.210 -18.205
  115    HB2  SER  13           HB2      SER  13  22.498  -8.158 -19.817
  116    HB3  SER  13           HB3      SER  13  24.130  -7.467 -19.759
  117    HG   SER  13           HG       SER  13  24.214  -9.761 -19.729
  118    H    ARG  14           H        ARG  14  20.612  -6.553 -18.355
  119    HA   ARG  14           HA       ARG  14  18.578  -6.819 -17.487
  120    HB2  ARG  14           HB2      ARG  14  19.475  -9.540 -16.436
  121    HB3  ARG  14           HB3      ARG  14  17.815  -8.989 -16.578
  122    HG2  ARG  14           HG2      ARG  14  19.678  -9.395 -18.954
  123    HG3  ARG  14           HG3      ARG  14  18.537 -10.583 -18.350
  124    HD2  ARG  14           HD2      ARG  14  17.114  -8.089 -18.792
  125    HD3  ARG  14           HD3      ARG  14  18.058  -8.457 -20.225
  126    HE   ARG  14           HE       ARG  14  15.740  -9.897 -19.135
  127   HH11  ARG  14          HH11      ARG  14  18.499 -10.280 -21.372
  128   HH12  ARG  14          HH12      ARG  14  17.708 -11.476 -22.329
  129   HH21  ARG  14          HH21      ARG  14  14.697 -11.392 -20.415
  130   HH22  ARG  14          HH22      ARG  14  15.494 -12.151 -21.766
  131    H    SER  15           H        SER  15  17.419  -7.362 -15.165
  132    HA   SER  15           HA       SER  15  17.059  -6.262 -13.207
  133    HB2  SER  15           HB2      SER  15  19.891  -7.094 -12.554
  134    HB3  SER  15           HB3      SER  15  18.547  -6.855 -11.427
  135    HG   SER  15           HG       SER  15  19.168  -9.107 -12.247
  136    H    GLN  16           H        GLN  16  17.785  -4.356 -15.253
  137    HA   GLN  16           HA       GLN  16  18.754  -2.244 -13.570
  138    HB2  GLN  16           HB2      GLN  16  20.374  -1.391 -14.962
  139    HB3  GLN  16           HB3      GLN  16  20.793  -3.074 -14.672
  140    HG2  GLN  16           HG2      GLN  16  19.775  -3.582 -16.989
  141    HG3  GLN  16           HG3      GLN  16  19.677  -1.826 -17.224
  142   HE21  GLN  16          HE22      GLN  16  21.500  -4.027 -18.544
  143   HE22  GLN  16          HE21      GLN  16  23.124  -3.465 -18.217
  144    H    MET  17           H        MET  17  17.765  -0.336 -14.260
  145    HA   MET  17           HA       MET  17  16.540   1.130 -15.328
  146    HB2  MET  17           HB2      MET  17  17.712   0.578 -17.386
  147    HB3  MET  17           HB3      MET  17  16.535  -0.679 -17.735
  148    HG2  MET  17           HG2      MET  17  15.884   1.021 -19.076
  149    HG3  MET  17           HG3      MET  17  14.748   1.119 -17.758
  150    HE1  MET  17           HE1      MET  17  16.684   3.199 -15.567
  151    HE2  MET  17           HE2      MET  17  15.872   4.647 -16.141
  152    HE3  MET  17           HE3      MET  17  14.903   3.184 -15.833
  153    H    ALA  18           H        ALA  18  15.208  -2.196 -15.486
  154    HA   ALA  18           HA       ALA  18  12.485  -1.302 -15.773
  155    HB1  ALA  18           HB1      ALA  18  11.889  -3.587 -15.236
  156    HB2  ALA  18           HB2      ALA  18  13.287  -3.612 -16.320
  157    HB3  ALA  18           HB3      ALA  18  13.511  -3.906 -14.576
  158    H    GLU  19           H        GLU  19  14.334  -2.229 -12.877
  159    HA   GLU  19           HA       GLU  19  12.274  -1.488 -11.033
  160    HB2  GLU  19           HB2      GLU  19  13.951  -1.791  -9.368
  161    HB3  GLU  19           HB3      GLU  19  14.157  -3.030 -10.597
  162    HG2  GLU  19           HG2      GLU  19  15.886  -0.593 -10.116
  163    HG3  GLU  19           HG3      GLU  19  16.293  -2.275  -9.865
  164    H    GLY  20           H        GLY  20  15.055   0.363 -12.395
  165    HA2  GLY  20           HA2      GLY  20  14.667   2.739 -10.960
  166    HA3  GLY  20           HA3      GLY  20  15.311   2.626 -12.605
  167    H    PHE  21           H        PHE  21  13.097   1.747 -14.087
  168    HA   PHE  21           HA       PHE  21  11.524   4.149 -14.179
  169    HB2  PHE  21           HB2      PHE  21  11.617   1.575 -15.692
  170    HB3  PHE  21           HB3      PHE  21  10.055   2.363 -15.662
  171    HD1  PHE  21           HD1      PHE  21  10.342   5.156 -15.818
  172    HD2  PHE  21           HD2      PHE  21  12.837   2.115 -17.580
  173    HE1  PHE  21           HE1      PHE  21  11.024   6.739 -17.626
  174    HE2  PHE  21           HE2      PHE  21  13.528   3.678 -19.356
  175    HZ   PHE  21           HZ       PHE  21  12.606   6.006 -19.399
  176    H    ALA  22           H        ALA  22  10.950   0.941 -12.697
  177    HA   ALA  22           HA       ALA  22   8.186   1.498 -12.265
  178    HB1  ALA  22           HB1      ALA  22   8.280  -0.453 -10.761
  179    HB2  ALA  22           HB2      ALA  22   9.265  -0.747 -12.221
  180    HB3  ALA  22           HB3      ALA  22  10.062  -0.341 -10.694
  181    H    LYS  23           H        LYS  23  11.076   2.073 -10.271
  182    HA   LYS  23           HA       LYS  23   9.869   3.255  -8.003
  183    HB2  LYS  23           HB2      LYS  23  12.182   2.985  -7.823
  184    HB3  LYS  23           HB3      LYS  23  12.465   3.318  -9.502
  185    HG2  LYS  23           HG2      LYS  23  11.923   5.874  -8.673
  186    HG3  LYS  23           HG3      LYS  23  12.582   5.183  -7.201
  187    HD2  LYS  23           HD2      LYS  23  13.848   5.211 -10.000
  188    HD3  LYS  23           HD3      LYS  23  14.287   6.271  -8.676
  189    HE2  LYS  23           HE2      LYS  23  14.608   3.219  -8.565
  190    HE3  LYS  23           HE3      LYS  23  15.875   4.334  -9.080
  191    HZ1  LYS  23           HZ1      LYS  23  15.781   5.380  -6.862
  192    HZ2  LYS  23           HZ2      LYS  23  14.659   4.294  -6.361
  193    HZ3  LYS  23           HZ3      LYS  23  16.164   3.800  -6.762
  194    H    THR  24           H        THR  24  10.651   4.678 -11.215
  195    HA   THR  24           HA       THR  24   9.873   7.306 -10.560
  196    HB   THR  24           HB       THR  24  10.513   5.741 -13.047
  197    HG1  THR  24           HG1      THR  24  12.250   6.188 -11.779
  198   HG21  THR  24          HG21      THR  24  10.673   7.899 -14.229
  199   HG22  THR  24          HG22      THR  24   9.027   7.343 -13.876
  200   HG23  THR  24          HG23      THR  24   9.753   8.651 -12.893
  201    H    LEU  25           H        LEU  25   8.228   4.865 -12.562
  202    HA   LEU  25           HA       LEU  25   5.901   6.485 -13.046
  203    HB2  LEU  25           HB2      LEU  25   6.506   3.526 -13.427
  204    HB3  LEU  25           HB3      LEU  25   5.058   4.299 -14.070
  205    HG   LEU  25           HG       LEU  25   7.872   5.222 -14.768
  206   HD11  LEU  25          HD11      LEU  25   7.598   3.857 -16.871
  207   HD12  LEU  25          HD12      LEU  25   7.793   2.925 -15.388
  208   HD13  LEU  25          HD13      LEU  25   6.181   3.084 -16.108
  209   HD21  LEU  25          HD21      LEU  25   6.082   6.841 -15.304
  210   HD22  LEU  25          HD22      LEU  25   6.776   6.161 -16.779
  211   HD23  LEU  25          HD23      LEU  25   5.199   5.585 -16.197
  212    H    GLY  26           H        GLY  26   6.686   3.926 -10.716
  213    HA2  GLY  26           HA2      GLY  26   3.921   3.631  -9.808
  214    HA3  GLY  26           HA3      GLY  26   5.358   2.704  -9.336
  215    H    ALA  27           H        ALA  27   6.321   5.892  -9.084
  216    HA   ALA  27           HA       ALA  27   6.670   5.965  -6.368
  217    HB1  ALA  27           HB1      ALA  27   7.699   7.584  -7.934
  218    HB2  ALA  27           HB2      ALA  27   6.118   8.340  -8.213
  219    HB3  ALA  27           HB3      ALA  27   6.880   8.425  -6.610
  220    H    GLY  28           H        GLY  28   5.411   6.204  -4.612
  221    HA2  GLY  28           HA2      GLY  28   3.698   6.836  -3.231
  222    HA3  GLY  28           HA3      GLY  28   3.007   7.806  -4.538
  223    H    LYS  29           H        LYS  29   3.207   4.922  -6.066
  224    HA   LYS  29           HA       LYS  29   0.525   3.986  -5.124
  225    HB2  LYS  29           HB2      LYS  29   2.011   3.257  -7.682
  226    HB3  LYS  29           HB3      LYS  29   0.378   2.771  -7.219
  227    HG2  LYS  29           HG2      LYS  29  -0.342   5.148  -7.265
  228    HG3  LYS  29           HG3      LYS  29   1.287   5.620  -7.800
  229    HD2  LYS  29           HD2      LYS  29   1.020   4.061  -9.777
  230    HD3  LYS  29           HD3      LYS  29  -0.659   3.801  -9.308
  231    HE2  LYS  29           HE2      LYS  29   0.603   6.506  -9.913
  232    HE3  LYS  29           HE3      LYS  29  -0.271   5.533 -11.105
  233    HZ1  LYS  29           HZ1      LYS  29  -2.270   5.745  -9.710
  234    HZ2  LYS  29           HZ2      LYS  29  -1.473   6.714  -8.651
  235    HZ3  LYS  29           HZ3      LYS  29  -1.718   7.199 -10.187
  236    H    ILE  30           H        ILE  30   3.841   2.847  -5.914
  237    HA   ILE  30           HA       ILE  30   3.401   0.425  -4.268
  238    HB   ILE  30           HB       ILE  30   4.162  -1.012  -6.135
  239   HG12  ILE  30          HG12      ILE  30   3.951   1.505  -7.848
  240   HG13  ILE  30          HG13      ILE  30   5.413   0.587  -7.486
  241   HG21  ILE  30          HG21      ILE  30   1.734  -0.501  -5.573
  242   HG22  ILE  30          HG22      ILE  30   1.712   0.590  -6.984
  243   HG23  ILE  30          HG23      ILE  30   2.024  -1.138  -7.216
  244   HD11  ILE  30          HD11      ILE  30   4.870  -0.125  -9.623
  245   HD12  ILE  30          HD12      ILE  30   4.170  -1.408  -8.624
  246   HD13  ILE  30          HD13      ILE  30   3.114  -0.164  -9.321
  247    H    ALA  31           H        ALA  31   5.350  -0.764  -3.862
  248    HA   ALA  31           HA       ALA  31   7.723   1.028  -3.539
  249    HB1  ALA  31           HB1      ALA  31   6.963  -1.548  -2.088
  250    HB2  ALA  31           HB2      ALA  31   8.320  -0.487  -1.699
  251    HB3  ALA  31           HB3      ALA  31   6.638   0.081  -1.467
  252    H    VAL  32           H        VAL  32   9.861  -0.005  -4.013
  253    HA   VAL  32           HA       VAL  32   9.792  -2.436  -5.754
  254    HB   VAL  32           HB       VAL  32  11.179   0.177  -6.495
  255   HG11  VAL  32          HG11      VAL  32  11.466  -0.950  -8.699
  256   HG12  VAL  32          HG12      VAL  32  12.255  -1.843  -7.398
  257   HG13  VAL  32          HG13      VAL  32  10.700  -2.421  -8.040
  258   HG21  VAL  32          HG21      VAL  32   9.522   0.380  -8.344
  259   HG22  VAL  32          HG22      VAL  32   8.557  -0.910  -7.600
  260   HG23  VAL  32          HG23      VAL  32   8.815   0.632  -6.754
  261    H    THR  33           H        THR  33  11.364  -3.776  -5.133
  262    HA   THR  33           HA       THR  33  13.915  -2.717  -4.137
  263    HB   THR  33           HB       THR  33  12.403  -5.070  -2.960
  264    HG1  THR  33           HG1      THR  33  11.891  -3.854  -1.239
  265   HG21  THR  33          HG21      THR  33  14.136  -5.001  -1.164
  266   HG22  THR  33          HG22      THR  33  14.852  -5.286  -2.749
  267   HG23  THR  33          HG23      THR  33  14.960  -3.671  -2.013
  268    H    SER  34           H        SER  34  15.248  -3.467  -5.812
  269    HA   SER  34           HA       SER  34  14.673  -6.245  -6.785
  270    HB2  SER  34           HB2      SER  34  15.920  -3.954  -8.307
  271    HB3  SER  34           HB3      SER  34  15.737  -5.628  -8.884
  272    HG   SER  34           HG       SER  34  13.645  -3.842  -8.048
  273    H    SER  35           H        SER  35  15.702  -7.270  -5.204
  274    HA   SER  35           HA       SER  35  18.162  -6.565  -4.005
  275    HB2  SER  35           HB2      SER  35  17.837  -9.045  -3.211
  276    HB3  SER  35           HB3      SER  35  16.657  -7.807  -2.730
  277    HG   SER  35           HG       SER  35  15.250  -9.099  -3.653
  278    H    GLY  36           H        GLY  36  17.426  -9.379  -6.049
  279    HA2  GLY  36           HA2      GLY  36  18.682  -9.770  -8.142
  280    HA3  GLY  36           HA3      GLY  36  20.121  -9.153  -7.353
  281    H    LEU  37           H        LEU  37  20.179 -11.628  -8.604
  282    HA   LEU  37           HA       LEU  37  20.883 -13.385  -6.403
  283    HB2  LEU  37           HB2      LEU  37  19.397 -13.978  -8.992
  284    HB3  LEU  37           HB3      LEU  37  20.362 -15.235  -8.228
  285    HG   LEU  37           HG       LEU  37  18.371 -13.769  -6.553
  286   HD11  LEU  37          HD11      LEU  37  16.564 -15.362  -7.327
  287   HD12  LEU  37          HD12      LEU  37  17.133 -14.223  -8.574
  288   HD13  LEU  37          HD13      LEU  37  17.706 -15.909  -8.589
  289   HD21  LEU  37          HD21      LEU  37  19.278 -16.676  -6.644
  290   HD22  LEU  37          HD22      LEU  37  19.834 -15.436  -5.497
  291   HD23  LEU  37          HD23      LEU  37  18.147 -15.989  -5.461
  292    H    GLU  38           H        GLU  38  22.956 -14.176  -6.791
  293    HA   GLU  38           HA       GLU  38  25.096 -14.216  -7.676
  294    HB2  GLU  38           HB2      GLU  38  23.627 -14.271 -10.320
  295    HB3  GLU  38           HB3      GLU  38  25.259 -14.910  -9.995
  296    HG2  GLU  38           HG2      GLU  38  24.172 -16.522  -8.361
  297    HG3  GLU  38           HG3      GLU  38  22.607 -15.939  -8.950
  298    H    SER  39           H        SER  39  23.583 -11.625  -7.519
  299    HA   SER  39           HA       SER  39  24.303 -10.106  -9.784
  300    HB2  SER  39           HB2      SER  39  23.044  -8.303  -8.333
  301    HB3  SER  39           HB3      SER  39  22.217  -9.759  -8.955
  302    HG   SER  39           HG       SER  39  23.051  -9.259  -6.285
  303    H    SER  40           H        SER  40  24.880  -7.867  -9.640
  304    HA   SER  40           HA       SER  40  27.470  -7.353  -8.396
  305    HB2  SER  40           HB2      SER  40  28.292  -7.136 -10.782
  306    HB3  SER  40           HB3      SER  40  27.801  -8.807 -10.341
  307    HG   SER  40           HG       SER  40  27.079  -7.917 -12.440
  308    H    ARG  41           H        ARG  41  27.953  -5.124 -10.108
  309    HA   ARG  41           HA       ARG  41  25.703  -3.350  -9.455
  310    HB2  ARG  41           HB2      ARG  41  28.522  -2.983  -9.861
  311    HB3  ARG  41           HB3      ARG  41  27.755  -2.241 -11.254
  312    HG2  ARG  41           HG2      ARG  41  27.934  -0.484  -9.691
  313    HG3  ARG  41           HG3      ARG  41  26.239  -0.973  -9.602
  314    HD2  ARG  41           HD2      ARG  41  27.054  -2.546  -7.660
  315    HD3  ARG  41           HD3      ARG  41  28.500  -1.561  -7.637
  316    HE   ARG  41           HE       ARG  41  25.846  -0.910  -6.651
  317   HH11  ARG  41          HH11      ARG  41  28.930   0.567  -7.667
  318   HH12  ARG  41          HH12      ARG  41  28.619   2.064  -6.868
  319   HH21  ARG  41          HH21      ARG  41  25.397   1.083  -5.718
  320   HH22  ARG  41          HH22      ARG  41  26.581   2.347  -5.665
  321    H    VAL  42           H        VAL  42  24.801  -2.005 -11.100
  322    HA   VAL  42           HA       VAL  42  23.840  -3.436 -13.438
  323    HB   VAL  42           HB       VAL  42  22.485  -1.577 -13.749
  324   HG11  VAL  42          HG11      VAL  42  21.932  -2.665 -11.568
  325   HG12  VAL  42          HG12      VAL  42  22.854  -1.392 -10.735
  326   HG13  VAL  42          HG13      VAL  42  21.440  -0.981 -11.707
  327   HG21  VAL  42          HG21      VAL  42  24.089   0.237 -13.834
  328   HG22  VAL  42          HG22      VAL  42  22.951   0.660 -12.552
  329   HG23  VAL  42          HG23      VAL  42  24.545   0.010 -12.130
  330    H    HIS  43           H        HIS  43  24.073  -2.047 -15.648
  331    HA   HIS  43           HA       HIS  43  26.920  -2.264 -16.222
  332    HB2  HIS  43           HB2      HIS  43  25.150  -2.935 -17.815
  333    HB3  HIS  43           HB3      HIS  43  24.644  -1.266 -17.969
  334    HD1  HIS  43           HD1      HIS  43  27.807  -3.428 -18.730
  335    HD2  HIS  43           HD2      HIS  43  25.767   0.049 -19.912
  336    HE1  HIS  43           HE1      HIS  43  29.114  -2.465 -20.673
  337    HA   PRO  44           HA       PRO  44  28.072   1.882 -15.074
  338    HB2  PRO  44           HB2      PRO  44  30.093   2.449 -16.950
  339    HB3  PRO  44           HB3      PRO  44  30.294   1.562 -15.405
  340    HG2  PRO  44           HG2      PRO  44  29.828   0.423 -18.179
  341    HG3  PRO  44           HG3      PRO  44  31.017  -0.108 -16.944
  342    HD2  PRO  44           HD2      PRO  44  28.735  -1.448 -17.225
  343    HD3  PRO  44           HD3      PRO  44  29.278  -1.043 -15.577
  344    H    THR  45           H        THR  45  28.044   1.565 -18.714
  345    HA   THR  45           HA       THR  45  27.337   4.259 -19.101
  346    HB   THR  45           HB       THR  45  26.965   1.929 -20.925
  347    HG1  THR  45           HG1      THR  45  29.088   2.246 -21.493
  348   HG21  THR  45          HG21      THR  45  25.892   3.920 -21.876
  349   HG22  THR  45          HG22      THR  45  27.354   4.888 -21.559
  350   HG23  THR  45          HG23      THR  45  27.376   3.573 -22.762
  351    H    ALA  46           H        ALA  46  25.318   1.561 -18.131
  352    HA   ALA  46           HA       ALA  46  22.802   2.588 -19.122
  353    HB1  ALA  46           HB1      ALA  46  23.291   0.939 -16.580
  354    HB2  ALA  46           HB2      ALA  46  21.773   1.145 -17.417
  355    HB3  ALA  46           HB3      ALA  46  23.057   0.228 -18.215
  356    H    ILE  47           H        ILE  47  24.675   2.986 -16.092
  357    HA   ILE  47           HA       ILE  47  22.654   4.473 -14.780
  358    HB   ILE  47           HB       ILE  47  25.697   4.658 -14.522
  359   HG12  ILE  47          HG12      ILE  47  23.868   3.155 -12.639
  360   HG13  ILE  47          HG13      ILE  47  24.540   2.391 -14.079
  361   HG21  ILE  47          HG21      ILE  47  23.512   5.642 -12.618
  362   HG22  ILE  47          HG22      ILE  47  25.228   5.575 -12.199
  363   HG23  ILE  47          HG23      ILE  47  24.679   6.650 -13.482
  364   HD11  ILE  47          HD11      ILE  47  26.809   2.721 -13.324
  365   HD12  ILE  47          HD12      ILE  47  26.264   3.648 -11.915
  366   HD13  ILE  47          HD13      ILE  47  25.869   1.929 -12.038
  367    H    ALA  48           H        ALA  48  25.326   5.576 -16.917
  368    HA   ALA  48           HA       ALA  48  24.772   8.331 -16.629
  369    HB1  ALA  48           HB1      ALA  48  25.929   6.874 -19.074
  370    HB2  ALA  48           HB2      ALA  48  26.040   8.610 -18.757
  371    HB3  ALA  48           HB3      ALA  48  26.866   7.470 -17.677
  372    H    MET  49           H        MET  49  23.508   5.987 -19.058
  373    HA   MET  49           HA       MET  49  21.915   7.923 -20.475
  374    HB2  MET  49           HB2      MET  49  21.747   4.883 -20.193
  375    HB3  MET  49           HB3      MET  49  20.769   5.814 -21.334
  376    HG2  MET  49           HG2      MET  49  23.823   5.824 -21.273
  377    HG3  MET  49           HG3      MET  49  22.871   4.807 -22.316
  378    HE1  MET  49           HE1      MET  49  24.516   8.136 -21.774
  379    HE2  MET  49           HE2      MET  49  25.194   7.010 -22.985
  380    HE3  MET  49           HE3      MET  49  24.586   8.602 -23.492
  381    H    MET  50           H        MET  50  21.364   5.917 -17.625
  382    HA   MET  50           HA       MET  50  18.510   6.272 -17.647
  383    HB2  MET  50           HB2      MET  50  20.367   5.092 -15.582
  384    HB3  MET  50           HB3      MET  50  18.611   5.082 -15.477
  385    HG2  MET  50           HG2      MET  50  20.276   3.160 -16.683
  386    HG3  MET  50           HG3      MET  50  18.547   3.150 -16.608
  387    HE1  MET  50           HE1      MET  50  19.746   1.851 -20.213
  388    HE2  MET  50           HE2      MET  50  19.845   1.398 -18.492
  389    HE3  MET  50           HE3      MET  50  18.271   1.647 -19.264
  390    H    GLU  51           H        GLU  51  21.314   7.791 -16.022
  391    HA   GLU  51           HA       GLU  51  19.706   9.559 -14.464
  392    HB2  GLU  51           HB2      GLU  51  22.644   9.483 -15.218
  393    HB3  GLU  51           HB3      GLU  51  21.926  10.874 -14.391
  394    HG2  GLU  51           HG2      GLU  51  21.075   9.310 -12.611
  395    HG3  GLU  51           HG3      GLU  51  22.039   8.028 -13.339
  396    H    GLU  52           H        GLU  52  20.720   9.470 -17.840
  397    HA   GLU  52           HA       GLU  52  20.141  12.245 -18.281
  398    HB2  GLU  52           HB2      GLU  52  20.459   9.938 -20.206
  399    HB3  GLU  52           HB3      GLU  52  19.911  11.514 -20.740
  400    HG2  GLU  52           HG2      GLU  52  22.472  11.165 -19.147
  401    HG3  GLU  52           HG3      GLU  52  22.415  11.016 -20.903
  402    H    VAL  53           H        VAL  53  18.163   9.328 -18.069
  403    HA   VAL  53           HA       VAL  53  15.775  11.016 -18.628
  404    HB   VAL  53           HB       VAL  53  15.937   8.809 -19.691
  405   HG11  VAL  53          HG11      VAL  53  16.792   7.362 -18.016
  406   HG12  VAL  53          HG12      VAL  53  15.472   7.733 -16.889
  407   HG13  VAL  53          HG13      VAL  53  15.154   6.809 -18.369
  408   HG21  VAL  53          HG21      VAL  53  13.807  10.049 -19.452
  409   HG22  VAL  53          HG22      VAL  53  13.610   8.298 -19.546
  410   HG23  VAL  53          HG23      VAL  53  13.456   9.114 -17.984
  411    H    GLY  54           H        GLY  54  17.771  10.935 -16.158
  412    HA2  GLY  54           HA2      GLY  54  17.532  11.943 -14.138
  413    HA3  GLY  54           HA3      GLY  54  15.782  11.990 -14.361
  414    H    ILE  55           H        ILE  55  17.415   8.868 -14.607
  415    HA   ILE  55           HA       ILE  55  16.146   8.049 -12.043
  416    HB   ILE  55           HB       ILE  55  16.449   6.608 -14.624
  417   HG12  ILE  55          HG12      ILE  55  14.095   7.802 -13.130
  418   HG13  ILE  55          HG13      ILE  55  14.642   8.174 -14.757
  419   HG21  ILE  55          HG21      ILE  55  16.764   5.026 -12.726
  420   HG22  ILE  55          HG22      ILE  55  15.213   5.562 -12.043
  421   HG23  ILE  55          HG23      ILE  55  15.301   4.704 -13.606
  422   HD11  ILE  55          HD11      ILE  55  13.250   5.656 -13.810
  423   HD12  ILE  55          HD12      ILE  55  12.637   6.882 -14.937
  424   HD13  ILE  55          HD13      ILE  55  13.962   5.821 -15.443
  425    H    ASP  56           H        ASP  56  17.336   7.032 -10.532
  426    HA   ASP  56           HA       ASP  56  20.170   6.322 -11.078
  427    HB2  ASP  56           HB2      ASP  56  19.994   7.444  -9.018
  428    HB3  ASP  56           HB3      ASP  56  18.505   6.600  -8.576
  429    H    ILE  57           H        ILE  57  20.822   4.229 -11.126
  430    HA   ILE  57           HA       ILE  57  18.925   2.041 -10.478
  431    HB   ILE  57           HB       ILE  57  19.773   0.740 -12.453
  432   HG12  ILE  57          HG12      ILE  57  20.468   3.410 -13.751
  433   HG13  ILE  57          HG13      ILE  57  21.703   2.504 -12.903
  434   HG21  ILE  57          HG21      ILE  57  18.193   3.258 -13.156
  435   HG22  ILE  57          HG22      ILE  57  18.178   1.712 -14.015
  436   HG23  ILE  57          HG23      ILE  57  17.526   1.813 -12.371
  437   HD11  ILE  57          HD11      ILE  57  21.746   2.003 -15.255
  438   HD12  ILE  57          HD12      ILE  57  21.361   0.550 -14.332
  439   HD13  ILE  57          HD13      ILE  57  20.077   1.401 -15.223
  440    H    SER  58           H        SER  58  22.272   3.129 -10.936
  441    HA   SER  58           HA       SER  58  23.922   1.291  -9.943
  442    HB2  SER  58           HB2      SER  58  24.500   3.671  -8.484
  443    HB3  SER  58           HB3      SER  58  25.153   3.175 -10.038
  444    HG   SER  58           HG       SER  58  22.865   4.803  -9.545
  445    H    GLY  59           H        GLY  59  21.668   3.152  -7.871
  446    HA2  GLY  59           HA2      GLY  59  22.699   2.278  -5.390
  447    HA3  GLY  59           HA3      GLY  59  21.121   3.017  -5.669
  448    H    GLN  60           H        GLN  60  21.128   0.197  -7.531
  449    HA   GLN  60           HA       GLN  60  19.205  -1.116  -5.954
  450    HB2  GLN  60           HB2      GLN  60  20.955  -1.838  -8.311
  451    HB3  GLN  60           HB3      GLN  60  20.203  -3.164  -7.438
  452    HG2  GLN  60           HG2      GLN  60  17.965  -2.125  -7.731
  453    HG3  GLN  60           HG3      GLN  60  18.714  -0.844  -8.704
  454   HE21  GLN  60          HE22      GLN  60  19.350  -1.340 -10.858
  455   HE22  GLN  60          HE21      GLN  60  19.162  -2.968 -11.549
  456    H    THR  61           H        THR  61  22.735  -1.495  -5.830
  457    HA   THR  61           HA       THR  61  22.769  -4.143  -4.972
  458    HB   THR  61           HB       THR  61  25.101  -3.278  -3.961
  459    HG1  THR  61           HG1      THR  61  24.759  -1.081  -4.271
  460   HG21  THR  61          HG21      THR  61  26.083  -3.697  -6.107
  461   HG22  THR  61          HG22      THR  61  24.728  -4.803  -5.919
  462   HG23  THR  61          HG23      THR  61  24.543  -3.368  -6.953
  463    H    SER  62           H        SER  62  22.209  -5.149  -3.229
  464    HA   SER  62           HA       SER  62  21.929  -3.964  -0.574
  465    HB2  SER  62           HB2      SER  62  19.614  -5.012  -2.295
  466    HB3  SER  62           HB3      SER  62  19.496  -4.539  -0.590
  467    HG   SER  62           HG       SER  62  19.895  -2.953  -2.887
  468    H    ASP  63           H        ASP  63  20.445  -6.061   0.493
  469    HA   ASP  63           HA       ASP  63  22.093  -8.388   0.473
  470    HB2  ASP  63           HB2      ASP  63  19.292  -7.721   1.370
  471    HB3  ASP  63           HB3      ASP  63  19.827  -9.400   1.348
  472    HA   PRO  64           HA       PRO  64  20.497 -10.538  -3.185
  473    HB2  PRO  64           HB2      PRO  64  20.639 -13.158  -2.418
  474    HB3  PRO  64           HB3      PRO  64  22.097 -12.183  -2.766
  475    HG2  PRO  64           HG2      PRO  64  20.849 -12.728  -0.031
  476    HG3  PRO  64           HG3      PRO  64  22.560 -12.932  -0.526
  477    HD2  PRO  64           HD2      PRO  64  21.703 -10.693   0.726
  478    HD3  PRO  64           HD3      PRO  64  22.907 -10.584  -0.591
  479    H    ILE  65           H        ILE  65  18.548 -11.678  -3.870
  480    HA   ILE  65           HA       ILE  65  16.249 -10.998  -2.431
  481    HB   ILE  65           HB       ILE  65  16.546 -11.559  -4.907
  482   HG12  ILE  65          HG12      ILE  65  14.142 -12.751  -3.529
  483   HG13  ILE  65          HG13      ILE  65  14.377 -11.030  -3.766
  484   HG21  ILE  65          HG21      ILE  65  16.181 -13.780  -5.688
  485   HG22  ILE  65          HG22      ILE  65  17.496 -13.867  -4.497
  486   HG23  ILE  65          HG23      ILE  65  15.858 -14.400  -4.062
  487   HD11  ILE  65          HD11      ILE  65  14.012 -13.111  -5.964
  488   HD12  ILE  65          HD12      ILE  65  12.886 -11.835  -5.486
  489   HD13  ILE  65          HD13      ILE  65  14.405 -11.393  -6.238
  490    H    GLU  66           H        GLU  66  18.268 -13.805  -2.115
  491    HA   GLU  66           HA       GLU  66  16.389 -15.643  -1.082
  492    HB2  GLU  66           HB2      GLU  66  19.339 -15.568  -0.324
  493    HB3  GLU  66           HB3      GLU  66  18.297 -16.987  -0.492
  494    HG2  GLU  66           HG2      GLU  66  18.150 -16.446  -2.972
  495    HG3  GLU  66           HG3      GLU  66  19.342 -15.165  -2.681
  496    H    ASN  67           H        ASN  67  18.139 -13.016   0.259
  497    HA   ASN  67           HA       ASN  67  18.023 -13.613   3.060
  498    HB2  ASN  67           HB2      ASN  67  19.443 -11.837   1.761
  499    HB3  ASN  67           HB3      ASN  67  17.998 -10.825   1.859
  500   HD21  ASN  67          HD22      ASN  67  20.516 -12.520   3.715
  501   HD22  ASN  67          HD21      ASN  67  20.292 -11.631   5.201
  502    H    PHE  68           H        PHE  68  15.656 -12.443   0.768
  503    HA   PHE  68           HA       PHE  68  13.854 -11.307   2.832
  504    HB2  PHE  68           HB2      PHE  68  13.837 -11.249  -0.223
  505    HB3  PHE  68           HB3      PHE  68  12.567 -10.583   0.782
  506    HD1  PHE  68           HD2      PHE  68  12.869  -8.639   2.123
  507    HD2  PHE  68           HD1      PHE  68  16.025 -10.129  -0.370
  508    HE1  PHE  68           HE2      PHE  68  14.063  -6.432   2.323
  509    HE2  PHE  68           HE1      PHE  68  17.227  -7.947  -0.192
  510    HZ   PHE  68           HZ       PHE  68  16.242  -6.100   1.160
  511    H    ASN  69           H        ASN  69  11.487 -11.839   2.492
  512    HA   ASN  69           HA       ASN  69  11.079 -14.481   1.417
  513    HB2  ASN  69           HB2      ASN  69   9.224 -14.755   2.886
  514    HB3  ASN  69           HB3      ASN  69  10.698 -14.403   3.840
  515   HD21  ASN  69          HD22      ASN  69   7.573 -13.977   4.278
  516   HD22  ASN  69          HD21      ASN  69   7.522 -12.335   4.855
  517    H    ALA  70           H        ALA  70   9.253 -14.825   0.034
  518    HA   ALA  70           HA       ALA  70   8.828 -12.403  -1.414
  519    HB1  ALA  70           HB1      ALA  70   9.348 -14.595  -2.531
  520    HB2  ALA  70           HB2      ALA  70   7.788 -15.211  -1.965
  521    HB3  ALA  70           HB3      ALA  70   7.851 -13.858  -3.122
  522    H    ASP  71           H        ASP  71   7.171 -14.337   0.922
  523    HA   ASP  71           HA       ASP  71   4.581 -13.697   0.232
  524    HB2  ASP  71           HB2      ASP  71   5.120 -15.478   1.820
  525    HB3  ASP  71           HB3      ASP  71   5.760 -14.300   2.967
  526    H    ASP  72           H        ASP  72   7.039 -11.663   1.665
  527    HA   ASP  72           HA       ASP  72   5.257  -9.746   2.883
  528    HB2  ASP  72           HB2      ASP  72   7.589 -10.088   3.638
  529    HB3  ASP  72           HB3      ASP  72   8.157  -9.545   2.048
  530    H    TYR  73           H        TYR  73   6.557 -10.383  -0.262
  531    HA   TYR  73           HA       TYR  73   6.098  -7.718  -1.339
  532    HB2  TYR  73           HB2      TYR  73   7.469 -10.217  -2.354
  533    HB3  TYR  73           HB3      TYR  73   7.026  -8.925  -3.461
  534    HD1  TYR  73           HD2      TYR  73   8.899  -9.552  -0.256
  535    HD2  TYR  73           HD1      TYR  73   8.397  -6.998  -3.701
  536    HE1  TYR  73           HE2      TYR  73  10.648  -8.052   0.613
  537    HE2  TYR  73           HE1      TYR  73  10.149  -5.482  -2.836
  538    HH   TYR  73           HH       TYR  73  11.778  -6.041   0.342
  539    H    ASP  74           H        ASP  74   5.051  -7.715  -3.626
  540    HA   ASP  74           HA       ASP  74   2.552  -9.379  -3.554
  541    HB2  ASP  74           HB2      ASP  74   2.039  -7.074  -2.947
  542    HB3  ASP  74           HB3      ASP  74   2.853  -6.488  -4.404
  543    H    VAL  75           H        VAL  75   5.082  -7.787  -5.594
  544    HA   VAL  75           HA       VAL  75   4.282  -9.578  -7.801
  545    HB   VAL  75           HB       VAL  75   3.023  -7.705  -8.267
  546   HG11  VAL  75          HG11      VAL  75   5.097  -5.791  -7.348
  547   HG12  VAL  75          HG12      VAL  75   3.601  -5.368  -8.179
  548   HG13  VAL  75          HG13      VAL  75   3.538  -6.116  -6.592
  549   HG21  VAL  75          HG21      VAL  75   5.621  -7.069  -9.705
  550   HG22  VAL  75          HG22      VAL  75   4.482  -8.321 -10.183
  551   HG23  VAL  75          HG23      VAL  75   3.979  -6.618 -10.212
  552    H    VAL  76           H        VAL  76   5.923 -10.229  -9.125
  553    HA   VAL  76           HA       VAL  76   8.635  -9.162  -8.643
  554    HB   VAL  76           HB       VAL  76   7.715 -12.015  -8.277
  555   HG11  VAL  76          HG11      VAL  76  10.561 -10.899  -8.048
  556   HG12  VAL  76          HG12      VAL  76  10.065 -12.542  -7.641
  557   HG13  VAL  76          HG13      VAL  76   9.955 -11.989  -9.309
  558   HG21  VAL  76          HG21      VAL  76   7.275 -10.573  -6.228
  559   HG22  VAL  76          HG22      VAL  76   8.291 -11.946  -5.973
  560   HG23  VAL  76          HG23      VAL  76   9.029 -10.328  -6.087
  561    H    ILE  77           H        ILE  77   9.581  -8.955 -10.578
  562    HA   ILE  77           HA       ILE  77   8.546 -10.467 -12.913
  563    HB   ILE  77           HB       ILE  77  10.538  -8.230 -13.009
  564   HG12  ILE  77          HG12      ILE  77   8.871  -7.021 -11.867
  565   HG13  ILE  77          HG13      ILE  77   8.742  -6.604 -13.562
  566   HG21  ILE  77          HG21      ILE  77  10.062  -9.685 -15.016
  567   HG22  ILE  77          HG22      ILE  77   8.455  -8.941 -15.085
  568   HG23  ILE  77          HG23      ILE  77   9.916  -7.944 -15.246
  569   HD11  ILE  77          HD11      ILE  77   6.694  -7.643 -13.849
  570   HD12  ILE  77          HD12      ILE  77   6.837  -8.592 -12.337
  571   HD13  ILE  77          HD13      ILE  77   6.605  -6.842 -12.273
  572    H    SER  78           H        SER  78   9.907 -12.109 -13.658
  573    HA   SER  78           HA       SER  78  12.507 -12.423 -12.347
  574    HB2  SER  78           HB2      SER  78  10.929 -14.208 -14.223
  575    HB3  SER  78           HB3      SER  78  12.440 -14.662 -13.392
  576    HG   SER  78           HG       SER  78  10.776 -15.364 -12.098
  577    H    LEU  79           H        LEU  79  11.373 -11.233 -15.354
  578    HA   LEU  79           HA       LEU  79  12.321 -10.341 -17.156
  579    HB2  LEU  79           HB2      LEU  79  14.444  -9.892 -15.046
  580    HB3  LEU  79           HB3      LEU  79  14.722  -9.344 -16.690
  581    HG   LEU  79           HG       LEU  79  12.439  -8.444 -14.919
  582   HD11  LEU  79          HD11      LEU  79  13.699  -6.280 -14.984
  583   HD12  LEU  79          HD12      LEU  79  14.647  -7.575 -14.215
  584   HD13  LEU  79          HD13      LEU  79  14.991  -7.067 -15.891
  585   HD21  LEU  79          HD21      LEU  79  12.106  -6.694 -16.682
  586   HD22  LEU  79          HD22      LEU  79  13.275  -7.549 -17.718
  587   HD23  LEU  79          HD23      LEU  79  11.728  -8.316 -17.273
  588    H    CYS  80           H        CYS  80  13.896 -13.288 -16.288
  589    HA   CYS  80           HA       CYS  80  14.852 -13.410 -19.068
  590    HB2  CYS  80           HB2      CYS  80  17.139 -14.064 -18.370
  591    HB3  CYS  80           HB3      CYS  80  16.728 -12.420 -17.925
  592    H    GLY  81           H        GLY  81  12.703 -14.738 -17.745
  593    HA2  GLY  81           HA2      GLY  81  12.232 -17.048 -18.631
  594    HA3  GLY  81           HA3      GLY  81  13.607 -17.595 -17.669
  595    H    SER  82           H        SER  82  11.893 -19.005 -16.753
  596    HA   SER  82           HA       SER  82  10.263 -17.716 -14.626
  597    HB2  SER  82           HB2      SER  82   9.244 -20.057 -14.561
  598    HB3  SER  82           HB3      SER  82   8.929 -19.076 -16.003
  599    HG   SER  82           HG       SER  82   9.537 -21.221 -16.562
  600    H    GLY  83           H        GLY  83  12.448 -20.543 -15.124
  601    HA2  GLY  83           HA2      GLY  83  12.745 -21.189 -12.408
  602    HA3  GLY  83           HA3      GLY  83  13.863 -21.652 -13.708
  603    H    VAL  84           H        VAL  84  15.084 -19.456 -14.516
  604    HA   VAL  84           HA       VAL  84  16.689 -17.960 -14.150
  605    HB   VAL  84           HB       VAL  84  14.548 -16.985 -12.379
  606   HG11  VAL  84          HG11      VAL  84  15.388 -14.655 -12.787
  607   HG12  VAL  84          HG12      VAL  84  16.401 -15.578 -11.691
  608   HG13  VAL  84          HG13      VAL  84  16.909 -15.370 -13.385
  609   HG21  VAL  84          HG21      VAL  84  15.361 -16.454 -15.261
  610   HG22  VAL  84          HG22      VAL  84  13.903 -17.299 -14.690
  611   HG23  VAL  84          HG23      VAL  84  14.079 -15.571 -14.425
  612    H    ASN  85           H        ASN  85  16.630 -20.337 -12.039
  613    HA   ASN  85           HA       ASN  85  17.886 -21.132 -10.359
  614    HB2  ASN  85           HB2      ASN  85  19.878 -20.585 -11.749
  615    HB3  ASN  85           HB3      ASN  85  19.953 -18.998 -10.963
  616   HD21  ASN  85          HD22      ASN  85  21.974 -19.320  -9.918
  617   HD22  ASN  85          HD21      ASN  85  22.201 -20.527  -8.663
  618    H    LEU  86           H        LEU  86  15.781 -19.671  -9.841
  619    HA   LEU  86           HA       LEU  86  16.377 -17.815  -7.613
  620    HB2  LEU  86           HB2      LEU  86  15.732 -16.484  -9.398
  621    HB3  LEU  86           HB3      LEU  86  14.700 -17.665 -10.098
  622    HG   LEU  86           HG       LEU  86  13.834 -16.528  -7.465
  623   HD11  LEU  86          HD11      LEU  86  12.769 -14.611  -8.659
  624   HD12  LEU  86          HD12      LEU  86  14.531 -14.527  -8.704
  625   HD13  LEU  86          HD13      LEU  86  13.635 -15.067 -10.140
  626   HD21  LEU  86          HD21      LEU  86  11.600 -16.758  -8.702
  627   HD22  LEU  86          HD22      LEU  86  12.489 -17.338 -10.125
  628   HD23  LEU  86          HD23      LEU  86  12.473 -18.293  -8.649
  629    HA   PRO  87           HA       PRO  87  13.926 -20.753  -5.441
  630    HB2  PRO  87           HB2      PRO  87  13.010 -18.616  -3.541
  631    HB3  PRO  87           HB3      PRO  87  13.810 -20.168  -3.197
  632    HG2  PRO  87           HG2      PRO  87  15.192 -17.806  -3.112
  633    HG3  PRO  87           HG3      PRO  87  15.942 -19.308  -3.732
  634    HD2  PRO  87           HD2      PRO  87  14.798 -17.000  -5.313
  635    HD3  PRO  87           HD3      PRO  87  16.290 -17.947  -5.571
  636    HA   PRO  88           HA       PRO  88  10.141 -20.402  -7.458
  637    HB2  PRO  88           HB2      PRO  88   8.475 -22.259  -6.234
  638    HB3  PRO  88           HB3      PRO  88   9.865 -22.676  -7.283
  639    HG2  PRO  88           HG2      PRO  88   9.802 -22.518  -4.251
  640    HG3  PRO  88           HG3      PRO  88  10.461 -23.831  -5.278
  641    HD2  PRO  88           HD2      PRO  88  12.084 -21.933  -4.232
  642    HD3  PRO  88           HD3      PRO  88  12.339 -22.517  -5.906
  643    H    GLU  89           H        GLU  89   9.809 -19.881  -3.932
  644    HA   GLU  89           HA       GLU  89   7.166 -18.951  -3.951
  645    HB2  GLU  89           HB2      GLU  89   7.684 -17.802  -1.890
  646    HB3  GLU  89           HB3      GLU  89   8.427 -19.401  -1.907
  647    HG2  GLU  89           HG2      GLU  89  10.628 -18.384  -2.418
  648    HG3  GLU  89           HG3      GLU  89   9.894 -16.785  -2.472
  649    H    TRP  90           H        TRP  90   9.907 -17.475  -5.431
  650    HA   TRP  90           HA       TRP  90   8.933 -14.751  -5.246
  651    HB2  TRP  90           HB2      TRP  90  11.201 -16.145  -6.650
  652    HB3  TRP  90           HB3      TRP  90  10.897 -14.422  -6.858
  653    HD1  TRP  90           HD1      TRP  90  12.626 -16.752  -4.568
  654    HE1  TRP  90           HE1      TRP  90  13.253 -15.655  -2.321
  655    HE3  TRP  90           HE3      TRP  90  10.137 -12.408  -5.153
  656    HZ2  TRP  90           HZ2      TRP  90  12.585 -13.181  -0.918
  657    HZ3  TRP  90           HZ3      TRP  90  10.048 -10.695  -3.367
  658    HH2  TRP  90           HH2      TRP  90  11.268 -11.062  -1.250
  659    H    VAL  91           H        VAL  91   8.844 -17.310  -7.738
  660    HA   VAL  91           HA       VAL  91   7.595 -15.492  -9.636
  661    HB   VAL  91           HB       VAL  91   7.078 -17.648 -10.863
  662   HG11  VAL  91          HG11      VAL  91   9.305 -17.716 -11.829
  663   HG12  VAL  91          HG12      VAL  91   8.858 -16.052 -11.440
  664   HG13  VAL  91          HG13      VAL  91   9.993 -16.925 -10.392
  665   HG21  VAL  91          HG21      VAL  91   8.477 -19.593 -10.465
  666   HG22  VAL  91          HG22      VAL  91   9.166 -18.863  -9.009
  667   HG23  VAL  91          HG23      VAL  91   7.444 -19.315  -9.069
  668    H    THR  92           H        THR  92   6.463 -17.800  -7.098
  669    HA   THR  92           HA       THR  92   3.837 -17.697  -8.221
  670    HB   THR  92           HB       THR  92   3.290 -19.201  -6.309
  671    HG1  THR  92           HG1      THR  92   4.476 -18.534  -4.605
  672   HG21  THR  92          HG21      THR  92   4.768 -21.012  -6.871
  673   HG22  THR  92          HG22      THR  92   4.494 -20.050  -8.349
  674   HG23  THR  92          HG23      THR  92   6.014 -19.887  -7.447
  675    H    GLN  93           H        GLN  93   4.834 -15.050  -7.363
  676    HA   GLN  93           HA       GLN  93   3.041 -14.381  -5.198
  677    HB2  GLN  93           HB2      GLN  93   4.842 -12.623  -6.940
  678    HB3  GLN  93           HB3      GLN  93   3.787 -12.003  -5.682
  679    HG2  GLN  93           HG2      GLN  93   6.110 -13.906  -5.272
  680    HG3  GLN  93           HG3      GLN  93   5.984 -12.242  -4.713
  681   HE21  GLN  93          HE22      GLN  93   5.918 -15.319  -3.539
  682   HE22  GLN  93          HE21      GLN  93   4.760 -15.133  -2.230
  683    H    GLU  94           H        GLU  94   1.654 -12.146  -5.901
  684    HA   GLU  94           HA       GLU  94  -0.564 -13.462  -7.044
  685    HB2  GLU  94           HB2      GLU  94  -0.063 -10.498  -6.544
  686    HB3  GLU  94           HB3      GLU  94  -1.631 -11.181  -6.960
  687    HG2  GLU  94           HG2      GLU  94  -0.027 -11.863  -4.457
  688    HG3  GLU  94           HG3      GLU  94  -1.415 -10.788  -4.536
  689    H    ILE  95           H        ILE  95   1.982 -11.742  -8.632
  690    HA   ILE  95           HA       ILE  95   0.808 -12.360 -11.238
  691    HB   ILE  95           HB       ILE  95   0.140 -10.153 -11.231
  692   HG12  ILE  95          HG12      ILE  95   2.991  -9.871 -12.265
  693   HG13  ILE  95          HG13      ILE  95   1.693 -10.698 -13.135
  694   HG21  ILE  95          HG21      ILE  95   1.555  -8.224 -10.336
  695   HG22  ILE  95          HG22      ILE  95   0.915  -9.325  -9.135
  696   HG23  ILE  95          HG23      ILE  95   2.609  -9.467  -9.637
  697   HD11  ILE  95          HD11      ILE  95   0.403  -8.571 -13.217
  698   HD12  ILE  95          HD12      ILE  95   1.758  -7.723 -12.437
  699   HD13  ILE  95          HD13      ILE  95   1.986  -8.453 -14.014
  700    H    PHE  96           H        PHE  96   2.271 -13.498 -12.311
  701    HA   PHE  96           HA       PHE  96   5.153 -13.341 -11.598
  702    HB2  PHE  96           HB2      PHE  96   4.561 -15.592 -11.613
  703    HB3  PHE  96           HB3      PHE  96   3.458 -15.421 -12.972
  704    HD1  PHE  96           HD1      PHE  96   7.120 -14.630 -12.371
  705    HD2  PHE  96           HD2      PHE  96   4.183 -16.573 -14.873
  706    HE1  PHE  96           HE1      PHE  96   8.896 -15.278 -13.971
  707    HE2  PHE  96           HE2      PHE  96   5.974 -17.237 -16.453
  708    HZ   PHE  96           HZ       PHE  96   8.333 -16.579 -16.013
  709    H    GLU  97           H        GLU  97   6.453 -12.230 -13.196
  710    HA   GLU  97           HA       GLU  97   5.453 -12.007 -15.950
  711    HB2  GLU  97           HB2      GLU  97   6.231  -9.710 -14.187
  712    HB3  GLU  97           HB3      GLU  97   6.358  -9.575 -15.937
  713    HG2  GLU  97           HG2      GLU  97   3.735 -10.186 -14.533
  714    HG3  GLU  97           HG3      GLU  97   4.328  -8.564 -14.824
  715    H    ASP  98           H        ASP  98   7.186 -11.225 -17.365
  716    HA   ASP  98           HA       ASP  98   9.902 -11.627 -16.952
  717    HB2  ASP  98           HB2      ASP  98   9.499 -13.944 -16.295
  718    HB3  ASP  98           HB3      ASP  98   8.338 -14.168 -17.618
  719    H    TRP  99           H        TRP  99  10.888 -11.177 -19.004
  720    HA   TRP  99           HA       TRP  99   9.175 -11.119 -21.386
  721    HB2  TRP  99           HB2      TRP  99  10.382  -8.571 -20.225
  722    HB3  TRP  99           HB3      TRP  99   9.522  -8.700 -21.753
  723    HD1  TRP  99           HD1      TRP  99   6.808  -9.850 -21.176
  724    HE1  TRP  99           HE1      TRP  99   5.154  -8.970 -19.426
  725    HE3  TRP  99           HE3      TRP  99  10.029  -7.134 -18.309
  726    HZ2  TRP  99           HZ2      TRP  99   5.180  -7.158 -17.183
  727    HZ3  TRP  99           HZ3      TRP  99   9.210  -5.963 -16.304
  728    HH2  TRP  99           HH2      TRP  99   6.807  -5.905 -15.744
  729    H    GLN 100           H        GLN 100  10.405 -10.790 -23.303
  730    HA   GLN 100           HA       GLN 100  13.264 -11.401 -23.105
  731    HB2  GLN 100           HB2      GLN 100  13.168 -11.520 -25.563
  732    HB3  GLN 100           HB3      GLN 100  12.051 -12.607 -24.749
  733    HG2  GLN 100           HG2      GLN 100  10.145 -11.163 -25.284
  734    HG3  GLN 100           HG3      GLN 100  11.209  -9.949 -25.997
  735   HE21  GLN 100          HE22      GLN 100  12.453 -10.592 -27.999
  736   HE22  GLN 100          HE21      GLN 100  11.761 -11.813 -29.048
  737    H    LEU 101           H        LEU 101  13.056  -9.176 -21.742
  738    HA   LEU 101           HA       LEU 101  13.205  -6.729 -23.306
  739    HB2  LEU 101           HB2      LEU 101  13.252  -7.463 -20.467
  740    HB3  LEU 101           HB3      LEU 101  14.603  -6.398 -20.832
  741    HG   LEU 101           HG       LEU 101  11.731  -5.741 -21.578
  742   HD11  LEU 101          HD11      LEU 101  11.772  -4.218 -19.647
  743   HD12  LEU 101          HD12      LEU 101  11.936  -5.907 -19.165
  744   HD13  LEU 101          HD13      LEU 101  13.373  -4.871 -19.176
  745   HD21  LEU 101          HD21      LEU 101  12.589  -3.476 -21.883
  746   HD22  LEU 101          HD22      LEU 101  14.258  -4.067 -21.583
  747   HD23  LEU 101          HD23      LEU 101  13.347  -4.587 -23.008
  748    H    GLU 102           H        GLU 102  14.824  -6.121 -24.533
  749    HA   GLU 102           HA       GLU 102  17.331  -7.513 -24.550
  750    HB2  GLU 102           HB2      GLU 102  17.902  -6.252 -26.462
  751    HB3  GLU 102           HB3      GLU 102  16.229  -6.791 -26.598
  752    HG2  GLU 102           HG2      GLU 102  15.666  -4.448 -25.562
  753    HG3  GLU 102           HG3      GLU 102  17.314  -4.040 -26.072
  754    H    ASP 103           H        ASP 103  19.467  -6.204 -24.357
  755    HA   ASP 103           HA       ASP 103  19.283  -4.339 -22.116
  756    HB2  ASP 103           HB2      ASP 103  19.468  -6.619 -21.209
  757    HB3  ASP 103           HB3      ASP 103  20.936  -6.886 -22.160
  758    HA   PRO 104           HA       PRO 104  22.331  -2.555 -24.764
  759    HB2  PRO 104           HB2      PRO 104  22.807  -0.245 -23.601
  760    HB3  PRO 104           HB3      PRO 104  21.140  -0.696 -24.048
  761    HG2  PRO 104           HG2      PRO 104  22.435  -1.002 -21.305
  762    HG3  PRO 104           HG3      PRO 104  20.883  -0.191 -21.702
  763    HD2  PRO 104           HD2      PRO 104  21.024  -2.811 -20.906
  764    HD3  PRO 104           HD3      PRO 104  19.811  -2.226 -22.075
  765    H    ASP 105           H        ASP 105  23.423  -4.211 -22.033
  766    HA   ASP 105           HA       ASP 105  25.872  -3.221 -21.281
  767    HB2  ASP 105           HB2      ASP 105  25.078  -5.171 -20.229
  768    HB3  ASP 105           HB3      ASP 105  24.877  -6.032 -21.759
  769    H    GLY 106           H        GLY 106  27.429  -2.386 -22.506
  770    HA2  GLY 106           HA2      GLY 106  29.214  -2.287 -23.918
  771    HA3  GLY 106           HA3      GLY 106  29.034  -4.021 -24.216
  772    H    GLN 107           H        GLN 107  26.135  -2.325 -24.972
  773    HA   GLN 107           HA       GLN 107  26.660  -2.688 -27.862
  774    HB2  GLN 107           HB2      GLN 107  24.035  -2.049 -26.477
  775    HB3  GLN 107           HB3      GLN 107  24.293  -2.560 -28.142
  776    HG2  GLN 107           HG2      GLN 107  25.446  -4.657 -26.730
  777    HG3  GLN 107           HG3      GLN 107  24.129  -4.162 -25.668
  778   HE21  GLN 107          HE22      GLN 107  22.307  -5.430 -25.992
  779   HE22  GLN 107          HE21      GLN 107  21.830  -6.084 -27.545
  780    H    SER 108           H        SER 108  25.510  -0.974 -29.297
  781    HA   SER 108           HA       SER 108  26.751   1.550 -28.837
  782    HB2  SER 108           HB2      SER 108  24.723   0.709 -30.944
  783    HB3  SER 108           HB3      SER 108  25.842   2.086 -31.043
  784    HG   SER 108           HG       SER 108  26.642   0.234 -32.170
  785    H    LEU 109           H        LEU 109  25.534   3.661 -29.094
  786    HA   LEU 109           HA       LEU 109  23.814   4.134 -26.939
  787    HB2  LEU 109           HB2      LEU 109  24.463   5.714 -29.452
  788    HB3  LEU 109           HB3      LEU 109  23.279   6.305 -28.305
  789    HG   LEU 109           HG       LEU 109  25.410   7.359 -27.958
  790   HD11  LEU 109          HD11      LEU 109  24.823   5.559 -25.572
  791   HD12  LEU 109          HD12      LEU 109  25.584   7.156 -25.575
  792   HD13  LEU 109          HD13      LEU 109  23.877   6.995 -26.025
  793   HD21  LEU 109          HD21      LEU 109  26.930   5.536 -28.662
  794   HD22  LEU 109          HD22      LEU 109  27.378   6.235 -27.102
  795   HD23  LEU 109          HD23      LEU 109  26.567   4.662 -27.144
  796    H    GLU 110           H        GLU 110  22.934   3.334 -30.283
  797    HA   GLU 110           HA       GLU 110  20.192   3.957 -30.167
  798    HB2  GLU 110           HB2      GLU 110  19.952   2.038 -31.831
  799    HB3  GLU 110           HB3      GLU 110  21.036   3.363 -32.270
  800    HG2  GLU 110           HG2      GLU 110  22.981   1.975 -31.682
  801    HG3  GLU 110           HG3      GLU 110  21.915   0.659 -31.182
  802    H    VAL 111           H        VAL 111  21.911   1.189 -28.764
  803    HA   VAL 111           HA       VAL 111  19.461  -0.259 -28.246
  804    HB   VAL 111           HB       VAL 111  22.197  -0.806 -27.115
  805   HG11  VAL 111          HG11      VAL 111  21.428  -3.092 -26.893
  806   HG12  VAL 111          HG12      VAL 111  20.288  -2.036 -26.054
  807   HG13  VAL 111          HG13      VAL 111  19.868  -2.687 -27.651
  808   HG21  VAL 111          HG21      VAL 111  22.233  -2.499 -29.113
  809   HG22  VAL 111          HG22      VAL 111  20.961  -1.485 -29.818
  810   HG23  VAL 111          HG23      VAL 111  22.555  -0.799 -29.484
  811    H    PHE 112           H        PHE 112  21.728   1.742 -26.232
  812    HA   PHE 112           HA       PHE 112  20.221   1.575 -23.827
  813    HB2  PHE 112           HB2      PHE 112  21.831   3.889 -24.996
  814    HB3  PHE 112           HB3      PHE 112  21.123   3.898 -23.390
  815    HD1  PHE 112           HD1      PHE 112  21.917   2.342 -21.614
  816    HD2  PHE 112           HD2      PHE 112  23.887   2.611 -25.445
  817    HE1  PHE 112           HE1      PHE 112  23.852   1.067 -20.730
  818    HE2  PHE 112           HE2      PHE 112  25.825   1.395 -24.534
  819    HZ   PHE 112           HZ       PHE 112  25.806   0.571 -22.214
  820    H    ARG 113           H        ARG 113  19.860   3.895 -26.559
  821    HA   ARG 113           HA       ARG 113  17.612   5.296 -25.502
  822    HB2  ARG 113           HB2      ARG 113  18.544   4.776 -28.359
  823    HB3  ARG 113           HB3      ARG 113  17.239   5.898 -27.957
  824    HG2  ARG 113           HG2      ARG 113  18.677   7.373 -26.780
  825    HG3  ARG 113           HG3      ARG 113  19.988   6.190 -26.674
  826    HD2  ARG 113           HD2      ARG 113  20.323   6.276 -29.105
  827    HD3  ARG 113           HD3      ARG 113  19.010   7.473 -29.256
  828    HE   ARG 113           HE       ARG 113  20.870   8.450 -27.364
  829   HH11  ARG 113          HH11      ARG 113  20.735   7.829 -30.864
  830   HH12  ARG 113          HH12      ARG 113  21.933   9.009 -31.259
  831   HH21  ARG 113          HH21      ARG 113  22.452  10.034 -27.895
  832   HH22  ARG 113          HH22      ARG 113  22.921  10.291 -29.534
  833    H    THR 114           H        THR 114  17.701   2.342 -27.593
  834    HA   THR 114           HA       THR 114  14.914   2.016 -27.874
  835    HB   THR 114           HB       THR 114  17.402   0.288 -27.986
  836    HG1  THR 114           HG1      THR 114  17.243   1.554 -29.718
  837   HG21  THR 114          HG21      THR 114  16.095  -1.484 -29.064
  838   HG22  THR 114          HG22      THR 114  15.809  -1.295 -27.332
  839   HG23  THR 114          HG23      THR 114  14.598  -0.677 -28.488
  840    H    VAL 115           H        VAL 115  17.233   0.684 -25.395
  841    HA   VAL 115           HA       VAL 115  15.195  -0.870 -24.215
  842    HB   VAL 115           HB       VAL 115  17.970  -0.116 -23.254
  843   HG11  VAL 115          HG11      VAL 115  17.716  -1.996 -21.608
  844   HG12  VAL 115          HG12      VAL 115  16.608  -0.675 -21.239
  845   HG13  VAL 115          HG13      VAL 115  16.023  -2.155 -22.053
  846   HG21  VAL 115          HG21      VAL 115  16.766  -2.731 -24.268
  847   HG22  VAL 115          HG22      VAL 115  17.700  -1.637 -25.297
  848   HG23  VAL 115          HG23      VAL 115  18.483  -2.422 -23.927
  849    H    ARG 116           H        ARG 116  16.290   2.470 -23.476
  850    HA   ARG 116           HA       ARG 116  14.713   2.707 -21.115
  851    HB2  ARG 116           HB2      ARG 116  15.444   4.829 -23.202
  852    HB3  ARG 116           HB3      ARG 116  14.567   5.163 -21.700
  853    HG2  ARG 116           HG2      ARG 116  16.528   4.006 -20.484
  854    HG3  ARG 116           HG3      ARG 116  17.432   4.165 -21.979
  855    HD2  ARG 116           HD2      ARG 116  16.103   6.527 -20.566
  856    HD3  ARG 116           HD3      ARG 116  17.713   5.967 -20.169
  857    HE   ARG 116           HE       ARG 116  18.595   6.725 -22.137
  858   HH11  ARG 116          HH21      ARG 116  15.088   7.462 -22.158
  859   HH12  ARG 116          HH22      ARG 116  15.236   8.625 -23.419
  860   HH21  ARG 116          HH11      ARG 116  18.736   8.270 -23.812
  861   HH22  ARG 116          HH12      ARG 116  17.322   9.079 -24.377
  862    H    GLY 117           H        GLY 117  13.737   3.260 -24.547
  863    HA2  GLY 117           HA2      GLY 117  11.025   3.905 -23.989
  864    HA3  GLY 117           HA3      GLY 117  11.652   3.255 -25.513
  865    H    GLN 118           H        GLN 118  12.515   0.736 -24.888
  866    HA   GLN 118           HA       GLN 118  10.193  -0.851 -24.840
  867    HB2  GLN 118           HB2      GLN 118  13.084  -1.475 -24.104
  868    HB3  GLN 118           HB3      GLN 118  11.856  -2.719 -24.142
  869    HG2  GLN 118           HG2      GLN 118  12.312  -1.030 -26.615
  870    HG3  GLN 118           HG3      GLN 118  13.426  -2.322 -26.195
  871   HE21  GLN 118          HE22      GLN 118  12.957  -3.926 -27.718
  872   HE22  GLN 118          HE21      GLN 118  11.351  -4.601 -27.947
  873    H    VAL 119           H        VAL 119  12.506  -0.255 -22.213
  874    HA   VAL 119           HA       VAL 119  11.108  -1.863 -20.313
  875    HB   VAL 119           HB       VAL 119  13.152   0.377 -19.925
  876   HG11  VAL 119          HG11      VAL 119  12.069  -1.720 -17.997
  877   HG12  VAL 119          HG12      VAL 119  13.534  -0.744 -17.733
  878   HG13  VAL 119          HG13      VAL 119  11.949   0.051 -17.830
  879   HG21  VAL 119          HG21      VAL 119  14.775  -1.416 -19.662
  880   HG22  VAL 119          HG22      VAL 119  13.503  -2.652 -19.763
  881   HG23  VAL 119          HG23      VAL 119  13.926  -1.707 -21.188
  882    H    LYS 120           H        LYS 120  11.011   1.720 -20.914
  883    HA   LYS 120           HA       LYS 120   9.341   2.398 -18.760
  884    HB2  LYS 120           HB2      LYS 120  10.423   3.947 -20.455
  885    HB3  LYS 120           HB3      LYS 120   9.197   3.439 -21.642
  886    HG2  LYS 120           HG2      LYS 120   7.419   4.364 -20.247
  887    HG3  LYS 120           HG3      LYS 120   8.579   4.779 -18.968
  888    HD2  LYS 120           HD2      LYS 120   9.744   6.332 -20.457
  889    HD3  LYS 120           HD3      LYS 120   8.699   5.905 -21.814
  890    HE2  LYS 120           HE2      LYS 120   7.678   7.140 -19.208
  891    HE3  LYS 120           HE3      LYS 120   8.181   8.096 -20.609
  892    HZ1  LYS 120           HZ1      LYS 120   5.811   7.775 -20.631
  893    HZ2  LYS 120           HZ2      LYS 120   6.443   6.996 -21.915
  894    HZ3  LYS 120           HZ3      LYS 120   5.925   6.145 -20.604
  895    H    GLU 121           H        GLU 121   8.481   1.124 -22.024
  896    HA   GLU 121           HA       GLU 121   5.694   1.269 -21.576
  897    HB2  GLU 121           HB2      GLU 121   6.842   1.294 -23.745
  898    HB3  GLU 121           HB3      GLU 121   7.282  -0.414 -23.551
  899    HG2  GLU 121           HG2      GLU 121   4.885  -1.015 -23.392
  900    HG3  GLU 121           HG3      GLU 121   4.438   0.682 -23.625
  901    H    ARG 122           H        ARG 122   7.965  -1.557 -21.279
  902    HA   ARG 122           HA       ARG 122   5.946  -3.428 -20.466
  903    HB2  ARG 122           HB2      ARG 122   8.813  -3.402 -19.397
  904    HB3  ARG 122           HB3      ARG 122   7.710  -4.768 -19.421
  905    HG2  ARG 122           HG2      ARG 122   9.088  -3.484 -21.786
  906    HG3  ARG 122           HG3      ARG 122   9.448  -5.037 -21.069
  907    HD2  ARG 122           HD2      ARG 122   7.846  -6.119 -22.239
  908    HD3  ARG 122           HD3      ARG 122   6.651  -4.855 -21.993
  909    HE   ARG 122           HE       ARG 122   8.845  -4.803 -24.046
  910   HH11  ARG 122          HH21      ARG 122   5.432  -4.033 -23.288
  911   HH12  ARG 122          HH22      ARG 122   5.325  -2.890 -24.617
  912   HH21  ARG 122          HH11      ARG 122   8.547  -3.252 -25.811
  913   HH22  ARG 122          HH12      ARG 122   6.960  -2.521 -25.982
  914    H    VAL 123           H        VAL 123   7.899  -1.169 -18.519
  915    HA   VAL 123           HA       VAL 123   6.874  -2.091 -16.013
  916    HB   VAL 123           HB       VAL 123   8.248   0.449 -16.790
  917   HG11  VAL 123          HG11      VAL 123   8.753   0.692 -14.410
  918   HG12  VAL 123          HG12      VAL 123   7.020   0.830 -14.721
  919   HG13  VAL 123          HG13      VAL 123   7.670  -0.673 -14.024
  920   HG21  VAL 123          HG21      VAL 123   9.363  -1.965 -15.289
  921   HG22  VAL 123          HG22      VAL 123   9.604  -1.712 -17.029
  922   HG23  VAL 123          HG23      VAL 123  10.247  -0.541 -15.874
  923    H    GLU 124           H        GLU 124   5.848   0.635 -18.219
  924    HA   GLU 124           HA       GLU 124   3.787   1.554 -16.515
  925    HB2  GLU 124           HB2      GLU 124   4.183   1.652 -19.531
  926    HB3  GLU 124           HB3      GLU 124   2.668   2.187 -18.795
  927    HG2  GLU 124           HG2      GLU 124   3.980   3.742 -17.312
  928    HG3  GLU 124           HG3      GLU 124   5.417   3.341 -18.254
  929    H    ASN 125           H        ASN 125   3.789  -1.073 -18.916
  930    HA   ASN 125           HA       ASN 125   1.002  -1.622 -18.736
  931    HB2  ASN 125           HB2      ASN 125   2.488  -2.409 -20.580
  932    HB3  ASN 125           HB3      ASN 125   3.283  -3.520 -19.461
  933   HD21  ASN 125          HD22      ASN 125   0.078  -2.740 -20.943
  934   HD22  ASN 125          HD21      ASN 125  -0.541  -4.365 -20.811
  935    H    LEU 126           H        LEU 126   3.775  -3.054 -16.963
  936    HA   LEU 126           HA       LEU 126   2.439  -4.878 -15.313
  937    HB2  LEU 126           HB2      LEU 126   4.812  -4.744 -15.744
  938    HB3  LEU 126           HB3      LEU 126   4.951  -3.201 -14.934
  939    HG   LEU 126           HG       LEU 126   5.689  -5.401 -13.833
  940   HD11  LEU 126          HD11      LEU 126   5.821  -3.243 -12.716
  941   HD12  LEU 126          HD12      LEU 126   4.130  -3.391 -12.176
  942   HD13  LEU 126          HD13      LEU 126   5.374  -4.520 -11.583
  943   HD21  LEU 126          HD21      LEU 126   3.498  -6.560 -14.125
  944   HD22  LEU 126          HD22      LEU 126   4.198  -6.647 -12.509
  945   HD23  LEU 126          HD23      LEU 126   2.849  -5.537 -12.820
  946    H    ILE 127           H        ILE 127   3.170  -1.370 -14.743
  947    HA   ILE 127           HA       ILE 127   1.920  -1.262 -12.137
  948    HB   ILE 127           HB       ILE 127   2.701   0.779 -14.269
  949   HG12  ILE 127          HG12      ILE 127   3.910   0.084 -11.561
  950   HG13  ILE 127          HG13      ILE 127   4.494  -0.606 -13.067
  951   HG21  ILE 127          HG21      ILE 127   0.873   1.732 -12.912
  952   HG22  ILE 127          HG22      ILE 127   1.760   1.324 -11.423
  953   HG23  ILE 127          HG23      ILE 127   2.393   2.532 -12.569
  954   HD11  ILE 127          HD11      ILE 127   4.584   2.316 -12.281
  955   HD12  ILE 127          HD12      ILE 127   5.935   1.191 -12.487
  956   HD13  ILE 127          HD13      ILE 127   4.971   1.691 -13.903
  957    H    ALA 128           H        ALA 128   0.750  -0.355 -15.449
  958    HA   ALA 128           HA       ALA 128  -1.762   0.538 -14.701
  959    HB1  ALA 128           HB1      ALA 128  -0.833   0.773 -16.969
  960    HB2  ALA 128           HB2      ALA 128  -1.017  -0.984 -17.237
  961    HB3  ALA 128           HB3      ALA 128  -2.447   0.042 -17.011
  962    H    LYS 129           H        LYS 129  -0.755  -2.899 -15.124
  963    HA   LYS 129           HA       LYS 129  -3.495  -3.745 -14.768
  964    HB2  LYS 129           HB2      LYS 129  -2.769  -6.002 -14.987
  965    HB3  LYS 129           HB3      LYS 129  -2.116  -4.987 -16.268
  966    HG2  LYS 129           HG2      LYS 129   0.059  -4.906 -15.012
  967    HG3  LYS 129           HG3      LYS 129  -0.617  -6.025 -13.825
  968    HD2  LYS 129           HD2      LYS 129   0.793  -7.200 -15.368
  969    HD3  LYS 129           HD3      LYS 129  -0.882  -7.726 -15.630
  970    HE2  LYS 129           HE2      LYS 129  -1.005  -6.286 -17.646
  971    HE3  LYS 129           HE3      LYS 129   0.575  -5.597 -17.266
  972    HZ1  LYS 129           HZ1      LYS 129   0.909  -7.195 -18.917
  973    HZ2  LYS 129           HZ2      LYS 129   1.504  -7.897 -17.558
  974    HZ3  LYS 129           HZ3      LYS 129   0.042  -8.368 -18.152
  975    H    ILE 130           H        ILE 130  -0.669  -3.497 -12.529
  976    HA   ILE 130           HA       ILE 130  -2.203  -4.846 -10.522
  977    HB   ILE 130           HB       ILE 130  -0.351  -4.577  -9.095
  978   HG12  ILE 130          HG12      ILE 130   0.798  -2.787 -11.231
  979   HG13  ILE 130          HG13      ILE 130   0.408  -2.355  -9.580
  980   HG21  ILE 130          HG21      ILE 130   0.638  -5.416 -11.845
  981   HG22  ILE 130          HG22      ILE 130   1.176  -6.009 -10.257
  982   HG23  ILE 130          HG23      ILE 130  -0.444  -6.394 -10.832
  983   HD11  ILE 130          HD11      ILE 130   2.803  -2.584  -9.968
  984   HD12  ILE 130          HD12      ILE 130   2.215  -3.706  -8.715
  985   HD13  ILE 130          HD13      ILE 130   2.606  -4.280 -10.378
  986    H    SER 131           H        SER 131  -1.530  -1.449 -11.225
  987    HA   SER 131           HA       SER 131  -2.550  -0.610  -8.652
  988    HB2  SER 131           HB2      SER 131  -0.959   0.785 -10.801
  989    HB3  SER 131           HB3      SER 131  -1.545   1.561  -9.312
  990    HG   SER 131           HG       SER 131   0.622   0.677  -9.116
  Start of MODEL    2
    1    H    MET   1           H        MET   1   1.734  -0.029   1.097
    2    HA   MET   1           HA       MET   1   1.633   1.158  -1.600
    3    HB2  MET   1           HB2      MET   1   3.633   1.500   0.438
    4    HB3  MET   1           HB3      MET   1   4.331   0.407  -0.762
    5    HG2  MET   1           HG2      MET   1   4.181   1.947  -2.483
    6    HG3  MET   1           HG3      MET   1   3.015   2.985  -1.629
    7    HE1  MET   1           HE1      MET   1   4.678   4.813  -2.760
    8    HE2  MET   1           HE2      MET   1   6.359   5.068  -2.223
    9    HE3  MET   1           HE3      MET   1   5.946   3.646  -3.192
   10    H    LYS   2           H        LYS   2   2.118  -0.261  -3.349
   11    HA   LYS   2           HA       LYS   2   2.123  -3.176  -2.727
   12    HB2  LYS   2           HB2      LYS   2   2.417  -2.027  -5.505
   13    HB3  LYS   2           HB3      LYS   2   1.797  -3.579  -5.018
   14    HG2  LYS   2           HG2      LYS   2  -0.241  -2.538  -4.079
   15    HG3  LYS   2           HG3      LYS   2   0.383  -0.931  -4.465
   16    HD2  LYS   2           HD2      LYS   2   0.539  -1.814  -6.922
   17    HD3  LYS   2           HD3      LYS   2  -0.600  -3.049  -6.386
   18    HE2  LYS   2           HE2      LYS   2  -1.010  -0.033  -5.992
   19    HE3  LYS   2           HE3      LYS   2  -1.499  -0.862  -7.455
   20    HZ1  LYS   2           HZ1      LYS   2  -3.021  -2.224  -6.151
   21    HZ2  LYS   2           HZ2      LYS   2  -2.545  -1.525  -4.738
   22    HZ3  LYS   2           HZ3      LYS   2  -3.335  -0.652  -5.870
   23    H    LYS   3           H        LYS   3   3.988  -4.238  -2.332
   24    HA   LYS   3           HA       LYS   3   6.501  -2.808  -2.900
   25    HB2  LYS   3           HB2      LYS   3   5.942  -3.885  -0.726
   26    HB3  LYS   3           HB3      LYS   3   6.093  -5.464  -1.503
   27    HG2  LYS   3           HG2      LYS   3   8.464  -4.932  -2.096
   28    HG3  LYS   3           HG3      LYS   3   8.287  -3.337  -1.358
   29    HD2  LYS   3           HD2      LYS   3   8.109  -6.018   0.086
   30    HD3  LYS   3           HD3      LYS   3   9.440  -4.858   0.170
   31    HE2  LYS   3           HE2      LYS   3   7.784  -3.143   1.088
   32    HE3  LYS   3           HE3      LYS   3   6.562  -4.415   1.128
   33    HZ1  LYS   3           HZ1      LYS   3   8.034  -5.678   2.647
   34    HZ2  LYS   3           HZ2      LYS   3   9.103  -4.431   2.675
   35    HZ3  LYS   3           HZ3      LYS   3   7.598  -4.234   3.286
   36    H    VAL   4           H        VAL   4   7.827  -3.290  -4.528
   37    HA   VAL   4           HA       VAL   4   6.904  -5.323  -6.511
   38    HB   VAL   4           HB       VAL   4   8.445  -2.872  -7.240
   39   HG11  VAL   4          HG11      VAL   4   7.922  -4.569  -8.995
   40   HG12  VAL   4          HG12      VAL   4   6.185  -4.305  -8.676
   41   HG13  VAL   4          HG13      VAL   4   7.167  -3.001  -9.321
   42   HG21  VAL   4          HG21      VAL   4   6.493  -1.521  -7.605
   43   HG22  VAL   4          HG22      VAL   4   5.437  -2.751  -6.844
   44   HG23  VAL   4          HG23      VAL   4   6.651  -1.862  -5.896
   45    H    MET   5           H        MET   5   8.511  -6.441  -7.642
   46    HA   MET   5           HA       MET   5  11.367  -5.829  -7.224
   47    HB2  MET   5           HB2      MET   5  10.910  -7.573  -5.582
   48    HB3  MET   5           HB3      MET   5  10.081  -8.565  -6.782
   49    HG2  MET   5           HG2      MET   5  12.184  -8.870  -8.003
   50    HG3  MET   5           HG3      MET   5  13.031  -7.846  -6.861
   51    HE1  MET   5           HE1      MET   5  13.375  -8.427  -4.318
   52    HE2  MET   5           HE2      MET   5  11.743  -9.031  -3.976
   53    HE3  MET   5           HE3      MET   5  13.146 -10.039  -3.608
   54    H    PHE   6           H        PHE   6  12.671  -6.495  -8.969
   55    HA   PHE   6           HA       PHE   6  11.466  -7.618 -11.395
   56    HB2  PHE   6           HB2      PHE   6  13.047  -5.011 -11.266
   57    HB3  PHE   6           HB3      PHE   6  12.780  -5.937 -12.721
   58    HD1  PHE   6           HD1      PHE   6  11.134  -3.825 -10.157
   59    HD2  PHE   6           HD2      PHE   6  10.668  -5.892 -13.921
   60    HE1  PHE   6           HE1      PHE   6   9.032  -2.603 -10.578
   61    HE2  PHE   6           HE2      PHE   6   8.588  -4.607 -14.361
   62    HZ   PHE   6           HZ       PHE   6   7.777  -2.957 -12.694
   63    H    VAL   7           H        VAL   7  12.949  -9.273 -11.972
   64    HA   VAL   7           HA       VAL   7  15.771  -8.994 -11.156
   65    HB   VAL   7           HB       VAL   7  14.782  -9.565  -9.094
   66   HG11  VAL   7          HG11      VAL   7  13.121 -11.703 -10.461
   67   HG12  VAL   7          HG12      VAL   7  13.284 -11.508  -8.700
   68   HG13  VAL   7          HG13      VAL   7  12.562 -10.213  -9.652
   69   HG21  VAL   7          HG21      VAL   7  16.788 -10.918  -9.586
   70   HG22  VAL   7          HG22      VAL   7  15.677 -11.682  -8.449
   71   HG23  VAL   7          HG23      VAL   7  15.730 -12.252 -10.126
   72    H    CYS   8           H        CYS   8  17.098 -10.700 -11.874
   73    HA   CYS   8           HA       CYS   8  16.069 -12.759 -13.655
   74    HB2  CYS   8           HB2      CYS   8  16.630 -10.876 -15.185
   75    HB3  CYS   8           HB3      CYS   8  18.252 -10.794 -14.511
   76    H    LYS   9           H        LYS   9  18.223 -14.198 -14.151
   77    HA   LYS   9           HA       LYS   9  18.999 -15.387 -11.787
   78    HB2  LYS   9           HB2      LYS   9  19.191 -16.291 -14.129
   79    HB3  LYS   9           HB3      LYS   9  20.622 -15.280 -14.377
   80    HG2  LYS   9           HG2      LYS   9  21.719 -16.484 -12.439
   81    HG3  LYS   9           HG3      LYS   9  20.310 -17.538 -12.345
   82    HD2  LYS   9           HD2      LYS   9  22.169 -17.231 -14.747
   83    HD3  LYS   9           HD3      LYS   9  22.235 -18.540 -13.560
   84    HE2  LYS   9           HE2      LYS   9  19.925 -19.245 -14.219
   85    HE3  LYS   9           HE3      LYS   9  19.892 -17.966 -15.445
   86    HZ1  LYS   9           HZ1      LYS   9  21.778 -19.054 -16.543
   87    HZ2  LYS   9           HZ2      LYS   9  21.809 -20.238 -15.412
   88    HZ3  LYS   9           HZ3      LYS   9  20.528 -20.094 -16.408
   89    H    ARG  10           H        ARG  10  20.727 -12.756 -13.508
   90    HA   ARG  10           HA       ARG  10  22.092 -12.047 -10.994
   91    HB2  ARG  10           HB2      ARG  10  23.474 -12.339 -13.717
   92    HB3  ARG  10           HB3      ARG  10  24.150 -11.414 -12.371
   93    HG2  ARG  10           HG2      ARG  10  24.139 -13.452 -10.951
   94    HG3  ARG  10           HG3      ARG  10  23.551 -14.403 -12.329
   95    HD2  ARG  10           HD2      ARG  10  25.571 -13.874 -13.612
   96    HD3  ARG  10           HD3      ARG  10  26.147 -12.814 -12.302
   97    HE   ARG  10           HE       ARG  10  25.629 -15.422 -11.255
   98   HH11  ARG  10          HH11      ARG  10  27.959 -13.900 -13.491
   99   HH12  ARG  10          HH12      ARG  10  29.272 -14.920 -13.022
  100   HH21  ARG  10          HH21      ARG  10  27.390 -16.639 -10.525
  101   HH22  ARG  10          HH22      ARG  10  28.924 -16.569 -11.344
  102    H    ASN  11           H        ASN  11  22.890  -9.688 -11.238
  103    HA   ASN  11           HA       ASN  11  20.762  -8.047 -12.378
  104    HB2  ASN  11           HB2      ASN  11  22.055  -7.463 -10.299
  105    HB3  ASN  11           HB3      ASN  11  23.497  -7.211 -11.289
  106   HD21  ASN  11          HD22      ASN  11  23.179  -5.153  -9.952
  107   HD22  ASN  11          HD21      ASN  11  22.252  -3.867 -10.734
  108    H    SER  12           H        SER  12  24.127  -8.899 -13.237
  109    HA   SER  12           HA       SER  12  24.669  -7.196 -15.304
  110    HB2  SER  12           HB2      SER  12  25.368 -10.152 -15.383
  111    HB3  SER  12           HB3      SER  12  26.314  -8.785 -15.997
  112    HG   SER  12           HG       SER  12  27.168  -9.483 -14.022
  113    H    SER  13           H        SER  13  24.241  -7.039 -17.445
  114    HA   SER  13           HA       SER  13  23.265  -7.222 -19.401
  115    HB2  SER  13           HB2      SER  13  23.382 -10.222 -19.018
  116    HB3  SER  13           HB3      SER  13  23.458  -9.309 -20.532
  117    HG   SER  13           HG       SER  13  25.551  -9.959 -19.824
  118    H    ARG  14           H        ARG  14  21.213  -7.331 -16.983
  119    HA   ARG  14           HA       ARG  14  19.078  -7.311 -18.928
  120    HB2  ARG  14           HB2      ARG  14  19.220  -9.825 -18.149
  121    HB3  ARG  14           HB3      ARG  14  18.589  -9.247 -16.616
  122    HG2  ARG  14           HG2      ARG  14  16.718  -9.957 -17.800
  123    HG3  ARG  14           HG3      ARG  14  16.666  -8.205 -17.967
  124    HD2  ARG  14           HD2      ARG  14  16.254  -8.834 -20.136
  125    HD3  ARG  14           HD3      ARG  14  17.994  -8.670 -20.244
  126    HE   ARG  14           HE       ARG  14  16.347 -11.139 -20.023
  127   HH11  ARG  14          HH11      ARG  14  19.663  -9.854 -20.618
  128   HH12  ARG  14          HH12      ARG  14  20.138 -11.214 -21.560
  129   HH21  ARG  14          HH21      ARG  14  17.084 -12.976 -21.256
  130   HH22  ARG  14          HH22      ARG  14  18.694 -13.029 -21.855
  131    H    SER  15           H        SER  15  19.424  -7.450 -15.312
  132    HA   SER  15           HA       SER  15  17.037  -5.941 -15.015
  133    HB2  SER  15           HB2      SER  15  19.075  -6.564 -12.874
  134    HB3  SER  15           HB3      SER  15  17.325  -6.340 -12.693
  135    HG   SER  15           HG       SER  15  18.187  -8.608 -12.818
  136    H    GLN  16           H        GLN  16  19.517  -4.390 -16.278
  137    HA   GLN  16           HA       GLN  16  20.257  -2.542 -14.268
  138    HB2  GLN  16           HB2      GLN  16  21.405  -1.320 -16.003
  139    HB3  GLN  16           HB3      GLN  16  21.608  -3.047 -16.295
  140    HG2  GLN  16           HG2      GLN  16  19.827  -2.925 -18.073
  141    HG3  GLN  16           HG3      GLN  16  19.672  -1.189 -17.746
  142   HE21  GLN  16          HE22      GLN  16  22.101  -3.628 -18.988
  143   HE22  GLN  16          HE21      GLN  16  23.037  -2.419 -19.813
  144    H    MET  17           H        MET  17  17.652  -2.157 -16.699
  145    HA   MET  17           HA       MET  17  17.204   0.547 -15.600
  146    HB2  MET  17           HB2      MET  17  17.829   0.276 -17.911
  147    HB3  MET  17           HB3      MET  17  16.476  -0.802 -18.197
  148    HG2  MET  17           HG2      MET  17  15.907   1.157 -19.185
  149    HG3  MET  17           HG3      MET  17  14.925   1.128 -17.729
  150    HE1  MET  17           HE1      MET  17  16.496   4.282 -15.812
  151    HE2  MET  17           HE2      MET  17  15.317   2.951 -15.690
  152    HE3  MET  17           HE3      MET  17  17.080   2.662 -15.487
  153    H    ALA  18           H        ALA  18  15.612  -2.539 -15.648
  154    HA   ALA  18           HA       ALA  18  12.905  -1.630 -15.755
  155    HB1  ALA  18           HB1      ALA  18  14.020  -4.203 -14.568
  156    HB2  ALA  18           HB2      ALA  18  12.327  -3.909 -15.030
  157    HB3  ALA  18           HB3      ALA  18  13.587  -3.943 -16.276
  158    H    GLU  19           H        GLU  19  14.799  -2.545 -12.809
  159    HA   GLU  19           HA       GLU  19  12.771  -1.597 -10.997
  160    HB2  GLU  19           HB2      GLU  19  14.308  -1.952  -9.311
  161    HB3  GLU  19           HB3      GLU  19  14.776  -3.102 -10.539
  162    HG2  GLU  19           HG2      GLU  19  16.789  -2.309  -9.840
  163    HG3  GLU  19           HG3      GLU  19  16.555  -1.299 -11.271
  164    H    GLY  20           H        GLY  20  15.430  -0.020 -12.760
  165    HA2  GLY  20           HA2      GLY  20  15.520   2.514 -11.705
  166    HA3  GLY  20           HA3      GLY  20  15.674   2.135 -13.420
  167    H    PHE  21           H        PHE  21  13.399   1.670 -14.568
  168    HA   PHE  21           HA       PHE  21  11.995   4.159 -14.286
  169    HB2  PHE  21           HB2      PHE  21  11.453   1.637 -15.865
  170    HB3  PHE  21           HB3      PHE  21  10.220   2.885 -15.747
  171    HD1  PHE  21           HD2      PHE  21  11.194   5.427 -15.968
  172    HD2  PHE  21           HD1      PHE  21  12.825   1.838 -17.704
  173    HE1  PHE  21           HE2      PHE  21  12.310   6.782 -17.763
  174    HE2  PHE  21           HE1      PHE  21  13.982   3.183 -19.438
  175    HZ   PHE  21           HZ       PHE  21  13.670   5.658 -19.507
  176    H    ALA  22           H        ALA  22  11.371   0.986 -12.822
  177    HA   ALA  22           HA       ALA  22   8.661   1.648 -12.225
  178    HB1  ALA  22           HB1      ALA  22   9.487  -0.643 -12.232
  179    HB2  ALA  22           HB2      ALA  22  10.601  -0.304 -10.905
  180    HB3  ALA  22           HB3      ALA  22   8.838  -0.256 -10.608
  181    H    LYS  23           H        LYS  23  11.689   2.520 -10.481
  182    HA   LYS  23           HA       LYS  23  10.149   3.489  -8.209
  183    HB2  LYS  23           HB2      LYS  23  12.124   4.294  -7.310
  184    HB3  LYS  23           HB3      LYS  23  12.581   2.839  -8.173
  185    HG2  LYS  23           HG2      LYS  23  12.951   5.043 -10.000
  186    HG3  LYS  23           HG3      LYS  23  13.531   5.584  -8.441
  187    HD2  LYS  23           HD2      LYS  23  14.421   3.083  -9.928
  188    HD3  LYS  23           HD3      LYS  23  15.295   4.610  -9.853
  189    HE2  LYS  23           HE2      LYS  23  15.346   4.271  -7.293
  190    HE3  LYS  23           HE3      LYS  23  14.690   2.643  -7.588
  191    HZ1  LYS  23           HZ1      LYS  23  17.259   3.596  -8.740
  192    HZ2  LYS  23           HZ2      LYS  23  17.127   2.663  -7.382
  193    HZ3  LYS  23           HZ3      LYS  23  16.644   2.086  -8.843
  194    H    THR  24           H        THR  24  11.001   4.883 -11.346
  195    HA   THR  24           HA       THR  24  10.264   7.555 -10.724
  196    HB   THR  24           HB       THR  24  10.967   5.912 -13.128
  197    HG1  THR  24           HG1      THR  24  12.209   8.138 -11.852
  198   HG21  THR  24          HG21      THR  24   9.463   7.411 -14.113
  199   HG22  THR  24          HG22      THR  24  10.123   8.808 -13.210
  200   HG23  THR  24          HG23      THR  24  11.101   7.983 -14.461
  201    H    LEU  25           H        LEU  25   8.683   5.021 -12.677
  202    HA   LEU  25           HA       LEU  25   6.270   6.565 -13.111
  203    HB2  LEU  25           HB2      LEU  25   6.938   3.606 -13.419
  204    HB3  LEU  25           HB3      LEU  25   5.457   4.351 -14.047
  205    HG   LEU  25           HG       LEU  25   8.265   5.188 -14.888
  206   HD11  LEU  25          HD11      LEU  25   8.006   2.873 -15.438
  207   HD12  LEU  25          HD12      LEU  25   6.385   3.131 -16.095
  208   HD13  LEU  25          HD13      LEU  25   7.813   3.804 -16.931
  209   HD21  LEU  25          HD21      LEU  25   5.529   5.679 -16.144
  210   HD22  LEU  25          HD22      LEU  25   6.564   6.895 -15.360
  211   HD23  LEU  25          HD23      LEU  25   7.090   6.136 -16.862
  212    H    GLY  26           H        GLY  26   7.269   4.012 -10.840
  213    HA2  GLY  26           HA2      GLY  26   4.666   3.663  -9.652
  214    HA3  GLY  26           HA3      GLY  26   6.217   2.960  -9.154
  215    H    ALA  27           H        ALA  27   6.816   6.253  -9.368
  216    HA   ALA  27           HA       ALA  27   7.172   6.631  -6.624
  217    HB1  ALA  27           HB1      ALA  27   8.224   8.035  -8.398
  218    HB2  ALA  27           HB2      ALA  27   6.633   8.741  -8.765
  219    HB3  ALA  27           HB3      ALA  27   7.384   9.023  -7.183
  220    H    GLY  28           H        GLY  28   5.881   7.356  -4.967
  221    HA2  GLY  28           HA2      GLY  28   4.053   8.067  -3.814
  222    HA3  GLY  28           HA3      GLY  28   3.395   8.715  -5.319
  223    H    LYS  29           H        LYS  29   3.979   5.351  -5.735
  224    HA   LYS  29           HA       LYS  29   1.296   4.608  -4.676
  225    HB2  LYS  29           HB2      LYS  29   0.626   3.576  -6.850
  226    HB3  LYS  29           HB3      LYS  29   0.730   5.327  -6.838
  227    HG2  LYS  29           HG2      LYS  29   3.023   5.125  -7.929
  228    HG3  LYS  29           HG3      LYS  29   2.706   3.400  -8.100
  229    HD2  LYS  29           HD2      LYS  29   2.127   4.284 -10.194
  230    HD3  LYS  29           HD3      LYS  29   0.580   4.113  -9.387
  231    HE2  LYS  29           HE2      LYS  29   0.576   6.215 -10.512
  232    HE3  LYS  29           HE3      LYS  29   0.636   6.563  -8.787
  233    HZ1  LYS  29           HZ1      LYS  29   2.166   7.916 -10.185
  234    HZ2  LYS  29           HZ2      LYS  29   2.978   7.133  -9.008
  235    HZ3  LYS  29           HZ3      LYS  29   3.047   6.589 -10.571
  236    H    ILE  30           H        ILE  30   4.400   3.339  -6.062
  237    HA   ILE  30           HA       ILE  30   3.983   0.893  -4.414
  238    HB   ILE  30           HB       ILE  30   4.483  -0.569  -6.272
  239   HG12  ILE  30          HG12      ILE  30   4.527   1.910  -8.020
  240   HG13  ILE  30          HG13      ILE  30   5.919   0.901  -7.630
  241   HG21  ILE  30          HG21      ILE  30   2.391  -0.470  -7.438
  242   HG22  ILE  30          HG22      ILE  30   2.100   0.155  -5.804
  243   HG23  ILE  30          HG23      ILE  30   2.234   1.273  -7.168
  244   HD11  ILE  30          HD11      ILE  30   4.643  -1.030  -8.795
  245   HD12  ILE  30          HD12      ILE  30   3.575   0.227  -9.452
  246   HD13  ILE  30          HD13      ILE  30   5.323   0.268  -9.785
  247    H    ALA  31           H        ALA  31   5.908  -0.326  -4.030
  248    HA   ALA  31           HA       ALA  31   8.284   1.496  -3.856
  249    HB1  ALA  31           HB1      ALA  31   8.623   0.483  -1.657
  250    HB2  ALA  31           HB2      ALA  31   6.973   1.163  -1.764
  251    HB3  ALA  31           HB3      ALA  31   7.237  -0.601  -1.905
  252    H    VAL  32           H        VAL  32   9.756   0.674  -5.379
  253    HA   VAL  32           HA       VAL  32   9.945  -2.211  -5.851
  254    HB   VAL  32           HB       VAL  32  11.871  -0.047  -6.773
  255   HG11  VAL  32          HG11      VAL  32  12.572  -2.351  -7.197
  256   HG12  VAL  32          HG12      VAL  32  10.996  -2.741  -7.929
  257   HG13  VAL  32          HG13      VAL  32  12.094  -1.585  -8.719
  258   HG21  VAL  32          HG21      VAL  32  10.587   0.253  -8.773
  259   HG22  VAL  32          HG22      VAL  32   9.283  -0.823  -8.193
  260   HG23  VAL  32          HG23      VAL  32   9.601   0.752  -7.425
  261    H    THR  33           H        THR  33  11.302  -3.600  -4.860
  262    HA   THR  33           HA       THR  33  13.797  -2.652  -3.666
  263    HB   THR  33           HB       THR  33  11.980  -4.666  -2.344
  264    HG1  THR  33           HG1      THR  33  11.551  -3.067  -0.766
  265   HG21  THR  33          HG21      THR  33  13.601  -4.463  -0.454
  266   HG22  THR  33          HG22      THR  33  14.435  -4.928  -1.940
  267   HG23  THR  33          HG23      THR  33  14.527  -3.253  -1.382
  268    H    SER  34           H        SER  34  14.778  -3.475  -5.552
  269    HA   SER  34           HA       SER  34  13.926  -6.149  -6.355
  270    HB2  SER  34           HB2      SER  34  15.367  -3.952  -7.823
  271    HB3  SER  34           HB3      SER  34  15.239  -5.607  -8.460
  272    HG   SER  34           HG       SER  34  13.428  -4.125  -9.024
  273    H    SER  35           H        SER  35  14.897  -7.211  -4.620
  274    HA   SER  35           HA       SER  35  17.676  -7.570  -4.262
  275    HB2  SER  35           HB2      SER  35  15.595  -9.718  -3.840
  276    HB3  SER  35           HB3      SER  35  16.996  -9.314  -2.833
  277    HG   SER  35           HG       SER  35  15.086  -8.494  -1.850
  278    H    GLY  36           H        GLY  36  18.627 -10.029  -4.727
  279    HA2  GLY  36           HA2      GLY  36  18.010 -11.033  -7.369
  280    HA3  GLY  36           HA3      GLY  36  19.506 -10.071  -7.270
  281    H    LEU  37           H        LEU  37  20.554 -12.245  -7.774
  282    HA   LEU  37           HA       LEU  37  20.931 -13.941  -5.445
  283    HB2  LEU  37           HB2      LEU  37  19.942 -14.623  -8.229
  284    HB3  LEU  37           HB3      LEU  37  20.796 -15.840  -7.283
  285    HG   LEU  37           HG       LEU  37  18.535 -14.447  -5.908
  286   HD11  LEU  37          HD11      LEU  37  16.811 -15.881  -7.036
  287   HD12  LEU  37          HD12      LEU  37  17.583 -14.726  -8.135
  288   HD13  LEU  37          HD13      LEU  37  18.074 -16.428  -8.163
  289   HD21  LEU  37          HD21      LEU  37  18.115 -16.774  -5.074
  290   HD22  LEU  37          HD22      LEU  37  19.417 -17.365  -6.124
  291   HD23  LEU  37          HD23      LEU  37  19.791 -16.257  -4.790
  292    H    GLU  38           H        GLU  38  23.058 -14.347  -5.309
  293    HA   GLU  38           HA       GLU  38  25.296 -14.207  -5.589
  294    HB2  GLU  38           HB2      GLU  38  24.859 -13.948  -8.584
  295    HB3  GLU  38           HB3      GLU  38  26.361 -14.357  -7.745
  296    HG2  GLU  38           HG2      GLU  38  25.226 -16.410  -6.864
  297    HG3  GLU  38           HG3      GLU  38  23.801 -15.979  -7.832
  298    H    SER  39           H        SER  39  23.871 -12.158  -8.044
  299    HA   SER  39           HA       SER  39  23.845 -10.086  -8.606
  300    HB2  SER  39           HB2      SER  39  23.987  -9.815  -5.593
  301    HB3  SER  39           HB3      SER  39  23.590  -8.438  -6.666
  302    HG   SER  39           HG       SER  39  21.718  -9.542  -5.875
  303    H    SER  40           H        SER  40  24.544  -7.969  -8.704
  304    HA   SER  40           HA       SER  40  27.384  -7.471  -8.610
  305    HB2  SER  40           HB2      SER  40  27.503  -7.608 -11.114
  306    HB3  SER  40           HB3      SER  40  27.169  -9.191 -10.319
  307    HG   SER  40           HG       SER  40  25.938  -8.643 -12.247
  308    H    ARG  41           H        ARG  41  27.638  -5.398 -10.067
  309    HA   ARG  41           HA       ARG  41  25.290  -3.675  -9.511
  310    HB2  ARG  41           HB2      ARG  41  28.072  -3.285  -9.061
  311    HB3  ARG  41           HB3      ARG  41  27.705  -2.281 -10.473
  312    HG2  ARG  41           HG2      ARG  41  25.954  -1.099  -9.220
  313    HG3  ARG  41           HG3      ARG  41  26.171  -2.188  -7.834
  314    HD2  ARG  41           HD2      ARG  41  28.484  -1.416  -7.555
  315    HD3  ARG  41           HD3      ARG  41  28.310  -0.323  -8.947
  316    HE   ARG  41           HE       ARG  41  26.216   0.365  -7.290
  317   HH11  ARG  41          HH12      ARG  41  29.761   0.291  -6.914
  318   HH12  ARG  41          HH11      ARG  41  29.802   1.550  -5.731
  319   HH21  ARG  41          HH21      ARG  41  26.276   2.014  -5.698
  320   HH22  ARG  41          HH22      ARG  41  27.775   2.561  -5.039
  321    H    VAL  42           H        VAL  42  25.002  -1.909 -11.165
  322    HA   VAL  42           HA       VAL  42  24.387  -3.210 -13.677
  323    HB   VAL  42           HB       VAL  42  23.291  -1.151 -14.183
  324   HG11  VAL  42          HG11      VAL  42  22.158  -2.725 -12.637
  325   HG12  VAL  42          HG12      VAL  42  22.710  -1.709 -11.263
  326   HG13  VAL  42          HG13      VAL  42  21.619  -1.048 -12.490
  327   HG21  VAL  42          HG21      VAL  42  24.866   0.489 -13.385
  328   HG22  VAL  42          HG22      VAL  42  23.298   0.806 -12.641
  329   HG23  VAL  42          HG23      VAL  42  24.584   0.030 -11.688
  330    H    HIS  43           H        HIS  43  24.893  -1.825 -15.737
  331    HA   HIS  43           HA       HIS  43  27.801  -1.807 -15.948
  332    HB2  HIS  43           HB2      HIS  43  25.620  -1.429 -18.039
  333    HB3  HIS  43           HB3      HIS  43  27.330  -1.673 -18.366
  334    HD1  HIS  43           HD1      HIS  43  28.318  -4.194 -17.708
  335    HD2  HIS  43           HD2      HIS  43  24.161  -3.606 -17.425
  336    HE1  HIS  43           HE1      HIS  43  27.279  -6.498 -17.426
  337    HA   PRO  44           HA       PRO  44  28.456   2.447 -15.395
  338    HB2  PRO  44           HB2      PRO  44  30.405   3.145 -17.253
  339    HB3  PRO  44           HB3      PRO  44  30.703   2.185 -15.771
  340    HG2  PRO  44           HG2      PRO  44  30.180   1.144 -18.585
  341    HG3  PRO  44           HG3      PRO  44  31.498   0.678 -17.457
  342    HD2  PRO  44           HD2      PRO  44  29.301  -0.828 -17.659
  343    HD3  PRO  44           HD3      PRO  44  29.968  -0.481 -16.034
  344    H    THR  45           H        THR  45  28.265   1.807 -18.967
  345    HA   THR  45           HA       THR  45  27.312   4.384 -19.604
  346    HB   THR  45           HB       THR  45  26.864   1.875 -21.141
  347    HG1  THR  45           HG1      THR  45  28.959   2.162 -21.958
  348   HG21  THR  45          HG21      THR  45  27.167   3.348 -23.132
  349   HG22  THR  45          HG22      THR  45  25.797   3.856 -22.147
  350   HG23  THR  45          HG23      THR  45  27.328   4.753 -22.045
  351    H    ALA  46           H        ALA  46  25.596   1.538 -18.337
  352    HA   ALA  46           HA       ALA  46  22.957   2.424 -19.015
  353    HB1  ALA  46           HB1      ALA  46  23.598   0.137 -17.904
  354    HB2  ALA  46           HB2      ALA  46  23.635   1.027 -16.353
  355    HB3  ALA  46           HB3      ALA  46  22.143   0.973 -17.304
  356    H    ILE  47           H        ILE  47  25.033   3.019 -16.156
  357    HA   ILE  47           HA       ILE  47  23.074   4.566 -14.821
  358    HB   ILE  47           HB       ILE  47  26.132   4.767 -14.671
  359   HG12  ILE  47          HG12      ILE  47  24.247   3.310 -12.776
  360   HG13  ILE  47          HG13      ILE  47  25.048   2.529 -14.137
  361   HG21  ILE  47          HG21      ILE  47  25.230   6.817 -13.706
  362   HG22  ILE  47          HG22      ILE  47  23.992   5.909 -12.826
  363   HG23  ILE  47          HG23      ILE  47  25.695   5.769 -12.362
  364   HD11  ILE  47          HD11      ILE  47  26.498   3.814 -11.798
  365   HD12  ILE  47          HD12      ILE  47  26.294   2.089 -12.097
  366   HD13  ILE  47          HD13      ILE  47  27.261   3.060 -13.217
  367    H    ALA  48           H        ALA  48  25.598   5.570 -17.164
  368    HA   ALA  48           HA       ALA  48  25.034   8.331 -16.959
  369    HB1  ALA  48           HB1      ALA  48  26.195   8.531 -19.149
  370    HB2  ALA  48           HB2      ALA  48  27.078   7.449 -18.052
  371    HB3  ALA  48           HB3      ALA  48  26.093   6.773 -19.373
  372    H    MET  49           H        MET  49  23.674   5.900 -19.264
  373    HA   MET  49           HA       MET  49  21.990   7.789 -20.646
  374    HB2  MET  49           HB2      MET  49  21.867   4.754 -20.267
  375    HB3  MET  49           HB3      MET  49  20.827   5.644 -21.380
  376    HG2  MET  49           HG2      MET  49  23.871   5.617 -21.481
  377    HG3  MET  49           HG3      MET  49  22.838   4.626 -22.469
  378    HE1  MET  49           HE1      MET  49  24.590   7.885 -21.953
  379    HE2  MET  49           HE2      MET  49  25.193   6.756 -23.194
  380    HE3  MET  49           HE3      MET  49  24.632   8.378 -23.668
  381    H    MET  50           H        MET  50  21.578   5.786 -17.768
  382    HA   MET  50           HA       MET  50  18.719   6.166 -17.702
  383    HB2  MET  50           HB2      MET  50  20.597   4.927 -15.693
  384    HB3  MET  50           HB3      MET  50  18.844   4.894 -15.612
  385    HG2  MET  50           HG2      MET  50  20.591   3.067 -16.949
  386    HG3  MET  50           HG3      MET  50  18.890   2.961 -16.752
  387    HE1  MET  50           HE1      MET  50  18.469   1.553 -19.494
  388    HE2  MET  50           HE2      MET  50  19.916   1.809 -20.466
  389    HE3  MET  50           HE3      MET  50  20.064   1.325 -18.755
  390    H    GLU  51           H        GLU  51  21.597   7.731 -16.276
  391    HA   GLU  51           HA       GLU  51  20.029   9.504 -14.668
  392    HB2  GLU  51           HB2      GLU  51  22.929   9.436 -15.541
  393    HB3  GLU  51           HB3      GLU  51  22.270  10.848 -14.731
  394    HG2  GLU  51           HG2      GLU  51  21.934   8.106 -13.496
  395    HG3  GLU  51           HG3      GLU  51  23.432   9.008 -13.324
  396    H    GLU  52           H        GLU  52  20.828   9.319 -18.084
  397    HA   GLU  52           HA       GLU  52  20.265  12.095 -18.549
  398    HB2  GLU  52           HB2      GLU  52  20.291   9.773 -20.493
  399    HB3  GLU  52           HB3      GLU  52  19.769  11.378 -20.946
  400    HG2  GLU  52           HG2      GLU  52  22.488  10.845 -19.692
  401    HG3  GLU  52           HG3      GLU  52  22.195  10.799 -21.423
  402    H    VAL  53           H        VAL  53  18.258   9.200 -18.098
  403    HA   VAL  53           HA       VAL  53  15.869  10.943 -18.361
  404    HB   VAL  53           HB       VAL  53  14.584   8.885 -17.979
  405   HG11  VAL  53          HG11      VAL  53  14.774   8.130 -20.270
  406   HG12  VAL  53          HG12      VAL  53  14.966   9.886 -20.209
  407   HG13  VAL  53          HG13      VAL  53  16.402   8.858 -20.414
  408   HG21  VAL  53          HG21      VAL  53  16.251   7.403 -16.955
  409   HG22  VAL  53          HG22      VAL  53  15.539   6.693 -18.392
  410   HG23  VAL  53          HG23      VAL  53  17.169   7.396 -18.488
  411    H    GLY  54           H        GLY  54  18.115  10.842 -16.143
  412    HA2  GLY  54           HA2      GLY  54  18.129  11.785 -14.092
  413    HA3  GLY  54           HA3      GLY  54  16.368  11.957 -14.170
  414    H    ILE  55           H        ILE  55  17.839   8.757 -14.532
  415    HA   ILE  55           HA       ILE  55  16.621   7.963 -11.938
  416    HB   ILE  55           HB       ILE  55  17.030   6.380 -14.417
  417   HG12  ILE  55          HG12      ILE  55  14.628   7.777 -13.219
  418   HG13  ILE  55          HG13      ILE  55  15.248   7.869 -14.867
  419   HG21  ILE  55          HG21      ILE  55  17.198   5.021 -12.295
  420   HG22  ILE  55          HG22      ILE  55  15.557   5.570 -11.888
  421   HG23  ILE  55          HG23      ILE  55  15.873   4.568 -13.330
  422   HD11  ILE  55          HD11      ILE  55  14.511   5.489 -15.225
  423   HD12  ILE  55          HD12      ILE  55  13.785   5.542 -13.591
  424   HD13  ILE  55          HD13      ILE  55  13.189   6.619 -14.869
  425    H    ASP  56           H        ASP  56  17.873   7.151 -10.370
  426    HA   ASP  56           HA       ASP  56  20.681   6.396 -10.895
  427    HB2  ASP  56           HB2      ASP  56  20.168   7.684  -8.855
  428    HB3  ASP  56           HB3      ASP  56  19.058   6.423  -8.319
  429    H    ILE  57           H        ILE  57  21.142   4.335 -11.369
  430    HA   ILE  57           HA       ILE  57  19.456   2.101 -10.318
  431    HB   ILE  57           HB       ILE  57  20.252   0.785 -12.342
  432   HG12  ILE  57          HG12      ILE  57  20.506   3.472 -13.735
  433   HG13  ILE  57          HG13      ILE  57  21.914   2.680 -13.025
  434   HG21  ILE  57          HG21      ILE  57  17.952   1.224 -12.187
  435   HG22  ILE  57          HG22      ILE  57  18.153   2.960 -12.560
  436   HG23  ILE  57          HG23      ILE  57  18.390   1.734 -13.816
  437   HD11  ILE  57          HD11      ILE  57  21.511   0.666 -14.400
  438   HD12  ILE  57          HD12      ILE  57  20.161   1.498 -15.204
  439   HD13  ILE  57          HD13      ILE  57  21.814   2.141 -15.330
  440    H    SER  58           H        SER  58  22.620   3.508 -10.900
  441    HA   SER  58           HA       SER  58  24.544   1.861 -10.233
  442    HB2  SER  58           HB2      SER  58  24.392   4.318  -8.554
  443    HB3  SER  58           HB3      SER  58  25.615   3.845  -9.742
  444    HG   SER  58           HG       SER  58  24.281   5.725 -10.270
  445    H    GLY  59           H        GLY  59  22.150   3.051  -7.842
  446    HA2  GLY  59           HA2      GLY  59  23.472   1.831  -5.578
  447    HA3  GLY  59           HA3      GLY  59  21.916   2.666  -5.608
  448    H    GLN  60           H        GLN  60  22.068   0.036  -7.900
  449    HA   GLN  60           HA       GLN  60  19.850  -1.143  -6.703
  450    HB2  GLN  60           HB2      GLN  60  21.403  -1.589  -9.103
  451    HB3  GLN  60           HB3      GLN  60  21.243  -3.146  -8.302
  452    HG2  GLN  60           HG2      GLN  60  18.748  -2.673  -8.090
  453    HG3  GLN  60           HG3      GLN  60  19.009  -1.227  -9.078
  454   HE21  GLN  60          HE22      GLN  60  19.392  -1.500 -11.363
  455   HE22  GLN  60          HE21      GLN  60  19.070  -3.047 -12.131
  456    H    THR  61           H        THR  61  23.220  -1.882  -5.995
  457    HA   THR  61           HA       THR  61  22.870  -4.607  -5.421
  458    HB   THR  61           HB       THR  61  25.110  -3.959  -3.996
  459    HG1  THR  61           HG1      THR  61  26.035  -2.139  -4.771
  460   HG21  THR  61          HG21      THR  61  25.035  -5.494  -5.902
  461   HG22  THR  61          HG22      THR  61  24.849  -4.138  -7.030
  462   HG23  THR  61          HG23      THR  61  26.364  -4.344  -6.119
  463    H    SER  62           H        SER  62  22.047  -5.650  -3.691
  464    HA   SER  62           HA       SER  62  21.372  -4.266  -1.192
  465    HB2  SER  62           HB2      SER  62  19.425  -5.482  -3.217
  466    HB3  SER  62           HB3      SER  62  18.977  -4.935  -1.587
  467    HG   SER  62           HG       SER  62  19.790  -3.422  -3.835
  468    H    ASP  63           H        ASP  63  19.913  -6.119  -0.029
  469    HA   ASP  63           HA       ASP  63  21.517  -8.375   0.540
  470    HB2  ASP  63           HB2      ASP  63  18.667  -7.545   0.964
  471    HB3  ASP  63           HB3      ASP  63  19.104  -9.217   1.310
  472    HA   PRO  64           HA       PRO  64  20.327 -11.297  -2.680
  473    HB2  PRO  64           HB2      PRO  64  20.376 -13.690  -1.356
  474    HB3  PRO  64           HB3      PRO  64  21.862 -12.783  -1.755
  475    HG2  PRO  64           HG2      PRO  64  20.335 -12.771   0.879
  476    HG3  PRO  64           HG3      PRO  64  22.093 -13.004   0.626
  477    HD2  PRO  64           HD2      PRO  64  21.052 -10.586   1.279
  478    HD3  PRO  64           HD3      PRO  64  22.425 -10.717   0.137
  479    H    ILE  65           H        ILE  65  18.465 -12.516  -3.324
  480    HA   ILE  65           HA       ILE  65  16.008 -11.617  -2.350
  481    HB   ILE  65           HB       ILE  65  16.733 -12.658  -4.598
  482   HG12  ILE  65          HG12      ILE  65  14.029 -13.344  -3.468
  483   HG13  ILE  65          HG13      ILE  65  14.511 -11.784  -4.128
  484   HG21  ILE  65          HG21      ILE  65  15.775 -15.254  -3.328
  485   HG22  ILE  65          HG22      ILE  65  16.312 -15.004  -4.989
  486   HG23  ILE  65          HG23      ILE  65  17.482 -14.856  -3.672
  487   HD11  ILE  65          HD11      ILE  65  14.957 -12.906  -6.345
  488   HD12  ILE  65          HD12      ILE  65  14.228 -14.391  -5.681
  489   HD13  ILE  65          HD13      ILE  65  13.257 -12.925  -5.834
  490    H    GLU  66           H        GLU  66  17.953 -14.284  -1.284
  491    HA   GLU  66           HA       GLU  66  15.975 -15.960  -0.156
  492    HB2  GLU  66           HB2      GLU  66  18.842 -15.730   0.838
  493    HB3  GLU  66           HB3      GLU  66  17.816 -17.171   0.787
  494    HG2  GLU  66           HG2      GLU  66  17.921 -17.001  -1.759
  495    HG3  GLU  66           HG3      GLU  66  19.090 -15.688  -1.533
  496    H    ASN  67           H        ASN  67  17.617 -13.124   0.903
  497    HA   ASN  67           HA       ASN  67  17.332 -13.243   3.732
  498    HB2  ASN  67           HB2      ASN  67  18.712 -11.604   2.269
  499    HB3  ASN  67           HB3      ASN  67  17.203 -10.715   2.049
  500   HD21  ASN  67          HD22      ASN  67  19.594 -11.862   4.444
  501   HD22  ASN  67          HD21      ASN  67  19.179 -10.703   5.686
  502    H    PHE  68           H        PHE  68  14.972 -12.732   1.222
  503    HA   PHE  68           HA       PHE  68  13.041 -11.381   3.030
  504    HB2  PHE  68           HB2      PHE  68  13.186 -11.540  -0.014
  505    HB3  PHE  68           HB3      PHE  68  11.991 -10.637   0.915
  506    HD1  PHE  68           HD2      PHE  68  12.696  -8.808   2.429
  507    HD2  PHE  68           HD1      PHE  68  15.288 -10.576  -0.485
  508    HE1  PHE  68           HE2      PHE  68  14.231  -6.820   2.607
  509    HE2  PHE  68           HE1      PHE  68  16.865  -8.630  -0.288
  510    HZ   PHE  68           HZ       PHE  68  16.312  -6.745   1.247
  511    H    ASN  69           H        ASN  69  10.726 -11.800   1.916
  512    HA   ASN  69           HA       ASN  69  10.362 -14.589   1.318
  513    HB2  ASN  69           HB2      ASN  69   9.680 -14.110   3.762
  514    HB3  ASN  69           HB3      ASN  69   8.499 -12.962   3.076
  515   HD21  ASN  69          HD22      ASN  69   7.869 -15.208   4.816
  516   HD22  ASN  69          HD21      ASN  69   6.824 -16.255   3.891
  517    H    ALA  70           H        ALA  70   8.642 -14.789  -0.333
  518    HA   ALA  70           HA       ALA  70   8.417 -12.291  -1.742
  519    HB1  ALA  70           HB1      ALA  70   7.273 -15.028  -2.404
  520    HB2  ALA  70           HB2      ALA  70   7.341 -13.632  -3.502
  521    HB3  ALA  70           HB3      ALA  70   8.842 -14.424  -2.989
  522    H    ASP  71           H        ASP  71   6.621 -14.266   0.467
  523    HA   ASP  71           HA       ASP  71   4.048 -13.438  -0.251
  524    HB2  ASP  71           HB2      ASP  71   4.474 -15.372   1.217
  525    HB3  ASP  71           HB3      ASP  71   5.094 -14.287   2.471
  526    H    ASP  72           H        ASP  72   6.633 -11.760   1.344
  527    HA   ASP  72           HA       ASP  72   5.060  -9.811   2.763
  528    HB2  ASP  72           HB2      ASP  72   7.394 -10.463   3.415
  529    HB3  ASP  72           HB3      ASP  72   7.963  -9.747   1.896
  530    H    TYR  73           H        TYR  73   6.314 -10.276  -0.461
  531    HA   TYR  73           HA       TYR  73   6.062  -7.504  -1.256
  532    HB2  TYR  73           HB2      TYR  73   6.928 -10.005  -2.716
  533    HB3  TYR  73           HB3      TYR  73   6.554  -8.530  -3.572
  534    HD1  TYR  73           HD1      TYR  73   8.630  -9.602  -0.580
  535    HD2  TYR  73           HD2      TYR  73   8.302  -7.111  -4.089
  536    HE1  TYR  73           HE1      TYR  73  10.924  -8.778  -0.200
  537    HE2  TYR  73           HE2      TYR  73  10.609  -6.297  -3.719
  538    HH   TYR  73           HH       TYR  73  12.599  -6.658  -2.554
  539    H    ASP  74           H        ASP  74   4.678  -6.924  -3.143
  540    HA   ASP  74           HA       ASP  74   2.088  -8.432  -3.124
  541    HB2  ASP  74           HB2      ASP  74   1.861  -6.074  -2.544
  542    HB3  ASP  74           HB3      ASP  74   2.699  -5.609  -4.031
  543    H    VAL  75           H        VAL  75   4.694  -7.066  -5.193
  544    HA   VAL  75           HA       VAL  75   3.756  -8.758  -7.430
  545    HB   VAL  75           HB       VAL  75   2.790  -6.786  -8.033
  546   HG11  VAL  75          HG11      VAL  75   3.679  -4.482  -7.806
  547   HG12  VAL  75          HG12      VAL  75   3.214  -5.260  -6.296
  548   HG13  VAL  75          HG13      VAL  75   4.914  -5.140  -6.732
  549   HG21  VAL  75          HG21      VAL  75   4.043  -5.736  -9.828
  550   HG22  VAL  75          HG22      VAL  75   5.575  -6.355  -9.163
  551   HG23  VAL  75          HG23      VAL  75   4.383  -7.476  -9.799
  552    H    VAL  76           H        VAL  76   5.314  -9.628  -8.703
  553    HA   VAL  76           HA       VAL  76   8.118  -8.861  -8.275
  554    HB   VAL  76           HB       VAL  76   6.947 -11.620  -7.919
  555   HG11  VAL  76          HG11      VAL  76   9.131 -11.781  -9.038
  556   HG12  VAL  76          HG12      VAL  76   9.867 -10.699  -7.827
  557   HG13  VAL  76          HG13      VAL  76   9.289 -12.310  -7.378
  558   HG21  VAL  76          HG21      VAL  76   6.655 -10.288  -5.844
  559   HG22  VAL  76          HG22      VAL  76   7.796 -11.595  -5.614
  560   HG23  VAL  76          HG23      VAL  76   8.389  -9.932  -5.819
  561    H    ILE  77           H        ILE  77   9.281  -9.202 -10.158
  562    HA   ILE  77           HA       ILE  77   7.856 -10.268 -12.537
  563    HB   ILE  77           HB       ILE  77   9.442  -7.692 -12.191
  564   HG12  ILE  77          HG12      ILE  77   7.194  -7.469 -11.190
  565   HG13  ILE  77          HG13      ILE  77   7.454  -6.410 -12.548
  566   HG21  ILE  77          HG21      ILE  77   9.925  -8.406 -14.372
  567   HG22  ILE  77          HG22      ILE  77   8.264  -8.962 -14.674
  568   HG23  ILE  77          HG23      ILE  77   8.621  -7.228 -14.555
  569   HD11  ILE  77          HD11      ILE  77   5.968  -7.540 -13.936
  570   HD12  ILE  77          HD12      ILE  77   6.056  -9.057 -12.998
  571   HD13  ILE  77          HD13      ILE  77   5.192  -7.671 -12.350
  572    H    SER  78           H        SER  78   9.180 -11.495 -13.823
  573    HA   SER  78           HA       SER  78  12.062 -11.580 -13.166
  574    HB2  SER  78           HB2      SER  78  10.299 -13.564 -14.610
  575    HB3  SER  78           HB3      SER  78  12.074 -13.635 -14.577
  576    HG   SER  78           HG       SER  78  11.215 -14.909 -12.917
  577    H    LEU  79           H        LEU  79  13.461 -11.698 -15.163
  578    HA   LEU  79           HA       LEU  79  12.304 -10.189 -17.470
  579    HB2  LEU  79           HB2      LEU  79  14.913  -9.635 -16.015
  580    HB3  LEU  79           HB3      LEU  79  14.384  -8.821 -17.488
  581    HG   LEU  79           HG       LEU  79  12.803  -8.622 -14.887
  582   HD11  LEU  79          HD11      LEU  79  13.951  -6.475 -14.567
  583   HD12  LEU  79          HD12      LEU  79  15.119  -7.797 -14.561
  584   HD13  LEU  79          HD13      LEU  79  14.954  -6.771 -16.007
  585   HD21  LEU  79          HD21      LEU  79  11.567  -8.054 -16.950
  586   HD22  LEU  79          HD22      LEU  79  11.855  -6.633 -15.947
  587   HD23  LEU  79          HD23      LEU  79  12.845  -6.893 -17.398
  588    H    CYS  80           H        CYS  80  12.965 -13.086 -17.099
  589    HA   CYS  80           HA       CYS  80  14.381 -13.546 -19.456
  590    HB2  CYS  80           HB2      CYS  80  16.561 -14.474 -18.609
  591    HB3  CYS  80           HB3      CYS  80  16.410 -12.756 -18.351
  592    H    GLY  81           H        GLY  81  12.428 -14.808 -17.045
  593    HA2  GLY  81           HA2      GLY  81  11.936 -17.197 -18.088
  594    HA3  GLY  81           HA3      GLY  81  13.379 -17.597 -17.154
  595    H    SER  82           H        SER  82  11.598 -19.056 -16.264
  596    HA   SER  82           HA       SER  82  10.241 -17.793 -13.930
  597    HB2  SER  82           HB2      SER  82   9.148 -20.031 -15.680
  598    HB3  SER  82           HB3      SER  82   8.342 -19.266 -14.301
  599    HG   SER  82           HG       SER  82   7.698 -18.466 -16.431
  600    H    GLY  83           H        GLY  83  10.798 -18.812 -11.999
  601    HA2  GLY  83           HA2      GLY  83  12.013 -20.155 -10.588
  602    HA3  GLY  83           HA3      GLY  83  11.596 -21.516 -11.646
  603    H    VAL  84           H        VAL  84  13.424 -18.589 -12.573
  604    HA   VAL  84           HA       VAL  84  15.368 -20.260 -13.918
  605    HB   VAL  84           HB       VAL  84  14.301 -18.552 -15.094
  606   HG11  VAL  84          HG11      VAL  84  14.624 -16.143 -14.757
  607   HG12  VAL  84          HG12      VAL  84  13.732 -16.878 -13.436
  608   HG13  VAL  84          HG13      VAL  84  15.452 -16.461 -13.215
  609   HG21  VAL  84          HG21      VAL  84  17.196 -17.708 -14.785
  610   HG22  VAL  84          HG22      VAL  84  16.610 -19.091 -15.748
  611   HG23  VAL  84          HG23      VAL  84  16.132 -17.442 -16.182
  612    H    ASN  85           H        ASN  85  15.942 -21.127 -11.812
  613    HA   ASN  85           HA       ASN  85  17.414 -21.623 -10.206
  614    HB2  ASN  85           HB2      ASN  85  19.176 -21.340 -11.938
  615    HB3  ASN  85           HB3      ASN  85  19.347 -19.648 -11.444
  616   HD21  ASN  85          HD22      ASN  85  21.664 -20.297 -10.969
  617   HD22  ASN  85          HD21      ASN  85  22.009 -21.090  -9.450
  618    H    LEU  86           H        LEU  86  15.421 -20.265  -9.506
  619    HA   LEU  86           HA       LEU  86  16.151 -18.279  -7.499
  620    HB2  LEU  86           HB2      LEU  86  16.029 -16.803  -9.293
  621    HB3  LEU  86           HB3      LEU  86  14.840 -17.721 -10.167
  622    HG   LEU  86           HG       LEU  86  13.955 -16.484  -7.579
  623   HD11  LEU  86          HD11      LEU  86  13.445 -14.356  -8.765
  624   HD12  LEU  86          HD12      LEU  86  15.187 -14.639  -8.654
  625   HD13  LEU  86          HD13      LEU  86  14.343 -14.939 -10.188
  626   HD21  LEU  86          HD21      LEU  86  12.727 -16.842 -10.384
  627   HD22  LEU  86          HD22      LEU  86  12.390 -17.879  -8.997
  628   HD23  LEU  86          HD23      LEU  86  11.867 -16.188  -8.968
  629    HA   PRO  87           HA       PRO  87  12.990 -20.787  -5.859
  630    HB2  PRO  87           HB2      PRO  87  12.157 -18.660  -3.916
  631    HB3  PRO  87           HB3      PRO  87  12.688 -20.335  -3.606
  632    HG2  PRO  87           HG2      PRO  87  14.380 -18.240  -3.188
  633    HG3  PRO  87           HG3      PRO  87  14.971 -19.774  -3.909
  634    HD2  PRO  87           HD2      PRO  87  14.224 -17.203  -5.332
  635    HD3  PRO  87           HD3      PRO  87  15.664 -18.245  -5.531
  636    HA   PRO  88           HA       PRO  88   9.364 -19.745  -8.029
  637    HB2  PRO  88           HB2      PRO  88   7.549 -21.658  -7.287
  638    HB3  PRO  88           HB3      PRO  88   9.036 -22.045  -8.204
  639    HG2  PRO  88           HG2      PRO  88   8.604 -22.235  -5.204
  640    HG3  PRO  88           HG3      PRO  88   9.287 -23.478  -6.306
  641    HD2  PRO  88           HD2      PRO  88  10.894 -21.831  -4.860
  642    HD3  PRO  88           HD3      PRO  88  11.315 -22.284  -6.541
  643    H    GLU  89           H        GLU  89   8.971 -19.625  -4.500
  644    HA   GLU  89           HA       GLU  89   6.383 -18.538  -4.510
  645    HB2  GLU  89           HB2      GLU  89   6.950 -17.602  -2.321
  646    HB3  GLU  89           HB3      GLU  89   7.618 -19.226  -2.480
  647    HG2  GLU  89           HG2      GLU  89   9.864 -18.228  -2.988
  648    HG3  GLU  89           HG3      GLU  89   9.170 -16.620  -2.786
  649    H    TRP  90           H        TRP  90   9.338 -17.115  -5.660
  650    HA   TRP  90           HA       TRP  90   8.431 -14.370  -5.593
  651    HB2  TRP  90           HB2      TRP  90  10.667 -15.823  -7.015
  652    HB3  TRP  90           HB3      TRP  90  10.452 -14.086  -7.102
  653    HD1  TRP  90           HD1      TRP  90  11.909 -16.717  -4.916
  654    HE1  TRP  90           HE1      TRP  90  12.554 -15.847  -2.590
  655    HE3  TRP  90           HE3      TRP  90   9.997 -12.019  -5.290
  656    HZ2  TRP  90           HZ2      TRP  90  12.111 -13.444  -1.027
  657    HZ3  TRP  90           HZ3      TRP  90  10.024 -10.478  -3.358
  658    HH2  TRP  90           HH2      TRP  90  11.067 -11.172  -1.228
  659    H    VAL  91           H        VAL  91   8.387 -16.977  -8.046
  660    HA   VAL  91           HA       VAL  91   7.272 -15.139  -9.958
  661    HB   VAL  91           HB       VAL  91   7.348 -16.835 -11.546
  662   HG11  VAL  91          HG11      VAL  91   9.513 -15.759 -10.792
  663   HG12  VAL  91          HG12      VAL  91   9.855 -17.250  -9.887
  664   HG13  VAL  91          HG13      VAL  91   9.674 -17.286 -11.658
  665   HG21  VAL  91          HG21      VAL  91   8.017 -18.913  -9.449
  666   HG22  VAL  91          HG22      VAL  91   6.492 -18.786 -10.338
  667   HG23  VAL  91          HG23      VAL  91   7.983 -19.157 -11.200
  668    H    THR  92           H        THR  92   5.865 -16.827  -7.375
  669    HA   THR  92           HA       THR  92   3.264 -16.728  -8.754
  670    HB   THR  92           HB       THR  92   2.611 -18.345  -6.982
  671    HG1  THR  92           HG1      THR  92   4.003 -18.943  -5.404
  672   HG21  THR  92          HG21      THR  92   5.293 -19.132  -8.169
  673   HG22  THR  92          HG22      THR  92   4.014 -20.220  -7.621
  674   HG23  THR  92          HG23      THR  92   3.749 -19.188  -9.047
  675    H    GLN  93           H        GLN  93   4.456 -14.215  -7.479
  676    HA   GLN  93           HA       GLN  93   2.558 -13.786  -5.368
  677    HB2  GLN  93           HB2      GLN  93   4.409 -11.817  -6.780
  678    HB3  GLN  93           HB3      GLN  93   3.327 -11.372  -5.470
  679    HG2  GLN  93           HG2      GLN  93   5.616 -13.351  -5.302
  680    HG3  GLN  93           HG3      GLN  93   5.465 -11.805  -4.466
  681   HE21  GLN  93          HE22      GLN  93   5.328 -15.044  -3.864
  682   HE22  GLN  93          HE21      GLN  93   4.129 -15.077  -2.579
  683    H    GLU  94           H        GLU  94   1.281 -11.413  -5.698
  684    HA   GLU  94           HA       GLU  94  -1.082 -12.416  -6.780
  685    HB2  GLU  94           HB2      GLU  94  -0.328  -9.503  -6.282
  686    HB3  GLU  94           HB3      GLU  94  -1.962 -10.095  -6.526
  687    HG2  GLU  94           HG2      GLU  94  -0.125 -10.865  -4.211
  688    HG3  GLU  94           HG3      GLU  94  -1.477  -9.743  -4.143
  689    H    ILE  95           H        ILE  95   1.440 -10.668  -8.414
  690    HA   ILE  95           HA       ILE  95   0.180 -11.276 -10.965
  691    HB   ILE  95           HB       ILE  95  -0.393  -8.964 -10.872
  692   HG12  ILE  95          HG12      ILE  95   2.224  -8.992 -12.431
  693   HG13  ILE  95          HG13      ILE  95   0.809  -9.903 -12.957
  694   HG21  ILE  95          HG21      ILE  95   1.430  -7.191 -10.471
  695   HG22  ILE  95          HG22      ILE  95   0.894  -8.095  -9.048
  696   HG23  ILE  95          HG23      ILE  95   2.429  -8.498  -9.848
  697   HD11  ILE  95          HD11      ILE  95   0.959  -7.731 -14.099
  698   HD12  ILE  95          HD12      ILE  95  -0.527  -7.864 -13.140
  699   HD13  ILE  95          HD13      ILE  95   0.828  -6.880 -12.563
  700    H    PHE  96           H        PHE  96   1.730 -12.059 -12.356
  701    HA   PHE  96           HA       PHE  96   4.557 -11.876 -11.552
  702    HB2  PHE  96           HB2      PHE  96   3.957 -14.084 -10.959
  703    HB3  PHE  96           HB3      PHE  96   3.205 -14.378 -12.537
  704    HD1  PHE  96           HD2      PHE  96   6.496 -13.061 -11.200
  705    HD2  PHE  96           HD1      PHE  96   4.508 -15.594 -14.078
  706    HE1  PHE  96           HE2      PHE  96   8.684 -13.704 -12.149
  707    HE2  PHE  96           HE1      PHE  96   6.711 -16.244 -15.012
  708    HZ   PHE  96           HZ       PHE  96   8.803 -15.305 -14.057
  709    H    GLU  97           H        GLU  97   5.846 -11.438 -13.447
  710    HA   GLU  97           HA       GLU  97   4.769 -11.801 -16.103
  711    HB2  GLU  97           HB2      GLU  97   5.899  -9.089 -15.373
  712    HB3  GLU  97           HB3      GLU  97   5.416  -9.621 -16.943
  713    HG2  GLU  97           HG2      GLU  97   3.426  -9.297 -14.652
  714    HG3  GLU  97           HG3      GLU  97   3.838  -8.030 -15.787
  715    H    ASP  98           H        ASP  98   6.668 -11.221 -17.644
  716    HA   ASP  98           HA       ASP  98   9.272 -11.647 -16.841
  717    HB2  ASP  98           HB2      ASP  98   8.673 -13.899 -16.090
  718    HB3  ASP  98           HB3      ASP  98   7.928 -14.240 -17.658
  719    H    TRP  99           H        TRP  99  10.522 -11.213 -18.655
  720    HA   TRP  99           HA       TRP  99   9.291 -11.336 -21.335
  721    HB2  TRP  99           HB2      TRP  99  10.216  -8.784 -19.987
  722    HB3  TRP  99           HB3      TRP  99   9.582  -8.899 -21.634
  723    HD1  TRP  99           HD1      TRP  99   6.754 -10.061 -21.287
  724    HE1  TRP  99           HE1      TRP  99   4.960  -9.005 -19.780
  725    HE3  TRP  99           HE3      TRP  99   9.772  -7.302 -18.226
  726    HZ2  TRP  99           HZ2      TRP  99   4.829  -6.954 -17.739
  727    HZ3  TRP  99           HZ3      TRP  99   8.801  -5.994 -16.413
  728    HH2  TRP  99           HH2      TRP  99   6.350  -5.730 -16.170
  729    H    GLN 100           H        GLN 100  10.961 -11.339 -22.925
  730    HA   GLN 100           HA       GLN 100  13.738 -11.459 -21.929
  731    HB2  GLN 100           HB2      GLN 100  12.857 -13.157 -23.506
  732    HB3  GLN 100           HB3      GLN 100  12.594 -11.904 -24.722
  733    HG2  GLN 100           HG2      GLN 100  15.056 -11.429 -24.727
  734    HG3  GLN 100           HG3      GLN 100  15.286 -12.665 -23.485
  735   HE21  GLN 100          HE22      GLN 100  14.113 -12.183 -26.882
  736   HE22  GLN 100          HE21      GLN 100  14.506 -13.802 -27.410
  737    H    LEU 101           H        LEU 101  13.826  -9.229 -21.212
  738    HA   LEU 101           HA       LEU 101  13.590  -7.035 -23.131
  739    HB2  LEU 101           HB2      LEU 101  14.759  -7.237 -20.339
  740    HB3  LEU 101           HB3      LEU 101  15.155  -5.880 -21.367
  741    HG   LEU 101           HG       LEU 101  13.397  -5.322 -19.911
  742   HD11  LEU 101          HD11      LEU 101  11.801  -4.327 -21.406
  743   HD12  LEU 101          HD12      LEU 101  13.386  -4.321 -22.208
  744   HD13  LEU 101          HD13      LEU 101  12.149  -5.503 -22.682
  745   HD21  LEU 101          HD21      LEU 101  12.451  -7.622 -19.638
  746   HD22  LEU 101          HD22      LEU 101  11.230  -6.343 -19.852
  747   HD23  LEU 101          HD23      LEU 101  11.651  -7.419 -21.213
  748    H    GLU 102           H        GLU 102  15.228  -6.112 -24.404
  749    HA   GLU 102           HA       GLU 102  17.659  -7.633 -24.780
  750    HB2  GLU 102           HB2      GLU 102  16.660  -5.010 -25.953
  751    HB3  GLU 102           HB3      GLU 102  18.240  -5.704 -26.323
  752    HG2  GLU 102           HG2      GLU 102  17.205  -7.736 -27.204
  753    HG3  GLU 102           HG3      GLU 102  15.590  -7.142 -26.786
  754    H    ASP 103           H        ASP 103  19.838  -6.535 -24.377
  755    HA   ASP 103           HA       ASP 103  19.732  -4.525 -22.262
  756    HB2  ASP 103           HB2      ASP 103  20.058  -6.664 -21.161
  757    HB3  ASP 103           HB3      ASP 103  21.482  -6.987 -22.168
  758    HA   PRO 104           HA       PRO 104  22.375  -2.826 -25.333
  759    HB2  PRO 104           HB2      PRO 104  22.750  -0.384 -24.375
  760    HB3  PRO 104           HB3      PRO 104  21.109  -0.992 -24.734
  761    HG2  PRO 104           HG2      PRO 104  22.483  -1.006 -22.012
  762    HG3  PRO 104           HG3      PRO 104  20.893  -0.271 -22.432
  763    HD2  PRO 104           HD2      PRO 104  21.055  -2.794 -21.454
  764    HD3  PRO 104           HD3      PRO 104  19.920  -2.383 -22.766
  765    H    ASP 105           H        ASP 105  23.794  -3.729 -22.274
  766    HA   ASP 105           HA       ASP 105  26.005  -2.124 -22.019
  767    HB2  ASP 105           HB2      ASP 105  25.530  -3.691 -20.323
  768    HB3  ASP 105           HB3      ASP 105  25.704  -5.062 -21.426
  769    H    GLY 106           H        GLY 106  25.920  -5.154 -23.911
  770    HA2  GLY 106           HA2      GLY 106  28.710  -4.898 -24.680
  771    HA3  GLY 106           HA3      GLY 106  27.590  -6.187 -25.142
  772    H    GLN 107           H        GLN 107  26.353  -3.002 -25.895
  773    HA   GLN 107           HA       GLN 107  27.298  -3.136 -28.678
  774    HB2  GLN 107           HB2      GLN 107  25.044  -3.493 -29.592
  775    HB3  GLN 107           HB3      GLN 107  25.643  -4.859 -28.662
  776    HG2  GLN 107           HG2      GLN 107  24.266  -4.027 -26.696
  777    HG3  GLN 107           HG3      GLN 107  23.584  -2.823 -27.793
  778   HE21  GLN 107          HE22      GLN 107  22.425  -5.409 -26.323
  779   HE22  GLN 107          HE21      GLN 107  21.695  -6.305 -27.633
  780    H    SER 108           H        SER 108  25.318  -1.596 -29.857
  781    HA   SER 108           HA       SER 108  26.485   0.822 -29.371
  782    HB2  SER 108           HB2      SER 108  23.954   0.449 -31.006
  783    HB3  SER 108           HB3      SER 108  25.296   1.560 -31.306
  784    HG   SER 108           HG       SER 108  25.418  -0.280 -32.672
  785    H    LEU 109           H        LEU 109  25.697   2.951 -29.097
  786    HA   LEU 109           HA       LEU 109  24.087   3.676 -26.953
  787    HB2  LEU 109           HB2      LEU 109  25.768   5.045 -28.153
  788    HB3  LEU 109           HB3      LEU 109  24.730   5.096 -29.575
  789    HG   LEU 109           HG       LEU 109  23.038   6.397 -28.301
  790   HD11  LEU 109          HD11      LEU 109  23.715   7.345 -26.075
  791   HD12  LEU 109          HD12      LEU 109  23.419   5.605 -26.023
  792   HD13  LEU 109          HD13      LEU 109  25.089   6.211 -26.050
  793   HD21  LEU 109          HD21      LEU 109  24.793   7.522 -29.601
  794   HD22  LEU 109          HD22      LEU 109  24.368   8.469 -28.163
  795   HD23  LEU 109          HD23      LEU 109  25.869   7.514 -28.190
  796    H    GLU 110           H        GLU 110  23.163   3.109 -30.356
  797    HA   GLU 110           HA       GLU 110  20.524   4.057 -30.157
  798    HB2  GLU 110           HB2      GLU 110  22.000   3.285 -32.211
  799    HB3  GLU 110           HB3      GLU 110  21.283   1.709 -31.893
  800    HG2  GLU 110           HG2      GLU 110  19.892   2.646 -33.499
  801    HG3  GLU 110           HG3      GLU 110  18.994   2.945 -32.013
  802    H    VAL 111           H        VAL 111  21.920   0.993 -29.080
  803    HA   VAL 111           HA       VAL 111  19.340  -0.214 -28.624
  804    HB   VAL 111           HB       VAL 111  21.973  -1.161 -27.515
  805   HG11  VAL 111          HG11      VAL 111  19.978  -2.258 -26.566
  806   HG12  VAL 111          HG12      VAL 111  19.351  -2.569 -28.198
  807   HG13  VAL 111          HG13      VAL 111  20.819  -3.379 -27.627
  808   HG21  VAL 111          HG21      VAL 111  22.037  -2.656 -29.583
  809   HG22  VAL 111          HG22      VAL 111  20.727  -1.684 -30.261
  810   HG23  VAL 111          HG23      VAL 111  22.319  -0.963 -29.937
  811    H    PHE 112           H        PHE 112  21.801   1.517 -26.579
  812    HA   PHE 112           HA       PHE 112  20.365   1.317 -24.106
  813    HB2  PHE 112           HB2      PHE 112  22.096   3.562 -25.234
  814    HB3  PHE 112           HB3      PHE 112  21.318   3.650 -23.675
  815    HD1  PHE 112           HD2      PHE 112  22.010   2.232 -21.777
  816    HD2  PHE 112           HD1      PHE 112  24.059   2.058 -25.570
  817    HE1  PHE 112           HE2      PHE 112  23.833   0.920 -20.744
  818    HE2  PHE 112           HE1      PHE 112  25.889   0.777 -24.524
  819    HZ   PHE 112           HZ       PHE 112  25.770   0.168 -22.123
  820    H    ARG 113           H        ARG 113  20.029   3.743 -26.748
  821    HA   ARG 113           HA       ARG 113  17.846   5.192 -25.634
  822    HB2  ARG 113           HB2      ARG 113  18.650   4.609 -28.521
  823    HB3  ARG 113           HB3      ARG 113  17.389   5.761 -28.094
  824    HG2  ARG 113           HG2      ARG 113  18.874   7.296 -27.158
  825    HG3  ARG 113           HG3      ARG 113  20.157   6.098 -26.885
  826    HD2  ARG 113           HD2      ARG 113  20.674   5.939 -29.194
  827    HD3  ARG 113           HD3      ARG 113  19.199   6.812 -29.673
  828    HE   ARG 113           HE       ARG 113  20.794   8.511 -28.044
  829   HH11  ARG 113          HH11      ARG 113  20.717   7.059 -31.316
  830   HH12  ARG 113          HH12      ARG 113  21.647   8.334 -32.036
  831   HH21  ARG 113          HH21      ARG 113  22.002  10.218 -29.036
  832   HH22  ARG 113          HH22      ARG 113  22.384  10.165 -30.716
  833    H    THR 114           H        THR 114  17.773   2.263 -27.787
  834    HA   THR 114           HA       THR 114  14.971   2.077 -27.974
  835    HB   THR 114           HB       THR 114  17.347   0.194 -28.224
  836    HG1  THR 114           HG1      THR 114  17.298   1.614 -29.864
  837   HG21  THR 114          HG21      THR 114  15.573  -1.258 -27.660
  838   HG22  THR 114          HG22      THR 114  14.452  -0.446 -28.783
  839   HG23  THR 114          HG23      THR 114  15.855  -1.383 -29.401
  840    H    VAL 115           H        VAL 115  17.301   0.497 -25.654
  841    HA   VAL 115           HA       VAL 115  15.219  -1.059 -24.543
  842    HB   VAL 115           HB       VAL 115  18.072  -0.517 -23.665
  843   HG11  VAL 115          HG11      VAL 115  17.801  -2.498 -22.142
  844   HG12  VAL 115          HG12      VAL 115  16.830  -1.119 -21.617
  845   HG13  VAL 115          HG13      VAL 115  16.065  -2.486 -22.468
  846   HG21  VAL 115          HG21      VAL 115  16.665  -2.960 -24.856
  847   HG22  VAL 115          HG22      VAL 115  17.658  -1.843 -25.789
  848   HG23  VAL 115          HG23      VAL 115  18.403  -2.823 -24.518
  849    H    ARG 116           H        ARG 116  16.445   2.170 -23.653
  850    HA   ARG 116           HA       ARG 116  14.964   2.342 -21.230
  851    HB2  ARG 116           HB2      ARG 116  15.665   4.489 -23.301
  852    HB3  ARG 116           HB3      ARG 116  14.755   4.828 -21.819
  853    HG2  ARG 116           HG2      ARG 116  16.666   3.780 -20.519
  854    HG3  ARG 116           HG3      ARG 116  17.619   3.812 -21.997
  855    HD2  ARG 116           HD2      ARG 116  16.299   6.290 -20.788
  856    HD3  ARG 116           HD3      ARG 116  17.891   5.740 -20.330
  857    HE   ARG 116           HE       ARG 116  18.818   6.356 -22.319
  858   HH11  ARG 116          HH11      ARG 116  15.312   7.064 -22.544
  859   HH12  ARG 116          HH12      ARG 116  15.504   8.134 -23.878
  860   HH21  ARG 116          HH21      ARG 116  19.031   7.819 -24.063
  861   HH22  ARG 116          HH22      ARG 116  17.638   8.566 -24.748
  862    H    GLY 117           H        GLY 117  13.894   2.949 -24.620
  863    HA2  GLY 117           HA2      GLY 117  11.187   3.564 -24.012
  864    HA3  GLY 117           HA3      GLY 117  11.796   2.918 -25.548
  865    H    GLN 118           H        GLN 118  12.700   0.411 -24.930
  866    HA   GLN 118           HA       GLN 118  10.410  -1.203 -24.925
  867    HB2  GLN 118           HB2      GLN 118  13.230  -1.947 -24.050
  868    HB3  GLN 118           HB3      GLN 118  11.914  -3.092 -24.311
  869    HG2  GLN 118           HG2      GLN 118  11.696  -2.282 -26.658
  870    HG3  GLN 118           HG3      GLN 118  13.141  -1.294 -26.422
  871   HE21  GLN 118          HE22      GLN 118  12.986  -3.239 -28.413
  872   HE22  GLN 118          HE21      GLN 118  14.194  -4.475 -28.059
  873    H    VAL 119           H        VAL 119  12.667  -0.593 -22.262
  874    HA   VAL 119           HA       VAL 119  11.227  -2.168 -20.332
  875    HB   VAL 119           HB       VAL 119  13.344   0.004 -19.995
  876   HG11  VAL 119          HG11      VAL 119  12.298  -2.065 -18.005
  877   HG12  VAL 119          HG12      VAL 119  13.716  -0.999 -17.777
  878   HG13  VAL 119          HG13      VAL 119  12.086  -0.314 -17.871
  879   HG21  VAL 119          HG21      VAL 119  14.025  -2.102 -21.269
  880   HG22  VAL 119          HG22      VAL 119  14.910  -1.837 -19.767
  881   HG23  VAL 119          HG23      VAL 119  13.597  -3.034 -19.827
  882    H    LYS 120           H        LYS 120  11.268   1.425 -20.969
  883    HA   LYS 120           HA       LYS 120   9.648   2.183 -18.800
  884    HB2  LYS 120           HB2      LYS 120  10.826   3.708 -20.414
  885    HB3  LYS 120           HB3      LYS 120   9.613   3.281 -21.653
  886    HG2  LYS 120           HG2      LYS 120   7.847   4.287 -20.299
  887    HG3  LYS 120           HG3      LYS 120   8.982   4.608 -18.972
  888    HD2  LYS 120           HD2      LYS 120  10.282   6.125 -20.384
  889    HD3  LYS 120           HD3      LYS 120   9.264   5.781 -21.786
  890    HE2  LYS 120           HE2      LYS 120   8.216   7.027 -19.190
  891    HE3  LYS 120           HE3      LYS 120   8.823   7.973 -20.552
  892    HZ1  LYS 120           HZ1      LYS 120   6.445   7.789 -20.679
  893    HZ2  LYS 120           HZ2      LYS 120   7.084   6.986 -21.946
  894    HZ3  LYS 120           HZ3      LYS 120   6.458   6.157 -20.661
  895    H    GLU 121           H        GLU 121   8.670   1.088 -22.092
  896    HA   GLU 121           HA       GLU 121   5.904   1.422 -21.640
  897    HB2  GLU 121           HB2      GLU 121   7.026   1.391 -23.803
  898    HB3  GLU 121           HB3      GLU 121   7.461  -0.311 -23.601
  899    HG2  GLU 121           HG2      GLU 121   5.095  -0.973 -23.584
  900    HG3  GLU 121           HG3      GLU 121   4.592   0.720 -23.663
  901    H    ARG 122           H        ARG 122   7.986  -1.542 -21.311
  902    HA   ARG 122           HA       ARG 122   5.781  -3.246 -20.555
  903    HB2  ARG 122           HB2      ARG 122   8.757  -3.556 -20.025
  904    HB3  ARG 122           HB3      ARG 122   7.508  -4.754 -19.643
  905    HG2  ARG 122           HG2      ARG 122   6.825  -4.399 -22.219
  906    HG3  ARG 122           HG3      ARG 122   8.505  -3.852 -22.353
  907    HD2  ARG 122           HD2      ARG 122   9.210  -6.006 -21.267
  908    HD3  ARG 122           HD3      ARG 122   7.507  -6.483 -21.241
  909    HE   ARG 122           HE       ARG 122   9.254  -6.119 -23.640
  910   HH11  ARG 122          HH21      ARG 122   6.168  -7.349 -22.336
  911   HH12  ARG 122          HH22      ARG 122   5.715  -8.139 -23.802
  912   HH21  ARG 122          HH11      ARG 122   8.658  -7.221 -25.561
  913   HH22  ARG 122          HH12      ARG 122   7.171  -8.086 -25.659
  914    H    VAL 123           H        VAL 123   8.068  -1.313 -18.590
  915    HA   VAL 123           HA       VAL 123   6.990  -2.151 -16.087
  916    HB   VAL 123           HB       VAL 123   8.532   0.276 -16.904
  917   HG11  VAL 123          HG11      VAL 123   9.102   0.561 -14.521
  918   HG12  VAL 123          HG12      VAL 123   7.369   0.782 -14.795
  919   HG13  VAL 123          HG13      VAL 123   7.953  -0.735 -14.089
  920   HG21  VAL 123          HG21      VAL 123   9.727  -1.947 -17.119
  921   HG22  VAL 123          HG22      VAL 123  10.462  -0.865 -15.927
  922   HG23  VAL 123          HG23      VAL 123   9.441  -2.219 -15.393
  923    H    GLU 124           H        GLU 124   6.096   0.636 -18.270
  924    HA   GLU 124           HA       GLU 124   4.129   1.700 -16.542
  925    HB2  GLU 124           HB2      GLU 124   4.495   1.760 -19.560
  926    HB3  GLU 124           HB3      GLU 124   3.010   2.357 -18.829
  927    HG2  GLU 124           HG2      GLU 124   4.384   3.880 -17.367
  928    HG3  GLU 124           HG3      GLU 124   5.804   3.410 -18.311
  929    H    ASN 125           H        ASN 125   3.878  -0.927 -18.940
  930    HA   ASN 125           HA       ASN 125   1.075  -1.264 -18.722
  931    HB2  ASN 125           HB2      ASN 125   2.394  -2.292 -20.529
  932    HB3  ASN 125           HB3      ASN 125   3.194  -3.358 -19.366
  933   HD21  ASN 125          HD22      ASN 125  -0.011  -2.590 -20.846
  934   HD22  ASN 125          HD21      ASN 125  -0.717  -4.140 -20.485
  935    H    LEU 126           H        LEU 126   3.726  -2.846 -16.877
  936    HA   LEU 126           HA       LEU 126   2.176  -4.538 -15.240
  937    HB2  LEU 126           HB2      LEU 126   4.503  -4.733 -15.552
  938    HB3  LEU 126           HB3      LEU 126   4.848  -3.156 -14.871
  939    HG   LEU 126           HG       LEU 126   5.325  -5.279 -13.568
  940   HD11  LEU 126          HD11      LEU 126   3.856  -3.132 -12.011
  941   HD12  LEU 126          HD12      LEU 126   5.164  -4.216 -11.449
  942   HD13  LEU 126          HD13      LEU 126   5.511  -2.977 -12.646
  943   HD21  LEU 126          HD21      LEU 126   3.171  -6.395 -13.771
  944   HD22  LEU 126          HD22      LEU 126   3.626  -6.163 -12.075
  945   HD23  LEU 126          HD23      LEU 126   2.402  -5.125 -12.783
  946    H    ILE 127           H        ILE 127   3.272  -1.128 -14.663
  947    HA   ILE 127           HA       ILE 127   2.032  -0.832 -12.084
  948    HB   ILE 127           HB       ILE 127   2.962   1.106 -14.250
  949   HG12  ILE 127          HG12      ILE 127   4.240   0.139 -11.655
  950   HG13  ILE 127          HG13      ILE 127   4.681  -0.482 -13.217
  951   HG21  ILE 127          HG21      ILE 127   2.293   1.668 -11.328
  952   HG22  ILE 127          HG22      ILE 127   2.957   2.837 -12.504
  953   HG23  ILE 127          HG23      ILE 127   1.335   2.197 -12.730
  954   HD11  ILE 127          HD11      ILE 127   5.126   2.339 -12.241
  955   HD12  ILE 127          HD12      ILE 127   6.327   1.101 -12.618
  956   HD13  ILE 127          HD13      ILE 127   5.354   1.807 -13.937
  957    H    ALA 128           H        ALA 128   0.898  -0.061 -15.453
  958    HA   ALA 128           HA       ALA 128  -1.540   1.096 -14.666
  959    HB1  ALA 128           HB1      ALA 128  -0.573   1.280 -16.939
  960    HB2  ALA 128           HB2      ALA 128  -0.909  -0.447 -17.218
  961    HB3  ALA 128           HB3      ALA 128  -2.244   0.700 -16.986
  962    H    LYS 129           H        LYS 129  -0.664  -2.362 -14.929
  963    HA   LYS 129           HA       LYS 129  -3.382  -3.289 -14.693
  964    HB2  LYS 129           HB2      LYS 129  -0.717  -4.637 -14.121
  965    HB3  LYS 129           HB3      LYS 129  -2.272  -5.428 -13.885
  966    HG2  LYS 129           HG2      LYS 129  -2.839  -5.168 -16.247
  967    HG3  LYS 129           HG3      LYS 129  -1.321  -4.308 -16.557
  968    HD2  LYS 129           HD2      LYS 129  -0.020  -6.279 -15.873
  969    HD3  LYS 129           HD3      LYS 129  -1.526  -7.151 -15.481
  970    HE2  LYS 129           HE2      LYS 129  -2.237  -6.748 -17.920
  971    HE3  LYS 129           HE3      LYS 129  -0.577  -6.213 -18.222
  972    HZ1  LYS 129           HZ1      LYS 129   0.147  -8.454 -17.405
  973    HZ2  LYS 129           HZ2      LYS 129  -1.422  -8.911 -17.321
  974    HZ3  LYS 129           HZ3      LYS 129  -0.771  -8.521 -18.769
  975    H    ILE 130           H        ILE 130  -0.708  -2.962 -12.299
  976    HA   ILE 130           HA       ILE 130  -2.446  -3.805 -10.236
  977    HB   ILE 130           HB       ILE 130  -0.586  -3.493  -8.748
  978   HG12  ILE 130          HG12      ILE 130   0.817  -2.268 -11.129
  979   HG13  ILE 130          HG13      ILE 130   0.462  -1.482  -9.600
  980   HG21  ILE 130          HG21      ILE 130   0.730  -5.254  -9.642
  981   HG22  ILE 130          HG22      ILE 130  -0.904  -5.520 -10.236
  982   HG23  ILE 130          HG23      ILE 130   0.325  -4.822 -11.323
  983   HD11  ILE 130          HD11      ILE 130   2.418  -3.765 -10.038
  984   HD12  ILE 130          HD12      ILE 130   2.804  -2.074  -9.734
  985   HD13  ILE 130          HD13      ILE 130   2.021  -3.028  -8.455
  986    H    SER 131           H        SER 131  -1.400  -0.542 -11.131
  987    HA   SER 131           HA       SER 131  -2.538   0.583  -8.709
  988    HB2  SER 131           HB2      SER 131  -0.575   1.610 -10.752
  989    HB3  SER 131           HB3      SER 131  -1.213   2.561  -9.387
  990    HG   SER 131           HG       SER 131   0.806   1.422  -8.916
  Start of MODEL    3
    1    H    MET   1           H        MET   1   2.350   0.096   1.295
    2    HA   MET   1           HA       MET   1   0.922   0.742  -1.203
    3    HB2  MET   1           HB2      MET   1   2.633   2.136  -1.906
    4    HB3  MET   1           HB3      MET   1   2.480   2.549  -0.220
    5    HG2  MET   1           HG2      MET   1   4.448   0.801   0.097
    6    HG3  MET   1           HG3      MET   1   4.682   1.062  -1.640
    7    HE1  MET   1           HE1      MET   1   5.961   4.690  -1.886
    8    HE2  MET   1           HE2      MET   1   6.054   3.070  -2.603
    9    HE3  MET   1           HE3      MET   1   4.474   3.883  -2.426
   10    H    LYS   2           H        LYS   2   1.844  -0.300  -3.187
   11    HA   LYS   2           HA       LYS   2   2.335  -3.123  -2.579
   12    HB2  LYS   2           HB2      LYS   2   2.582  -2.164  -5.401
   13    HB3  LYS   2           HB3      LYS   2   1.872  -3.609  -4.767
   14    HG2  LYS   2           HG2      LYS   2  -0.123  -2.387  -3.989
   15    HG3  LYS   2           HG3      LYS   2   0.594  -0.855  -4.509
   16    HD2  LYS   2           HD2      LYS   2   0.766  -1.895  -6.856
   17    HD3  LYS   2           HD3      LYS   2  -0.370  -3.117  -6.277
   18    HE2  LYS   2           HE2      LYS   2  -0.840  -0.089  -6.129
   19    HE3  LYS   2           HE3      LYS   2  -1.302  -1.054  -7.512
   20    HZ1  LYS   2           HZ1      LYS   2  -2.800  -2.335  -6.086
   21    HZ2  LYS   2           HZ2      LYS   2  -2.374  -1.464  -4.757
   22    HZ3  LYS   2           HZ3      LYS   2  -3.162  -0.755  -5.998
   23    H    LYS   3           H        LYS   3   4.373  -4.130  -2.438
   24    HA   LYS   3           HA       LYS   3   6.692  -2.489  -3.378
   25    HB2  LYS   3           HB2      LYS   3   6.965  -5.040  -1.807
   26    HB3  LYS   3           HB3      LYS   3   8.140  -3.729  -2.084
   27    HG2  LYS   3           HG2      LYS   3   6.743  -2.236  -0.640
   28    HG3  LYS   3           HG3      LYS   3   5.644  -3.596  -0.330
   29    HD2  LYS   3           HD2      LYS   3   7.513  -4.913   0.624
   30    HD3  LYS   3           HD3      LYS   3   8.624  -3.544   0.336
   31    HE2  LYS   3           HE2      LYS   3   7.232  -2.098   1.773
   32    HE3  LYS   3           HE3      LYS   3   6.089  -3.423   2.030
   33    HZ1  LYS   3           HZ1      LYS   3   7.594  -3.332   3.897
   34    HZ2  LYS   3           HZ2      LYS   3   7.957  -4.696   3.053
   35    HZ3  LYS   3           HZ3      LYS   3   8.923  -3.376   2.943
   36    H    VAL   4           H        VAL   4   7.950  -3.128  -4.954
   37    HA   VAL   4           HA       VAL   4   6.987  -5.352  -6.660
   38    HB   VAL   4           HB       VAL   4   8.371  -2.790  -7.469
   39   HG11  VAL   4          HG11      VAL   4   6.669  -4.729  -9.069
   40   HG12  VAL   4          HG12      VAL   4   7.333  -3.216  -9.689
   41   HG13  VAL   4          HG13      VAL   4   8.427  -4.524  -9.206
   42   HG21  VAL   4          HG21      VAL   4   6.493  -1.607  -7.887
   43   HG22  VAL   4          HG22      VAL   4   5.399  -3.012  -7.911
   44   HG23  VAL   4          HG23      VAL   4   6.007  -2.362  -6.380
   45    H    MET   5           H        MET   5   8.622  -6.463  -7.771
   46    HA   MET   5           HA       MET   5  11.452  -5.797  -7.303
   47    HB2  MET   5           HB2      MET   5  10.367  -8.655  -7.088
   48    HB3  MET   5           HB3      MET   5  12.063  -8.190  -7.156
   49    HG2  MET   5           HG2      MET   5  11.418  -6.759  -5.000
   50    HG3  MET   5           HG3      MET   5  10.133  -7.968  -4.881
   51    HE1  MET   5           HE1      MET   5  12.418  -7.506  -2.654
   52    HE2  MET   5           HE2      MET   5  11.071  -8.668  -2.563
   53    HE3  MET   5           HE3      MET   5  12.742  -9.205  -2.233
   54    H    PHE   6           H        PHE   6  12.790  -6.358  -9.013
   55    HA   PHE   6           HA       PHE   6  11.633  -7.604 -11.394
   56    HB2  PHE   6           HB2      PHE   6  13.222  -4.987 -11.493
   57    HB3  PHE   6           HB3      PHE   6  12.712  -5.951 -12.867
   58    HD1  PHE   6           HD1      PHE   6  11.530  -3.684 -10.173
   59    HD2  PHE   6           HD2      PHE   6  10.508  -5.771 -13.808
   60    HE1  PHE   6           HE1      PHE   6   9.482  -2.329 -10.388
   61    HE2  PHE   6           HE2      PHE   6   8.443  -4.416 -14.011
   62    HZ   PHE   6           HZ       PHE   6   7.933  -2.674 -12.299
   63    H    VAL   7           H        VAL   7  13.104  -9.270 -11.830
   64    HA   VAL   7           HA       VAL   7  15.922  -8.869 -10.976
   65    HB   VAL   7           HB       VAL   7  14.976  -9.497  -8.963
   66   HG11  VAL   7          HG11      VAL   7  13.212 -11.532 -10.352
   67   HG12  VAL   7          HG12      VAL   7  13.415 -11.422  -8.590
   68   HG13  VAL   7          HG13      VAL   7  12.721 -10.062  -9.461
   69   HG21  VAL   7          HG21      VAL   7  15.783 -12.215 -10.064
   70   HG22  VAL   7          HG22      VAL   7  16.920 -10.942  -9.568
   71   HG23  VAL   7          HG23      VAL   7  15.829 -11.668  -8.379
   72    H    CYS   8           H        CYS   8  17.382 -10.064 -11.981
   73    HA   CYS   8           HA       CYS   8  16.597 -12.275 -13.816
   74    HB2  CYS   8           HB2      CYS   8  17.220 -10.041 -14.936
   75    HB3  CYS   8           HB3      CYS   8  18.817 -10.221 -14.236
   76    H    LYS   9           H        LYS   9  19.076 -13.397 -14.222
   77    HA   LYS   9           HA       LYS   9  19.608 -14.635 -11.728
   78    HB2  LYS   9           HB2      LYS   9  19.996 -15.629 -13.978
   79    HB3  LYS   9           HB3      LYS   9  21.402 -14.568 -14.195
   80    HG2  LYS   9           HG2      LYS   9  22.526 -15.633 -12.267
   81    HG3  LYS   9           HG3      LYS   9  21.065 -16.553 -11.897
   82    HD2  LYS   9           HD2      LYS   9  22.647 -18.013 -12.960
   83    HD3  LYS   9           HD3      LYS   9  21.268 -17.774 -14.039
   84    HE2  LYS   9           HE2      LYS   9  22.587 -16.130 -15.372
   85    HE3  LYS   9           HE3      LYS   9  23.949 -16.304 -14.251
   86    HZ1  LYS   9           HZ1      LYS   9  22.860 -18.472 -15.968
   87    HZ2  LYS   9           HZ2      LYS   9  24.247 -17.651 -16.230
   88    HZ3  LYS   9           HZ3      LYS   9  24.126 -18.631 -14.932
   89    H    ARG  10           H        ARG  10  21.348 -11.938 -13.333
   90    HA   ARG  10           HA       ARG  10  22.713 -11.420 -10.726
   91    HB2  ARG  10           HB2      ARG  10  23.910 -11.465 -13.534
   92    HB3  ARG  10           HB3      ARG  10  24.620 -10.452 -12.266
   93    HG2  ARG  10           HG2      ARG  10  24.871 -12.375 -10.783
   94    HG3  ARG  10           HG3      ARG  10  24.171 -13.452 -12.004
   95    HD2  ARG  10           HD2      ARG  10  26.059 -13.079 -13.490
   96    HD3  ARG  10           HD3      ARG  10  26.713 -11.824 -12.407
   97    HE   ARG  10           HE       ARG  10  26.437 -14.080 -10.798
   98   HH11  ARG  10          HH11      ARG  10  28.373 -13.332 -13.701
   99   HH12  ARG  10          HH12      ARG  10  29.645 -14.417 -13.253
  100   HH21  ARG  10          HH21      ARG  10  27.980 -15.399 -10.236
  101   HH22  ARG  10          HH22      ARG  10  29.431 -15.681 -11.181
  102    H    ASN  11           H        ASN  11  23.343  -9.134 -10.476
  103    HA   ASN  11           HA       ASN  11  21.045  -7.473 -11.097
  104    HB2  ASN  11           HB2      ASN  11  22.641  -7.471  -9.006
  105    HB3  ASN  11           HB3      ASN  11  23.612  -6.351  -9.984
  106   HD21  ASN  11          HD22      ASN  11  21.519  -4.748 -11.213
  107   HD22  ASN  11          HD21      ASN  11  20.551  -4.057  -9.921
  108    H    SER  12           H        SER  12  24.323  -7.842 -12.440
  109    HA   SER  12           HA       SER  12  24.638  -5.328 -13.553
  110    HB2  SER  12           HB2      SER  12  25.840  -7.840 -14.738
  111    HB3  SER  12           HB3      SER  12  26.586  -6.252 -14.489
  112    HG   SER  12           HG       SER  12  27.305  -7.792 -12.947
  113    H    SER  13           H        SER  13  22.688  -7.980 -14.808
  114    HA   SER  13           HA       SER  13  22.421  -6.582 -17.423
  115    HB2  SER  13           HB2      SER  13  23.886  -8.702 -17.396
  116    HB3  SER  13           HB3      SER  13  22.398  -9.595 -17.046
  117    HG   SER  13           HG       SER  13  23.254  -8.332 -19.385
  118    H    ARG  14           H        ARG  14  20.363  -6.270 -18.020
  119    HA   ARG  14           HA       ARG  14  18.167  -6.068 -18.059
  120    HB2  ARG  14           HB2      ARG  14  18.031  -8.867 -16.883
  121    HB3  ARG  14           HB3      ARG  14  16.651  -7.926 -17.431
  122    HG2  ARG  14           HG2      ARG  14  17.048  -9.270 -19.173
  123    HG3  ARG  14           HG3      ARG  14  17.813  -7.765 -19.699
  124    HD2  ARG  14           HD2      ARG  14  20.021  -8.687 -19.242
  125    HD3  ARG  14           HD3      ARG  14  19.329 -10.098 -18.413
  126    HE   ARG  14           HE       ARG  14  18.097 -10.105 -20.823
  127   HH11  ARG  14          HH21      ARG  14  21.575 -10.013 -19.979
  128   HH12  ARG  14          HH22      ARG  14  22.067 -10.997 -21.314
  129   HH21  ARG  14          HH11      ARG  14  18.786 -11.386 -22.632
  130   HH22  ARG  14          HH12      ARG  14  20.453 -11.759 -22.880
  131    H    SER  15           H        SER  15  19.116  -7.228 -14.772
  132    HA   SER  15           HA       SER  15  16.988  -5.775 -13.513
  133    HB2  SER  15           HB2      SER  15  19.491  -6.617 -12.100
  134    HB3  SER  15           HB3      SER  15  17.825  -6.619 -11.518
  135    HG   SER  15           HG       SER  15  19.239  -8.590 -12.790
  136    H    GLN  16           H        GLN  16  18.148  -3.925 -15.236
  137    HA   GLN  16           HA       GLN  16  18.944  -1.844 -13.425
  138    HB2  GLN  16           HB2      GLN  16  20.641  -0.971 -14.706
  139    HB3  GLN  16           HB3      GLN  16  21.042  -2.661 -14.427
  140    HG2  GLN  16           HG2      GLN  16  20.045  -3.083 -16.798
  141    HG3  GLN  16           HG3      GLN  16  20.084  -1.311 -16.987
  142   HE21  GLN  16          HE22      GLN  16  21.864  -3.743 -18.177
  143   HE22  GLN  16          HE21      GLN  16  23.479  -3.276 -17.733
  144    H    MET  17           H        MET  17  17.901   0.091 -14.252
  145    HA   MET  17           HA       MET  17  16.555   1.417 -15.409
  146    HB2  MET  17           HB2      MET  17  17.846   0.959 -17.391
  147    HB3  MET  17           HB3      MET  17  16.901  -0.475 -17.739
  148    HG2  MET  17           HG2      MET  17  15.993   0.890 -19.189
  149    HG3  MET  17           HG3      MET  17  14.856   1.121 -17.882
  150    HE1  MET  17           HE1      MET  17  16.711   3.469 -16.059
  151    HE2  MET  17           HE2      MET  17  15.927   4.869 -16.787
  152    HE3  MET  17           HE3      MET  17  14.933   3.466 -16.316
  153    H    ALA  18           H        ALA  18  15.537  -2.032 -15.369
  154    HA   ALA  18           HA       ALA  18  12.761  -1.469 -15.815
  155    HB1  ALA  18           HB1      ALA  18  14.077  -3.780 -14.309
  156    HB2  ALA  18           HB2      ALA  18  12.389  -3.727 -14.866
  157    HB3  ALA  18           HB3      ALA  18  13.714  -3.739 -16.049
  158    H    GLU  19           H        GLU  19  14.627  -1.879 -12.802
  159    HA   GLU  19           HA       GLU  19  12.559  -1.109 -11.014
  160    HB2  GLU  19           HB2      GLU  19  14.294  -0.960  -9.392
  161    HB3  GLU  19           HB3      GLU  19  14.682  -2.294 -10.460
  162    HG2  GLU  19           HG2      GLU  19  16.034   0.454 -10.452
  163    HG3  GLU  19           HG3      GLU  19  16.674  -1.015  -9.770
  164    H    GLY  20           H        GLY  20  14.966   0.691 -12.894
  165    HA2  GLY  20           HA2      GLY  20  14.820   3.196 -11.631
  166    HA3  GLY  20           HA3      GLY  20  15.276   2.912 -13.322
  167    H    PHE  21           H        PHE  21  13.123   2.043 -14.625
  168    HA   PHE  21           HA       PHE  21  11.413   4.322 -14.767
  169    HB2  PHE  21           HB2      PHE  21  11.427   1.556 -15.975
  170    HB3  PHE  21           HB3      PHE  21   9.951   2.493 -16.077
  171    HD1  PHE  21           HD2      PHE  21  10.517   5.205 -16.561
  172    HD2  PHE  21           HD1      PHE  21  12.674   1.709 -17.908
  173    HE1  PHE  21           HE2      PHE  21  11.294   6.438 -18.592
  174    HE2  PHE  21           HE1      PHE  21  13.500   2.962 -19.883
  175    HZ   PHE  21           HZ       PHE  21  12.759   5.308 -20.258
  176    H    ALA  22           H        ALA  22  11.069   1.215 -13.013
  177    HA   ALA  22           HA       ALA  22   8.316   1.659 -12.536
  178    HB1  ALA  22           HB1      ALA  22  10.344   0.090 -10.875
  179    HB2  ALA  22           HB2      ALA  22   8.571  -0.094 -10.795
  180    HB3  ALA  22           HB3      ALA  22   9.467  -0.526 -12.285
  181    H    LYS  23           H        LYS  23  11.197   2.705 -10.655
  182    HA   LYS  23           HA       LYS  23   9.575   3.900  -8.606
  183    HB2  LYS  23           HB2      LYS  23  11.550   4.001  -7.676
  184    HB3  LYS  23           HB3      LYS  23  12.397   3.658  -9.154
  185    HG2  LYS  23           HG2      LYS  23  11.522   6.513  -8.531
  186    HG3  LYS  23           HG3      LYS  23  12.886   5.816  -7.707
  187    HD2  LYS  23           HD2      LYS  23  12.706   6.014 -10.750
  188    HD3  LYS  23           HD3      LYS  23  13.456   7.213  -9.733
  189    HE2  LYS  23           HE2      LYS  23  14.333   4.274  -9.761
  190    HE3  LYS  23           HE3      LYS  23  15.017   5.515 -10.812
  191    HZ1  LYS  23           HZ1      LYS  23  15.696   6.754  -8.785
  192    HZ2  LYS  23           HZ2      LYS  23  15.207   5.504  -7.839
  193    HZ3  LYS  23           HZ3      LYS  23  16.425   5.300  -8.911
  194    H    THR  24           H        THR  24  10.693   5.156 -11.799
  195    HA   THR  24           HA       THR  24   9.751   7.773 -11.432
  196    HB   THR  24           HB       THR  24  10.477   5.978 -13.708
  197    HG1  THR  24           HG1      THR  24  11.653   8.342 -12.645
  198   HG21  THR  24          HG21      THR  24  10.516   7.981 -15.171
  199   HG22  THR  24          HG22      THR  24   8.922   7.321 -14.783
  200   HG23  THR  24          HG23      THR  24   9.488   8.809 -13.968
  201    H    LEU  25           H        LEU  25   8.201   5.052 -13.093
  202    HA   LEU  25           HA       LEU  25   5.835   6.557 -13.794
  203    HB2  LEU  25           HB2      LEU  25   6.521   3.594 -13.814
  204    HB3  LEU  25           HB3      LEU  25   5.054   4.241 -14.553
  205    HG   LEU  25           HG       LEU  25   7.860   5.116 -15.374
  206   HD11  LEU  25          HD11      LEU  25   6.169   2.839 -16.456
  207   HD12  LEU  25          HD12      LEU  25   7.635   3.491 -17.242
  208   HD13  LEU  25          HD13      LEU  25   7.737   2.729 -15.649
  209   HD21  LEU  25          HD21      LEU  25   6.733   5.784 -17.484
  210   HD22  LEU  25          HD22      LEU  25   5.166   5.300 -16.799
  211   HD23  LEU  25          HD23      LEU  25   6.072   6.652 -16.094
  212    H    GLY  26           H        GLY  26   6.692   4.245 -11.231
  213    HA2  GLY  26           HA2      GLY  26   3.959   4.128 -10.169
  214    HA3  GLY  26           HA3      GLY  26   5.382   3.182  -9.705
  215    H    ALA  27           H        ALA  27   6.135   6.530  -9.928
  216    HA   ALA  27           HA       ALA  27   7.112   6.748  -7.380
  217    HB1  ALA  27           HB1      ALA  27   7.647   8.330  -9.203
  218    HB2  ALA  27           HB2      ALA  27   5.993   8.980  -9.138
  219    HB3  ALA  27           HB3      ALA  27   7.098   9.199  -7.763
  220    H    GLY  28           H        GLY  28   6.245   6.804  -5.408
  221    HA2  GLY  28           HA2      GLY  28   4.891   7.393  -3.649
  222    HA3  GLY  28           HA3      GLY  28   3.855   8.307  -4.745
  223    H    LYS  29           H        LYS  29   3.726   5.558  -6.401
  224    HA   LYS  29           HA       LYS  29   1.336   4.578  -4.936
  225    HB2  LYS  29           HB2      LYS  29   2.336   3.521  -7.611
  226    HB3  LYS  29           HB3      LYS  29   0.706   3.449  -6.947
  227    HG2  LYS  29           HG2      LYS  29   0.604   5.992  -7.245
  228    HG3  LYS  29           HG3      LYS  29   2.159   5.867  -8.096
  229    HD2  LYS  29           HD2      LYS  29   1.031   4.134  -9.646
  230    HD3  LYS  29           HD3      LYS  29  -0.497   4.617  -8.883
  231    HE2  LYS  29           HE2      LYS  29   0.111   7.038  -9.538
  232    HE3  LYS  29           HE3      LYS  29   1.426   6.342 -10.507
  233    HZ1  LYS  29           HZ1      LYS  29  -0.263   5.125 -11.784
  234    HZ2  LYS  29           HZ2      LYS  29  -1.472   5.774 -10.883
  235    HZ3  LYS  29           HZ3      LYS  29  -0.556   6.725 -11.839
  236    H    ILE  30           H        ILE  30   4.535   3.430  -6.054
  237    HA   ILE  30           HA       ILE  30   4.193   0.993  -4.401
  238    HB   ILE  30           HB       ILE  30   4.946  -0.396  -6.293
  239   HG12  ILE  30          HG12      ILE  30   4.598   2.146  -7.924
  240   HG13  ILE  30          HG13      ILE  30   6.072   1.198  -7.726
  241   HG21  ILE  30          HG21      ILE  30   2.396   1.081  -7.048
  242   HG22  ILE  30          HG22      ILE  30   2.795  -0.632  -7.292
  243   HG23  ILE  30          HG23      ILE  30   2.511  -0.002  -5.654
  244   HD11  ILE  30          HD11      ILE  30   4.832  -0.694  -8.970
  245   HD12  ILE  30          HD12      ILE  30   3.596   0.502  -9.390
  246   HD13  ILE  30          HD13      ILE  30   5.279   0.745  -9.889
  247    H    ALA  31           H        ALA  31   6.078  -0.113  -3.912
  248    HA   ALA  31           HA       ALA  31   8.580   1.520  -3.877
  249    HB1  ALA  31           HB1      ALA  31   7.780   0.836  -1.618
  250    HB2  ALA  31           HB2      ALA  31   7.762  -0.867  -2.138
  251    HB3  ALA  31           HB3      ALA  31   9.294  -0.011  -2.048
  252    H    VAL  32           H        VAL  32  10.579   0.228  -4.345
  253    HA   VAL  32           HA       VAL  32  10.157  -2.153  -6.092
  254    HB   VAL  32           HB       VAL  32  11.753   0.323  -6.897
  255   HG11  VAL  32          HG11      VAL  32  11.726  -0.773  -9.107
  256   HG12  VAL  32          HG12      VAL  32  12.528  -1.790  -7.906
  257   HG13  VAL  32          HG13      VAL  32  10.866  -2.172  -8.418
  258   HG21  VAL  32          HG21      VAL  32  10.029   0.778  -8.609
  259   HG22  VAL  32          HG22      VAL  32   8.971  -0.458  -7.877
  260   HG23  VAL  32          HG23      VAL  32   9.412   1.021  -6.987
  261    H    THR  33           H        THR  33  11.687  -3.645  -5.675
  262    HA   THR  33           HA       THR  33  14.310  -2.841  -4.598
  263    HB   THR  33           HB       THR  33  12.590  -5.136  -3.641
  264    HG1  THR  33           HG1      THR  33  12.930  -2.561  -2.467
  265   HG21  THR  33          HG21      THR  33  15.125  -3.933  -2.437
  266   HG22  THR  33          HG22      THR  33  14.158  -5.246  -1.720
  267   HG23  THR  33          HG23      THR  33  14.991  -5.508  -3.256
  268    H    SER  34           H        SER  34  15.546  -3.458  -6.407
  269    HA   SER  34           HA       SER  34  14.978  -6.127  -7.560
  270    HB2  SER  34           HB2      SER  34  16.893  -3.905  -8.330
  271    HB3  SER  34           HB3      SER  34  16.909  -5.515  -9.100
  272    HG   SER  34           HG       SER  34  14.950  -5.176  -9.918
  273    H    SER  35           H        SER  35  15.502  -7.625  -6.068
  274    HA   SER  35           HA       SER  35  17.678  -7.441  -4.238
  275    HB2  SER  35           HB2      SER  35  17.041  -9.871  -3.906
  276    HB3  SER  35           HB3      SER  35  15.764  -8.668  -3.634
  277    HG   SER  35           HG       SER  35  14.723  -9.961  -5.031
  278    H    GLY  36           H        GLY  36  17.204  -9.840  -6.826
  279    HA2  GLY  36           HA2      GLY  36  18.832 -10.336  -8.581
  280    HA3  GLY  36           HA3      GLY  36  20.112  -9.738  -7.522
  281    H    LEU  37           H        LEU  37  19.270 -12.522  -8.693
  282    HA   LEU  37           HA       LEU  37  19.046 -14.183  -6.348
  283    HB2  LEU  37           HB2      LEU  37  19.684 -14.601  -9.260
  284    HB3  LEU  37           HB3      LEU  37  19.808 -15.941  -8.122
  285    HG   LEU  37           HG       LEU  37  17.282 -14.272  -8.135
  286   HD11  LEU  37          HD11      LEU  37  17.899 -16.468 -10.167
  287   HD12  LEU  37          HD12      LEU  37  16.309 -15.718  -9.911
  288   HD13  LEU  37          HD13      LEU  37  17.637 -14.739 -10.511
  289   HD21  LEU  37          HD21      LEU  37  16.251 -16.329  -7.343
  290   HD22  LEU  37          HD22      LEU  37  17.673 -17.285  -7.816
  291   HD23  LEU  37          HD23      LEU  37  17.776 -16.170  -6.457
  292    H    GLU  38           H        GLU  38  21.517 -12.663  -8.248
  293    HA   GLU  38           HA       GLU  38  23.526 -12.995  -6.166
  294    HB2  GLU  38           HB2      GLU  38  23.799 -13.607  -9.126
  295    HB3  GLU  38           HB3      GLU  38  25.152 -12.864  -8.238
  296    HG2  GLU  38           HG2      GLU  38  25.208 -14.677  -6.657
  297    HG3  GLU  38           HG3      GLU  38  23.762 -15.413  -7.367
  298    H    SER  39           H        SER  39  24.947 -10.998  -6.239
  299    HA   SER  39           HA       SER  39  23.820  -8.912  -7.942
  300    HB2  SER  39           HB2      SER  39  23.367  -7.445  -6.016
  301    HB3  SER  39           HB3      SER  39  22.387  -8.946  -6.050
  302    HG   SER  39           HG       SER  39  23.258  -8.431  -3.935
  303    H    SER  40           H        SER  40  24.669  -6.915  -7.848
  304    HA   SER  40           HA       SER  40  27.467  -6.366  -7.525
  305    HB2  SER  40           HB2      SER  40  26.184  -7.220 -10.173
  306    HB3  SER  40           HB3      SER  40  27.706  -6.298 -10.100
  307    HG   SER  40           HG       SER  40  28.090  -8.543 -10.309
  308    H    ARG  41           H        ARG  41  27.651  -4.213  -9.074
  309    HA   ARG  41           HA       ARG  41  25.178  -2.600  -8.679
  310    HB2  ARG  41           HB2      ARG  41  27.862  -1.989  -8.467
  311    HB3  ARG  41           HB3      ARG  41  27.577  -1.515 -10.148
  312    HG2  ARG  41           HG2      ARG  41  25.942   0.132  -9.475
  313    HG3  ARG  41           HG3      ARG  41  25.925  -0.473  -7.802
  314    HD2  ARG  41           HD2      ARG  41  28.221   0.179  -7.455
  315    HD3  ARG  41           HD3      ARG  41  28.430   0.605  -9.166
  316    HE   ARG  41           HE       ARG  41  26.317   2.190  -8.233
  317   HH11  ARG  41          HH11      ARG  41  29.706   1.746  -7.212
  318   HH12  ARG  41          HH12      ARG  41  29.954   3.409  -6.830
  319   HH21  ARG  41          HH21      ARG  41  26.774   4.445  -8.020
  320   HH22  ARG  41          HH22      ARG  41  28.195   4.960  -7.179
  321    H    VAL  42           H        VAL  42  24.871  -1.087 -10.747
  322    HA   VAL  42           HA       VAL  42  24.038  -2.837 -12.948
  323    HB   VAL  42           HB       VAL  42  22.738  -1.013 -13.592
  324   HG11  VAL  42          HG11      VAL  42  21.949  -2.113 -11.550
  325   HG12  VAL  42          HG12      VAL  42  22.737  -0.845 -10.579
  326   HG13  VAL  42          HG13      VAL  42  21.429  -0.419 -11.689
  327   HG21  VAL  42          HG21      VAL  42  24.469   0.740 -11.760
  328   HG22  VAL  42          HG22      VAL  42  24.310   0.866 -13.529
  329   HG23  VAL  42          HG23      VAL  42  22.942   1.283 -12.494
  330    H    HIS  43           H        HIS  43  24.374  -1.606 -15.223
  331    HA   HIS  43           HA       HIS  43  27.285  -1.791 -15.630
  332    HB2  HIS  43           HB2      HIS  43  25.689  -2.922 -17.117
  333    HB3  HIS  43           HB3      HIS  43  24.996  -1.369 -17.586
  334    HD1  HIS  43           HD1      HIS  43  28.273  -3.390 -18.087
  335    HD2  HIS  43           HD2      HIS  43  26.128  -0.085 -19.550
  336    HE1  HIS  43           HE1      HIS  43  29.521  -2.574 -20.136
  337    HA   PRO  44           HA       PRO  44  28.028   2.528 -15.141
  338    HB2  PRO  44           HB2      PRO  44  30.132   3.027 -16.916
  339    HB3  PRO  44           HB3      PRO  44  30.282   2.279 -15.293
  340    HG2  PRO  44           HG2      PRO  44  30.050   0.881 -17.981
  341    HG3  PRO  44           HG3      PRO  44  31.210   0.552 -16.648
  342    HD2  PRO  44           HD2      PRO  44  29.038  -0.965 -16.908
  343    HD3  PRO  44           HD3      PRO  44  29.485  -0.386 -15.282
  344    H    THR  45           H        THR  45  28.200   1.790 -18.726
  345    HA   THR  45           HA       THR  45  27.349   4.376 -19.473
  346    HB   THR  45           HB       THR  45  27.053   1.808 -20.971
  347    HG1  THR  45           HG1      THR  45  29.165   2.103 -21.603
  348   HG21  THR  45          HG21      THR  45  25.916   3.596 -22.179
  349   HG22  THR  45          HG22      THR  45  27.310   4.674 -21.971
  350   HG23  THR  45          HG23      THR  45  27.434   3.233 -23.006
  351    H    ALA  46           H        ALA  46  25.450   1.737 -18.158
  352    HA   ALA  46           HA       ALA  46  22.903   2.456 -19.259
  353    HB1  ALA  46           HB1      ALA  46  23.383   1.420 -16.406
  354    HB2  ALA  46           HB2      ALA  46  21.965   1.189 -17.418
  355    HB3  ALA  46           HB3      ALA  46  23.455   0.343 -17.845
  356    H    ILE  47           H        ILE  47  24.763   3.571 -16.424
  357    HA   ILE  47           HA       ILE  47  22.640   5.086 -15.292
  358    HB   ILE  47           HB       ILE  47  25.687   5.470 -15.179
  359   HG12  ILE  47          HG12      ILE  47  23.974   4.078 -13.098
  360   HG13  ILE  47          HG13      ILE  47  24.724   3.191 -14.412
  361   HG21  ILE  47          HG21      ILE  47  25.319   6.699 -13.054
  362   HG22  ILE  47          HG22      ILE  47  24.538   7.511 -14.398
  363   HG23  ILE  47          HG23      ILE  47  23.559   6.553 -13.272
  364   HD11  ILE  47          HD11      ILE  47  26.118   3.023 -12.446
  365   HD12  ILE  47          HD12      ILE  47  26.960   3.928 -13.718
  366   HD13  ILE  47          HD13      ILE  47  26.259   4.787 -12.341
  367    H    ALA  48           H        ALA  48  25.198   5.992 -17.639
  368    HA   ALA  48           HA       ALA  48  24.463   8.721 -17.816
  369    HB1  ALA  48           HB1      ALA  48  26.644   7.895 -18.591
  370    HB2  ALA  48           HB2      ALA  48  25.869   6.900 -19.843
  371    HB3  ALA  48           HB3      ALA  48  25.797   8.675 -19.942
  372    H    MET  49           H        MET  49  23.479   5.869 -19.728
  373    HA   MET  49           HA       MET  49  21.823   7.245 -21.623
  374    HB2  MET  49           HB2      MET  49  22.009   4.373 -20.642
  375    HB3  MET  49           HB3      MET  49  20.965   4.871 -21.971
  376    HG2  MET  49           HG2      MET  49  23.982   5.349 -21.894
  377    HG3  MET  49           HG3      MET  49  23.222   4.019 -22.700
  378    HE1  MET  49           HE1      MET  49  24.304   7.905 -24.448
  379    HE2  MET  49           HE2      MET  49  24.019   7.778 -22.695
  380    HE3  MET  49           HE3      MET  49  25.159   6.669 -23.482
  381    H    MET  50           H        MET  50  21.215   5.816 -18.456
  382    HA   MET  50           HA       MET  50  18.349   6.059 -18.682
  383    HB2  MET  50           HB2      MET  50  20.134   5.361 -16.340
  384    HB3  MET  50           HB3      MET  50  18.384   5.275 -16.330
  385    HG2  MET  50           HG2      MET  50  20.231   3.275 -17.127
  386    HG3  MET  50           HG3      MET  50  18.513   3.159 -17.110
  387    HE1  MET  50           HE1      MET  50  20.084   1.217 -18.712
  388    HE2  MET  50           HE2      MET  50  18.483   1.207 -19.474
  389    HE3  MET  50           HE3      MET  50  19.915   1.393 -20.482
  390    H    GLU  51           H        GLU  51  21.051   7.967 -17.378
  391    HA   GLU  51           HA       GLU  51  19.406  10.030 -16.343
  392    HB2  GLU  51           HB2      GLU  51  21.716   9.669 -15.646
  393    HB3  GLU  51           HB3      GLU  51  22.300  10.083 -17.262
  394    HG2  GLU  51           HG2      GLU  51  21.499  12.385 -16.993
  395    HG3  GLU  51           HG3      GLU  51  20.731  11.966 -15.458
  396    H    GLU  52           H        GLU  52  20.255   9.126 -19.659
  397    HA   GLU  52           HA       GLU  52  19.602  11.701 -20.763
  398    HB2  GLU  52           HB2      GLU  52  19.054   9.058 -22.146
  399    HB3  GLU  52           HB3      GLU  52  19.004  10.641 -22.865
  400    HG2  GLU  52           HG2      GLU  52  21.445  10.902 -22.400
  401    HG3  GLU  52           HG3      GLU  52  21.465   9.218 -21.882
  402    H    VAL  53           H        VAL  53  17.736   8.874 -19.699
  403    HA   VAL  53           HA       VAL  53  15.232  10.388 -20.266
  404    HB   VAL  53           HB       VAL  53  15.365   8.011 -20.856
  405   HG11  VAL  53          HG11      VAL  53  15.139   7.536 -17.865
  406   HG12  VAL  53          HG12      VAL  53  14.769   6.320 -19.106
  407   HG13  VAL  53          HG13      VAL  53  16.403   6.959 -18.969
  408   HG21  VAL  53          HG21      VAL  53  13.031   8.623 -19.025
  409   HG22  VAL  53          HG22      VAL  53  13.237   9.302 -20.655
  410   HG23  VAL  53          HG23      VAL  53  13.079   7.560 -20.441
  411    H    GLY  54           H        GLY  54  17.443  10.891 -18.067
  412    HA2  GLY  54           HA2      GLY  54  17.397  12.206 -16.220
  413    HA3  GLY  54           HA3      GLY  54  15.631  12.295 -16.340
  414    H    ILE  55           H        ILE  55  17.023   9.080 -16.155
  415    HA   ILE  55           HA       ILE  55  16.003   8.809 -13.364
  416    HB   ILE  55           HB       ILE  55  16.185   6.842 -15.589
  417   HG12  ILE  55          HG12      ILE  55  13.833   8.199 -14.213
  418   HG13  ILE  55          HG13      ILE  55  14.321   8.376 -15.891
  419   HG21  ILE  55          HG21      ILE  55  15.053   6.373 -12.797
  420   HG22  ILE  55          HG22      ILE  55  15.155   5.188 -14.119
  421   HG23  ILE  55          HG23      ILE  55  16.627   5.748 -13.359
  422   HD11  ILE  55          HD11      ILE  55  13.793   5.901 -16.225
  423   HD12  ILE  55          HD12      ILE  55  13.052   5.950 -14.595
  424   HD13  ILE  55          HD13      ILE  55  12.420   6.971 -15.897
  425    H    ASP  56           H        ASP  56  17.387   8.032 -11.778
  426    HA   ASP  56           HA       ASP  56  20.116   7.215 -12.655
  427    HB2  ASP  56           HB2      ASP  56  20.205   9.054 -11.087
  428    HB3  ASP  56           HB3      ASP  56  19.203   8.152  -9.931
  429    H    ILE  57           H        ILE  57  20.966   5.377 -11.917
  430    HA   ILE  57           HA       ILE  57  19.379   3.321 -10.508
  431    HB   ILE  57           HB       ILE  57  20.074   1.623 -12.254
  432   HG12  ILE  57          HG12      ILE  57  20.307   3.980 -14.165
  433   HG13  ILE  57          HG13      ILE  57  21.731   3.306 -13.370
  434   HG21  ILE  57          HG21      ILE  57  18.069   3.733 -13.181
  435   HG22  ILE  57          HG22      ILE  57  18.160   2.040 -13.715
  436   HG23  ILE  57          HG23      ILE  57  17.741   2.401 -12.035
  437   HD11  ILE  57          HD11      ILE  57  21.312   1.113 -14.341
  438   HD12  ILE  57          HD12      ILE  57  19.862   1.732 -15.182
  439   HD13  ILE  57          HD13      ILE  57  21.470   2.382 -15.558
  440    H    SER  58           H        SER  58  22.464   4.760 -11.393
  441    HA   SER  58           HA       SER  58  24.432   3.127 -10.615
  442    HB2  SER  58           HB2      SER  58  24.516   5.612 -11.097
  443    HB3  SER  58           HB3      SER  58  24.007   5.912  -9.431
  444    HG   SER  58           HG       SER  58  26.332   5.960  -9.825
  445    H    GLY  59           H        GLY  59  22.161   4.616  -8.277
  446    HA2  GLY  59           HA2      GLY  59  23.548   3.669  -5.951
  447    HA3  GLY  59           HA3      GLY  59  21.947   4.407  -6.009
  448    H    GLN  60           H        GLN  60  22.031   1.596  -8.065
  449    HA   GLN  60           HA       GLN  60  20.126   0.265  -6.408
  450    HB2  GLN  60           HB2      GLN  60  21.260  -0.107  -9.091
  451    HB3  GLN  60           HB3      GLN  60  21.240  -1.610  -8.202
  452    HG2  GLN  60           HG2      GLN  60  18.750  -1.035  -7.654
  453    HG3  GLN  60           HG3      GLN  60  18.898   0.090  -9.029
  454   HE21  GLN  60          HE22      GLN  60  19.102  -0.876 -11.190
  455   HE22  GLN  60          HE21      GLN  60  19.152  -2.608 -11.413
  456    H    THR  61           H        THR  61  20.538  -1.109  -4.779
  457    HA   THR  61           HA       THR  61  22.253  -3.240  -5.135
  458    HB   THR  61           HB       THR  61  24.042  -1.978  -4.395
  459    HG1  THR  61           HG1      THR  61  24.731  -3.076  -2.630
  460   HG21  THR  61          HG21      THR  61  23.019  -0.019  -3.397
  461   HG22  THR  61          HG22      THR  61  22.420  -0.991  -2.030
  462   HG23  THR  61          HG23      THR  61  24.170  -0.712  -2.254
  463    H    SER  62           H        SER  62  21.995  -4.653  -3.087
  464    HA   SER  62           HA       SER  62  19.915  -4.433  -1.258
  465    HB2  SER  62           HB2      SER  62  19.151  -5.744  -3.914
  466    HB3  SER  62           HB3      SER  62  18.355  -6.181  -2.394
  467    HG   SER  62           HG       SER  62  18.524  -3.483  -3.197
  468    H    ASP  63           H        ASP  63  19.603  -6.522  -0.215
  469    HA   ASP  63           HA       ASP  63  21.871  -8.324  -0.212
  470    HB2  ASP  63           HB2      ASP  63  19.192  -8.043   1.094
  471    HB3  ASP  63           HB3      ASP  63  19.879  -9.664   1.042
  472    HA   PRO  64           HA       PRO  64  20.468 -11.175  -3.399
  473    HB2  PRO  64           HB2      PRO  64  20.736 -13.675  -2.277
  474    HB3  PRO  64           HB3      PRO  64  22.129 -12.697  -2.827
  475    HG2  PRO  64           HG2      PRO  64  21.003 -12.912  -0.003
  476    HG3  PRO  64           HG3      PRO  64  22.711 -13.072  -0.523
  477    HD2  PRO  64           HD2      PRO  64  21.762 -10.749   0.452
  478    HD3  PRO  64           HD3      PRO  64  22.890 -10.730  -0.933
  479    H    ILE  65           H        ILE  65  18.528 -12.232  -3.978
  480    HA   ILE  65           HA       ILE  65  16.247 -11.492  -2.614
  481    HB   ILE  65           HB       ILE  65  16.541 -12.170  -5.006
  482   HG12  ILE  65          HG12      ILE  65  14.159 -13.498  -3.708
  483   HG13  ILE  65          HG13      ILE  65  14.309 -11.753  -3.889
  484   HG21  ILE  65          HG21      ILE  65  17.641 -14.392  -4.590
  485   HG22  ILE  65          HG22      ILE  65  16.064 -15.026  -4.082
  486   HG23  ILE  65          HG23      ILE  65  16.295 -14.429  -5.734
  487   HD11  ILE  65          HD11      ILE  65  14.107 -13.814  -6.126
  488   HD12  ILE  65          HD12      ILE  65  12.964 -12.525  -5.717
  489   HD13  ILE  65          HD13      ILE  65  14.544 -12.106  -6.393
  490    H    GLU  66           H        GLU  66  18.180 -14.329  -1.986
  491    HA   GLU  66           HA       GLU  66  16.182 -15.958  -0.852
  492    HB2  GLU  66           HB2      GLU  66  19.080 -15.955   0.080
  493    HB3  GLU  66           HB3      GLU  66  17.977 -17.331  -0.053
  494    HG2  GLU  66           HG2      GLU  66  18.057 -16.993  -2.579
  495    HG3  GLU  66           HG3      GLU  66  19.302 -15.760  -2.290
  496    H    ASN  67           H        ASN  67  18.040 -13.288   0.299
  497    HA   ASN  67           HA       ASN  67  17.834 -13.570   3.132
  498    HB2  ASN  67           HB2      ASN  67  19.349 -12.025   1.697
  499    HB3  ASN  67           HB3      ASN  67  17.952 -10.949   1.589
  500   HD21  ASN  67          HD22      ASN  67  20.519 -12.192   3.631
  501   HD22  ASN  67          HD21      ASN  67  20.202 -11.170   5.015
  502    H    PHE  68           H        PHE  68  15.585 -12.456   0.683
  503    HA   PHE  68           HA       PHE  68  13.922 -10.880   2.535
  504    HB2  PHE  68           HB2      PHE  68  13.880 -11.386  -0.468
  505    HB3  PHE  68           HB3      PHE  68  12.632 -10.496   0.370
  506    HD1  PHE  68           HD2      PHE  68  16.198 -10.388  -0.606
  507    HD2  PHE  68           HD1      PHE  68  12.882  -8.339   1.197
  508    HE1  PHE  68           HE2      PHE  68  17.429  -8.230  -0.813
  509    HE2  PHE  68           HE1      PHE  68  14.109  -6.160   0.994
  510    HZ   PHE  68           HZ       PHE  68  16.387  -6.119  -0.011
  511    H    ASN  69           H        ASN  69  11.446 -11.175   2.003
  512    HA   ASN  69           HA       ASN  69  10.739 -13.960   1.688
  513    HB2  ASN  69           HB2      ASN  69  10.481 -13.196   4.144
  514    HB3  ASN  69           HB3      ASN  69   9.245 -12.073   3.505
  515   HD21  ASN  69          HD22      ASN  69   8.730 -14.093   5.519
  516   HD22  ASN  69          HD21      ASN  69   7.573 -15.194   4.813
  517    H    ALA  70           H        ALA  70   9.013 -14.175   0.205
  518    HA   ALA  70           HA       ALA  70   8.605 -11.761  -1.307
  519    HB1  ALA  70           HB1      ALA  70   7.467 -14.557  -1.744
  520    HB2  ALA  70           HB2      ALA  70   7.429 -13.219  -2.917
  521    HB3  ALA  70           HB3      ALA  70   8.971 -13.958  -2.468
  522    H    ASP  71           H        ASP  71   7.078 -13.561   1.197
  523    HA   ASP  71           HA       ASP  71   4.433 -12.913   0.627
  524    HB2  ASP  71           HB2      ASP  71   5.073 -14.677   2.232
  525    HB3  ASP  71           HB3      ASP  71   5.761 -13.450   3.310
  526    H    ASP  72           H        ASP  72   7.041 -10.981   1.964
  527    HA   ASP  72           HA       ASP  72   5.381  -9.000   3.252
  528    HB2  ASP  72           HB2      ASP  72   7.730  -9.454   3.936
  529    HB3  ASP  72           HB3      ASP  72   8.268  -8.882   2.346
  530    H    TYR  73           H        TYR  73   6.590  -9.673   0.080
  531    HA   TYR  73           HA       TYR  73   6.217  -6.990  -0.973
  532    HB2  TYR  73           HB2      TYR  73   7.443  -9.540  -2.026
  533    HB3  TYR  73           HB3      TYR  73   6.955  -8.272  -3.145
  534    HD1  TYR  73           HD1      TYR  73   8.921  -8.718   0.048
  535    HD2  TYR  73           HD2      TYR  73   8.439  -6.500  -3.625
  536    HE1  TYR  73           HE1      TYR  73  10.746  -7.205   0.728
  537    HE2  TYR  73           HE2      TYR  73  10.296  -5.007  -2.973
  538    HH   TYR  73           HH       TYR  73  11.853  -4.468  -1.305
  539    H    ASP  74           H        ASP  74   4.995  -6.766  -3.073
  540    HA   ASP  74           HA       ASP  74   2.397  -8.257  -2.874
  541    HB2  ASP  74           HB2      ASP  74   2.228  -5.856  -2.397
  542    HB3  ASP  74           HB3      ASP  74   2.976  -5.490  -3.951
  543    H    VAL  75           H        VAL  75   4.938  -7.006  -5.103
  544    HA   VAL  75           HA       VAL  75   3.946  -8.874  -7.169
  545    HB   VAL  75           HB       VAL  75   2.847  -6.985  -7.783
  546   HG11  VAL  75          HG11      VAL  75   3.415  -5.331  -6.193
  547   HG12  VAL  75          HG12      VAL  75   5.011  -5.120  -6.912
  548   HG13  VAL  75          HG13      VAL  75   3.558  -4.663  -7.804
  549   HG21  VAL  75          HG21      VAL  75   5.493  -6.541  -9.200
  550   HG22  VAL  75          HG22      VAL  75   4.297  -7.753  -9.647
  551   HG23  VAL  75          HG23      VAL  75   3.881  -6.029  -9.751
  552    H    VAL  76           H        VAL  76   5.462  -9.735  -8.525
  553    HA   VAL  76           HA       VAL  76   8.293  -8.957  -8.170
  554    HB   VAL  76           HB       VAL  76   7.069 -11.700  -7.738
  555   HG11  VAL  76          HG11      VAL  76   9.393 -12.471  -7.288
  556   HG12  VAL  76          HG12      VAL  76   9.219 -11.915  -8.938
  557   HG13  VAL  76          HG13      VAL  76  10.028 -10.874  -7.741
  558   HG21  VAL  76          HG21      VAL  76   7.952 -11.630  -5.469
  559   HG22  VAL  76          HG22      VAL  76   8.654 -10.011  -5.736
  560   HG23  VAL  76          HG23      VAL  76   6.898 -10.264  -5.701
  561    H    ILE  77           H        ILE  77   9.415  -9.221 -10.071
  562    HA   ILE  77           HA       ILE  77   7.982 -10.375 -12.417
  563    HB   ILE  77           HB       ILE  77   9.641  -7.840 -12.164
  564   HG12  ILE  77          HG12      ILE  77   7.466  -7.474 -11.129
  565   HG13  ILE  77          HG13      ILE  77   7.634  -6.540 -12.587
  566   HG21  ILE  77          HG21      ILE  77  10.038  -8.684 -14.347
  567   HG22  ILE  77          HG22      ILE  77   8.321  -9.095 -14.586
  568   HG23  ILE  77          HG23      ILE  77   8.845  -7.390 -14.530
  569   HD11  ILE  77          HD11      ILE  77   5.393  -7.718 -12.163
  570   HD12  ILE  77          HD12      ILE  77   6.093  -7.878 -13.787
  571   HD13  ILE  77          HD13      ILE  77   6.177  -9.216 -12.618
  572    H    SER  78           H        SER  78   9.204 -11.980 -13.306
  573    HA   SER  78           HA       SER  78  12.131 -11.935 -12.817
  574    HB2  SER  78           HB2      SER  78  10.330 -14.080 -13.993
  575    HB3  SER  78           HB3      SER  78  12.102 -14.190 -13.863
  576    HG   SER  78           HG       SER  78  11.933 -14.130 -11.613
  577    H    LEU  79           H        LEU  79  13.259 -10.842 -14.233
  578    HA   LEU  79           HA       LEU  79  12.105  -9.809 -16.711
  579    HB2  LEU  79           HB2      LEU  79  14.878  -9.646 -15.447
  580    HB3  LEU  79           HB3      LEU  79  14.431  -8.784 -16.910
  581    HG   LEU  79           HG       LEU  79  12.948  -8.321 -14.280
  582   HD11  LEU  79          HD11      LEU  79  15.365  -6.932 -15.487
  583   HD12  LEU  79          HD12      LEU  79  14.469  -6.308 -14.099
  584   HD13  LEU  79          HD13      LEU  79  15.354  -7.839 -13.961
  585   HD21  LEU  79          HD21      LEU  79  11.778  -7.545 -16.343
  586   HD22  LEU  79          HD22      LEU  79  12.345  -6.189 -15.363
  587   HD23  LEU  79          HD23      LEU  79  13.237  -6.646 -16.825
  588    H    CYS  80           H        CYS  80  13.713 -12.698 -15.891
  589    HA   CYS  80           HA       CYS  80  14.608 -13.220 -18.661
  590    HB2  CYS  80           HB2      CYS  80  16.248 -13.600 -16.104
  591    HB3  CYS  80           HB3      CYS  80  16.765 -14.056 -17.723
  592    H    GLY  81           H        GLY  81  12.732 -14.600 -18.752
  593    HA2  GLY  81           HA2      GLY  81  11.717 -16.676 -18.653
  594    HA3  GLY  81           HA3      GLY  81  13.166 -17.322 -17.870
  595    H    SER  82           H        SER  82  11.780 -18.516 -16.403
  596    HA   SER  82           HA       SER  82  11.034 -17.007 -14.022
  597    HB2  SER  82           HB2      SER  82   8.782 -18.270 -13.976
  598    HB3  SER  82           HB3      SER  82   8.923 -16.846 -15.011
  599    HG   SER  82           HG       SER  82   7.889 -18.670 -16.052
  600    H    GLY  83           H        GLY  83  10.979 -18.354 -12.151
  601    HA2  GLY  83           HA2      GLY  83  11.683 -20.111 -10.840
  602    HA3  GLY  83           HA3      GLY  83  11.199 -21.180 -12.166
  603    H    VAL  84           H        VAL  84  13.696 -18.666 -12.525
  604    HA   VAL  84           HA       VAL  84  15.477 -20.661 -13.631
  605    HB   VAL  84           HB       VAL  84  16.865 -18.658 -14.232
  606   HG11  VAL  84          HG11      VAL  84  15.249 -19.717 -15.761
  607   HG12  VAL  84          HG12      VAL  84  13.982 -18.617 -15.175
  608   HG13  VAL  84          HG13      VAL  84  15.393 -17.974 -16.029
  609   HG21  VAL  84          HG21      VAL  84  15.920 -16.430 -14.138
  610   HG22  VAL  84          HG22      VAL  84  14.454 -16.999 -13.333
  611   HG23  VAL  84          HG23      VAL  84  16.018 -17.035 -12.481
  612    H    ASN  85           H        ASN  85  15.487 -21.716 -11.480
  613    HA   ASN  85           HA       ASN  85  16.585 -22.515  -9.686
  614    HB2  ASN  85           HB2      ASN  85  18.602 -22.417 -11.200
  615    HB3  ASN  85           HB3      ASN  85  19.036 -20.888 -10.444
  616   HD21  ASN  85          HD22      ASN  85  19.223 -20.974  -7.942
  617   HD22  ASN  85          HD21      ASN  85  19.940 -22.434  -7.269
  618    H    LEU  86           H        LEU  86  14.760 -21.002  -9.077
  619    HA   LEU  86           HA       LEU  86  15.604 -18.933  -7.154
  620    HB2  LEU  86           HB2      LEU  86  15.388 -17.623  -9.028
  621    HB3  LEU  86           HB3      LEU  86  14.157 -18.599  -9.768
  622    HG   LEU  86           HG       LEU  86  13.398 -17.119  -7.258
  623   HD11  LEU  86          HD11      LEU  86  14.508 -15.346  -8.503
  624   HD12  LEU  86          HD12      LEU  86  13.701 -15.838 -10.015
  625   HD13  LEU  86          HD13      LEU  86  12.768 -15.140  -8.666
  626   HD21  LEU  86          HD21      LEU  86  11.244 -16.957  -8.596
  627   HD22  LEU  86          HD22      LEU  86  12.046 -17.749  -9.959
  628   HD23  LEU  86          HD23      LEU  86  11.764 -18.637  -8.454
  629    HA   PRO  87           HA       PRO  87  12.497 -21.172  -5.018
  630    HB2  PRO  87           HB2      PRO  87  11.978 -18.749  -3.312
  631    HB3  PRO  87           HB3      PRO  87  12.348 -20.420  -2.813
  632    HG2  PRO  87           HG2      PRO  87  14.269 -18.499  -2.745
  633    HG3  PRO  87           HG3      PRO  87  14.653 -20.159  -3.312
  634    HD2  PRO  87           HD2      PRO  87  14.100 -17.687  -4.977
  635    HD3  PRO  87           HD3      PRO  87  15.377 -18.922  -5.146
  636    HA   PRO  88           HA       PRO  88   8.752 -20.119  -7.005
  637    HB2  PRO  88           HB2      PRO  88   6.883 -21.768  -5.844
  638    HB3  PRO  88           HB3      PRO  88   8.234 -22.381  -6.848
  639    HG2  PRO  88           HG2      PRO  88   8.112 -22.172  -3.818
  640    HG3  PRO  88           HG3      PRO  88   8.585 -23.593  -4.813
  641    HD2  PRO  88           HD2      PRO  88  10.446 -21.921  -3.750
  642    HD3  PRO  88           HD3      PRO  88  10.659 -22.609  -5.391
  643    H    GLU  89           H        GLU  89   8.808 -19.475  -3.525
  644    HA   GLU  89           HA       GLU  89   6.333 -18.149  -3.341
  645    HB2  GLU  89           HB2      GLU  89   7.235 -16.999  -1.442
  646    HB3  GLU  89           HB3      GLU  89   7.844 -18.651  -1.446
  647    HG2  GLU  89           HG2      GLU  89  10.002 -17.787  -2.446
  648    HG3  GLU  89           HG3      GLU  89   9.370 -16.150  -2.280
  649    H    TRP  90           H        TRP  90   9.233 -17.218  -5.080
  650    HA   TRP  90           HA       TRP  90   8.437 -14.443  -5.416
  651    HB2  TRP  90           HB2      TRP  90  10.611 -16.153  -6.642
  652    HB3  TRP  90           HB3      TRP  90  10.467 -14.416  -6.881
  653    HD1  TRP  90           HD1      TRP  90  11.978 -16.906  -4.612
  654    HE1  TRP  90           HE1      TRP  90  12.782 -15.889  -2.397
  655    HE3  TRP  90           HE3      TRP  90  10.019 -12.251  -5.147
  656    HZ2  TRP  90           HZ2      TRP  90  12.405 -13.391  -0.944
  657    HZ3  TRP  90           HZ3      TRP  90  10.137 -10.598  -3.320
  658    HH2  TRP  90           HH2      TRP  90  11.310 -11.151  -1.212
  659    H    VAL  91           H        VAL  91   8.005 -17.459  -7.261
  660    HA   VAL  91           HA       VAL  91   7.105 -15.991  -9.571
  661    HB   VAL  91           HB       VAL  91   6.928 -17.927 -10.728
  662   HG11  VAL  91          HG11      VAL  91   9.259 -18.487  -8.877
  663   HG12  VAL  91          HG12      VAL  91   9.073 -19.006 -10.564
  664   HG13  VAL  91          HG13      VAL  91   9.256 -17.279 -10.187
  665   HG21  VAL  91          HG21      VAL  91   5.623 -19.386  -9.287
  666   HG22  VAL  91          HG22      VAL  91   7.047 -20.227  -9.909
  667   HG23  VAL  91          HG23      VAL  91   7.022 -19.645  -8.242
  668    H    THR  92           H        THR  92   5.658 -16.760  -6.628
  669    HA   THR  92           HA       THR  92   2.991 -16.379  -7.872
  670    HB   THR  92           HB       THR  92   3.584 -18.773  -7.488
  671    HG1  THR  92           HG1      THR  92   1.450 -18.332  -7.612
  672   HG21  THR  92          HG21      THR  92   4.682 -18.221  -5.123
  673   HG22  THR  92          HG22      THR  92   3.049 -18.567  -4.547
  674   HG23  THR  92          HG23      THR  92   3.938 -19.789  -5.480
  675    H    GLN  93           H        GLN  93   3.265 -14.214  -7.351
  676    HA   GLN  93           HA       GLN  93   2.309 -13.613  -4.631
  677    HB2  GLN  93           HB2      GLN  93   4.118 -11.871  -6.367
  678    HB3  GLN  93           HB3      GLN  93   3.252 -11.290  -4.952
  679    HG2  GLN  93           HG2      GLN  93   5.358 -13.476  -4.948
  680    HG3  GLN  93           HG3      GLN  93   5.528 -11.848  -4.305
  681   HE21  GLN  93          HE22      GLN  93   5.483 -14.756  -3.110
  682   HE22  GLN  93          HE21      GLN  93   4.448 -14.581  -1.696
  683    H    GLU  94           H        GLU  94   1.203 -11.081  -5.150
  684    HA   GLU  94           HA       GLU  94  -1.304 -11.982  -6.070
  685    HB2  GLU  94           HB2      GLU  94  -0.256  -9.135  -5.768
  686    HB3  GLU  94           HB3      GLU  94  -1.940  -9.553  -6.036
  687    HG2  GLU  94           HG2      GLU  94  -0.287 -10.395  -3.611
  688    HG3  GLU  94           HG3      GLU  94  -1.490  -9.114  -3.656
  689    H    ILE  95           H        ILE  95   1.359 -10.579  -7.823
  690    HA   ILE  95           HA       ILE  95   0.163 -11.419 -10.332
  691    HB   ILE  95           HB       ILE  95  -0.413  -9.121 -10.518
  692   HG12  ILE  95          HG12      ILE  95   2.308  -9.228 -11.900
  693   HG13  ILE  95          HG13      ILE  95   0.924 -10.180 -12.450
  694   HG21  ILE  95          HG21      ILE  95   0.680  -8.027  -8.741
  695   HG22  ILE  95          HG22      ILE  95   2.276  -8.594  -9.257
  696   HG23  ILE  95          HG23      ILE  95   1.459  -7.322 -10.166
  697   HD11  ILE  95          HD11      ILE  95  -0.388  -8.161 -12.874
  698   HD12  ILE  95          HD12      ILE  95   0.931  -7.133 -12.288
  699   HD13  ILE  95          HD13      ILE  95   1.157  -8.099 -13.745
  700    H    PHE  96           H        PHE  96   1.782 -12.224 -11.659
  701    HA   PHE  96           HA       PHE  96   4.583 -11.881 -10.873
  702    HB2  PHE  96           HB2      PHE  96   4.045 -14.026  -9.908
  703    HB3  PHE  96           HB3      PHE  96   3.297 -14.564 -11.413
  704    HD1  PHE  96           HD2      PHE  96   6.559 -13.119 -10.158
  705    HD2  PHE  96           HD1      PHE  96   4.626 -15.838 -12.902
  706    HE1  PHE  96           HE2      PHE  96   8.773 -13.855 -10.998
  707    HE2  PHE  96           HE1      PHE  96   6.836 -16.577 -13.724
  708    HZ   PHE  96           HZ       PHE  96   8.919 -15.590 -12.769
  709    H    GLU  97           H        GLU  97   5.895 -11.864 -12.842
  710    HA   GLU  97           HA       GLU  97   4.541 -12.434 -15.376
  711    HB2  GLU  97           HB2      GLU  97   6.079  -9.856 -14.911
  712    HB3  GLU  97           HB3      GLU  97   5.555 -10.441 -16.473
  713    HG2  GLU  97           HG2      GLU  97   3.613  -9.727 -14.234
  714    HG3  GLU  97           HG3      GLU  97   4.176  -8.594 -15.449
  715    H    ASP  98           H        ASP  98   5.966 -13.143 -16.918
  716    HA   ASP  98           HA       ASP  98   8.814 -13.411 -16.180
  717    HB2  ASP  98           HB2      ASP  98   9.010 -15.514 -16.962
  718    HB3  ASP  98           HB3      ASP  98   7.413 -15.632 -16.242
  719    H    TRP  99           H        TRP  99  10.175 -12.633 -17.739
  720    HA   TRP  99           HA       TRP  99   9.125 -11.949 -20.421
  721    HB2  TRP  99           HB2      TRP  99  10.799 -10.048 -18.765
  722    HB3  TRP  99           HB3      TRP  99  10.055  -9.747 -20.328
  723    HD1  TRP  99           HD1      TRP  99   9.776  -8.636 -17.018
  724    HE1  TRP  99           HE1      TRP  99   7.539  -7.488 -16.549
  725    HE3  TRP  99           HE3      TRP  99   7.057 -10.547 -20.915
  726    HZ2  TRP  99           HZ2      TRP  99   4.930  -7.341 -17.746
  727    HZ3  TRP  99           HZ3      TRP  99   4.679  -9.906 -21.202
  728    HH2  TRP  99           HH2      TRP  99   3.612  -8.286 -19.645
  729    H    GLN 100           H        GLN 100  11.172 -11.093 -21.726
  730    HA   GLN 100           HA       GLN 100  13.717 -12.222 -20.756
  731    HB2  GLN 100           HB2      GLN 100  12.632 -13.950 -22.232
  732    HB3  GLN 100           HB3      GLN 100  12.617 -12.780 -23.554
  733    HG2  GLN 100           HG2      GLN 100  15.128 -12.638 -23.400
  734    HG3  GLN 100           HG3      GLN 100  15.095 -13.849 -22.116
  735   HE21  GLN 100          HE22      GLN 100  14.185 -16.065 -22.697
  736   HE22  GLN 100          HE21      GLN 100  14.352 -16.610 -24.348
  737    H    LEU 101           H        LEU 101  13.934  -9.955 -20.226
  738    HA   LEU 101           HA       LEU 101  13.804  -7.915 -22.322
  739    HB2  LEU 101           HB2      LEU 101  14.793  -7.888 -19.468
  740    HB3  LEU 101           HB3      LEU 101  15.233  -6.605 -20.573
  741    HG   LEU 101           HG       LEU 101  13.372  -5.944 -19.293
  742   HD11  LEU 101          HD11      LEU 101  11.838  -5.133 -20.956
  743   HD12  LEU 101          HD12      LEU 101  13.464  -5.138 -21.672
  744   HD13  LEU 101          HD13      LEU 101  12.284  -6.401 -22.103
  745   HD21  LEU 101          HD21      LEU 101  11.719  -8.175 -20.501
  746   HD22  LEU 101          HD22      LEU 101  12.434  -8.234 -18.869
  747   HD23  LEU 101          HD23      LEU 101  11.212  -7.003 -19.263
  748    H    GLU 102           H        GLU 102  15.472  -7.027 -23.490
  749    HA   GLU 102           HA       GLU 102  17.931  -8.544 -23.759
  750    HB2  GLU 102           HB2      GLU 102  16.760  -6.128 -25.179
  751    HB3  GLU 102           HB3      GLU 102  18.375  -6.756 -25.540
  752    HG2  GLU 102           HG2      GLU 102  17.478  -8.912 -26.209
  753    HG3  GLU 102           HG3      GLU 102  15.848  -8.454 -25.715
  754    H    ASP 103           H        ASP 103  20.056  -7.076 -23.726
  755    HA   ASP 103           HA       ASP 103  19.827  -4.928 -21.795
  756    HB2  ASP 103           HB2      ASP 103  20.169  -6.935 -20.441
  757    HB3  ASP 103           HB3      ASP 103  21.673  -7.278 -21.305
  758    HA   PRO 104           HA       PRO 104  22.724  -3.433 -24.773
  759    HB2  PRO 104           HB2      PRO 104  23.103  -0.967 -23.946
  760    HB3  PRO 104           HB3      PRO 104  21.480  -1.556 -24.394
  761    HG2  PRO 104           HG2      PRO 104  22.657  -1.414 -21.580
  762    HG3  PRO 104           HG3      PRO 104  21.108  -0.691 -22.147
  763    HD2  PRO 104           HD2      PRO 104  21.198  -3.122 -20.982
  764    HD3  PRO 104           HD3      PRO 104  20.109  -2.802 -22.368
  765    H    ASP 105           H        ASP 105  23.920  -4.447 -21.733
  766    HA   ASP 105           HA       ASP 105  26.395  -3.307 -21.345
  767    HB2  ASP 105           HB2      ASP 105  25.759  -5.005 -19.858
  768    HB3  ASP 105           HB3      ASP 105  25.409  -6.154 -21.159
  769    H    GLY 106           H        GLY 106  28.113  -2.943 -22.584
  770    HA2  GLY 106           HA2      GLY 106  29.894  -3.332 -23.932
  771    HA3  GLY 106           HA3      GLY 106  29.421  -5.036 -23.973
  772    H    GLN 107           H        GLN 107  26.961  -2.872 -25.199
  773    HA   GLN 107           HA       GLN 107  27.992  -3.099 -27.970
  774    HB2  GLN 107           HB2      GLN 107  25.848  -3.815 -28.840
  775    HB3  GLN 107           HB3      GLN 107  26.555  -4.997 -27.743
  776    HG2  GLN 107           HG2      GLN 107  25.040  -4.191 -25.946
  777    HG3  GLN 107           HG3      GLN 107  24.295  -3.075 -27.111
  778   HE21  GLN 107          HE22      GLN 107  23.194  -5.640 -25.566
  779   HE22  GLN 107          HE21      GLN 107  22.596  -6.631 -26.864
  780    H    SER 108           H        SER 108  26.059  -1.860 -29.380
  781    HA   SER 108           HA       SER 108  26.896   0.708 -28.907
  782    HB2  SER 108           HB2      SER 108  24.664  -0.089 -30.805
  783    HB3  SER 108           HB3      SER 108  25.810   1.246 -30.991
  784    HG   SER 108           HG       SER 108  26.422  -0.588 -32.250
  785    H    LEU 109           H        LEU 109  25.791   2.743 -28.855
  786    HA   LEU 109           HA       LEU 109  23.998   3.038 -26.647
  787    HB2  LEU 109           HB2      LEU 109  24.715   5.043 -28.814
  788    HB3  LEU 109           HB3      LEU 109  23.829   5.383 -27.344
  789    HG   LEU 109           HG       LEU 109  25.932   6.162 -26.870
  790   HD11  LEU 109          HD11      LEU 109  25.069   4.647 -25.058
  791   HD12  LEU 109          HD12      LEU 109  26.122   3.363 -25.682
  792   HD13  LEU 109          HD13      LEU 109  26.821   4.867 -25.055
  793   HD21  LEU 109          HD21      LEU 109  27.140   5.123 -28.787
  794   HD22  LEU 109          HD22      LEU 109  28.049   5.117 -27.274
  795   HD23  LEU 109          HD23      LEU 109  27.301   3.622 -27.839
  796    H    GLU 110           H        GLU 110  23.378   2.695 -30.117
  797    HA   GLU 110           HA       GLU 110  20.663   3.447 -30.096
  798    HB2  GLU 110           HB2      GLU 110  22.140   2.904 -32.084
  799    HB3  GLU 110           HB3      GLU 110  21.993   1.200 -31.665
  800    HG2  GLU 110           HG2      GLU 110  20.446   1.616 -33.418
  801    HG3  GLU 110           HG3      GLU 110  19.476   1.421 -31.971
  802    H    VAL 111           H        VAL 111  22.254   0.463 -28.965
  803    HA   VAL 111           HA       VAL 111  19.761  -0.952 -28.626
  804    HB   VAL 111           HB       VAL 111  22.354  -1.723 -27.298
  805   HG11  VAL 111          HG11      VAL 111  21.403  -4.006 -27.583
  806   HG12  VAL 111          HG12      VAL 111  20.344  -2.966 -26.623
  807   HG13  VAL 111          HG13      VAL 111  19.959  -3.307 -28.324
  808   HG21  VAL 111          HG21      VAL 111  22.865  -3.117 -29.313
  809   HG22  VAL 111          HG22      VAL 111  21.532  -2.324 -30.181
  810   HG23  VAL 111          HG23      VAL 111  22.964  -1.406 -29.661
  811    H    PHE 112           H        PHE 112  22.040   0.807 -26.392
  812    HA   PHE 112           HA       PHE 112  20.486   0.582 -24.023
  813    HB2  PHE 112           HB2      PHE 112  22.112   2.935 -25.109
  814    HB3  PHE 112           HB3      PHE 112  21.305   2.962 -23.562
  815    HD1  PHE 112           HD1      PHE 112  22.119   1.737 -21.636
  816    HD2  PHE 112           HD2      PHE 112  24.143   1.444 -25.436
  817    HE1  PHE 112           HE1      PHE 112  24.047   0.624 -20.552
  818    HE2  PHE 112           HE2      PHE 112  26.084   0.429 -24.335
  819    HZ   PHE 112           HZ       PHE 112  26.030  -0.053 -21.920
  820    H    ARG 113           H        ARG 113  20.130   3.010 -26.673
  821    HA   ARG 113           HA       ARG 113  17.891   4.315 -25.430
  822    HB2  ARG 113           HB2      ARG 113  19.040   4.277 -28.251
  823    HB3  ARG 113           HB3      ARG 113  17.669   5.308 -27.801
  824    HG2  ARG 113           HG2      ARG 113  18.931   6.537 -26.214
  825    HG3  ARG 113           HG3      ARG 113  20.259   5.367 -26.184
  826    HD2  ARG 113           HD2      ARG 113  20.903   5.953 -28.443
  827    HD3  ARG 113           HD3      ARG 113  19.550   7.110 -28.563
  828    HE   ARG 113           HE       ARG 113  20.907   7.936 -26.294
  829   HH11  ARG 113          HH11      ARG 113  21.852   7.467 -29.716
  830   HH12  ARG 113          HH12      ARG 113  23.101   8.656 -29.663
  831   HH21  ARG 113          HH21      ARG 113  22.467   9.558 -26.271
  832   HH22  ARG 113          HH22      ARG 113  23.468   9.880 -27.657
  833    H    THR 114           H        THR 114  18.012   1.597 -27.814
  834    HA   THR 114           HA       THR 114  15.218   1.361 -28.194
  835    HB   THR 114           HB       THR 114  17.661  -0.445 -28.293
  836    HG1  THR 114           HG1      THR 114  17.583   0.915 -29.970
  837   HG21  THR 114          HG21      THR 114  15.973  -1.984 -27.723
  838   HG22  THR 114          HG22      THR 114  14.827  -1.291 -28.895
  839   HG23  THR 114          HG23      THR 114  16.305  -2.139 -29.450
  840    H    VAL 115           H        VAL 115  17.463  -0.160 -25.752
  841    HA   VAL 115           HA       VAL 115  15.332  -1.665 -24.664
  842    HB   VAL 115           HB       VAL 115  18.154  -1.169 -23.673
  843   HG11  VAL 115          HG11      VAL 115  17.814  -3.186 -22.230
  844   HG12  VAL 115          HG12      VAL 115  16.775  -1.851 -21.722
  845   HG13  VAL 115          HG13      VAL 115  16.097  -3.202 -22.661
  846   HG21  VAL 115          HG21      VAL 115  16.806  -3.589 -24.999
  847   HG22  VAL 115          HG22      VAL 115  17.876  -2.466 -25.840
  848   HG23  VAL 115          HG23      VAL 115  18.518  -3.471 -24.534
  849    H    ARG 116           H        ARG 116  16.459   1.612 -23.873
  850    HA   ARG 116           HA       ARG 116  14.943   1.865 -21.477
  851    HB2  ARG 116           HB2      ARG 116  15.377   4.004 -23.636
  852    HB3  ARG 116           HB3      ARG 116  14.701   4.284 -22.026
  853    HG2  ARG 116           HG2      ARG 116  16.898   3.168 -21.159
  854    HG3  ARG 116           HG3      ARG 116  17.537   3.541 -22.761
  855    HD2  ARG 116           HD2      ARG 116  16.405   5.496 -20.743
  856    HD3  ARG 116           HD3      ARG 116  18.101   5.282 -21.107
  857    HE   ARG 116           HE       ARG 116  16.116   6.815 -22.595
  858   HH11  ARG 116          HH11      ARG 116  19.385   5.424 -22.917
  859   HH12  ARG 116          HH12      ARG 116  19.926   6.820 -23.846
  860   HH21  ARG 116          HH21      ARG 116  16.822   8.338 -24.170
  861   HH22  ARG 116          HH22      ARG 116  18.527   8.348 -24.566
  862    H    GLY 117           H        GLY 117  13.867   2.262 -24.909
  863    HA2  GLY 117           HA2      GLY 117  11.143   2.829 -24.322
  864    HA3  GLY 117           HA3      GLY 117  11.773   2.154 -25.835
  865    H    GLN 118           H        GLN 118  12.736  -0.328 -25.157
  866    HA   GLN 118           HA       GLN 118  10.376  -1.884 -24.981
  867    HB2  GLN 118           HB2      GLN 118  13.189  -2.832 -24.367
  868    HB3  GLN 118           HB3      GLN 118  11.780  -3.834 -24.752
  869    HG2  GLN 118           HG2      GLN 118  11.689  -2.494 -26.985
  870    HG3  GLN 118           HG3      GLN 118  13.338  -1.990 -26.582
  871   HE21  GLN 118          HE21      GLN 118  14.288  -4.472 -25.378
  872   HE22  GLN 118          HE22      GLN 118  14.507  -5.548 -26.764
  873    H    VAL 119           H        VAL 119  12.799  -1.187 -22.482
  874    HA   VAL 119           HA       VAL 119  11.506  -2.779 -20.496
  875    HB   VAL 119           HB       VAL 119  13.493  -0.486 -20.256
  876   HG11  VAL 119          HG11      VAL 119  12.393  -2.313 -18.078
  877   HG12  VAL 119          HG12      VAL 119  13.850  -1.283 -17.925
  878   HG13  VAL 119          HG13      VAL 119  12.255  -0.546 -18.151
  879   HG21  VAL 119          HG21      VAL 119  13.813  -3.488 -19.754
  880   HG22  VAL 119          HG22      VAL 119  14.255  -2.697 -21.275
  881   HG23  VAL 119          HG23      VAL 119  15.098  -2.260 -19.778
  882    H    LYS 120           H        LYS 120  11.291   0.784 -21.249
  883    HA   LYS 120           HA       LYS 120   9.622   1.532 -19.141
  884    HB2  LYS 120           HB2      LYS 120  10.616   3.077 -20.889
  885    HB3  LYS 120           HB3      LYS 120   9.398   2.477 -22.041
  886    HG2  LYS 120           HG2      LYS 120   7.599   3.319 -20.518
  887    HG3  LYS 120           HG3      LYS 120   8.836   3.925 -19.405
  888    HD2  LYS 120           HD2      LYS 120   9.712   5.429 -21.174
  889    HD3  LYS 120           HD3      LYS 120   8.498   4.796 -22.309
  890    HE2  LYS 120           HE2      LYS 120   6.684   5.592 -20.769
  891    HE3  LYS 120           HE3      LYS 120   7.917   6.284 -19.703
  892    HZ1  LYS 120           HZ1      LYS 120   7.435   7.109 -22.523
  893    HZ2  LYS 120           HZ2      LYS 120   6.981   7.944 -21.200
  894    HZ3  LYS 120           HZ3      LYS 120   8.570   7.763 -21.535
  895    H    GLU 121           H        GLU 121   8.688   0.232 -22.379
  896    HA   GLU 121           HA       GLU 121   5.927   0.480 -21.943
  897    HB2  GLU 121           HB2      GLU 121   7.042   0.267 -24.102
  898    HB3  GLU 121           HB3      GLU 121   7.505  -1.406 -23.745
  899    HG2  GLU 121           HG2      GLU 121   5.133  -2.073 -23.643
  900    HG3  GLU 121           HG3      GLU 121   4.628  -0.401 -23.903
  901    H    ARG 122           H        ARG 122   8.085  -2.357 -21.312
  902    HA   ARG 122           HA       ARG 122   5.915  -4.050 -20.421
  903    HB2  ARG 122           HB2      ARG 122   8.890  -4.253 -19.838
  904    HB3  ARG 122           HB3      ARG 122   7.664  -5.448 -19.413
  905    HG2  ARG 122           HG2      ARG 122   7.049  -5.248 -22.037
  906    HG3  ARG 122           HG3      ARG 122   8.734  -4.717 -22.139
  907    HD2  ARG 122           HD2      ARG 122   9.388  -6.802 -20.892
  908    HD3  ARG 122           HD3      ARG 122   7.697  -7.297 -20.923
  909    HE   ARG 122           HE       ARG 122   9.627  -7.204 -23.171
  910   HH11  ARG 122          HH11      ARG 122   6.234  -7.795 -22.246
  911   HH12  ARG 122          HH12      ARG 122   5.807  -8.490 -23.770
  912   HH21  ARG 122          HH21      ARG 122   9.060  -8.180 -25.164
  913   HH22  ARG 122          HH22      ARG 122   7.456  -8.736 -25.447
  914    H    VAL 123           H        VAL 123   8.174  -1.906 -18.646
  915    HA   VAL 123           HA       VAL 123   7.134  -2.555 -16.070
  916    HB   VAL 123           HB       VAL 123   8.620  -0.178 -17.109
  917   HG11  VAL 123          HG11      VAL 123   8.058  -0.962 -14.222
  918   HG12  VAL 123          HG12      VAL 123   9.254   0.254 -14.736
  919   HG13  VAL 123          HG13      VAL 123   7.533   0.521 -15.051
  920   HG21  VAL 123          HG21      VAL 123   9.609  -2.523 -15.420
  921   HG22  VAL 123          HG22      VAL 123   9.847  -2.399 -17.171
  922   HG23  VAL 123          HG23      VAL 123  10.577  -1.198 -16.101
  923    H    GLU 124           H        GLU 124   6.188   0.009 -18.437
  924    HA   GLU 124           HA       GLU 124   4.259   1.273 -16.823
  925    HB2  GLU 124           HB2      GLU 124   4.608   0.930 -19.830
  926    HB3  GLU 124           HB3      GLU 124   3.134   1.665 -19.186
  927    HG2  GLU 124           HG2      GLU 124   4.510   3.368 -18.031
  928    HG3  GLU 124           HG3      GLU 124   5.955   2.716 -18.811
  929    H    ASN 125           H        ASN 125   3.967  -1.524 -19.008
  930    HA   ASN 125           HA       ASN 125   1.165  -1.837 -18.728
  931    HB2  ASN 125           HB2      ASN 125   2.472  -2.969 -20.488
  932    HB3  ASN 125           HB3      ASN 125   3.284  -3.964 -19.272
  933   HD21  ASN 125          HD22      ASN 125   0.078  -3.269 -20.766
  934   HD22  ASN 125          HD21      ASN 125  -0.626  -4.804 -20.332
  935    H    LEU 126           H        LEU 126   3.841  -3.284 -16.813
  936    HA   LEU 126           HA       LEU 126   2.297  -4.859 -15.062
  937    HB2  LEU 126           HB2      LEU 126   4.673  -5.049 -15.390
  938    HB3  LEU 126           HB3      LEU 126   4.974  -3.454 -14.731
  939    HG   LEU 126           HG       LEU 126   5.416  -5.559 -13.363
  940   HD11  LEU 126          HD11      LEU 126   5.629  -3.301 -12.459
  941   HD12  LEU 126          HD12      LEU 126   3.909  -3.307 -11.998
  942   HD13  LEU 126          HD13      LEU 126   5.059  -4.445 -11.248
  943   HD21  LEU 126          HD21      LEU 126   3.244  -6.662 -13.657
  944   HD22  LEU 126          HD22      LEU 126   3.646  -6.435 -11.950
  945   HD23  LEU 126          HD23      LEU 126   2.462  -5.378 -12.698
  946    H    ILE 127           H        ILE 127   3.376  -1.414 -14.736
  947    HA   ILE 127           HA       ILE 127   2.208  -0.953 -12.141
  948    HB   ILE 127           HB       ILE 127   3.120   0.814 -14.432
  949   HG12  ILE 127          HG12      ILE 127   4.374   0.031 -11.753
  950   HG13  ILE 127          HG13      ILE 127   4.785  -0.750 -13.253
  951   HG21  ILE 127          HG21      ILE 127   2.398   1.577 -11.557
  952   HG22  ILE 127          HG22      ILE 127   3.142   2.658 -12.766
  953   HG23  ILE 127          HG23      ILE 127   1.512   2.055 -13.020
  954   HD11  ILE 127          HD11      ILE 127   5.328   2.117 -12.531
  955   HD12  ILE 127          HD12      ILE 127   6.460   0.800 -12.885
  956   HD13  ILE 127          HD13      ILE 127   5.457   1.462 -14.205
  957    H    ALA 128           H        ALA 128   1.029  -0.391 -15.531
  958    HA   ALA 128           HA       ALA 128  -1.432   0.776 -14.822
  959    HB1  ALA 128           HB1      ALA 128  -2.117   0.197 -17.104
  960    HB2  ALA 128           HB2      ALA 128  -0.451   0.813 -17.099
  961    HB3  ALA 128           HB3      ALA 128  -0.758  -0.932 -17.259
  962    H    LYS 129           H        LYS 129  -0.488  -2.694 -14.906
  963    HA   LYS 129           HA       LYS 129  -3.176  -3.648 -14.537
  964    HB2  LYS 129           HB2      LYS 129  -0.472  -4.923 -14.010
  965    HB3  LYS 129           HB3      LYS 129  -1.993  -5.718 -13.621
  966    HG2  LYS 129           HG2      LYS 129  -2.713  -5.627 -15.971
  967    HG3  LYS 129           HG3      LYS 129  -1.243  -4.744 -16.415
  968    HD2  LYS 129           HD2      LYS 129   0.151  -6.643 -15.675
  969    HD3  LYS 129           HD3      LYS 129  -1.316  -7.539 -15.199
  970    HE2  LYS 129           HE2      LYS 129  -2.120  -7.283 -17.614
  971    HE3  LYS 129           HE3      LYS 129  -0.514  -6.648 -18.005
  972    HZ1  LYS 129           HZ1      LYS 129   0.401  -8.797 -17.155
  973    HZ2  LYS 129           HZ2      LYS 129  -1.127  -9.369 -17.000
  974    HZ3  LYS 129           HZ3      LYS 129  -0.555  -8.971 -18.482
  975    H    ILE 130           H        ILE 130  -0.444  -3.191 -12.217
  976    HA   ILE 130           HA       ILE 130  -2.130  -3.958 -10.093
  977    HB   ILE 130           HB       ILE 130  -0.282  -3.450  -8.635
  978   HG12  ILE 130          HG12      ILE 130   1.051  -2.338 -11.108
  979   HG13  ILE 130          HG13      ILE 130   0.667  -1.453  -9.642
  980   HG21  ILE 130          HG21      ILE 130   1.128  -5.197  -9.431
  981   HG22  ILE 130          HG22      ILE 130  -0.500  -5.580  -9.970
  982   HG23  ILE 130          HG23      ILE 130   0.668  -4.902 -11.132
  983   HD11  ILE 130          HD11      ILE 130   3.025  -1.920  -9.748
  984   HD12  ILE 130          HD12      ILE 130   2.308  -2.814  -8.385
  985   HD13  ILE 130          HD13      ILE 130   2.732  -3.652  -9.912
  986    H    SER 131           H        SER 131  -1.161  -0.708 -11.131
  987    HA   SER 131           HA       SER 131  -2.516   0.486  -8.847
  988    HB2  SER 131           HB2      SER 131  -0.297   1.445 -10.650
  989    HB3  SER 131           HB3      SER 131  -1.073   2.416  -9.376
  990    HG   SER 131           HG       SER 131   0.864   1.274  -8.672
  Start of MODEL    4
    1    H    MET   1           H        MET   1   2.098  -1.120   1.222
    2    HA   MET   1           HA       MET   1   0.589  -0.553  -1.248
    3    HB2  MET   1           HB2      MET   1   2.077   1.074  -1.887
    4    HB3  MET   1           HB3      MET   1   1.935   1.375  -0.175
    5    HG2  MET   1           HG2      MET   1   4.117  -0.082   0.023
    6    HG3  MET   1           HG3      MET   1   4.255   0.207  -1.719
    7    HE1  MET   1           HE1      MET   1   4.944   4.022  -1.958
    8    HE2  MET   1           HE2      MET   1   4.989   2.467  -2.807
    9    HE3  MET   1           HE3      MET   1   3.427   3.148  -2.269
   10    H    LYS   2           H        LYS   2   1.698  -1.305  -3.293
   11    HA   LYS   2           HA       LYS   2   2.275  -4.138  -2.872
   12    HB2  LYS   2           HB2      LYS   2   2.462  -2.715  -5.543
   13    HB3  LYS   2           HB3      LYS   2   2.084  -4.383  -5.228
   14    HG2  LYS   2           HG2      LYS   2  -0.087  -3.731  -4.199
   15    HG3  LYS   2           HG3      LYS   2   0.296  -2.027  -4.503
   16    HD2  LYS   2           HD2      LYS   2   0.580  -2.729  -6.979
   17    HD3  LYS   2           HD3      LYS   2  -0.311  -4.187  -6.541
   18    HE2  LYS   2           HE2      LYS   2  -1.253  -1.293  -6.124
   19    HE3  LYS   2           HE3      LYS   2  -1.661  -2.281  -7.515
   20    HZ1  LYS   2           HZ1      LYS   2  -2.468  -2.902  -4.711
   21    HZ2  LYS   2           HZ2      LYS   2  -3.440  -2.349  -5.895
   22    HZ3  LYS   2           HZ3      LYS   2  -2.808  -3.844  -6.011
   23    H    LYS   3           H        LYS   3   4.304  -4.982  -2.452
   24    HA   LYS   3           HA       LYS   3   6.642  -3.304  -3.128
   25    HB2  LYS   3           HB2      LYS   3   6.666  -6.008  -1.785
   26    HB3  LYS   3           HB3      LYS   3   8.014  -4.879  -1.961
   27    HG2  LYS   3           HG2      LYS   3   6.703  -3.187  -0.632
   28    HG3  LYS   3           HG3      LYS   3   5.458  -4.421  -0.359
   29    HD2  LYS   3           HD2      LYS   3   7.131  -5.864   0.761
   30    HD3  LYS   3           HD3      LYS   3   8.367  -4.597   0.520
   31    HE2  LYS   3           HE2      LYS   3   6.911  -2.982   1.752
   32    HE3  LYS   3           HE3      LYS   3   5.718  -4.267   2.003
   33    HZ1  LYS   3           HZ1      LYS   3   7.063  -4.125   3.963
   34    HZ2  LYS   3           HZ2      LYS   3   7.491  -5.524   3.203
   35    HZ3  LYS   3           HZ3      LYS   3   8.466  -4.210   3.122
   36    H    VAL   4           H        VAL   4   8.047  -3.712  -4.704
   37    HA   VAL   4           HA       VAL   4   7.184  -5.690  -6.757
   38    HB   VAL   4           HB       VAL   4   8.523  -3.104  -7.427
   39   HG11  VAL   4          HG11      VAL   4   7.194  -3.252  -9.483
   40   HG12  VAL   4          HG12      VAL   4   8.037  -4.791  -9.222
   41   HG13  VAL   4          HG13      VAL   4   6.305  -4.624  -8.849
   42   HG21  VAL   4          HG21      VAL   4   6.461  -1.880  -7.679
   43   HG22  VAL   4          HG22      VAL   4   5.536  -3.203  -6.912
   44   HG23  VAL   4          HG23      VAL   4   6.728  -2.260  -5.990
   45    H    MET   5           H        MET   5   8.792  -6.672  -7.902
   46    HA   MET   5           HA       MET   5  11.651  -5.981  -7.480
   47    HB2  MET   5           HB2      MET   5  10.500  -8.802  -7.565
   48    HB3  MET   5           HB3      MET   5  12.207  -8.401  -7.737
   49    HG2  MET   5           HG2      MET   5  11.806  -7.209  -5.407
   50    HG3  MET   5           HG3      MET   5  10.499  -8.391  -5.296
   51    HE1  MET   5           HE1      MET   5  13.249  -8.047  -3.462
   52    HE2  MET   5           HE2      MET   5  11.819  -9.049  -3.129
   53    HE3  MET   5           HE3      MET   5  13.432  -9.774  -3.071
   54    H    PHE   6           H        PHE   6  12.880  -6.154  -9.354
   55    HA   PHE   6           HA       PHE   6  11.753  -7.543 -11.709
   56    HB2  PHE   6           HB2      PHE   6  13.211  -4.859 -11.839
   57    HB3  PHE   6           HB3      PHE   6  12.602  -5.814 -13.181
   58    HD1  PHE   6           HD2      PHE   6  11.527  -3.889 -10.184
   59    HD2  PHE   6           HD1      PHE   6  10.471  -5.417 -14.080
   60    HE1  PHE   6           HE2      PHE   6   9.421  -2.584 -10.124
   61    HE2  PHE   6           HE1      PHE   6   8.389  -4.054 -14.039
   62    HZ   PHE   6           HZ       PHE   6   7.846  -2.673 -12.039
   63    H    VAL   7           H        VAL   7  13.206  -9.226 -11.948
   64    HA   VAL   7           HA       VAL   7  16.090  -8.646 -11.763
   65    HB   VAL   7           HB       VAL   7  15.488  -8.818  -9.454
   66   HG11  VAL   7          HG11      VAL   7  13.322  -9.856  -9.467
   67   HG12  VAL   7          HG12      VAL   7  13.988 -11.382 -10.090
   68   HG13  VAL   7          HG13      VAL   7  14.393 -10.817  -8.451
   69   HG21  VAL   7          HG21      VAL   7  17.570  -9.987 -10.127
   70   HG22  VAL   7          HG22      VAL   7  16.828 -10.640  -8.662
   71   HG23  VAL   7          HG23      VAL   7  16.664 -11.523 -10.196
   72    H    CYS   8           H        CYS   8  17.334 -10.202 -12.808
   73    HA   CYS   8           HA       CYS   8  16.322 -12.864 -13.332
   74    HB2  CYS   8           HB2      CYS   8  15.370 -11.788 -15.309
   75    HB3  CYS   8           HB3      CYS   8  16.891 -10.926 -15.617
   76    H    LYS   9           H        LYS   9  18.173 -14.213 -13.598
   77    HA   LYS   9           HA       LYS   9  20.238 -14.883 -13.208
   78    HB2  LYS   9           HB2      LYS   9  20.180 -13.710 -15.656
   79    HB3  LYS   9           HB3      LYS   9  21.545 -12.858 -14.972
   80    HG2  LYS   9           HG2      LYS   9  21.197 -15.877 -15.155
   81    HG3  LYS   9           HG3      LYS   9  22.205 -14.876 -16.202
   82    HD2  LYS   9           HD2      LYS   9  23.650 -14.285 -14.264
   83    HD3  LYS   9           HD3      LYS   9  22.638 -15.299 -13.209
   84    HE2  LYS   9           HE2      LYS   9  23.131 -17.270 -14.685
   85    HE3  LYS   9           HE3      LYS   9  24.227 -16.260 -15.637
   86    HZ1  LYS   9           HZ1      LYS   9  25.387 -17.571 -13.923
   87    HZ2  LYS   9           HZ2      LYS   9  25.579 -15.968 -13.629
   88    HZ3  LYS   9           HZ3      LYS   9  24.528 -16.815 -12.726
   89    H    ARG  10           H        ARG  10  21.270 -11.399 -13.406
   90    HA   ARG  10           HA       ARG  10  21.763 -11.450 -10.521
   91    HB2  ARG  10           HB2      ARG  10  24.160 -10.877 -10.721
   92    HB3  ARG  10           HB3      ARG  10  23.783 -12.489 -11.301
   93    HG2  ARG  10           HG2      ARG  10  24.075 -11.871 -13.599
   94    HG3  ARG  10           HG3      ARG  10  24.086 -10.148 -13.221
   95    HD2  ARG  10           HD2      ARG  10  26.361 -10.977 -13.668
   96    HD3  ARG  10           HD3      ARG  10  26.197 -10.362 -12.012
   97    HE   ARG  10           HE       ARG  10  25.705 -13.207 -12.081
   98   HH11  ARG  10          HH11      ARG  10  28.416 -10.868 -12.158
   99   HH12  ARG  10          HH12      ARG  10  29.571 -12.027 -11.612
  100   HH21  ARG  10          HH21      ARG  10  27.131 -14.624 -11.323
  101   HH22  ARG  10          HH22      ARG  10  28.840 -14.267 -11.119
  102    H    ASN  11           H        ASN  11  22.945  -9.244  -9.982
  103    HA   ASN  11           HA       ASN  11  21.120  -7.178 -10.429
  104    HB2  ASN  11           HB2      ASN  11  22.965  -7.439  -8.630
  105    HB3  ASN  11           HB3      ASN  11  24.091  -6.765  -9.816
  106   HD21  ASN  11          HD22      ASN  11  23.493  -4.489 -10.663
  107   HD22  ASN  11          HD21      ASN  11  22.661  -3.439  -9.531
  108    H    SER  12           H        SER  12  24.126  -7.925 -12.280
  109    HA   SER  12           HA       SER  12  24.258  -5.523 -13.723
  110    HB2  SER  12           HB2      SER  12  25.320  -7.994 -14.985
  111    HB3  SER  12           HB3      SER  12  26.132  -6.470 -14.596
  112    HG   SER  12           HG       SER  12  26.955  -8.101 -13.289
  113    H    SER  13           H        SER  13  22.241  -8.342 -14.237
  114    HA   SER  13           HA       SER  13  22.070  -8.345 -17.044
  115    HB2  SER  13           HB2      SER  13  20.129  -9.465 -14.991
  116    HB3  SER  13           HB3      SER  13  20.508 -10.140 -16.588
  117    HG   SER  13           HG       SER  13  22.597 -10.626 -15.842
  118    H    ARG  14           H        ARG  14  19.225  -8.562 -17.547
  119    HA   ARG  14           HA       ARG  14  18.455  -5.928 -18.178
  120    HB2  ARG  14           HB2      ARG  14  16.766  -8.438 -17.696
  121    HB3  ARG  14           HB3      ARG  14  16.077  -6.915 -18.245
  122    HG2  ARG  14           HG2      ARG  14  16.560  -7.374 -20.357
  123    HG3  ARG  14           HG3      ARG  14  18.262  -7.348 -19.974
  124    HD2  ARG  14           HD2      ARG  14  18.014  -9.381 -21.001
  125    HD3  ARG  14           HD3      ARG  14  17.984  -9.856 -19.303
  126    HE   ARG  14           HE       ARG  14  15.362  -9.707 -19.663
  127   HH11  ARG  14          HH21      ARG  14  17.714 -11.047 -21.988
  128   HH12  ARG  14          HH22      ARG  14  16.541 -12.001 -22.817
  129   HH21  ARG  14          HH11      ARG  14  13.835 -10.978 -20.731
  130   HH22  ARG  14          HH12      ARG  14  14.280 -11.957 -22.097
  131    H    SER  15           H        SER  15  18.113  -7.545 -15.038
  132    HA   SER  15           HA       SER  15  16.446  -6.029 -13.528
  133    HB2  SER  15           HB2      SER  15  19.305  -6.568 -12.696
  134    HB3  SER  15           HB3      SER  15  17.816  -6.721 -11.739
  135    HG   SER  15           HG       SER  15  19.027  -8.686 -12.855
  136    H    GLN  16           H        GLN  16  19.485  -4.856 -14.988
  137    HA   GLN  16           HA       GLN  16  19.955  -2.560 -13.516
  138    HB2  GLN  16           HB2      GLN  16  21.276  -1.847 -15.365
  139    HB3  GLN  16           HB3      GLN  16  21.387  -3.606 -15.288
  140    HG2  GLN  16           HG2      GLN  16  19.538  -3.665 -17.081
  141    HG3  GLN  16           HG3      GLN  16  19.737  -1.915 -17.217
  142   HE21  GLN  16          HE22      GLN  16  21.802  -4.928 -17.307
  143   HE22  GLN  16          HE21      GLN  16  22.480  -4.525 -18.861
  144    H    MET  17           H        MET  17  17.393  -2.957 -16.049
  145    HA   MET  17           HA       MET  17  17.016  -0.012 -15.985
  146    HB2  MET  17           HB2      MET  17  17.471  -1.570 -18.103
  147    HB3  MET  17           HB3      MET  17  15.721  -1.707 -18.075
  148    HG2  MET  17           HG2      MET  17  17.399   0.816 -18.171
  149    HG3  MET  17           HG3      MET  17  16.461   0.146 -19.502
  150    HE1  MET  17           HE1      MET  17  16.500   2.055 -16.040
  151    HE2  MET  17           HE2      MET  17  16.587   3.232 -17.365
  152    HE3  MET  17           HE3      MET  17  15.140   3.152 -16.327
  153    H    ALA  18           H        ALA  18  14.935  -2.944 -15.961
  154    HA   ALA  18           HA       ALA  18  12.578  -1.380 -15.877
  155    HB1  ALA  18           HB1      ALA  18  12.746  -3.793 -16.609
  156    HB2  ALA  18           HB2      ALA  18  12.824  -4.228 -14.885
  157    HB3  ALA  18           HB3      ALA  18  11.375  -3.442 -15.535
  158    H    GLU  19           H        GLU  19  14.411  -2.537 -13.024
  159    HA   GLU  19           HA       GLU  19  12.388  -1.580 -11.184
  160    HB2  GLU  19           HB2      GLU  19  13.989  -1.885  -9.478
  161    HB3  GLU  19           HB3      GLU  19  14.253  -3.162 -10.642
  162    HG2  GLU  19           HG2      GLU  19  16.393  -2.478 -10.059
  163    HG3  GLU  19           HG3      GLU  19  16.129  -1.712 -11.630
  164    H    GLY  20           H        GLY  20  15.004  -0.047 -12.958
  165    HA2  GLY  20           HA2      GLY  20  15.200   2.489 -11.836
  166    HA3  GLY  20           HA3      GLY  20  15.369   2.084 -13.551
  167    H    PHE  21           H        PHE  21  13.113   1.629 -14.714
  168    HA   PHE  21           HA       PHE  21  11.648   4.058 -14.468
  169    HB2  PHE  21           HB2      PHE  21  11.112   1.472 -15.921
  170    HB3  PHE  21           HB3      PHE  21   9.794   2.619 -15.745
  171    HD1  PHE  21           HD1      PHE  21  10.466   5.219 -16.131
  172    HD2  PHE  21           HD2      PHE  21  12.503   1.762 -17.718
  173    HE1  PHE  21           HE1      PHE  21  11.369   6.582 -18.017
  174    HE2  PHE  21           HE2      PHE  21  13.568   3.118 -19.422
  175    HZ   PHE  21           HZ       PHE  21  12.914   5.554 -19.682
  176    H    ALA  22           H        ALA  22  11.003   0.928 -12.850
  177    HA   ALA  22           HA       ALA  22   8.307   1.661 -12.297
  178    HB1  ALA  22           HB1      ALA  22   9.126  -0.627 -12.236
  179    HB2  ALA  22           HB2      ALA  22  10.165  -0.274 -10.853
  180    HB3  ALA  22           HB3      ALA  22   8.381  -0.209 -10.668
  181    H    LYS  23           H        LYS  23  11.327   2.482 -10.530
  182    HA   LYS  23           HA       LYS  23   9.829   3.583  -8.301
  183    HB2  LYS  23           HB2      LYS  23  11.851   4.368  -7.452
  184    HB3  LYS  23           HB3      LYS  23  12.251   2.858  -8.242
  185    HG2  LYS  23           HG2      LYS  23  12.633   5.019 -10.152
  186    HG3  LYS  23           HG3      LYS  23  13.346   5.515  -8.637
  187    HD2  LYS  23           HD2      LYS  23  13.963   2.931 -10.104
  188    HD3  LYS  23           HD3      LYS  23  14.911   4.416 -10.217
  189    HE2  LYS  23           HE2      LYS  23  15.274   4.204  -7.681
  190    HE3  LYS  23           HE3      LYS  23  14.475   2.610  -7.786
  191    HZ1  LYS  23           HZ1      LYS  23  16.947   2.560  -7.883
  192    HZ2  LYS  23           HZ2      LYS  23  16.218   1.779  -9.115
  193    HZ3  LYS  23           HZ3      LYS  23  16.905   3.273  -9.363
  194    H    THR  24           H        THR  24  10.435   4.789 -11.530
  195    HA   THR  24           HA       THR  24   9.784   7.530 -10.888
  196    HB   THR  24           HB       THR  24  10.671   5.965 -13.271
  197    HG1  THR  24           HG1      THR  24  12.162   6.833 -11.755
  198   HG21  THR  24          HG21      THR  24   9.015   7.336 -14.277
  199   HG22  THR  24          HG22      THR  24   9.551   8.775 -13.367
  200   HG23  THR  24          HG23      THR  24  10.605   8.042 -14.610
  201    H    LEU  25           H        LEU  25   8.305   4.926 -12.825
  202    HA   LEU  25           HA       LEU  25   5.901   6.441 -13.351
  203    HB2  LEU  25           HB2      LEU  25   6.557   3.481 -13.632
  204    HB3  LEU  25           HB3      LEU  25   5.114   4.239 -14.310
  205    HG   LEU  25           HG       LEU  25   7.972   4.993 -15.058
  206   HD11  LEU  25          HD11      LEU  25   6.007   3.085 -16.360
  207   HD12  LEU  25          HD12      LEU  25   7.499   3.671 -17.140
  208   HD13  LEU  25          HD13      LEU  25   7.583   2.703 -15.664
  209   HD21  LEU  25          HD21      LEU  25   5.297   5.663 -16.367
  210   HD22  LEU  25          HD22      LEU  25   6.384   6.806 -15.546
  211   HD23  LEU  25          HD23      LEU  25   6.900   6.032 -17.048
  212    H    GLY  26           H        GLY  26   6.809   3.931 -10.975
  213    HA2  GLY  26           HA2      GLY  26   4.057   3.692  -9.966
  214    HA3  GLY  26           HA3      GLY  26   5.482   2.723  -9.540
  215    H    ALA  27           H        ALA  27   6.237   6.058  -9.493
  216    HA   ALA  27           HA       ALA  27   7.104   6.092  -6.871
  217    HB1  ALA  27           HB1      ALA  27   6.136   8.456  -8.554
  218    HB2  ALA  27           HB2      ALA  27   7.181   8.551  -7.121
  219    HB3  ALA  27           HB3      ALA  27   7.762   7.756  -8.599
  220    H    GLY  28           H        GLY  28   6.103   6.129  -4.943
  221    HA2  GLY  28           HA2      GLY  28   4.625   6.643  -3.275
  222    HA3  GLY  28           HA3      GLY  28   3.729   7.676  -4.391
  223    H    LYS  29           H        LYS  29   3.715   4.891  -6.112
  224    HA   LYS  29           HA       LYS  29   1.141   3.974  -4.907
  225    HB2  LYS  29           HB2      LYS  29   2.314   3.223  -7.624
  226    HB3  LYS  29           HB3      LYS  29   0.683   2.913  -7.025
  227    HG2  LYS  29           HG2      LYS  29   0.294   5.400  -6.971
  228    HG3  LYS  29           HG3      LYS  29   1.888   5.620  -7.713
  229    HD2  LYS  29           HD2      LYS  29   1.120   4.170  -9.654
  230    HD3  LYS  29           HD3      LYS  29  -0.497   4.144  -8.911
  231    HE2  LYS  29           HE2      LYS  29  -0.479   6.664  -8.943
  232    HE3  LYS  29           HE3      LYS  29   1.061   6.602  -9.821
  233    HZ1  LYS  29           HZ1      LYS  29  -1.521   5.511 -10.813
  234    HZ2  LYS  29           HZ2      LYS  29  -0.819   6.892 -11.316
  235    HZ3  LYS  29           HZ3      LYS  29  -0.096   5.467 -11.639
  236    H    ILE  30           H        ILE  30   4.278   2.703  -6.109
  237    HA   ILE  30           HA       ILE  30   3.853   0.243  -4.498
  238    HB   ILE  30           HB       ILE  30   4.395  -1.157  -6.400
  239   HG12  ILE  30          HG12      ILE  30   4.189   1.360  -8.122
  240   HG13  ILE  30          HG13      ILE  30   5.686   0.487  -7.779
  241   HG21  ILE  30          HG21      ILE  30   1.991  -0.505  -5.814
  242   HG22  ILE  30          HG22      ILE  30   2.041   0.617  -7.189
  243   HG23  ILE  30          HG23      ILE  30   2.247  -1.118  -7.457
  244   HD11  ILE  30          HD11      ILE  30   5.050  -0.221  -9.935
  245   HD12  ILE  30          HD12      ILE  30   4.569  -1.560  -8.885
  246   HD13  ILE  30          HD13      ILE  30   3.340  -0.430  -9.494
  247    H    ALA  31           H        ALA  31   5.792  -0.882  -3.995
  248    HA   ALA  31           HA       ALA  31   8.063   1.045  -3.684
  249    HB1  ALA  31           HB1      ALA  31   7.136  -1.284  -1.944
  250    HB2  ALA  31           HB2      ALA  31   8.521  -0.231  -1.623
  251    HB3  ALA  31           HB3      ALA  31   6.880   0.454  -1.608
  252    H    VAL  32           H        VAL  32   9.525   0.514  -5.320
  253    HA   VAL  32           HA       VAL  32   9.994  -2.314  -6.010
  254    HB   VAL  32           HB       VAL  32  11.486   0.150  -6.994
  255   HG11  VAL  32          HG11      VAL  32  12.457  -2.010  -7.581
  256   HG12  VAL  32          HG12      VAL  32  10.898  -2.606  -8.172
  257   HG13  VAL  32          HG13      VAL  32  11.733  -1.273  -9.021
  258   HG21  VAL  32          HG21      VAL  32   8.914  -0.922  -8.228
  259   HG22  VAL  32          HG22      VAL  32   9.048   0.614  -7.340
  260   HG23  VAL  32          HG23      VAL  32   9.964   0.403  -8.797
  261    H    THR  33           H        THR  33  11.454  -3.533  -5.012
  262    HA   THR  33           HA       THR  33  14.043  -2.475  -4.212
  263    HB   THR  33           HB       THR  33  12.312  -4.067  -2.314
  264    HG1  THR  33           HG1      THR  33  12.057  -2.224  -1.057
  265   HG21  THR  33          HG21      THR  33  15.015  -2.700  -1.873
  266   HG22  THR  33          HG22      THR  33  14.084  -3.556  -0.617
  267   HG23  THR  33          HG23      THR  33  14.730  -4.451  -1.995
  268    H    SER  34           H        SER  34  14.966  -3.857  -5.832
  269    HA   SER  34           HA       SER  34  13.674  -6.472  -6.122
  270    HB2  SER  34           HB2      SER  34  15.692  -5.130  -7.952
  271    HB3  SER  34           HB3      SER  34  14.727  -6.578  -8.304
  272    HG   SER  34           HG       SER  34  13.833  -3.883  -7.971
  273    H    SER  35           H        SER  35  16.151  -5.591  -4.202
  274    HA   SER  35           HA       SER  35  18.013  -6.601  -3.332
  275    HB2  SER  35           HB2      SER  35  16.704  -9.219  -4.072
  276    HB3  SER  35           HB3      SER  35  17.627  -8.810  -2.618
  277    HG   SER  35           HG       SER  35  15.852  -7.551  -1.924
  278    H    GLY  36           H        GLY  36  19.076  -9.333  -4.197
  279    HA2  GLY  36           HA2      GLY  36  19.569  -9.250  -7.013
  280    HA3  GLY  36           HA3      GLY  36  21.008  -8.790  -6.083
  281    H    LEU  37           H        LEU  37  21.083 -11.112  -7.589
  282    HA   LEU  37           HA       LEU  37  21.532 -13.141  -5.576
  283    HB2  LEU  37           HB2      LEU  37  20.171 -13.391  -8.289
  284    HB3  LEU  37           HB3      LEU  37  21.008 -14.764  -7.583
  285    HG   LEU  37           HG       LEU  37  19.038 -13.389  -5.807
  286   HD11  LEU  37          HD11      LEU  37  17.119 -14.607  -6.890
  287   HD12  LEU  37          HD12      LEU  37  17.834 -13.315  -7.885
  288   HD13  LEU  37          HD13      LEU  37  18.227 -15.013  -8.228
  289   HD21  LEU  37          HD21      LEU  37  18.566 -15.754  -5.147
  290   HD22  LEU  37          HD22      LEU  37  19.654 -16.315  -6.427
  291   HD23  LEU  37          HD23      LEU  37  20.296 -15.384  -5.059
  292    H    GLU  38           H        GLU  38  23.527 -14.108  -6.026
  293    HA   GLU  38           HA       GLU  38  25.648 -14.335  -6.739
  294    HB2  GLU  38           HB2      GLU  38  24.893 -13.119  -9.406
  295    HB3  GLU  38           HB3      GLU  38  26.288 -14.136  -9.026
  296    HG2  GLU  38           HG2      GLU  38  24.706 -15.997  -8.515
  297    HG3  GLU  38           HG3      GLU  38  23.360 -14.945  -8.997
  298    H    SER  39           H        SER  39  24.417 -11.412  -8.214
  299    HA   SER  39           HA       SER  39  24.753  -9.304  -8.156
  300    HB2  SER  39           HB2      SER  39  25.605  -9.946  -5.357
  301    HB3  SER  39           HB3      SER  39  25.253  -8.278  -5.953
  302    HG   SER  39           HG       SER  39  23.422  -9.385  -4.972
  303    H    SER  40           H        SER  40  25.912  -7.491  -8.042
  304    HA   SER  40           HA       SER  40  28.652  -7.047  -8.444
  305    HB2  SER  40           HB2      SER  40  26.896  -7.949 -10.772
  306    HB3  SER  40           HB3      SER  40  28.307  -6.898 -11.051
  307    HG   SER  40           HG       SER  40  28.509  -9.353  -9.645
  308    H    ARG  41           H        ARG  41  28.333  -4.876 -10.159
  309    HA   ARG  41           HA       ARG  41  25.801  -3.525  -9.287
  310    HB2  ARG  41           HB2      ARG  41  28.451  -2.614  -8.884
  311    HB3  ARG  41           HB3      ARG  41  27.911  -1.724 -10.316
  312    HG2  ARG  41           HG2      ARG  41  25.938  -0.889  -9.078
  313    HG3  ARG  41           HG3      ARG  41  26.390  -1.878  -7.673
  314    HD2  ARG  41           HD2      ARG  41  28.471  -0.615  -7.414
  315    HD3  ARG  41           HD3      ARG  41  28.089   0.362  -8.850
  316    HE   ARG  41           HE       ARG  41  25.872   0.678  -7.251
  317   HH11  ARG  41          HH11      ARG  41  29.346   1.297  -6.766
  318   HH12  ARG  41          HH12      ARG  41  29.098   2.563  -5.614
  319   HH21  ARG  41          HH21      ARG  41  25.551   2.334  -5.724
  320   HH22  ARG  41          HH22      ARG  41  26.885   3.169  -5.007
  321    H    VAL  42           H        VAL  42  25.162  -1.815 -10.951
  322    HA   VAL  42           HA       VAL  42  24.679  -3.231 -13.444
  323    HB   VAL  42           HB       VAL  42  23.304  -1.383 -13.957
  324   HG11  VAL  42          HG11      VAL  42  21.681  -1.317 -12.209
  325   HG12  VAL  42          HG12      VAL  42  22.377  -2.945 -12.252
  326   HG13  VAL  42          HG13      VAL  42  22.864  -1.766 -10.984
  327   HG21  VAL  42          HG21      VAL  42  24.634   0.496 -13.357
  328   HG22  VAL  42          HG22      VAL  42  23.114   0.632 -12.462
  329   HG23  VAL  42          HG23      VAL  42  24.582   0.091 -11.624
  330    H    HIS  43           H        HIS  43  25.106  -2.014 -15.570
  331    HA   HIS  43           HA       HIS  43  27.982  -1.610 -15.652
  332    HB2  HIS  43           HB2      HIS  43  25.874  -1.676 -17.844
  333    HB3  HIS  43           HB3      HIS  43  27.604  -1.573 -18.140
  334    HD1  HIS  43           HD1      HIS  43  28.976  -3.754 -16.611
  335    HD2  HIS  43           HD2      HIS  43  25.030  -4.134 -18.045
  336    HE1  HIS  43           HE1      HIS  43  28.456  -6.240 -16.627
  337    HA   PRO  44           HA       PRO  44  28.261   2.718 -15.421
  338    HB2  PRO  44           HB2      PRO  44  30.203   3.416 -17.280
  339    HB3  PRO  44           HB3      PRO  44  30.545   2.591 -15.729
  340    HG2  PRO  44           HG2      PRO  44  30.127   1.296 -18.463
  341    HG3  PRO  44           HG3      PRO  44  31.489   1.046 -17.317
  342    HD2  PRO  44           HD2      PRO  44  29.457  -0.672 -17.341
  343    HD3  PRO  44           HD3      PRO  44  30.052  -0.084 -15.763
  344    H    THR  45           H        THR  45  28.262   1.759 -18.926
  345    HA   THR  45           HA       THR  45  27.063   4.132 -19.833
  346    HB   THR  45           HB       THR  45  26.843   1.446 -21.112
  347    HG1  THR  45           HG1      THR  45  28.931   1.767 -21.898
  348   HG21  THR  45          HG21      THR  45  27.170   4.253 -22.278
  349   HG22  THR  45          HG22      THR  45  27.094   2.741 -23.220
  350   HG23  THR  45          HG23      THR  45  25.681   3.278 -22.302
  351    H    ALA  46           H        ALA  46  25.602   1.235 -18.353
  352    HA   ALA  46           HA       ALA  46  22.919   1.788 -19.138
  353    HB1  ALA  46           HB1      ALA  46  23.705   0.669 -16.372
  354    HB2  ALA  46           HB2      ALA  46  22.231   0.381 -17.281
  355    HB3  ALA  46           HB3      ALA  46  23.743  -0.335 -17.854
  356    H    ILE  47           H        ILE  47  24.783   2.785 -16.266
  357    HA   ILE  47           HA       ILE  47  22.667   4.307 -15.153
  358    HB   ILE  47           HB       ILE  47  25.715   4.710 -14.929
  359   HG12  ILE  47          HG12      ILE  47  23.944   3.278 -12.924
  360   HG13  ILE  47          HG13      ILE  47  24.732   2.431 -14.248
  361   HG21  ILE  47          HG21      ILE  47  24.675   6.726 -14.115
  362   HG22  ILE  47          HG22      ILE  47  23.468   5.810 -13.197
  363   HG23  ILE  47          HG23      ILE  47  25.168   5.800 -12.696
  364   HD11  ILE  47          HD11      ILE  47  26.040   2.224 -12.204
  365   HD12  ILE  47          HD12      ILE  47  26.944   3.101 -13.455
  366   HD13  ILE  47          HD13      ILE  47  26.214   3.979 -12.096
  367    H    ALA  48           H        ALA  48  25.233   5.241 -17.483
  368    HA   ALA  48           HA       ALA  48  24.583   7.986 -17.524
  369    HB1  ALA  48           HB1      ALA  48  25.648   6.279 -19.827
  370    HB2  ALA  48           HB2      ALA  48  25.743   8.043 -19.703
  371    HB3  ALA  48           HB3      ALA  48  26.638   7.031 -18.553
  372    H    MET  49           H        MET  49  23.181   5.290 -19.467
  373    HA   MET  49           HA       MET  49  21.523   7.079 -21.057
  374    HB2  MET  49           HB2      MET  49  21.489   4.073 -20.650
  375    HB3  MET  49           HB3      MET  49  20.560   4.952 -21.886
  376    HG2  MET  49           HG2      MET  49  23.609   5.003 -21.642
  377    HG3  MET  49           HG3      MET  49  22.750   3.955 -22.702
  378    HE1  MET  49           HE1      MET  49  24.297   8.021 -23.537
  379    HE2  MET  49           HE2      MET  49  23.813   7.575 -21.879
  380    HE3  MET  49           HE3      MET  49  24.988   6.576 -22.760
  381    H    MET  50           H        MET  50  21.108   5.174 -18.119
  382    HA   MET  50           HA       MET  50  18.242   5.629 -18.026
  383    HB2  MET  50           HB2      MET  50  20.047   4.737 -15.772
  384    HB3  MET  50           HB3      MET  50  18.299   4.595 -15.865
  385    HG2  MET  50           HG2      MET  50  20.379   2.815 -16.874
  386    HG3  MET  50           HG3      MET  50  18.742   2.464 -16.479
  387    HE1  MET  50           HE1      MET  50  19.380   0.444 -18.359
  388    HE2  MET  50           HE2      MET  50  19.414   0.779 -20.099
  389    HE3  MET  50           HE3      MET  50  20.802   1.201 -19.087
  390    H    GLU  51           H        GLU  51  21.174   7.300 -16.896
  391    HA   GLU  51           HA       GLU  51  19.751   9.349 -15.527
  392    HB2  GLU  51           HB2      GLU  51  22.064   8.773 -14.989
  393    HB3  GLU  51           HB3      GLU  51  22.591   9.283 -16.603
  394    HG2  GLU  51           HG2      GLU  51  21.976  11.596 -16.114
  395    HG3  GLU  51           HG3      GLU  51  21.243  11.120 -14.575
  396    H    GLU  52           H        GLU  52  20.323   8.671 -18.945
  397    HA   GLU  52           HA       GLU  52  19.835  11.365 -19.807
  398    HB2  GLU  52           HB2      GLU  52  19.089   8.840 -21.331
  399    HB3  GLU  52           HB3      GLU  52  18.955  10.474 -21.926
  400    HG2  GLU  52           HG2      GLU  52  21.373  10.818 -21.682
  401    HG3  GLU  52           HG3      GLU  52  21.566   9.146 -21.186
  402    H    VAL  53           H        VAL  53  17.779   8.682 -18.745
  403    HA   VAL  53           HA       VAL  53  15.428  10.526 -18.935
  404    HB   VAL  53           HB       VAL  53  15.159   8.276 -19.785
  405   HG11  VAL  53          HG11      VAL  53  15.292   7.413 -16.879
  406   HG12  VAL  53          HG12      VAL  53  14.689   6.400 -18.200
  407   HG13  VAL  53          HG13      VAL  53  16.374   6.915 -18.182
  408   HG21  VAL  53          HG21      VAL  53  12.927   7.987 -19.126
  409   HG22  VAL  53          HG22      VAL  53  13.177   8.784 -17.568
  410   HG23  VAL  53          HG23      VAL  53  13.249   9.724 -19.081
  411    H    GLY  54           H        GLY  54  17.859  10.596 -16.963
  412    HA2  GLY  54           HA2      GLY  54  18.161  11.619 -14.960
  413    HA3  GLY  54           HA3      GLY  54  16.426  11.954 -14.911
  414    H    ILE  55           H        ILE  55  17.319   8.576 -15.178
  415    HA   ILE  55           HA       ILE  55  16.257   8.144 -12.455
  416    HB   ILE  55           HB       ILE  55  16.440   6.441 -14.882
  417   HG12  ILE  55          HG12      ILE  55  14.192   7.610 -13.206
  418   HG13  ILE  55          HG13      ILE  55  14.590   8.019 -14.862
  419   HG21  ILE  55          HG21      ILE  55  15.477   4.569 -13.714
  420   HG22  ILE  55          HG22      ILE  55  16.953   4.998 -12.897
  421   HG23  ILE  55          HG23      ILE  55  15.398   5.496 -12.188
  422   HD11  ILE  55          HD11      ILE  55  13.339   5.478 -13.806
  423   HD12  ILE  55          HD12      ILE  55  12.650   6.644 -14.949
  424   HD13  ILE  55          HD13      ILE  55  13.983   5.591 -15.472
  425    H    ASP  56           H        ASP  56  17.323   7.036 -10.871
  426    HA   ASP  56           HA       ASP  56  20.215   6.461 -11.228
  427    HB2  ASP  56           HB2      ASP  56  19.548   7.752  -9.247
  428    HB3  ASP  56           HB3      ASP  56  18.450   6.460  -8.752
  429    H    ILE  57           H        ILE  57  20.855   4.410 -11.519
  430    HA   ILE  57           HA       ILE  57  19.158   2.139 -10.586
  431    HB   ILE  57           HB       ILE  57  19.852   0.788 -12.497
  432   HG12  ILE  57          HG12      ILE  57  20.671   3.278 -14.028
  433   HG13  ILE  57          HG13      ILE  57  21.869   2.408 -13.081
  434   HG21  ILE  57          HG21      ILE  57  17.658   1.940 -12.503
  435   HG22  ILE  57          HG22      ILE  57  18.379   3.326 -13.358
  436   HG23  ILE  57          HG23      ILE  57  18.279   1.752 -14.145
  437   HD11  ILE  57          HD11      ILE  57  21.469   0.341 -14.297
  438   HD12  ILE  57          HD12      ILE  57  20.216   1.126 -15.271
  439   HD13  ILE  57          HD13      ILE  57  21.890   1.679 -15.382
  440    H    SER  58           H        SER  58  22.335   3.536 -11.159
  441    HA   SER  58           HA       SER  58  24.235   1.975 -10.240
  442    HB2  SER  58           HB2      SER  58  24.104   4.553  -8.804
  443    HB3  SER  58           HB3      SER  58  25.260   4.022 -10.041
  444    HG   SER  58           HG       SER  58  23.881   5.866 -10.576
  445    H    GLY  59           H        GLY  59  21.749   3.392  -8.073
  446    HA2  GLY  59           HA2      GLY  59  22.984   2.394  -5.649
  447    HA3  GLY  59           HA3      GLY  59  21.450   3.258  -5.826
  448    H    GLN  60           H        GLN  60  21.570   0.443  -7.877
  449    HA   GLN  60           HA       GLN  60  19.371  -0.721  -6.594
  450    HB2  GLN  60           HB2      GLN  60  21.028  -1.301  -8.916
  451    HB3  GLN  60           HB3      GLN  60  20.858  -2.789  -7.982
  452    HG2  GLN  60           HG2      GLN  60  18.420  -2.586  -8.087
  453    HG3  GLN  60           HG3      GLN  60  18.581  -0.968  -8.805
  454   HE21  GLN  60          HE22      GLN  60  18.678  -0.795 -10.945
  455   HE22  GLN  60          HE21      GLN  60  18.747  -2.153 -12.050
  456    H    THR  61           H        THR  61  22.808  -1.303  -5.998
  457    HA   THR  61           HA       THR  61  22.442  -3.875  -4.891
  458    HB   THR  61           HB       THR  61  24.923  -3.183  -4.010
  459    HG1  THR  61           HG1      THR  61  24.950  -1.037  -4.616
  460   HG21  THR  61          HG21      THR  61  25.774  -3.930  -6.189
  461   HG22  THR  61          HG22      THR  61  24.384  -4.911  -5.683
  462   HG23  THR  61          HG23      THR  61  24.178  -3.658  -6.929
  463    H    SER  62           H        SER  62  22.103  -4.511  -2.754
  464    HA   SER  62           HA       SER  62  22.398  -2.684  -0.514
  465    HB2  SER  62           HB2      SER  62  19.634  -3.369  -1.583
  466    HB3  SER  62           HB3      SER  62  19.909  -2.921   0.114
  467    HG   SER  62           HG       SER  62  20.993  -1.281  -1.874
  468    H    ASP  63           H        ASP  63  20.439  -5.644  -1.433
  469    HA   ASP  63           HA       ASP  63  21.941  -7.231   0.544
  470    HB2  ASP  63           HB2      ASP  63  19.051  -6.392   0.827
  471    HB3  ASP  63           HB3      ASP  63  19.514  -8.016   1.313
  472    HA   PRO  64           HA       PRO  64  20.895 -10.386  -2.461
  473    HB2  PRO  64           HB2      PRO  64  21.000 -12.674  -0.983
  474    HB3  PRO  64           HB3      PRO  64  22.464 -11.732  -1.386
  475    HG2  PRO  64           HG2      PRO  64  20.841 -11.613   1.191
  476    HG3  PRO  64           HG3      PRO  64  22.612 -11.805   1.005
  477    HD2  PRO  64           HD2      PRO  64  21.462  -9.390   1.457
  478    HD3  PRO  64           HD3      PRO  64  22.889  -9.544   0.391
  479    H    ILE  65           H        ILE  65  19.050 -11.707  -3.053
  480    HA   ILE  65           HA       ILE  65  16.562 -10.792  -2.106
  481    HB   ILE  65           HB       ILE  65  17.294 -11.916  -4.315
  482   HG12  ILE  65          HG12      ILE  65  14.593 -12.551  -3.118
  483   HG13  ILE  65          HG13      ILE  65  15.081 -11.030  -3.867
  484   HG21  ILE  65          HG21      ILE  65  18.077 -14.067  -3.328
  485   HG22  ILE  65          HG22      ILE  65  16.392 -14.462  -2.911
  486   HG23  ILE  65          HG23      ILE  65  16.869 -14.282  -4.595
  487   HD11  ILE  65          HD11      ILE  65  15.467 -12.235  -6.027
  488   HD12  ILE  65          HD12      ILE  65  14.780 -13.706  -5.282
  489   HD13  ILE  65          HD13      ILE  65  13.783 -12.263  -5.474
  490    H    GLU  66           H        GLU  66  18.589 -13.310  -0.884
  491    HA   GLU  66           HA       GLU  66  16.662 -14.980   0.339
  492    HB2  GLU  66           HB2      GLU  66  19.502 -14.558   1.363
  493    HB3  GLU  66           HB3      GLU  66  18.534 -16.039   1.404
  494    HG2  GLU  66           HG2      GLU  66  18.682 -16.077  -1.133
  495    HG3  GLU  66           HG3      GLU  66  19.781 -14.691  -1.011
  496    H    ASN  67           H        ASN  67  18.159 -12.004   1.208
  497    HA   ASN  67           HA       ASN  67  17.818 -11.956   4.040
  498    HB2  ASN  67           HB2      ASN  67  19.207 -10.379   2.502
  499    HB3  ASN  67           HB3      ASN  67  17.694  -9.531   2.208
  500   HD21  ASN  67          HD22      ASN  67  20.058 -10.492   4.700
  501   HD22  ASN  67          HD21      ASN  67  19.595  -9.290   5.880
  502    H    PHE  68           H        PHE  68  15.524 -11.660   1.452
  503    HA   PHE  68           HA       PHE  68  13.453 -10.315   3.111
  504    HB2  PHE  68           HB2      PHE  68  13.628 -10.733   0.092
  505    HB3  PHE  68           HB3      PHE  68  12.391  -9.817   0.941
  506    HD1  PHE  68           HD1      PHE  68  15.933  -9.886  -0.024
  507    HD2  PHE  68           HD2      PHE  68  12.790  -7.611   1.793
  508    HE1  PHE  68           HE1      PHE  68  17.391  -7.858  -0.098
  509    HE2  PHE  68           HE2      PHE  68  14.218  -5.550   1.703
  510    HZ   PHE  68           HZ       PHE  68  16.522  -5.682   0.768
  511    H    ASN  69           H        ASN  69  11.181 -11.120   1.941
  512    HA   ASN  69           HA       ASN  69  11.268 -13.953   1.491
  513    HB2  ASN  69           HB2      ASN  69  10.584 -13.552   3.966
  514    HB3  ASN  69           HB3      ASN  69   9.163 -12.709   3.308
  515   HD21  ASN  69          HD22      ASN  69   8.836 -14.880   5.068
  516   HD22  ASN  69          HD21      ASN  69   8.169 -16.226   4.176
  517    H    ALA  70           H        ALA  70   9.442 -14.591   0.054
  518    HA   ALA  70           HA       ALA  70   8.762 -12.302  -1.547
  519    HB1  ALA  70           HB1      ALA  70   9.546 -14.533  -2.554
  520    HB2  ALA  70           HB2      ALA  70   8.015 -15.225  -1.985
  521    HB3  ALA  70           HB3      ALA  70   8.013 -13.924  -3.196
  522    H    ASP  71           H        ASP  71   7.441 -14.423   0.883
  523    HA   ASP  71           HA       ASP  71   4.741 -14.063   0.312
  524    HB2  ASP  71           HB2      ASP  71   5.569 -15.767   1.873
  525    HB3  ASP  71           HB3      ASP  71   6.121 -14.507   2.988
  526    H    ASP  72           H        ASP  72   7.073 -11.832   1.693
  527    HA   ASP  72           HA       ASP  72   5.163 -10.078   2.952
  528    HB2  ASP  72           HB2      ASP  72   7.557 -10.337   3.673
  529    HB3  ASP  72           HB3      ASP  72   8.039  -9.578   2.144
  530    H    TYR  73           H        TYR  73   6.541 -10.534  -0.195
  531    HA   TYR  73           HA       TYR  73   6.062  -7.865  -1.171
  532    HB2  TYR  73           HB2      TYR  73   7.347 -10.365  -2.247
  533    HB3  TYR  73           HB3      TYR  73   6.792  -9.169  -3.392
  534    HD1  TYR  73           HD2      TYR  73   8.769  -9.286  -0.168
  535    HD2  TYR  73           HD1      TYR  73   8.300  -7.541  -4.091
  536    HE1  TYR  73           HE2      TYR  73  10.844  -8.001   0.168
  537    HE2  TYR  73           HE1      TYR  73  10.388  -6.251  -3.757
  538    HH   TYR  73           HH       TYR  73  12.282  -6.039  -2.465
  539    H    ASP  74           H        ASP  74   5.018  -7.721  -3.454
  540    HA   ASP  74           HA       ASP  74   2.465  -9.296  -3.505
  541    HB2  ASP  74           HB2      ASP  74   2.043  -6.998  -2.781
  542    HB3  ASP  74           HB3      ASP  74   2.889  -6.381  -4.202
  543    H    VAL  75           H        VAL  75   5.025  -7.604  -5.442
  544    HA   VAL  75           HA       VAL  75   4.190  -9.245  -7.759
  545    HB   VAL  75           HB       VAL  75   3.093  -7.281  -8.201
  546   HG11  VAL  75          HG11      VAL  75   3.570  -5.845  -6.395
  547   HG12  VAL  75          HG12      VAL  75   5.200  -5.563  -6.997
  548   HG13  VAL  75          HG13      VAL  75   3.803  -4.973  -7.904
  549   HG21  VAL  75          HG21      VAL  75   5.823  -6.718  -9.419
  550   HG22  VAL  75          HG22      VAL  75   4.612  -7.815 -10.080
  551   HG23  VAL  75          HG23      VAL  75   4.267  -6.075  -9.975
  552    H    VAL  76           H        VAL  76   5.770  -9.971  -9.084
  553    HA   VAL  76           HA       VAL  76   8.545  -9.069  -8.664
  554    HB   VAL  76           HB       VAL  76   7.474 -11.861  -8.212
  555   HG11  VAL  76          HG11      VAL  76   9.612 -12.010  -9.415
  556   HG12  VAL  76          HG12      VAL  76  10.391 -10.923  -8.240
  557   HG13  VAL  76          HG13      VAL  76   9.821 -12.515  -7.745
  558   HG21  VAL  76          HG21      VAL  76   8.296 -11.792  -5.961
  559   HG22  VAL  76          HG22      VAL  76   9.043 -10.188  -6.176
  560   HG23  VAL  76          HG23      VAL  76   7.281 -10.399  -6.157
  561    H    ILE  77           H        ILE  77   9.461  -8.963 -10.639
  562    HA   ILE  77           HA       ILE  77   8.218 -10.427 -12.917
  563    HB   ILE  77           HB       ILE  77  10.147  -8.117 -13.025
  564   HG12  ILE  77          HG12      ILE  77   8.361  -7.112 -11.823
  565   HG13  ILE  77          HG13      ILE  77   8.292  -6.561 -13.479
  566   HG21  ILE  77          HG21      ILE  77   9.791  -9.581 -15.054
  567   HG22  ILE  77          HG22      ILE  77   8.132  -8.958 -15.133
  568   HG23  ILE  77          HG23      ILE  77   9.530  -7.863 -15.283
  569   HD11  ILE  77          HD11      ILE  77   6.312  -7.679 -13.935
  570   HD12  ILE  77          HD12      ILE  77   6.473  -8.785 -12.535
  571   HD13  ILE  77          HD13      ILE  77   6.091  -7.080 -12.293
  572    H    SER  78           H        SER  78   9.456 -11.998 -13.869
  573    HA   SER  78           HA       SER  78  12.297 -12.268 -13.067
  574    HB2  SER  78           HB2      SER  78  10.347 -14.196 -14.393
  575    HB3  SER  78           HB3      SER  78  12.085 -14.496 -14.222
  576    HG   SER  78           HG       SER  78  11.299 -15.422 -12.447
  577    H    LEU  79           H        LEU  79  13.312 -10.815 -14.451
  578    HA   LEU  79           HA       LEU  79  12.038  -9.965 -16.873
  579    HB2  LEU  79           HB2      LEU  79  14.780  -9.474 -15.679
  580    HB3  LEU  79           HB3      LEU  79  14.386  -8.849 -17.270
  581    HG   LEU  79           HG       LEU  79  12.625  -8.193 -14.880
  582   HD11  LEU  79          HD11      LEU  79  13.975  -6.089 -14.786
  583   HD12  LEU  79          HD12      LEU  79  14.987  -7.509 -14.469
  584   HD13  LEU  79          HD13      LEU  79  15.000  -6.700 -16.071
  585   HD21  LEU  79          HD21      LEU  79  13.055  -6.800 -17.548
  586   HD22  LEU  79          HD22      LEU  79  11.647  -7.819 -17.163
  587   HD23  LEU  79          HD23      LEU  79  11.921  -6.319 -16.270
  588    H    CYS  80           H        CYS  80  13.535 -12.879 -16.522
  589    HA   CYS  80           HA       CYS  80  13.373 -13.324 -19.306
  590    HB2  CYS  80           HB2      CYS  80  15.804 -14.675 -18.698
  591    HB3  CYS  80           HB3      CYS  80  15.476 -13.526 -19.961
  592    H    GLY  81           H        GLY  81  12.993 -15.585 -19.631
  593    HA2  GLY  81           HA2      GLY  81  12.339 -17.713 -19.086
  594    HA3  GLY  81           HA3      GLY  81  13.621 -17.667 -17.876
  595    H    SER  82           H        SER  82  12.578 -18.685 -16.200
  596    HA   SER  82           HA       SER  82  10.390 -17.165 -14.886
  597    HB2  SER  82           HB2      SER  82  10.364 -20.197 -15.109
  598    HB3  SER  82           HB3      SER  82   9.177 -19.160 -14.301
  599    HG   SER  82           HG       SER  82   8.534 -19.846 -16.437
  600    H    GLY  83           H        GLY  83  12.144 -20.227 -14.081
  601    HA2  GLY  83           HA2      GLY  83  12.762 -19.231 -11.429
  602    HA3  GLY  83           HA3      GLY  83  13.241 -20.779 -12.137
  603    H    VAL  84           H        VAL  84  14.695 -19.857 -14.397
  604    HA   VAL  84           HA       VAL  84  16.832 -19.521 -14.898
  605    HB   VAL  84           HB       VAL  84  17.666 -17.185 -14.668
  606   HG11  VAL  84          HG11      VAL  84  16.092 -16.367 -16.337
  607   HG12  VAL  84          HG12      VAL  84  16.415 -18.079 -16.615
  608   HG13  VAL  84          HG13      VAL  84  14.887 -17.574 -15.846
  609   HG21  VAL  84          HG21      VAL  84  16.049 -15.410 -14.113
  610   HG22  VAL  84          HG22      VAL  84  14.876 -16.598 -13.561
  611   HG23  VAL  84          HG23      VAL  84  16.383 -16.365 -12.661
  612    H    ASN  85           H        ASN  85  17.422 -17.647 -11.920
  613    HA   ASN  85           HA       ASN  85  18.678 -19.938 -10.661
  614    HB2  ASN  85           HB2      ASN  85  20.572 -18.985 -12.040
  615    HB3  ASN  85           HB3      ASN  85  20.404 -17.470 -11.147
  616   HD21  ASN  85          HD22      ASN  85  22.740 -17.863 -10.413
  617   HD22  ASN  85          HD21      ASN  85  23.000 -19.013  -9.121
  618    H    LEU  86           H        LEU  86  16.352 -18.730 -10.059
  619    HA   LEU  86           HA       LEU  86  16.819 -17.026  -7.681
  620    HB2  LEU  86           HB2      LEU  86  16.343 -15.499  -9.374
  621    HB3  LEU  86           HB3      LEU  86  15.204 -16.529 -10.174
  622    HG   LEU  86           HG       LEU  86  14.406 -15.693  -7.416
  623   HD11  LEU  86          HD11      LEU  86  13.618 -13.478  -8.203
  624   HD12  LEU  86          HD12      LEU  86  15.377 -13.576  -8.299
  625   HD13  LEU  86          HD13      LEU  86  14.411 -13.750  -9.777
  626   HD21  LEU  86          HD21      LEU  86  12.869 -17.006  -8.815
  627   HD22  LEU  86          HD22      LEU  86  12.221 -15.357  -8.709
  628   HD23  LEU  86          HD23      LEU  86  13.055 -15.876 -10.169
  629    HA   PRO  87           HA       PRO  87  14.360 -20.164  -5.997
  630    HB2  PRO  87           HB2      PRO  87  13.376 -18.312  -3.852
  631    HB3  PRO  87           HB3      PRO  87  14.192 -19.893  -3.696
  632    HG2  PRO  87           HG2      PRO  87  15.565 -17.578  -3.287
  633    HG3  PRO  87           HG3      PRO  87  16.315 -18.956  -4.164
  634    HD2  PRO  87           HD2      PRO  87  15.033 -16.465  -5.318
  635    HD3  PRO  87           HD3      PRO  87  16.584 -17.251  -5.725
  636    HA   PRO  88           HA       PRO  88  10.435 -19.905  -7.746
  637    HB2  PRO  88           HB2      PRO  88   8.961 -21.943  -6.630
  638    HB3  PRO  88           HB3      PRO  88  10.372 -22.212  -7.700
  639    HG2  PRO  88           HG2      PRO  88  10.321 -22.184  -4.658
  640    HG3  PRO  88           HG3      PRO  88  11.040 -23.422  -5.736
  641    HD2  PRO  88           HD2      PRO  88  12.565 -21.468  -4.644
  642    HD3  PRO  88           HD3      PRO  88  12.833 -21.985  -6.339
  643    H    GLU  89           H        GLU  89  10.163 -19.539  -4.152
  644    HA   GLU  89           HA       GLU  89   7.413 -18.828  -4.278
  645    HB2  GLU  89           HB2      GLU  89   7.785 -17.703  -2.119
  646    HB3  GLU  89           HB3      GLU  89   8.402 -19.343  -2.146
  647    HG2  GLU  89           HG2      GLU  89  10.355 -17.129  -2.784
  648    HG3  GLU  89           HG3      GLU  89   9.760 -17.248  -1.135
  649    H    TRP  90           H        TRP  90  10.140 -17.168  -5.509
  650    HA   TRP  90           HA       TRP  90   8.962 -14.505  -5.442
  651    HB2  TRP  90           HB2      TRP  90  11.358 -15.765  -6.775
  652    HB3  TRP  90           HB3      TRP  90  10.990 -14.070  -6.936
  653    HD1  TRP  90           HD1      TRP  90  12.763 -16.409  -4.674
  654    HE1  TRP  90           HE1      TRP  90  13.381 -15.321  -2.430
  655    HE3  TRP  90           HE3      TRP  90  10.221 -12.076  -5.217
  656    HZ2  TRP  90           HZ2      TRP  90  12.653 -12.891  -0.969
  657    HZ3  TRP  90           HZ3      TRP  90  10.013 -10.455  -3.361
  658    HH2  TRP  90           HH2      TRP  90  11.229 -10.832  -1.252
  659    H    VAL  91           H        VAL  91   9.299 -17.168  -7.802
  660    HA   VAL  91           HA       VAL  91   8.080 -15.625  -9.898
  661    HB   VAL  91           HB       VAL  91   8.458 -17.361 -11.310
  662   HG11  VAL  91          HG11      VAL  91  10.638 -17.834  -9.247
  663   HG12  VAL  91          HG12      VAL  91  10.711 -18.157 -10.980
  664   HG13  VAL  91          HG13      VAL  91  10.576 -16.485 -10.416
  665   HG21  VAL  91          HG21      VAL  91   8.857 -19.706 -10.841
  666   HG22  VAL  91          HG22      VAL  91   8.653 -19.436  -9.108
  667   HG23  VAL  91          HG23      VAL  91   7.283 -19.225 -10.211
  668    H    THR  92           H        THR  92   6.734 -17.293  -7.207
  669    HA   THR  92           HA       THR  92   4.171 -17.517  -8.624
  670    HB   THR  92           HB       THR  92   3.602 -18.983  -6.697
  671    HG1  THR  92           HG1      THR  92   5.046 -19.327  -5.085
  672   HG21  THR  92          HG21      THR  92   6.333 -19.660  -7.871
  673   HG22  THR  92          HG22      THR  92   5.141 -20.803  -7.214
  674   HG23  THR  92          HG23      THR  92   4.782 -19.896  -8.703
  675    H    GLN  93           H        GLN  93   5.286 -14.848  -7.526
  676    HA   GLN  93           HA       GLN  93   3.361 -14.252  -5.500
  677    HB2  GLN  93           HB2      GLN  93   5.214 -12.454  -7.130
  678    HB3  GLN  93           HB3      GLN  93   4.086 -11.811  -5.952
  679    HG2  GLN  93           HG2      GLN  93   6.356 -13.759  -5.399
  680    HG3  GLN  93           HG3      GLN  93   6.206 -12.101  -4.821
  681   HE21  GLN  93          HE22      GLN  93   6.060 -15.172  -3.677
  682   HE22  GLN  93          HE21      GLN  93   4.858 -14.957  -2.410
  683    H    GLU  94           H        GLU  94   1.890 -12.159  -5.873
  684    HA   GLU  94           HA       GLU  94  -0.329 -13.347  -7.065
  685    HB2  GLU  94           HB2      GLU  94   0.131 -10.403  -6.398
  686    HB3  GLU  94           HB3      GLU  94  -1.437 -11.128  -6.735
  687    HG2  GLU  94           HG2      GLU  94   0.379 -11.849  -4.394
  688    HG3  GLU  94           HG3      GLU  94  -1.069 -10.855  -4.325
  689    H    ILE  95           H        ILE  95   1.995 -11.174  -8.552
  690    HA   ILE  95           HA       ILE  95   0.794 -11.830 -11.160
  691    HB   ILE  95           HB       ILE  95   0.049  -9.639 -11.050
  692   HG12  ILE  95          HG12      ILE  95   2.755  -9.282 -12.384
  693   HG13  ILE  95          HG13      ILE  95   1.484 -10.297 -13.074
  694   HG21  ILE  95          HG21      ILE  95   1.586  -7.689 -10.392
  695   HG22  ILE  95          HG22      ILE  95   1.052  -8.741  -9.080
  696   HG23  ILE  95          HG23      ILE  95   2.679  -8.912  -9.755
  697   HD11  ILE  95          HD11      ILE  95   1.167  -7.317 -12.514
  698   HD12  ILE  95          HD12      ILE  95   1.529  -8.024 -14.083
  699   HD13  ILE  95          HD13      ILE  95  -0.022  -8.377 -13.289
  700    H    PHE  96           H        PHE  96   2.210 -13.099 -12.040
  701    HA   PHE  96           HA       PHE  96   5.128 -12.756 -11.579
  702    HB2  PHE  96           HB2      PHE  96   4.691 -14.925 -11.075
  703    HB3  PHE  96           HB3      PHE  96   3.455 -15.131 -12.317
  704    HD1  PHE  96           HD1      PHE  96   7.149 -14.668 -11.828
  705    HD2  PHE  96           HD2      PHE  96   4.009 -15.956 -14.491
  706    HE1  PHE  96           HE1      PHE  96   8.840 -15.583 -13.400
  707    HE2  PHE  96           HE2      PHE  96   5.707 -16.826 -16.070
  708    HZ   PHE  96           HZ       PHE  96   8.125 -16.630 -15.537
  709    H    GLU  97           H        GLU  97   6.285 -12.055 -13.435
  710    HA   GLU  97           HA       GLU  97   5.032 -12.052 -16.087
  711    HB2  GLU  97           HB2      GLU  97   5.925  -9.607 -14.602
  712    HB3  GLU  97           HB3      GLU  97   5.856  -9.613 -16.350
  713    HG2  GLU  97           HG2      GLU  97   3.425 -10.121 -14.602
  714    HG3  GLU  97           HG3      GLU  97   3.927  -8.534 -15.147
  715    H    ASP  98           H        ASP  98   6.654 -11.162 -17.644
  716    HA   ASP  98           HA       ASP  98   9.380 -11.660 -17.425
  717    HB2  ASP  98           HB2      ASP  98   9.038 -14.017 -17.074
  718    HB3  ASP  98           HB3      ASP  98   7.648 -14.045 -18.157
  719    H    TRP  99           H        TRP  99  10.238 -10.807 -19.260
  720    HA   TRP  99           HA       TRP  99   8.441 -10.336 -21.578
  721    HB2  TRP  99           HB2      TRP  99   9.829  -8.229 -19.879
  722    HB3  TRP  99           HB3      TRP  99   9.138  -7.899 -21.468
  723    HD1  TRP  99           HD1      TRP  99   6.327  -9.245 -21.289
  724    HE1  TRP  99           HE1      TRP  99   4.552  -8.541 -19.571
  725    HE3  TRP  99           HE3      TRP  99   9.343  -6.894 -17.910
  726    HZ2  TRP  99           HZ2      TRP  99   4.416  -6.965 -17.173
  727    HZ3  TRP  99           HZ3      TRP  99   8.371  -5.983 -15.837
  728    HH2  TRP  99           HH2      TRP  99   5.929  -5.978 -15.470
  729    H    GLN 100           H        GLN 100   9.445  -9.913 -23.512
  730    HA   GLN 100           HA       GLN 100  12.281 -10.563 -23.792
  731    HB2  GLN 100           HB2      GLN 100  10.463  -9.348 -25.917
  732    HB3  GLN 100           HB3      GLN 100  11.978 -10.199 -26.123
  733    HG2  GLN 100           HG2      GLN 100  10.427 -11.773 -26.792
  734    HG3  GLN 100           HG3      GLN 100  10.797 -12.281 -25.151
  735   HE21  GLN 100          HE22      GLN 100   8.574 -13.417 -25.894
  736   HE22  GLN 100          HE21      GLN 100   7.123 -12.569 -25.393
  737    H    LEU 101           H        LEU 101  13.724  -9.068 -23.114
  738    HA   LEU 101           HA       LEU 101  13.512  -6.239 -23.867
  739    HB2  LEU 101           HB2      LEU 101  13.710  -7.299 -20.985
  740    HB3  LEU 101           HB3      LEU 101  14.310  -5.713 -21.426
  741    HG   LEU 101           HG       LEU 101  11.415  -6.564 -21.739
  742   HD11  LEU 101          HD11      LEU 101  11.777  -6.567 -19.482
  743   HD12  LEU 101          HD12      LEU 101  12.857  -5.170 -19.511
  744   HD13  LEU 101          HD13      LEU 101  11.103  -4.966 -19.789
  745   HD21  LEU 101          HD21      LEU 101  11.695  -4.949 -23.355
  746   HD22  LEU 101          HD22      LEU 101  11.156  -4.002 -21.967
  747   HD23  LEU 101          HD23      LEU 101  12.884  -4.044 -22.420
  748    H    GLU 102           H        GLU 102  15.607  -5.760 -24.661
  749    HA   GLU 102           HA       GLU 102  17.585  -7.837 -24.457
  750    HB2  GLU 102           HB2      GLU 102  17.778  -5.064 -25.693
  751    HB3  GLU 102           HB3      GLU 102  19.007  -6.314 -25.820
  752    HG2  GLU 102           HG2      GLU 102  16.186  -6.409 -26.948
  753    HG3  GLU 102           HG3      GLU 102  17.685  -6.189 -27.844
  754    H    ASP 103           H        ASP 103  19.804  -7.485 -23.628
  755    HA   ASP 103           HA       ASP 103  19.979  -5.588 -21.391
  756    HB2  ASP 103           HB2      ASP 103  20.407  -7.887 -20.725
  757    HB3  ASP 103           HB3      ASP 103  21.564  -8.097 -22.038
  758    HA   PRO 104           HA       PRO 104  22.259  -3.630 -24.782
  759    HB2  PRO 104           HB2      PRO 104  22.576  -1.189 -23.794
  760    HB3  PRO 104           HB3      PRO 104  20.979  -1.810 -24.295
  761    HG2  PRO 104           HG2      PRO 104  22.131  -1.769 -21.473
  762    HG3  PRO 104           HG3      PRO 104  20.538  -1.135 -22.007
  763    HD2  PRO 104           HD2      PRO 104  20.813  -3.619 -20.961
  764    HD3  PRO 104           HD3      PRO 104  19.690  -3.320 -22.319
  765    H    ASP 105           H        ASP 105  23.571  -4.721 -21.835
  766    HA   ASP 105           HA       ASP 105  26.086  -3.575 -21.570
  767    HB2  ASP 105           HB2      ASP 105  25.371  -5.318 -20.088
  768    HB3  ASP 105           HB3      ASP 105  25.229  -6.475 -21.413
  769    H    GLY 106           H        GLY 106  27.865  -3.432 -22.851
  770    HA2  GLY 106           HA2      GLY 106  29.498  -3.956 -24.330
  771    HA3  GLY 106           HA3      GLY 106  28.822  -5.588 -24.394
  772    H    GLN 107           H        GLN 107  26.540  -3.161 -25.373
  773    HA   GLN 107           HA       GLN 107  27.373  -3.302 -28.205
  774    HB2  GLN 107           HB2      GLN 107  25.141  -3.883 -28.975
  775    HB3  GLN 107           HB3      GLN 107  25.867  -5.154 -27.992
  776    HG2  GLN 107           HG2      GLN 107  24.499  -4.379 -26.048
  777    HG3  GLN 107           HG3      GLN 107  23.737  -3.188 -27.118
  778   HE21  GLN 107          HE22      GLN 107  22.684  -5.816 -25.612
  779   HE22  GLN 107          HE21      GLN 107  21.919  -6.691 -26.909
  780    H    SER 108           H        SER 108  25.427  -1.904 -29.417
  781    HA   SER 108           HA       SER 108  26.395   0.595 -28.837
  782    HB2  SER 108           HB2      SER 108  24.026   0.010 -30.639
  783    HB3  SER 108           HB3      SER 108  25.224   1.302 -30.820
  784    HG   SER 108           HG       SER 108  25.676  -0.464 -32.221
  785    H    LEU 109           H        LEU 109  25.421   2.646 -28.567
  786    HA   LEU 109           HA       LEU 109  23.652   2.956 -26.348
  787    HB2  LEU 109           HB2      LEU 109  24.331   4.963 -28.528
  788    HB3  LEU 109           HB3      LEU 109  23.555   5.320 -26.986
  789    HG   LEU 109           HG       LEU 109  26.416   4.401 -27.427
  790   HD11  LEU 109          HD11      LEU 109  26.964   6.578 -26.434
  791   HD12  LEU 109          HD12      LEU 109  25.928   6.786 -27.854
  792   HD13  LEU 109          HD13      LEU 109  25.234   6.936 -26.225
  793   HD21  LEU 109          HD21      LEU 109  25.708   3.279 -25.389
  794   HD22  LEU 109          HD22      LEU 109  26.704   4.669 -24.954
  795   HD23  LEU 109          HD23      LEU 109  24.940   4.767 -24.784
  796    H    GLU 110           H        GLU 110  23.007   2.729 -29.833
  797    HA   GLU 110           HA       GLU 110  20.307   3.509 -29.806
  798    HB2  GLU 110           HB2      GLU 110  21.664   3.041 -31.821
  799    HB3  GLU 110           HB3      GLU 110  21.672   1.315 -31.427
  800    HG2  GLU 110           HG2      GLU 110  19.229   1.211 -31.708
  801    HG3  GLU 110           HG3      GLU 110  19.155   2.963 -31.959
  802    H    VAL 111           H        VAL 111  21.801   0.442 -28.744
  803    HA   VAL 111           HA       VAL 111  19.238  -0.848 -28.385
  804    HB   VAL 111           HB       VAL 111  21.827  -1.812 -27.198
  805   HG11  VAL 111          HG11      VAL 111  19.294  -3.228 -28.155
  806   HG12  VAL 111          HG12      VAL 111  20.728  -4.033 -27.503
  807   HG13  VAL 111          HG13      VAL 111  19.779  -2.972 -26.461
  808   HG21  VAL 111          HG21      VAL 111  22.132  -3.169 -29.291
  809   HG22  VAL 111          HG22      VAL 111  20.816  -2.256 -30.049
  810   HG23  VAL 111          HG23      VAL 111  22.336  -1.452 -29.582
  811    H    PHE 112           H        PHE 112  21.675   0.689 -26.146
  812    HA   PHE 112           HA       PHE 112  20.176   0.421 -23.744
  813    HB2  PHE 112           HB2      PHE 112  21.880   2.749 -24.741
  814    HB3  PHE 112           HB3      PHE 112  21.108   2.696 -23.169
  815    HD1  PHE 112           HD1      PHE 112  21.861   1.241 -21.373
  816    HD2  PHE 112           HD2      PHE 112  23.903   1.276 -25.172
  817    HE1  PHE 112           HE1      PHE 112  23.763  -0.020 -20.388
  818    HE2  PHE 112           HE2      PHE 112  25.822   0.122 -24.156
  819    HZ   PHE 112           HZ       PHE 112  25.763  -0.546 -21.761
  820    H    ARG 113           H        ARG 113  19.845   2.971 -26.276
  821    HA   ARG 113           HA       ARG 113  17.718   4.294 -24.842
  822    HB2  ARG 113           HB2      ARG 113  18.785   4.495 -27.684
  823    HB3  ARG 113           HB3      ARG 113  17.519   5.562 -27.053
  824    HG2  ARG 113           HG2      ARG 113  18.953   6.456 -25.343
  825    HG3  ARG 113           HG3      ARG 113  20.212   5.246 -25.636
  826    HD2  ARG 113           HD2      ARG 113  20.636   6.135 -27.847
  827    HD3  ARG 113           HD3      ARG 113  19.360   7.357 -27.643
  828    HE   ARG 113           HE       ARG 113  20.876   7.917 -25.495
  829   HH11  ARG 113          HH11      ARG 113  21.857   7.395 -28.904
  830   HH12  ARG 113          HH12      ARG 113  23.235   8.423 -28.796
  831   HH21  ARG 113          HH21      ARG 113  22.587   9.355 -25.423
  832   HH22  ARG 113          HH22      ARG 113  23.698   9.552 -26.748
  833    H    THR 114           H        THR 114  17.685   1.820 -27.480
  834    HA   THR 114           HA       THR 114  14.887   1.772 -27.878
  835    HB   THR 114           HB       THR 114  17.210  -0.163 -28.111
  836    HG1  THR 114           HG1      THR 114  17.202   1.266 -29.715
  837   HG21  THR 114          HG21      THR 114  15.745  -1.709 -29.349
  838   HG22  THR 114          HG22      THR 114  15.458  -1.635 -27.603
  839   HG23  THR 114          HG23      THR 114  14.327  -0.808 -28.703
  840    H    VAL 115           H        VAL 115  17.022  -0.052 -25.567
  841    HA   VAL 115           HA       VAL 115  14.854  -1.465 -24.425
  842    HB   VAL 115           HB       VAL 115  17.683  -0.894 -23.463
  843   HG11  VAL 115          HG11      VAL 115  15.692  -2.880 -22.266
  844   HG12  VAL 115          HG12      VAL 115  17.407  -2.739 -21.847
  845   HG13  VAL 115          HG13      VAL 115  16.311  -1.416 -21.455
  846   HG21  VAL 115          HG21      VAL 115  17.362  -2.322 -25.545
  847   HG22  VAL 115          HG22      VAL 115  18.072  -3.206 -24.190
  848   HG23  VAL 115          HG23      VAL 115  16.344  -3.403 -24.593
  849    H    ARG 116           H        ARG 116  16.380   1.639 -23.537
  850    HA   ARG 116           HA       ARG 116  14.898   2.116 -21.201
  851    HB2  ARG 116           HB2      ARG 116  16.858   3.383 -22.017
  852    HB3  ARG 116           HB3      ARG 116  15.895   4.116 -23.300
  853    HG2  ARG 116           HG2      ARG 116  14.614   5.397 -21.741
  854    HG3  ARG 116           HG3      ARG 116  15.162   4.416 -20.383
  855    HD2  ARG 116           HD2      ARG 116  16.288   6.555 -20.334
  856    HD3  ARG 116           HD3      ARG 116  17.408   5.235 -20.529
  857    HE   ARG 116           HE       ARG 116  18.209   6.278 -22.356
  858   HH11  ARG 116          HH11      ARG 116  14.790   7.333 -22.252
  859   HH12  ARG 116          HH12      ARG 116  15.046   8.626 -23.356
  860   HH21  ARG 116          HH21      ARG 116  18.542   8.131 -23.703
  861   HH22  ARG 116          HH22      ARG 116  17.159   8.996 -24.272
  862    H    GLY 117           H        GLY 117  13.940   2.847 -24.622
  863    HA2  GLY 117           HA2      GLY 117  11.334   3.857 -23.994
  864    HA3  GLY 117           HA3      GLY 117  11.851   3.161 -25.536
  865    H    GLN 118           H        GLN 118  12.399   0.547 -24.972
  866    HA   GLN 118           HA       GLN 118   9.867  -0.666 -25.027
  867    HB2  GLN 118           HB2      GLN 118  12.622  -1.789 -24.398
  868    HB3  GLN 118           HB3      GLN 118  11.216  -2.815 -24.577
  869    HG2  GLN 118           HG2      GLN 118  12.160  -0.934 -26.776
  870    HG3  GLN 118           HG3      GLN 118  12.746  -2.582 -26.589
  871   HE21  GLN 118          HE22      GLN 118  11.650  -2.155 -28.995
  872   HE22  GLN 118          HE21      GLN 118  10.034  -2.811 -29.107
  873    H    VAL 119           H        VAL 119  12.220  -0.511 -22.389
  874    HA   VAL 119           HA       VAL 119  10.676  -2.059 -20.536
  875    HB   VAL 119           HB       VAL 119  12.983  -0.109 -20.135
  876   HG11  VAL 119          HG11      VAL 119  13.306  -1.225 -17.973
  877   HG12  VAL 119          HG12      VAL 119  11.756  -0.374 -17.995
  878   HG13  VAL 119          HG13      VAL 119  11.781  -2.136 -18.201
  879   HG21  VAL 119          HG21      VAL 119  14.287  -2.240 -19.898
  880   HG22  VAL 119          HG22      VAL 119  12.798  -3.155 -20.231
  881   HG23  VAL 119          HG23      VAL 119  13.512  -2.153 -21.478
  882    H    LYS 120           H        LYS 120  10.870   1.529 -21.046
  883    HA   LYS 120           HA       LYS 120   9.315   2.276 -18.829
  884    HB2  LYS 120           HB2      LYS 120  10.454   3.793 -20.530
  885    HB3  LYS 120           HB3      LYS 120   9.158   3.391 -21.682
  886    HG2  LYS 120           HG2      LYS 120   7.493   4.410 -20.211
  887    HG3  LYS 120           HG3      LYS 120   8.731   4.745 -18.980
  888    HD2  LYS 120           HD2      LYS 120   9.909   6.244 -20.475
  889    HD3  LYS 120           HD3      LYS 120   8.842   5.862 -21.826
  890    HE2  LYS 120           HE2      LYS 120   7.856   7.123 -19.226
  891    HE3  LYS 120           HE3      LYS 120   8.443   8.076 -20.592
  892    HZ1  LYS 120           HZ1      LYS 120   6.057   7.873 -20.686
  893    HZ2  LYS 120           HZ2      LYS 120   6.690   7.094 -21.969
  894    HZ3  LYS 120           HZ3      LYS 120   6.088   6.239 -20.700
  895    H    GLU 121           H        GLU 121   8.270   1.193 -22.097
  896    HA   GLU 121           HA       GLU 121   5.508   1.464 -21.581
  897    HB2  GLU 121           HB2      GLU 121   6.546   1.479 -23.771
  898    HB3  GLU 121           HB3      GLU 121   7.024  -0.214 -23.614
  899    HG2  GLU 121           HG2      GLU 121   4.699  -0.937 -23.517
  900    HG3  GLU 121           HG3      GLU 121   4.129   0.737 -23.520
  901    H    ARG 122           H        ARG 122   7.639  -1.461 -21.296
  902    HA   ARG 122           HA       ARG 122   5.575  -3.275 -20.484
  903    HB2  ARG 122           HB2      ARG 122   8.467  -3.206 -19.478
  904    HB3  ARG 122           HB3      ARG 122   7.360  -4.553 -19.304
  905    HG2  ARG 122           HG2      ARG 122   8.498  -3.527 -21.933
  906    HG3  ARG 122           HG3      ARG 122   9.036  -4.931 -21.018
  907    HD2  ARG 122           HD2      ARG 122   6.764  -5.946 -21.348
  908    HD3  ARG 122           HD3      ARG 122   6.389  -4.605 -22.462
  909    HE   ARG 122           HE       ARG 122   8.805  -5.517 -23.381
  910   HH11  ARG 122          HH11      ARG 122   5.598  -7.012 -23.047
  911   HH12  ARG 122          HH12      ARG 122   5.944  -8.311 -24.129
  912   HH21  ARG 122          HH21      ARG 122   9.321  -7.312 -24.700
  913   HH22  ARG 122          HH22      ARG 122   8.111  -8.511 -25.059
  914    H    VAL 123           H        VAL 123   7.612  -1.105 -18.488
  915    HA   VAL 123           HA       VAL 123   6.447  -1.971 -15.998
  916    HB   VAL 123           HB       VAL 123   8.016   0.484 -16.709
  917   HG11  VAL 123          HG11      VAL 123   8.590   0.580 -14.330
  918   HG12  VAL 123          HG12      VAL 123   6.850   0.794 -14.563
  919   HG13  VAL 123          HG13      VAL 123   7.469  -0.764 -13.984
  920   HG21  VAL 123          HG21      VAL 123   9.966  -0.694 -15.816
  921   HG22  VAL 123          HG22      VAL 123   8.971  -2.109 -15.414
  922   HG23  VAL 123          HG23      VAL 123   9.271  -1.683 -17.103
  923    H    GLU 124           H        GLU 124   5.631   0.784 -18.258
  924    HA   GLU 124           HA       GLU 124   3.593   1.866 -16.606
  925    HB2  GLU 124           HB2      GLU 124   3.971   1.789 -19.630
  926    HB3  GLU 124           HB3      GLU 124   2.500   2.437 -18.904
  927    HG2  GLU 124           HG2      GLU 124   3.896   4.031 -17.561
  928    HG3  GLU 124           HG3      GLU 124   5.313   3.478 -18.452
  929    H    ASN 125           H        ASN 125   3.487  -0.782 -18.984
  930    HA   ASN 125           HA       ASN 125   0.698  -1.249 -18.780
  931    HB2  ASN 125           HB2      ASN 125   2.083  -2.183 -20.605
  932    HB3  ASN 125           HB3      ASN 125   2.929  -3.219 -19.452
  933   HD21  ASN 125          HD22      ASN 125  -0.290  -2.604 -20.944
  934   HD22  ASN 125          HD21      ASN 125  -0.926  -4.189 -20.598
  935    H    LEU 126           H        LEU 126   3.422  -2.741 -16.945
  936    HA   LEU 126           HA       LEU 126   1.949  -4.489 -15.334
  937    HB2  LEU 126           HB2      LEU 126   4.358  -4.522 -15.455
  938    HB3  LEU 126           HB3      LEU 126   4.485  -2.856 -14.901
  939    HG   LEU 126           HG       LEU 126   3.614  -3.481 -12.684
  940   HD11  LEU 126          HD11      LEU 126   2.326  -5.503 -13.289
  941   HD12  LEU 126          HD12      LEU 126   3.820  -6.339 -13.763
  942   HD13  LEU 126          HD13      LEU 126   3.531  -5.907 -12.066
  943   HD21  LEU 126          HD21      LEU 126   6.084  -5.012 -13.524
  944   HD22  LEU 126          HD22      LEU 126   5.980  -3.295 -13.091
  945   HD23  LEU 126          HD23      LEU 126   5.634  -4.539 -11.871
  946    H    ILE 127           H        ILE 127   2.776  -1.011 -14.763
  947    HA   ILE 127           HA       ILE 127   1.545  -0.868 -12.147
  948    HB   ILE 127           HB       ILE 127   2.431   1.116 -14.285
  949   HG12  ILE 127          HG12      ILE 127   3.517   0.554 -11.496
  950   HG13  ILE 127          HG13      ILE 127   4.074  -0.364 -12.892
  951   HG21  ILE 127          HG21      ILE 127   2.166   2.914 -12.585
  952   HG22  ILE 127          HG22      ILE 127   0.628   2.208 -13.061
  953   HG23  ILE 127          HG23      ILE 127   1.359   1.747 -11.505
  954   HD11  ILE 127          HD11      ILE 127   4.360   2.615 -12.484
  955   HD12  ILE 127          HD12      ILE 127   5.644   1.391 -12.464
  956   HD13  ILE 127          HD13      ILE 127   4.772   1.753 -13.982
  957    H    ALA 128           H        ALA 128   0.443  -0.006 -15.497
  958    HA   ALA 128           HA       ALA 128  -2.141   0.823 -14.793
  959    HB1  ALA 128           HB1      ALA 128  -1.093   1.151 -17.010
  960    HB2  ALA 128           HB2      ALA 128  -1.253  -0.593 -17.341
  961    HB3  ALA 128           HB3      ALA 128  -2.704   0.410 -17.138
  962    H    LYS 129           H        LYS 129  -0.895  -2.533 -15.123
  963    HA   LYS 129           HA       LYS 129  -3.494  -3.741 -14.929
  964    HB2  LYS 129           HB2      LYS 129  -0.722  -4.848 -14.339
  965    HB3  LYS 129           HB3      LYS 129  -2.196  -5.771 -14.106
  966    HG2  LYS 129           HG2      LYS 129  -2.752  -5.559 -16.497
  967    HG3  LYS 129           HG3      LYS 129  -1.267  -4.635 -16.774
  968    HD2  LYS 129           HD2      LYS 129   0.096  -6.547 -15.976
  969    HD3  LYS 129           HD3      LYS 129  -1.391  -7.474 -15.660
  970    HE2  LYS 129           HE2      LYS 129  -1.973  -7.216 -18.120
  971    HE3  LYS 129           HE3      LYS 129  -0.390  -6.473 -18.363
  972    HZ1  LYS 129           HZ1      LYS 129  -0.861  -9.247 -17.427
  973    HZ2  LYS 129           HZ2      LYS 129  -0.296  -8.803 -18.895
  974    HZ3  LYS 129           HZ3      LYS 129   0.631  -8.564 -17.565
  975    H    ILE 130           H        ILE 130  -0.889  -3.292 -12.466
  976    HA   ILE 130           HA       ILE 130  -2.651  -4.315 -10.499
  977    HB   ILE 130           HB       ILE 130  -0.848  -4.209  -8.986
  978   HG12  ILE 130          HG12      ILE 130   0.592  -2.529 -11.059
  979   HG13  ILE 130          HG13      ILE 130   0.210  -2.104  -9.395
  980   HG21  ILE 130          HG21      ILE 130  -1.045  -5.999 -10.754
  981   HG22  ILE 130          HG22      ILE 130   0.224  -5.141 -11.670
  982   HG23  ILE 130          HG23      ILE 130   0.550  -5.788 -10.044
  983   HD11  ILE 130          HD11      ILE 130   1.787  -3.884  -8.600
  984   HD12  ILE 130          HD12      ILE 130   2.228  -4.175 -10.317
  985   HD13  ILE 130          HD13      ILE 130   2.552  -2.614  -9.569
  986    H    SER 131           H        SER 131  -1.535  -0.987 -11.063
  987    HA   SER 131           HA       SER 131  -2.540  -0.115  -8.521
  988    HB2  SER 131           HB2      SER 131  -1.211   1.365 -10.803
  989    HB3  SER 131           HB3      SER 131  -1.561   2.027  -9.189
  990    HG   SER 131           HG       SER 131   0.592   1.202  -9.265
  Start of MODEL    5
    1    H    MET   1           H        MET   1   2.695  -1.021   1.525
    2    HA   MET   1           HA       MET   1   1.311  -0.189  -0.945
    3    HB2  MET   1           HB2      MET   1   2.994   1.273  -1.494
    4    HB3  MET   1           HB3      MET   1   2.857   1.530   0.226
    5    HG2  MET   1           HG2      MET   1   4.850  -0.139   0.431
    6    HG3  MET   1           HG3      MET   1   5.038   0.095  -1.314
    7    HE1  MET   1           HE1      MET   1   5.931   2.313  -2.460
    8    HE2  MET   1           HE2      MET   1   4.483   3.162  -1.861
    9    HE3  MET   1           HE3      MET   1   6.101   3.854  -1.602
   10    H    LYS   2           H        LYS   2   2.291  -1.034  -2.992
   11    HA   LYS   2           HA       LYS   2   2.634  -3.920  -2.608
   12    HB2  LYS   2           HB2      LYS   2   2.861  -2.605  -5.313
   13    HB3  LYS   2           HB3      LYS   2   2.273  -4.184  -4.903
   14    HG2  LYS   2           HG2      LYS   2   0.242  -3.232  -3.864
   15    HG3  LYS   2           HG3      LYS   2   0.837  -1.593  -4.170
   16    HD2  LYS   2           HD2      LYS   2   0.941  -2.285  -6.660
   17    HD3  LYS   2           HD3      LYS   2  -0.128  -3.615  -6.203
   18    HE2  LYS   2           HE2      LYS   2  -0.639  -0.644  -5.590
   19    HE3  LYS   2           HE3      LYS   2  -1.191  -1.431  -7.062
   20    HZ1  LYS   2           HZ1      LYS   2  -2.947  -1.390  -5.404
   21    HZ2  LYS   2           HZ2      LYS   2  -2.550  -2.938  -5.710
   22    HZ3  LYS   2           HZ3      LYS   2  -2.052  -2.214  -4.317
   23    H    LYS   3           H        LYS   3   4.611  -4.936  -2.313
   24    HA   LYS   3           HA       LYS   3   7.040  -3.355  -2.972
   25    HB2  LYS   3           HB2      LYS   3   6.923  -6.038  -1.590
   26    HB3  LYS   3           HB3      LYS   3   8.295  -4.930  -1.758
   27    HG2  LYS   3           HG2      LYS   3   7.070  -3.231  -0.418
   28    HG3  LYS   3           HG3      LYS   3   5.759  -4.399  -0.170
   29    HD2  LYS   3           HD2      LYS   3   7.335  -5.959   0.927
   30    HD3  LYS   3           HD3      LYS   3   8.665  -4.794   0.689
   31    HE2  LYS   3           HE2      LYS   3   7.441  -3.093   1.994
   32    HE3  LYS   3           HE3      LYS   3   6.079  -4.212   2.198
   33    HZ1  LYS   3           HZ1      LYS   3   7.617  -5.730   3.386
   34    HZ2  LYS   3           HZ2      LYS   3   8.810  -4.603   3.305
   35    HZ3  LYS   3           HZ3      LYS   3   7.452  -4.289   4.164
   36    H    VAL   4           H        VAL   4   8.431  -3.865  -4.532
   37    HA   VAL   4           HA       VAL   4   7.501  -5.762  -6.593
   38    HB   VAL   4           HB       VAL   4   9.048  -3.291  -7.229
   39   HG11  VAL   4          HG11      VAL   4   8.489  -4.915  -9.037
   40   HG12  VAL   4          HG12      VAL   4   6.758  -4.676  -8.681
   41   HG13  VAL   4          HG13      VAL   4   7.723  -3.346  -9.305
   42   HG21  VAL   4          HG21      VAL   4   7.136  -1.888  -7.525
   43   HG22  VAL   4          HG22      VAL   4   6.045  -3.127  -6.836
   44   HG23  VAL   4          HG23      VAL   4   7.271  -2.311  -5.836
   45    H    MET   5           H        MET   5   9.126  -6.820  -7.713
   46    HA   MET   5           HA       MET   5  11.963  -6.177  -7.199
   47    HB2  MET   5           HB2      MET   5  10.911  -9.030  -7.243
   48    HB3  MET   5           HB3      MET   5  12.599  -8.526  -7.148
   49    HG2  MET   5           HG2      MET   5  11.882  -7.316  -4.951
   50    HG3  MET   5           HG3      MET   5  10.464  -8.359  -5.016
   51    HE1  MET   5           HE1      MET   5  13.038  -9.804  -2.276
   52    HE2  MET   5           HE2      MET   5  12.878  -8.099  -2.768
   53    HE3  MET   5           HE3      MET   5  11.430  -9.097  -2.506
   54    H    PHE   6           H        PHE   6  13.311  -6.565  -9.021
   55    HA   PHE   6           HA       PHE   6  12.141  -7.763 -11.413
   56    HB2  PHE   6           HB2      PHE   6  13.628  -5.109 -11.546
   57    HB3  PHE   6           HB3      PHE   6  13.006  -6.054 -12.877
   58    HD1  PHE   6           HD1      PHE   6  11.985  -3.990  -9.957
   59    HD2  PHE   6           HD2      PHE   6  10.832  -5.632 -13.775
   60    HE1  PHE   6           HE1      PHE   6   9.945  -2.599  -9.939
   61    HE2  PHE   6           HE2      PHE   6   8.812  -4.206 -13.772
   62    HZ   PHE   6           HZ       PHE   6   8.345  -2.705 -11.843
   63    H    VAL   7           H        VAL   7  13.741  -9.183 -12.196
   64    HA   VAL   7           HA       VAL   7  16.562  -8.647 -11.593
   65    HB   VAL   7           HB       VAL   7  15.892  -9.349  -9.450
   66   HG11  VAL   7          HG11      VAL   7  14.273 -11.611 -10.677
   67   HG12  VAL   7          HG12      VAL   7  14.610 -11.421  -8.946
   68   HG13  VAL   7          HG13      VAL   7  13.660 -10.195  -9.776
   69   HG21  VAL   7          HG21      VAL   7  17.920 -10.501 -10.246
   70   HG22  VAL   7          HG22      VAL   7  17.028 -11.421  -9.026
   71   HG23  VAL   7          HG23      VAL   7  16.923 -11.900 -10.725
   72    H    CYS   8           H        CYS   8  17.949  -9.837 -12.762
   73    HA   CYS   8           HA       CYS   8  17.138 -12.281 -14.170
   74    HB2  CYS   8           HB2      CYS   8  16.951 -10.500 -15.858
   75    HB3  CYS   8           HB3      CYS   8  18.558  -9.912 -15.471
   76    H    LYS   9           H        LYS   9  19.514 -13.173 -15.019
   77    HA   LYS   9           HA       LYS   9  20.699 -13.978 -12.621
   78    HB2  LYS   9           HB2      LYS   9  20.590 -15.234 -14.755
   79    HB3  LYS   9           HB3      LYS   9  21.838 -14.187 -15.448
   80    HG2  LYS   9           HG2      LYS   9  23.512 -15.061 -13.938
   81    HG3  LYS   9           HG3      LYS   9  22.286 -15.803 -12.908
   82    HD2  LYS   9           HD2      LYS   9  23.381 -17.541 -14.188
   83    HD3  LYS   9           HD3      LYS   9  21.699 -17.401 -14.669
   84    HE2  LYS   9           HE2      LYS   9  22.894 -17.745 -16.665
   85    HE3  LYS   9           HE3      LYS   9  22.435 -16.048 -16.691
   86    HZ1  LYS   9           HZ1      LYS   9  25.120 -17.109 -15.959
   87    HZ2  LYS   9           HZ2      LYS   9  24.738 -16.393 -17.368
   88    HZ3  LYS   9           HZ3      LYS   9  24.736 -15.513 -15.994
   89    H    ARG  10           H        ARG  10  21.568 -11.095 -14.440
   90    HA   ARG  10           HA       ARG  10  23.445 -10.484 -12.266
   91    HB2  ARG  10           HB2      ARG  10  24.165 -10.315 -15.243
   92    HB3  ARG  10           HB3      ARG  10  24.999  -9.354 -14.028
   93    HG2  ARG  10           HG2      ARG  10  24.941 -12.400 -14.098
   94    HG3  ARG  10           HG3      ARG  10  26.259 -11.374 -14.655
   95    HD2  ARG  10           HD2      ARG  10  26.565 -10.454 -12.398
   96    HD3  ARG  10           HD3      ARG  10  25.241 -11.428 -11.772
   97    HE   ARG  10           HE       ARG  10  27.957 -12.275 -12.430
   98   HH11  ARG  10          HH11      ARG  10  24.641 -13.529 -11.845
   99   HH12  ARG  10          HH12      ARG  10  25.224 -14.973 -11.063
  100   HH21  ARG  10          HH21      ARG  10  28.645 -14.176 -11.303
  101   HH22  ARG  10          HH22      ARG  10  27.466 -15.214 -10.558
  102    H    ASN  11           H        ASN  11  23.676  -8.172 -11.976
  103    HA   ASN  11           HA       ASN  11  21.233  -6.688 -12.601
  104    HB2  ASN  11           HB2      ASN  11  22.534  -6.399 -10.516
  105    HB3  ASN  11           HB3      ASN  11  23.886  -5.784 -11.486
  106   HD21  ASN  11          HD22      ASN  11  23.591  -4.004  -9.921
  107   HD22  ASN  11          HD21      ASN  11  22.526  -2.689 -10.391
  108    H    SER  12           H        SER  12  24.607  -6.835 -13.781
  109    HA   SER  12           HA       SER  12  24.729  -4.571 -15.340
  110    HB2  SER  12           HB2      SER  12  26.086  -7.148 -16.149
  111    HB3  SER  12           HB3      SER  12  26.730  -5.500 -16.158
  112    HG   SER  12           HG       SER  12  26.671  -5.593 -13.821
  113    H    SER  13           H        SER  13  23.032  -7.578 -16.121
  114    HA   SER  13           HA       SER  13  22.488  -6.574 -18.863
  115    HB2  SER  13           HB2      SER  13  23.231  -9.443 -18.181
  116    HB3  SER  13           HB3      SER  13  22.939  -8.752 -19.784
  117    HG   SER  13           HG       SER  13  25.192  -8.949 -19.311
  118    H    ARG  14           H        ARG  14  20.388  -6.456 -19.127
  119    HA   ARG  14           HA       ARG  14  18.220  -6.795 -19.148
  120    HB2  ARG  14           HB2      ARG  14  19.058  -8.923 -20.173
  121    HB3  ARG  14           HB3      ARG  14  18.737  -9.734 -18.640
  122    HG2  ARG  14           HG2      ARG  14  16.398  -9.417 -18.845
  123    HG3  ARG  14           HG3      ARG  14  16.585  -8.262 -20.188
  124    HD2  ARG  14           HD2      ARG  14  17.232  -9.918 -21.707
  125    HD3  ARG  14           HD3      ARG  14  17.803 -11.024 -20.436
  126    HE   ARG  14           HE       ARG  14  15.110 -10.715 -19.939
  127   HH11  ARG  14          HH22      ARG  14  17.094 -12.153 -22.521
  128   HH12  ARG  14          HH21      ARG  14  15.941 -13.370 -22.924
  129   HH21  ARG  14          HH11      ARG  14  13.515 -12.171 -20.583
  130   HH22  ARG  14          HH12      ARG  14  13.868 -13.452 -21.714
  131    H    SER  15           H        SER  15  19.378  -5.929 -16.772
  132    HA   SER  15           HA       SER  15  17.021  -6.211 -15.044
  133    HB2  SER  15           HB2      SER  15  19.818  -6.127 -13.922
  134    HB3  SER  15           HB3      SER  15  18.315  -6.184 -13.013
  135    HG   SER  15           HG       SER  15  19.690  -8.238 -14.305
  136    H    GLN  16           H        GLN  16  19.116  -4.203 -13.562
  137    HA   GLN  16           HA       GLN  16  19.594  -2.155 -13.412
  138    HB2  GLN  16           HB2      GLN  16  20.795  -1.032 -15.029
  139    HB3  GLN  16           HB3      GLN  16  21.234  -2.718 -14.919
  140    HG2  GLN  16           HG2      GLN  16  19.794  -3.021 -17.089
  141    HG3  GLN  16           HG3      GLN  16  19.896  -1.253 -17.203
  142   HE21  GLN  16          HE22      GLN  16  21.246  -3.665 -18.824
  143   HE22  GLN  16          HE21      GLN  16  22.948  -3.440 -18.552
  144    H    MET  17           H        MET  17  17.360  -2.137 -16.306
  145    HA   MET  17           HA       MET  17  16.506   0.438 -15.233
  146    HB2  MET  17           HB2      MET  17  17.551   0.076 -17.631
  147    HB3  MET  17           HB3      MET  17  15.890  -0.353 -18.075
  148    HG2  MET  17           HG2      MET  17  16.235   2.067 -18.381
  149    HG3  MET  17           HG3      MET  17  15.119   1.819 -17.051
  150    HE1  MET  17           HE1      MET  17  16.860   4.700 -15.296
  151    HE2  MET  17           HE2      MET  17  16.122   4.592 -16.907
  152    HE3  MET  17           HE3      MET  17  15.316   3.778 -15.516
  153    H    ALA  18           H        ALA  18  15.142  -2.664 -15.639
  154    HA   ALA  18           HA       ALA  18  12.395  -1.700 -15.873
  155    HB1  ALA  18           HB1      ALA  18  13.118  -4.089 -16.342
  156    HB2  ALA  18           HB2      ALA  18  13.275  -4.270 -14.569
  157    HB3  ALA  18           HB3      ALA  18  11.694  -3.904 -15.299
  158    H    GLU  19           H        GLU  19  14.477  -2.588 -13.147
  159    HA   GLU  19           HA       GLU  19  12.759  -1.536 -11.087
  160    HB2  GLU  19           HB2      GLU  19  14.816  -1.657  -9.713
  161    HB3  GLU  19           HB3      GLU  19  14.414  -3.176 -10.488
  162    HG2  GLU  19           HG2      GLU  19  16.451  -1.320 -11.731
  163    HG3  GLU  19           HG3      GLU  19  16.880  -2.301 -10.353
  164    H    GLY  20           H        GLY  20  15.355  -0.153 -13.096
  165    HA2  GLY  20           HA2      GLY  20  15.694   2.305 -11.808
  166    HA3  GLY  20           HA3      GLY  20  15.966   2.010 -13.533
  167    H    PHE  21           H        PHE  21  13.444   1.624 -14.610
  168    HA   PHE  21           HA       PHE  21  12.117   4.155 -14.263
  169    HB2  PHE  21           HB2      PHE  21  11.397   1.591 -15.717
  170    HB3  PHE  21           HB3      PHE  21  10.245   2.910 -15.580
  171    HD1  PHE  21           HD2      PHE  21  11.258   5.366 -15.991
  172    HD2  PHE  21           HD1      PHE  21  12.736   1.642 -17.615
  173    HE1  PHE  21           HE2      PHE  21  12.227   6.581 -17.960
  174    HE2  PHE  21           HE1      PHE  21  13.739   2.843 -19.518
  175    HZ   PHE  21           HZ       PHE  21  13.445   5.325 -19.733
  176    H    ALA  22           H        ALA  22  11.492   0.962 -12.723
  177    HA   ALA  22           HA       ALA  22   8.819   1.618 -12.111
  178    HB1  ALA  22           HB1      ALA  22   8.977  -0.224 -10.438
  179    HB2  ALA  22           HB2      ALA  22   9.694  -0.648 -12.018
  180    HB3  ALA  22           HB3      ALA  22  10.751  -0.251 -10.666
  181    H    LYS  23           H        LYS  23  11.800   2.411 -10.260
  182    HA   LYS  23           HA       LYS  23  10.429   3.624  -8.054
  183    HB2  LYS  23           HB2      LYS  23  12.563   4.982  -7.783
  184    HB3  LYS  23           HB3      LYS  23  12.824   3.235  -7.872
  185    HG2  LYS  23           HG2      LYS  23  13.618   3.335 -10.091
  186    HG3  LYS  23           HG3      LYS  23  12.972   4.953 -10.361
  187    HD2  LYS  23           HD2      LYS  23  15.242   5.204 -10.370
  188    HD3  LYS  23           HD3      LYS  23  14.710   5.867  -8.819
  189    HE2  LYS  23           HE2      LYS  23  15.374   3.715  -7.704
  190    HE3  LYS  23           HE3      LYS  23  15.911   3.073  -9.257
  191    HZ1  LYS  23           HZ1      LYS  23  17.757   4.006  -7.940
  192    HZ2  LYS  23           HZ2      LYS  23  17.618   4.851  -9.339
  193    HZ3  LYS  23           HZ3      LYS  23  17.069   5.482  -7.919
  194    H    THR  24           H        THR  24  10.856   4.805 -11.374
  195    HA   THR  24           HA       THR  24  10.212   7.547 -10.731
  196    HB   THR  24           HB       THR  24  11.081   5.986 -13.119
  197    HG1  THR  24           HG1      THR  24  12.616   6.879 -11.696
  198   HG21  THR  24          HG21      THR  24   9.388   7.306 -14.112
  199   HG22  THR  24          HG22      THR  24   9.887   8.765 -13.209
  200   HG23  THR  24          HG23      THR  24  10.946   8.068 -14.462
  201    H    LEU  25           H        LEU  25   8.739   4.916 -12.619
  202    HA   LEU  25           HA       LEU  25   6.311   6.380 -13.154
  203    HB2  LEU  25           HB2      LEU  25   7.000   3.417 -13.349
  204    HB3  LEU  25           HB3      LEU  25   5.549   4.150 -14.049
  205    HG   LEU  25           HG       LEU  25   8.410   4.859 -14.828
  206   HD11  LEU  25          HD11      LEU  25   7.907   3.486 -16.873
  207   HD12  LEU  25          HD12      LEU  25   8.016   2.565 -15.374
  208   HD13  LEU  25          HD13      LEU  25   6.427   2.916 -16.062
  209   HD21  LEU  25          HD21      LEU  25   6.858   6.684 -15.365
  210   HD22  LEU  25          HD22      LEU  25   7.335   5.852 -16.846
  211   HD23  LEU  25          HD23      LEU  25   5.736   5.544 -16.134
  212    H    GLY  26           H        GLY  26   7.287   3.968 -10.711
  213    HA2  GLY  26           HA2      GLY  26   4.557   3.732  -9.635
  214    HA3  GLY  26           HA3      GLY  26   5.988   2.753  -9.262
  215    H    ALA  27           H        ALA  27   6.784   6.070  -9.222
  216    HA   ALA  27           HA       ALA  27   7.726   6.150  -6.660
  217    HB1  ALA  27           HB1      ALA  27   6.584   8.491  -8.265
  218    HB2  ALA  27           HB2      ALA  27   7.725   8.608  -6.910
  219    HB3  ALA  27           HB3      ALA  27   8.227   7.840  -8.426
  220    H    GLY  28           H        GLY  28   6.824   6.103  -4.688
  221    HA2  GLY  28           HA2      GLY  28   5.445   6.598  -2.924
  222    HA3  GLY  28           HA3      GLY  28   4.459   7.611  -3.985
  223    H    LYS  29           H        LYS  29   4.345   4.875  -5.733
  224    HA   LYS  29           HA       LYS  29   1.866   3.921  -4.375
  225    HB2  LYS  29           HB2      LYS  29   2.873   3.353  -7.190
  226    HB3  LYS  29           HB3      LYS  29   1.306   2.879  -6.506
  227    HG2  LYS  29           HG2      LYS  29   0.713   5.276  -6.228
  228    HG3  LYS  29           HG3      LYS  29   2.262   5.742  -6.959
  229    HD2  LYS  29           HD2      LYS  29   1.623   4.446  -9.026
  230    HD3  LYS  29           HD3      LYS  29   0.025   4.174  -8.327
  231    HE2  LYS  29           HE2      LYS  29   1.277   6.912  -8.829
  232    HE3  LYS  29           HE3      LYS  29   0.193   6.094  -9.962
  233    HZ1  LYS  29           HZ1      LYS  29  -1.021   7.677  -8.628
  234    HZ2  LYS  29           HZ2      LYS  29  -1.554   6.186  -8.257
  235    HZ3  LYS  29           HZ3      LYS  29  -0.561   6.994  -7.225
  236    H    ILE  30           H        ILE  30   4.976   2.700  -5.711
  237    HA   ILE  30           HA       ILE  30   4.565   0.193  -4.181
  238    HB   ILE  30           HB       ILE  30   5.028  -1.158  -6.129
  239   HG12  ILE  30          HG12      ILE  30   4.969   1.423  -7.754
  240   HG13  ILE  30          HG13      ILE  30   6.402   0.428  -7.462
  241   HG21  ILE  30          HG21      ILE  30   2.656  -0.420  -5.528
  242   HG22  ILE  30          HG22      ILE  30   2.750   0.711  -6.896
  243   HG23  ILE  30          HG23      ILE  30   2.895  -1.031  -7.174
  244   HD11  ILE  30          HD11      ILE  30   3.966  -0.276  -9.163
  245   HD12  ILE  30          HD12      ILE  30   5.670  -0.113  -9.651
  246   HD13  ILE  30          HD13      ILE  30   5.166  -1.484  -8.655
  247    H    ALA  31           H        ALA  31   6.488  -0.988  -3.734
  248    HA   ALA  31           HA       ALA  31   8.860   0.831  -3.491
  249    HB1  ALA  31           HB1      ALA  31   9.404  -0.557  -1.497
  250    HB2  ALA  31           HB2      ALA  31   7.829   0.252  -1.332
  251    HB3  ALA  31           HB3      ALA  31   7.923  -1.488  -1.724
  252    H    VAL  32           H        VAL  32  10.348   0.253  -5.103
  253    HA   VAL  32           HA       VAL  32  10.645  -2.562  -5.949
  254    HB   VAL  32           HB       VAL  32  12.459  -0.196  -6.556
  255   HG11  VAL  32          HG11      VAL  32  13.328  -2.361  -7.292
  256   HG12  VAL  32          HG12      VAL  32  11.765  -2.770  -8.035
  257   HG13  VAL  32          HG13      VAL  32  12.768  -1.457  -8.698
  258   HG21  VAL  32          HG21      VAL  32  10.182   0.581  -7.145
  259   HG22  VAL  32          HG22      VAL  32  11.151   0.272  -8.564
  260   HG23  VAL  32          HG23      VAL  32   9.904  -0.917  -8.066
  261    H    THR  33           H        THR  33  12.049  -3.988  -5.275
  262    HA   THR  33           HA       THR  33  14.462  -3.163  -3.830
  263    HB   THR  33           HB       THR  33  12.812  -5.604  -3.229
  264    HG1  THR  33           HG1      THR  33  12.598  -3.077  -1.936
  265   HG21  THR  33          HG21      THR  33  14.127  -5.739  -1.169
  266   HG22  THR  33          HG22      THR  33  15.259  -5.471  -2.499
  267   HG23  THR  33          HG23      THR  33  14.815  -4.121  -1.443
  268    H    SER  34           H        SER  34  16.030  -3.829  -5.240
  269    HA   SER  34           HA       SER  34  15.279  -5.734  -7.268
  270    HB2  SER  34           HB2      SER  34  17.873  -4.177  -7.028
  271    HB3  SER  34           HB3      SER  34  17.166  -4.874  -8.504
  272    HG   SER  34           HG       SER  34  16.823  -2.483  -7.970
  273    H    SER  35           H        SER  35  15.410  -7.157  -4.947
  274    HA   SER  35           HA       SER  35  17.917  -8.354  -4.374
  275    HB2  SER  35           HB2      SER  35  15.206  -9.598  -3.909
  276    HB3  SER  35           HB3      SER  35  16.681  -9.766  -2.937
  277    HG   SER  35           HG       SER  35  15.330  -8.273  -1.907
  278    H    GLY  36           H        GLY  36  18.290 -10.862  -4.562
  279    HA2  GLY  36           HA2      GLY  36  17.465 -12.308  -6.819
  280    HA3  GLY  36           HA3      GLY  36  18.944 -11.351  -7.171
  281    H    LEU  37           H        LEU  37  19.556 -13.915  -7.152
  282    HA   LEU  37           HA       LEU  37  20.440 -14.607  -4.440
  283    HB2  LEU  37           HB2      LEU  37  19.868 -16.159  -6.932
  284    HB3  LEU  37           HB3      LEU  37  20.777 -16.898  -5.598
  285    HG   LEU  37           HG       LEU  37  18.150 -15.477  -5.074
  286   HD11  LEU  37          HD11      LEU  37  16.862 -17.505  -5.400
  287   HD12  LEU  37          HD12      LEU  37  17.759 -17.180  -6.892
  288   HD13  LEU  37          HD13      LEU  37  18.331 -18.446  -5.795
  289   HD21  LEU  37          HD21      LEU  37  19.611 -17.789  -3.691
  290   HD22  LEU  37          HD22      LEU  37  19.464 -16.125  -3.095
  291   HD23  LEU  37          HD23      LEU  37  18.031 -17.171  -3.196
  292    H    GLU  38           H        GLU  38  21.511 -13.309  -7.317
  293    HA   GLU  38           HA       GLU  38  24.217 -13.065  -6.359
  294    HB2  GLU  38           HB2      GLU  38  23.511 -14.169  -9.122
  295    HB3  GLU  38           HB3      GLU  38  25.008 -13.287  -8.792
  296    HG2  GLU  38           HG2      GLU  38  25.614 -14.885  -7.055
  297    HG3  GLU  38           HG3      GLU  38  24.170 -15.854  -7.415
  298    H    SER  39           H        SER  39  25.116 -11.085  -7.323
  299    HA   SER  39           HA       SER  39  23.698  -9.588  -9.270
  300    HB2  SER  39           HB2      SER  39  23.223  -9.087  -6.330
  301    HB3  SER  39           HB3      SER  39  23.393  -7.640  -7.365
  302    HG   SER  39           HG       SER  39  21.637  -9.801  -7.929
  303    H    SER  40           H        SER  40  24.483  -7.308  -9.343
  304    HA   SER  40           HA       SER  40  27.353  -7.047  -8.903
  305    HB2  SER  40           HB2      SER  40  27.685  -7.110 -11.370
  306    HB3  SER  40           HB3      SER  40  27.076  -8.664 -10.710
  307    HG   SER  40           HG       SER  40  26.140  -7.710 -12.716
  308    H    ARG  41           H        ARG  41  27.776  -4.966 -10.642
  309    HA   ARG  41           HA       ARG  41  25.642  -3.016  -9.952
  310    HB2  ARG  41           HB2      ARG  41  28.420  -2.836  -9.772
  311    HB3  ARG  41           HB3      ARG  41  28.077  -1.977 -11.282
  312    HG2  ARG  41           HG2      ARG  41  26.567  -0.447 -10.128
  313    HG3  ARG  41           HG3      ARG  41  26.668  -1.401  -8.635
  314    HD2  ARG  41           HD2      ARG  41  29.031  -0.878  -8.392
  315    HD3  ARG  41           HD3      ARG  41  29.035   0.005  -9.940
  316    HE   ARG  41           HE       ARG  41  27.028   1.166  -8.370
  317   HH11  ARG  41          HH11      ARG  41  30.577   0.838  -8.230
  318   HH12  ARG  41          HH12      ARG  41  30.816   2.282  -7.316
  319   HH21  ARG  41          HH21      ARG  41  27.359   3.082  -7.123
  320   HH22  ARG  41          HH22      ARG  41  28.947   3.587  -6.679
  321    H    VAL  42           H        VAL  42  25.314  -1.338 -11.728
  322    HA   VAL  42           HA       VAL  42  24.082  -2.782 -13.898
  323    HB   VAL  42           HB       VAL  42  23.241  -0.638 -14.519
  324   HG11  VAL  42          HG11      VAL  42  23.149  -0.760 -11.493
  325   HG12  VAL  42          HG12      VAL  42  21.970  -0.050 -12.600
  326   HG13  VAL  42          HG13      VAL  42  22.198  -1.795 -12.612
  327   HG21  VAL  42          HG21      VAL  42  23.811   1.445 -13.258
  328   HG22  VAL  42          HG22      VAL  42  25.166   0.573 -12.496
  329   HG23  VAL  42          HG23      VAL  42  25.139   0.842 -14.250
  330    H    HIS  43           H        HIS  43  24.443  -1.789 -16.252
  331    HA   HIS  43           HA       HIS  43  27.281  -2.046 -16.942
  332    HB2  HIS  43           HB2      HIS  43  25.587  -2.973 -18.416
  333    HB3  HIS  43           HB3      HIS  43  24.797  -1.403 -18.580
  334    HD1  HIS  43           HD1      HIS  43  27.823  -3.335 -19.938
  335    HD2  HIS  43           HD2      HIS  43  25.878   0.366 -20.245
  336    HE1  HIS  43           HE1      HIS  43  29.079  -2.014 -21.713
  337    HA   PRO  44           HA       PRO  44  28.255   2.188 -16.096
  338    HB2  PRO  44           HB2      PRO  44  30.218   2.760 -18.011
  339    HB3  PRO  44           HB3      PRO  44  30.487   1.890 -16.467
  340    HG2  PRO  44           HG2      PRO  44  29.988   0.719 -19.226
  341    HG3  PRO  44           HG3      PRO  44  31.221   0.232 -18.012
  342    HD2  PRO  44           HD2      PRO  44  28.958  -1.170 -18.242
  343    HD3  PRO  44           HD3      PRO  44  29.556  -0.764 -16.612
  344    H    THR  45           H        THR  45  28.095   1.773 -19.735
  345    HA   THR  45           HA       THR  45  27.338   4.449 -20.158
  346    HB   THR  45           HB       THR  45  26.797   2.066 -21.875
  347    HG1  THR  45           HG1      THR  45  28.859   2.246 -22.553
  348   HG21  THR  45          HG21      THR  45  25.670   4.010 -22.815
  349   HG22  THR  45          HG22      THR  45  27.134   5.002 -22.611
  350   HG23  THR  45          HG23      THR  45  27.103   3.664 -23.783
  351    H    ALA  46           H        ALA  46  25.426   1.884 -18.803
  352    HA   ALA  46           HA       ALA  46  22.819   2.783 -19.635
  353    HB1  ALA  46           HB1      ALA  46  23.452   0.538 -18.387
  354    HB2  ALA  46           HB2      ALA  46  23.443   1.534 -16.901
  355    HB3  ALA  46           HB3      ALA  46  21.981   1.383 -17.886
  356    H    ILE  47           H        ILE  47  24.970   3.526 -16.877
  357    HA   ILE  47           HA       ILE  47  23.066   5.137 -15.515
  358    HB   ILE  47           HB       ILE  47  26.136   5.335 -15.624
  359   HG12  ILE  47          HG12      ILE  47  24.539   3.900 -13.482
  360   HG13  ILE  47          HG13      ILE  47  25.103   3.073 -14.922
  361   HG21  ILE  47          HG21      ILE  47  24.221   6.397 -13.482
  362   HG22  ILE  47          HG22      ILE  47  26.001   6.442 -13.390
  363   HG23  ILE  47          HG23      ILE  47  25.164   7.379 -14.617
  364   HD11  ILE  47          HD11      ILE  47  26.646   2.727 -13.068
  365   HD12  ILE  47          HD12      ILE  47  27.429   3.569 -14.424
  366   HD13  ILE  47          HD13      ILE  47  26.963   4.462 -12.970
  367    H    ALA  48           H        ALA  48  25.466   5.985 -18.052
  368    HA   ALA  48           HA       ALA  48  24.893   8.755 -17.970
  369    HB1  ALA  48           HB1      ALA  48  26.040   8.848 -20.174
  370    HB2  ALA  48           HB2      ALA  48  26.946   7.861 -19.013
  371    HB3  ALA  48           HB3      ALA  48  25.983   7.075 -20.287
  372    H    MET  49           H        MET  49  23.564   6.193 -20.192
  373    HA   MET  49           HA       MET  49  21.907   8.089 -21.605
  374    HB2  MET  49           HB2      MET  49  21.688   5.048 -21.331
  375    HB3  MET  49           HB3      MET  49  20.775   6.029 -22.482
  376    HG2  MET  49           HG2      MET  49  23.808   5.749 -22.396
  377    HG3  MET  49           HG3      MET  49  22.731   4.980 -23.540
  378    HE1  MET  49           HE1      MET  49  24.673   8.088 -22.554
  379    HE2  MET  49           HE2      MET  49  25.350   7.018 -23.809
  380    HE3  MET  49           HE3      MET  49  24.923   8.700 -24.209
  381    H    MET  50           H        MET  50  21.438   6.157 -18.696
  382    HA   MET  50           HA       MET  50  18.571   6.579 -18.697
  383    HB2  MET  50           HB2      MET  50  20.358   5.343 -16.592
  384    HB3  MET  50           HB3      MET  50  18.601   5.355 -16.593
  385    HG2  MET  50           HG2      MET  50  20.369   3.995 -18.699
  386    HG3  MET  50           HG3      MET  50  19.516   3.194 -17.419
  387    HE1  MET  50           HE1      MET  50  17.661   1.671 -20.403
  388    HE2  MET  50           HE2      MET  50  19.400   2.016 -20.399
  389    HE3  MET  50           HE3      MET  50  18.601   1.411 -18.931
  390    H    GLU  51           H        GLU  51  21.474   8.125 -17.294
  391    HA   GLU  51           HA       GLU  51  19.965   9.962 -15.728
  392    HB2  GLU  51           HB2      GLU  51  22.314   9.501 -15.270
  393    HB3  GLU  51           HB3      GLU  51  22.782  10.164 -16.848
  394    HG2  GLU  51           HG2      GLU  51  22.043  12.385 -16.168
  395    HG3  GLU  51           HG3      GLU  51  21.356  11.739 -14.670
  396    H    GLU  52           H        GLU  52  20.657   9.672 -19.170
  397    HA   GLU  52           HA       GLU  52  19.933  12.392 -19.738
  398    HB2  GLU  52           HB2      GLU  52  19.964  10.012 -21.618
  399    HB3  GLU  52           HB3      GLU  52  19.470  11.617 -22.094
  400    HG2  GLU  52           HG2      GLU  52  22.193  11.028 -20.886
  401    HG3  GLU  52           HG3      GLU  52  21.858  10.994 -22.610
  402    H    VAL  53           H        VAL  53  18.110   9.424 -19.151
  403    HA   VAL  53           HA       VAL  53  15.610  10.974 -19.593
  404    HB   VAL  53           HB       VAL  53  15.830   8.625 -20.408
  405   HG11  VAL  53          HG11      VAL  53  15.097   6.814 -18.840
  406   HG12  VAL  53          HG12      VAL  53  16.701   7.438 -18.515
  407   HG13  VAL  53          HG13      VAL  53  15.349   7.923 -17.484
  408   HG21  VAL  53          HG21      VAL  53  13.718   9.875 -20.356
  409   HG22  VAL  53          HG22      VAL  53  13.486   8.137 -20.109
  410   HG23  VAL  53          HG23      VAL  53  13.384   9.243 -18.726
  411    H    GLY  54           H        GLY  54  17.816  11.228 -17.345
  412    HA2  GLY  54           HA2      GLY  54  17.705  12.460 -15.447
  413    HA3  GLY  54           HA3      GLY  54  15.939  12.395 -15.490
  414    H    ILE  55           H        ILE  55  17.619   9.292 -15.568
  415    HA   ILE  55           HA       ILE  55  16.833   8.849 -12.715
  416    HB   ILE  55           HB       ILE  55  16.811   6.923 -14.971
  417   HG12  ILE  55          HG12      ILE  55  14.553   8.336 -13.491
  418   HG13  ILE  55          HG13      ILE  55  14.954   8.496 -15.195
  419   HG21  ILE  55          HG21      ILE  55  15.771   5.349 -13.314
  420   HG22  ILE  55          HG22      ILE  55  17.367   5.813 -12.814
  421   HG23  ILE  55          HG23      ILE  55  15.951   6.591 -12.064
  422   HD11  ILE  55          HD11      ILE  55  13.015   7.118 -15.036
  423   HD12  ILE  55          HD12      ILE  55  14.352   6.067 -15.519
  424   HD13  ILE  55          HD13      ILE  55  13.764   6.061 -13.832
  425    H    ASP  56           H        ASP  56  18.290   7.919 -11.320
  426    HA   ASP  56           HA       ASP  56  20.968   7.169 -12.405
  427    HB2  ASP  56           HB2      ASP  56  21.219   8.811 -10.689
  428    HB3  ASP  56           HB3      ASP  56  20.125   7.930  -9.607
  429    H    ILE  57           H        ILE  57  21.614   5.137 -12.277
  430    HA   ILE  57           HA       ILE  57  20.059   3.139 -10.726
  431    HB   ILE  57           HB       ILE  57  20.446   1.525 -12.626
  432   HG12  ILE  57          HG12      ILE  57  20.775   4.020 -14.351
  433   HG13  ILE  57          HG13      ILE  57  22.169   3.102 -13.790
  434   HG21  ILE  57          HG21      ILE  57  18.434   2.096 -13.746
  435   HG22  ILE  57          HG22      ILE  57  18.251   2.682 -12.095
  436   HG23  ILE  57          HG23      ILE  57  18.619   3.833 -13.394
  437   HD11  ILE  57          HD11      ILE  57  19.921   1.840 -15.416
  438   HD12  ILE  57          HD12      ILE  57  21.387   2.560 -16.086
  439   HD13  ILE  57          HD13      ILE  57  21.508   1.150 -15.011
  440    H    SER  58           H        SER  58  23.180   4.412 -11.588
  441    HA   SER  58           HA       SER  58  24.989   2.470 -11.164
  442    HB2  SER  58           HB2      SER  58  26.456   4.190 -10.259
  443    HB3  SER  58           HB3      SER  58  25.441   4.885 -11.531
  444    HG   SER  58           HG       SER  58  24.191   5.908 -10.055
  445    H    GLY  59           H        GLY  59  23.062   3.873  -8.516
  446    HA2  GLY  59           HA2      GLY  59  24.614   2.537  -6.462
  447    HA3  GLY  59           HA3      GLY  59  23.188   3.562  -6.250
  448    H    GLN  60           H        GLN  60  22.402   1.038  -8.492
  449    HA   GLN  60           HA       GLN  60  20.510   0.110  -6.541
  450    HB2  GLN  60           HB2      GLN  60  21.114  -0.800  -9.368
  451    HB3  GLN  60           HB3      GLN  60  19.870  -1.525  -8.335
  452    HG2  GLN  60           HG2      GLN  60  18.755   0.691  -8.124
  453    HG3  GLN  60           HG3      GLN  60  19.998   1.437  -9.123
  454   HE21  GLN  60          HE22      GLN  60  19.916  -1.145 -11.010
  455   HE22  GLN  60          HE21      GLN  60  18.522  -0.707 -11.989
  456    H    THR  61           H        THR  61  20.878  -1.361  -5.062
  457    HA   THR  61           HA       THR  61  21.541  -3.893  -5.936
  458    HB   THR  61           HB       THR  61  23.807  -3.338  -5.639
  459    HG1  THR  61           HG1      THR  61  24.499  -4.827  -4.192
  460   HG21  THR  61          HG21      THR  61  23.223  -2.278  -2.845
  461   HG22  THR  61          HG22      THR  61  24.847  -2.493  -3.539
  462   HG23  THR  61          HG23      THR  61  23.736  -1.324  -4.256
  463    H    SER  62           H        SER  62  21.453  -5.351  -3.764
  464    HA   SER  62           HA       SER  62  19.702  -4.419  -1.689
  465    HB2  SER  62           HB2      SER  62  18.577  -6.371  -3.752
  466    HB3  SER  62           HB3      SER  62  17.785  -5.873  -2.251
  467    HG   SER  62           HG       SER  62  18.064  -3.625  -3.239
  468    H    ASP  63           H        ASP  63  19.226  -6.250  -0.260
  469    HA   ASP  63           HA       ASP  63  21.370  -8.077   0.232
  470    HB2  ASP  63           HB2      ASP  63  18.610  -7.488   1.194
  471    HB3  ASP  63           HB3      ASP  63  19.210  -9.100   1.545
  472    HA   PRO  64           HA       PRO  64  20.166 -11.559  -2.324
  473    HB2  PRO  64           HB2      PRO  64  20.312 -13.754  -0.677
  474    HB3  PRO  64           HB3      PRO  64  21.754 -12.904  -1.306
  475    HG2  PRO  64           HG2      PRO  64  20.413 -12.534   1.398
  476    HG3  PRO  64           HG3      PRO  64  22.153 -12.769   1.048
  477    HD2  PRO  64           HD2      PRO  64  21.105 -10.309   1.441
  478    HD3  PRO  64           HD3      PRO  64  22.376 -10.561   0.210
  479    H    ILE  65           H        ILE  65  18.275 -12.811  -2.773
  480    HA   ILE  65           HA       ILE  65  15.929 -11.668  -1.775
  481    HB   ILE  65           HB       ILE  65  16.531 -12.921  -3.982
  482   HG12  ILE  65          HG12      ILE  65  13.749 -13.127  -2.834
  483   HG13  ILE  65          HG13      ILE  65  14.459 -11.682  -3.532
  484   HG21  ILE  65          HG21      ILE  65  15.820 -15.178  -4.262
  485   HG22  ILE  65          HG22      ILE  65  16.913 -15.144  -2.872
  486   HG23  ILE  65          HG23      ILE  65  15.158 -15.254  -2.619
  487   HD11  ILE  65          HD11      ILE  65  13.064 -12.670  -5.211
  488   HD12  ILE  65          HD12      ILE  65  14.746 -12.915  -5.714
  489   HD13  ILE  65          HD13      ILE  65  13.812 -14.261  -5.012
  490    H    GLU  66           H        GLU  66  17.738 -14.310  -0.535
  491    HA   GLU  66           HA       GLU  66  15.729 -15.782   0.794
  492    HB2  GLU  66           HB2      GLU  66  18.609 -15.531   1.750
  493    HB3  GLU  66           HB3      GLU  66  17.543 -16.940   1.849
  494    HG2  GLU  66           HG2      GLU  66  17.657 -17.042  -0.698
  495    HG3  GLU  66           HG3      GLU  66  18.870 -15.747  -0.602
  496    H    ASN  67           H        ASN  67  17.474 -12.889   1.507
  497    HA   ASN  67           HA       ASN  67  17.276 -12.699   4.339
  498    HB2  ASN  67           HB2      ASN  67  18.674 -11.298   2.697
  499    HB3  ASN  67           HB3      ASN  67  17.203 -10.387   2.359
  500   HD21  ASN  67          HD22      ASN  67  19.682 -11.129   4.772
  501   HD22  ASN  67          HD21      ASN  67  19.263  -9.852   5.886
  502    H    PHE  68           H        PHE  68  14.903 -12.252   1.822
  503    HA   PHE  68           HA       PHE  68  12.981 -10.782   3.557
  504    HB2  PHE  68           HB2      PHE  68  12.928 -11.259   0.554
  505    HB3  PHE  68           HB3      PHE  68  11.904 -10.158   1.460
  506    HD1  PHE  68           HD1      PHE  68  15.263 -10.746   0.132
  507    HD2  PHE  68           HD2      PHE  68  12.692  -7.985   2.171
  508    HE1  PHE  68           HE1      PHE  68  16.927  -8.920  -0.276
  509    HE2  PHE  68           HE2      PHE  68  14.321  -6.136   1.747
  510    HZ   PHE  68           HZ       PHE  68  16.432  -6.609   0.523
  511    H    ASN  69           H        ASN  69  10.640 -11.459   2.322
  512    HA   ASN  69           HA       ASN  69  10.541 -14.311   1.968
  513    HB2  ASN  69           HB2      ASN  69   9.750 -13.769   4.383
  514    HB3  ASN  69           HB3      ASN  69   8.438 -12.841   3.607
  515   HD21  ASN  69          HD22      ASN  69   7.880 -14.976   5.414
  516   HD22  ASN  69          HD21      ASN  69   7.140 -16.265   4.495
  517    H    ALA  70           H        ALA  70   8.812 -14.823   0.393
  518    HA   ALA  70           HA       ALA  70   8.398 -12.515  -1.266
  519    HB1  ALA  70           HB1      ALA  70   8.946 -15.015  -2.050
  520    HB2  ALA  70           HB2      ALA  70   7.202 -15.230  -1.830
  521    HB3  ALA  70           HB3      ALA  70   7.813 -14.020  -2.976
  522    H    ASP  71           H        ASP  71   6.758 -14.510   1.107
  523    HA   ASP  71           HA       ASP  71   4.184 -13.885   0.250
  524    HB2  ASP  71           HB2      ASP  71   4.673 -15.753   1.791
  525    HB3  ASP  71           HB3      ASP  71   5.208 -14.610   3.031
  526    H    ASP  72           H        ASP  72   6.531 -11.924   1.867
  527    HA   ASP  72           HA       ASP  72   4.683 -10.033   3.051
  528    HB2  ASP  72           HB2      ASP  72   6.903 -10.497   4.083
  529    HB3  ASP  72           HB3      ASP  72   7.676  -9.871   2.616
  530    H    TYR  73           H        TYR  73   6.423 -10.587   0.085
  531    HA   TYR  73           HA       TYR  73   6.144  -7.900  -0.940
  532    HB2  TYR  73           HB2      TYR  73   7.446 -10.434  -1.917
  533    HB3  TYR  73           HB3      TYR  73   7.017  -9.198  -3.087
  534    HD1  TYR  73           HD1      TYR  73   8.684  -9.425   0.302
  535    HD2  TYR  73           HD2      TYR  73   8.596  -7.529  -3.580
  536    HE1  TYR  73           HE1      TYR  73  10.487  -7.912   1.008
  537    HE2  TYR  73           HE2      TYR  73  10.435  -6.021  -2.885
  538    HH   TYR  73           HH       TYR  73  11.734  -5.275  -1.072
  539    H    ASP  74           H        ASP  74   5.222  -7.748  -3.281
  540    HA   ASP  74           HA       ASP  74   2.564  -9.128  -3.350
  541    HB2  ASP  74           HB2      ASP  74   2.269  -6.807  -2.638
  542    HB3  ASP  74           HB3      ASP  74   3.175  -6.248  -4.042
  543    H    VAL  75           H        VAL  75   5.226  -7.581  -5.229
  544    HA   VAL  75           HA       VAL  75   4.378  -9.159  -7.576
  545    HB   VAL  75           HB       VAL  75   3.367  -7.155  -8.007
  546   HG11  VAL  75          HG11      VAL  75   5.533  -5.485  -6.825
  547   HG12  VAL  75          HG12      VAL  75   4.143  -4.879  -7.722
  548   HG13  VAL  75          HG13      VAL  75   3.907  -5.726  -6.196
  549   HG21  VAL  75          HG21      VAL  75   4.623  -6.011  -9.766
  550   HG22  VAL  75          HG22      VAL  75   6.122  -6.789  -9.224
  551   HG23  VAL  75          HG23      VAL  75   4.813  -7.780  -9.866
  552    H    VAL  76           H        VAL  76   5.984 -10.015  -8.796
  553    HA   VAL  76           HA       VAL  76   8.776  -9.143  -8.365
  554    HB   VAL  76           HB       VAL  76   7.640 -11.908  -7.968
  555   HG11  VAL  76          HG11      VAL  76  10.596 -11.141  -8.130
  556   HG12  VAL  76          HG12      VAL  76   9.991 -12.696  -7.542
  557   HG13  VAL  76          HG13      VAL  76   9.705 -12.235  -9.214
  558   HG21  VAL  76          HG21      VAL  76   9.421 -10.400  -5.984
  559   HG22  VAL  76          HG22      VAL  76   7.654 -10.358  -5.906
  560   HG23  VAL  76          HG23      VAL  76   8.457 -11.876  -5.738
  561    H    ILE  77           H        ILE  77   9.892  -9.287 -10.268
  562    HA   ILE  77           HA       ILE  77   8.522 -10.479 -12.631
  563    HB   ILE  77           HB       ILE  77  10.330  -8.058 -12.496
  564   HG12  ILE  77          HG12      ILE  77   8.283  -7.426 -11.327
  565   HG13  ILE  77          HG13      ILE  77   8.456  -6.576 -12.838
  566   HG21  ILE  77          HG21      ILE  77   8.578  -8.997 -14.798
  567   HG22  ILE  77          HG22      ILE  77   9.753  -7.657 -14.783
  568   HG23  ILE  77          HG23      ILE  77  10.313  -9.314 -14.650
  569   HD11  ILE  77          HD11      ILE  77   6.679  -7.661 -13.856
  570   HD12  ILE  77          HD12      ILE  77   6.673  -9.010 -12.675
  571   HD13  ILE  77          HD13      ILE  77   6.128  -7.393 -12.204
  572    H    SER  78           H        SER  78   9.772 -12.089 -13.501
  573    HA   SER  78           HA       SER  78  12.695 -12.145 -12.891
  574    HB2  SER  78           HB2      SER  78  10.730 -14.212 -13.933
  575    HB3  SER  78           HB3      SER  78  12.491 -14.434 -13.974
  576    HG   SER  78           HG       SER  78  11.833 -15.323 -12.037
  577    H    LEU  79           H        LEU  79  13.501 -10.651 -14.336
  578    HA   LEU  79           HA       LEU  79  12.309 -10.109 -16.917
  579    HB2  LEU  79           HB2      LEU  79  15.040  -9.491 -15.735
  580    HB3  LEU  79           HB3      LEU  79  14.509  -8.880 -17.297
  581    HG   LEU  79           HG       LEU  79  12.984  -8.311 -14.718
  582   HD11  LEU  79          HD11      LEU  79  14.201  -6.175 -14.659
  583   HD12  LEU  79          HD12      LEU  79  15.333  -7.516 -14.571
  584   HD13  LEU  79          HD13      LEU  79  15.106  -6.635 -16.106
  585   HD21  LEU  79          HD21      LEU  79  13.031  -6.896 -17.405
  586   HD22  LEU  79          HD22      LEU  79  11.724  -7.976 -16.840
  587   HD23  LEU  79          HD23      LEU  79  12.037  -6.457 -15.998
  588    H    CYS  80           H        CYS  80  14.386 -12.616 -15.777
  589    HA   CYS  80           HA       CYS  80  14.226 -13.887 -18.319
  590    HB2  CYS  80           HB2      CYS  80  16.531 -14.300 -18.725
  591    HB3  CYS  80           HB3      CYS  80  16.408 -12.563 -18.503
  592    H    GLY  81           H        GLY  81  14.940 -16.258 -17.958
  593    HA2  GLY  81           HA2      GLY  81  15.295 -18.147 -16.695
  594    HA3  GLY  81           HA3      GLY  81  15.707 -17.117 -15.321
  595    H    SER  82           H        SER  82  14.588 -18.840 -14.123
  596    HA   SER  82           HA       SER  82  11.679 -18.477 -13.797
  597    HB2  SER  82           HB2      SER  82  11.386 -20.963 -14.146
  598    HB3  SER  82           HB3      SER  82  11.826 -20.079 -15.607
  599    HG   SER  82           HG       SER  82  13.065 -21.989 -15.403
  600    H    GLY  83           H        GLY  83  11.231 -20.631 -12.088
  601    HA2  GLY  83           HA2      GLY  83  12.736 -20.050  -9.660
  602    HA3  GLY  83           HA3      GLY  83  11.460 -21.247  -9.882
  603    H    VAL  84           H        VAL  84  14.744 -20.640 -11.195
  604    HA   VAL  84           HA       VAL  84  15.194 -23.368 -11.845
  605    HB   VAL  84           HB       VAL  84  16.019 -21.548 -13.140
  606   HG11  VAL  84          HG11      VAL  84  16.532 -19.863 -11.320
  607   HG12  VAL  84          HG12      VAL  84  18.029 -20.769 -10.992
  608   HG13  VAL  84          HG13      VAL  84  17.763 -20.024 -12.568
  609   HG21  VAL  84          HG21      VAL  84  18.385 -23.079 -11.999
  610   HG22  VAL  84          HG22      VAL  84  17.261 -23.671 -13.244
  611   HG23  VAL  84          HG23      VAL  84  18.296 -22.276 -13.581
  612    H    ASN  85           H        ASN  85  16.830 -21.326  -9.397
  613    HA   ASN  85           HA       ASN  85  16.902 -23.593  -7.503
  614    HB2  ASN  85           HB2      ASN  85  19.133 -23.151  -6.825
  615    HB3  ASN  85           HB3      ASN  85  19.185 -23.375  -8.567
  616   HD21  ASN  85          HD22      ASN  85  21.290 -22.102  -7.136
  617   HD22  ASN  85          HD21      ASN  85  21.337 -20.421  -7.611
  618    H    LEU  86           H        LEU  86  15.110 -21.369  -7.962
  619    HA   LEU  86           HA       LEU  86  15.674 -19.430  -5.793
  620    HB2  LEU  86           HB2      LEU  86  15.987 -18.360  -7.872
  621    HB3  LEU  86           HB3      LEU  86  14.576 -19.091  -8.600
  622    HG   LEU  86           HG       LEU  86  14.005 -17.469  -6.180
  623   HD11  LEU  86          HD11      LEU  86  14.152 -15.296  -7.417
  624   HD12  LEU  86          HD12      LEU  86  15.737 -16.021  -7.158
  625   HD13  LEU  86          HD13      LEU  86  14.968 -16.133  -8.755
  626   HD21  LEU  86          HD21      LEU  86  12.855 -17.608  -9.019
  627   HD22  LEU  86          HD22      LEU  86  12.167 -18.359  -7.556
  628   HD23  LEU  86          HD23      LEU  86  12.198 -16.592  -7.732
  629    HA   PRO  87           HA       PRO  87  12.301 -21.434  -4.159
  630    HB2  PRO  87           HB2      PRO  87  11.486 -19.008  -2.580
  631    HB3  PRO  87           HB3      PRO  87  11.743 -20.688  -2.025
  632    HG2  PRO  87           HG2      PRO  87  13.684 -18.816  -1.659
  633    HG3  PRO  87           HG3      PRO  87  14.097 -20.487  -2.155
  634    HD2  PRO  87           HD2      PRO  87  13.916 -18.017  -3.887
  635    HD3  PRO  87           HD3      PRO  87  15.135 -19.317  -3.865
  636    HA   PRO  88           HA       PRO  88   8.952 -20.793  -6.788
  637    HB2  PRO  88           HB2      PRO  88   7.164 -22.195  -4.789
  638    HB3  PRO  88           HB3      PRO  88   7.329 -22.495  -6.548
  639    HG2  PRO  88           HG2      PRO  88   8.579 -24.118  -4.779
  640    HG3  PRO  88           HG3      PRO  88   9.455 -23.550  -6.238
  641    HD2  PRO  88           HD2      PRO  88   9.627 -22.478  -3.411
  642    HD3  PRO  88           HD3      PRO  88  10.931 -22.846  -4.577
  643    H    GLU  89           H        GLU  89   8.127 -19.834  -3.417
  644    HA   GLU  89           HA       GLU  89   5.752 -18.471  -4.145
  645    HB2  GLU  89           HB2      GLU  89   5.980 -17.308  -1.984
  646    HB3  GLU  89           HB3      GLU  89   6.129 -19.049  -1.861
  647    HG2  GLU  89           HG2      GLU  89   8.692 -17.481  -2.106
  648    HG3  GLU  89           HG3      GLU  89   7.764 -17.306  -0.623
  649    H    TRP  90           H        TRP  90   8.953 -17.646  -5.009
  650    HA   TRP  90           HA       TRP  90   8.416 -14.761  -5.237
  651    HB2  TRP  90           HB2      TRP  90  10.693 -16.545  -6.127
  652    HB3  TRP  90           HB3      TRP  90  10.651 -14.805  -6.408
  653    HD1  TRP  90           HD1      TRP  90  11.723 -17.291  -3.887
  654    HE1  TRP  90           HE1      TRP  90  12.368 -16.196  -1.651
  655    HE3  TRP  90           HE3      TRP  90  10.163 -12.595  -4.876
  656    HZ2  TRP  90           HZ2      TRP  90  12.007 -13.588  -0.379
  657    HZ3  TRP  90           HZ3      TRP  90  10.132 -10.837  -3.126
  658    HH2  TRP  90           HH2      TRP  90  11.059 -11.309  -0.889
  659    H    VAL  91           H        VAL  91   8.240 -17.666  -7.268
  660    HA   VAL  91           HA       VAL  91   7.663 -16.034  -9.614
  661    HB   VAL  91           HB       VAL  91   7.915 -18.163 -10.856
  662   HG11  VAL  91          HG11      VAL  91   9.762 -16.524 -10.629
  663   HG12  VAL  91          HG12      VAL  91  10.311 -17.344  -9.167
  664   HG13  VAL  91          HG13      VAL  91  10.367 -18.186 -10.732
  665   HG21  VAL  91          HG21      VAL  91   8.967 -20.089  -9.869
  666   HG22  VAL  91          HG22      VAL  91   9.086 -19.289  -8.294
  667   HG23  VAL  91          HG23      VAL  91   7.491 -19.749  -8.947
  668    H    THR  92           H        THR  92   5.898 -17.470  -7.135
  669    HA   THR  92           HA       THR  92   3.496 -16.988  -8.805
  670    HB   THR  92           HB       THR  92   3.641 -19.340  -8.741
  671    HG1  THR  92           HG1      THR  92   1.560 -18.734  -8.477
  672   HG21  THR  92          HG21      THR  92   4.269 -19.104  -5.810
  673   HG22  THR  92          HG22      THR  92   3.518 -20.580  -6.468
  674   HG23  THR  92          HG23      THR  92   5.064 -20.026  -7.103
  675    H    GLN  93           H        GLN  93   4.167 -14.924  -7.977
  676    HA   GLN  93           HA       GLN  93   3.289 -14.189  -5.287
  677    HB2  GLN  93           HB2      GLN  93   4.491 -12.805  -7.707
  678    HB3  GLN  93           HB3      GLN  93   3.786 -11.836  -6.424
  679    HG2  GLN  93           HG2      GLN  93   5.957 -13.915  -5.945
  680    HG3  GLN  93           HG3      GLN  93   6.238 -12.219  -6.291
  681   HE21  GLN  93          HE22      GLN  93   5.337 -14.469  -3.770
  682   HE22  GLN  93          HE21      GLN  93   5.129 -13.238  -2.512
  683    H    GLU  94           H        GLU  94   1.768 -11.944  -5.617
  684    HA   GLU  94           HA       GLU  94  -0.767 -12.953  -6.506
  685    HB2  GLU  94           HB2      GLU  94   0.131 -10.115  -5.863
  686    HB3  GLU  94           HB3      GLU  94  -1.537 -10.594  -6.157
  687    HG2  GLU  94           HG2      GLU  94   0.225 -11.582  -3.865
  688    HG3  GLU  94           HG3      GLU  94  -1.067 -10.401  -3.753
  689    H    ILE  95           H        ILE  95   1.838 -11.170  -8.031
  690    HA   ILE  95           HA       ILE  95   0.695 -11.751 -10.653
  691    HB   ILE  95           HB       ILE  95   0.067  -9.492 -10.586
  692   HG12  ILE  95          HG12      ILE  95   2.872  -9.361 -11.797
  693   HG13  ILE  95          HG13      ILE  95   1.534 -10.233 -12.555
  694   HG21  ILE  95          HG21      ILE  95   1.596  -7.638  -9.816
  695   HG22  ILE  95          HG22      ILE  95   1.124  -8.731  -8.526
  696   HG23  ILE  95          HG23      ILE  95   2.732  -8.876  -9.272
  697   HD11  ILE  95          HD11      ILE  95   1.855  -7.992 -13.518
  698   HD12  ILE  95          HD12      ILE  95   0.243  -8.177 -12.782
  699   HD13  ILE  95          HD13      ILE  95   1.510  -7.249 -11.957
  700    H    PHE  96           H        PHE  96   2.269 -12.610 -11.924
  701    HA   PHE  96           HA       PHE  96   5.103 -12.190 -11.195
  702    HB2  PHE  96           HB2      PHE  96   4.535 -14.434 -10.459
  703    HB3  PHE  96           HB3      PHE  96   3.790 -14.797 -12.017
  704    HD1  PHE  96           HD2      PHE  96   7.063 -13.465 -10.665
  705    HD2  PHE  96           HD1      PHE  96   5.102 -16.024 -13.543
  706    HE1  PHE  96           HE2      PHE  96   9.258 -14.188 -11.522
  707    HE2  PHE  96           HE1      PHE  96   7.318 -16.784 -14.366
  708    HZ   PHE  96           HZ       PHE  96   9.394 -15.886 -13.359
  709    H    GLU  97           H        GLU  97   6.360 -11.691 -13.043
  710    HA   GLU  97           HA       GLU  97   5.203 -12.089 -15.709
  711    HB2  GLU  97           HB2      GLU  97   6.318  -9.413 -14.924
  712    HB3  GLU  97           HB3      GLU  97   5.751  -9.847 -16.498
  713    HG2  GLU  97           HG2      GLU  97   3.810  -9.782 -14.162
  714    HG3  GLU  97           HG3      GLU  97   4.311  -8.330 -14.994
  715    H    ASP  98           H        ASP  98   6.905 -11.341 -17.304
  716    HA   ASP  98           HA       ASP  98   9.597 -11.865 -16.953
  717    HB2  ASP  98           HB2      ASP  98   9.230 -14.182 -16.450
  718    HB3  ASP  98           HB3      ASP  98   7.822 -14.264 -17.503
  719    H    TRP  99           H        TRP  99  10.550 -11.288 -18.917
  720    HA   TRP  99           HA       TRP  99   8.766 -10.886 -21.245
  721    HB2  TRP  99           HB2      TRP  99  10.195  -8.676 -19.701
  722    HB3  TRP  99           HB3      TRP  99   9.522  -8.469 -21.322
  723    HD1  TRP  99           HD1      TRP  99   6.680  -9.596 -21.145
  724    HE1  TRP  99           HE1      TRP  99   4.889  -8.711 -19.532
  725    HE3  TRP  99           HE3      TRP  99   9.692  -7.210 -17.779
  726    HZ2  TRP  99           HZ2      TRP  99   4.745  -6.997 -17.236
  727    HZ3  TRP  99           HZ3      TRP  99   8.692  -6.078 -15.827
  728    HH2  TRP  99           HH2      TRP  99   6.242  -5.904 -15.570
  729    H    GLN 100           H        GLN 100   9.870 -10.667 -23.195
  730    HA   GLN 100           HA       GLN 100  12.716 -11.436 -23.221
  731    HB2  GLN 100           HB2      GLN 100  10.700 -11.028 -25.467
  732    HB3  GLN 100           HB3      GLN 100  12.380 -11.560 -25.668
  733    HG2  GLN 100           HG2      GLN 100  11.926 -13.560 -24.274
  734    HG3  GLN 100           HG3      GLN 100  10.241 -13.064 -24.096
  735   HE21  GLN 100          HE22      GLN 100  10.351 -15.502 -25.045
  736   HE22  GLN 100          HE21      GLN 100  10.137 -15.576 -26.777
  737    H    LEU 101           H        LEU 101  12.726  -9.207 -21.902
  738    HA   LEU 101           HA       LEU 101  12.837  -6.798 -23.580
  739    HB2  LEU 101           HB2      LEU 101  13.454  -7.449 -20.674
  740    HB3  LEU 101           HB3      LEU 101  14.108  -5.988 -21.388
  741    HG   LEU 101           HG       LEU 101  11.143  -6.628 -21.358
  742   HD11  LEU 101          HD11      LEU 101  11.638  -6.412 -19.140
  743   HD12  LEU 101          HD12      LEU 101  12.870  -5.170 -19.385
  744   HD13  LEU 101          HD13      LEU 101  11.131  -4.777 -19.584
  745   HD21  LEU 101          HD21      LEU 101  11.405  -5.197 -23.157
  746   HD22  LEU 101          HD22      LEU 101  11.032  -4.101 -21.839
  747   HD23  LEU 101          HD23      LEU 101  12.718  -4.292 -22.400
  748    H    GLU 102           H        GLU 102  14.475  -6.333 -24.884
  749    HA   GLU 102           HA       GLU 102  16.975  -7.730 -24.794
  750    HB2  GLU 102           HB2      GLU 102  17.581  -6.457 -26.717
  751    HB3  GLU 102           HB3      GLU 102  15.921  -7.045 -26.885
  752    HG2  GLU 102           HG2      GLU 102  15.330  -4.682 -25.822
  753    HG3  GLU 102           HG3      GLU 102  16.938  -4.262 -26.419
  754    H    ASP 103           H        ASP 103  19.120  -6.359 -24.631
  755    HA   ASP 103           HA       ASP 103  18.884  -4.370 -22.508
  756    HB2  ASP 103           HB2      ASP 103  19.122  -6.481 -21.364
  757    HB3  ASP 103           HB3      ASP 103  20.537  -6.892 -22.340
  758    HA   PRO 104           HA       PRO 104  21.917  -2.688 -25.245
  759    HB2  PRO 104           HB2      PRO 104  22.496  -0.364 -24.125
  760    HB3  PRO 104           HB3      PRO 104  20.819  -0.773 -24.563
  761    HG2  PRO 104           HG2      PRO 104  22.115  -1.062 -21.815
  762    HG3  PRO 104           HG3      PRO 104  20.587  -0.203 -22.214
  763    HD2  PRO 104           HD2      PRO 104  20.623  -2.782 -21.367
  764    HD3  PRO 104           HD3      PRO 104  19.457  -2.214 -22.589
  765    H    ASP 105           H        ASP 105  23.099  -4.154 -22.375
  766    HA   ASP 105           HA       ASP 105  25.592  -3.091 -21.883
  767    HB2  ASP 105           HB2      ASP 105  24.800  -4.862 -20.528
  768    HB3  ASP 105           HB3      ASP 105  24.633  -5.963 -21.902
  769    H    GLY 106           H        GLY 106  27.232  -2.594 -23.178
  770    HA2  GLY 106           HA2      GLY 106  29.035  -2.923 -24.533
  771    HA3  GLY 106           HA3      GLY 106  28.576  -4.626 -24.684
  772    H    GLN 107           H        GLN 107  26.068  -2.383 -25.688
  773    HA   GLN 107           HA       GLN 107  27.030  -2.432 -28.484
  774    HB2  GLN 107           HB2      GLN 107  24.724  -2.971 -29.273
  775    HB3  GLN 107           HB3      GLN 107  25.688  -4.257 -28.579
  776    HG2  GLN 107           HG2      GLN 107  24.375  -4.095 -26.456
  777    HG3  GLN 107           HG3      GLN 107  23.337  -2.891 -27.227
  778   HE21  GLN 107          HE22      GLN 107  22.187  -5.326 -26.247
  779   HE22  GLN 107          HE21      GLN 107  21.767  -6.330 -27.609
  780    H    SER 108           H        SER 108  25.576  -1.020 -29.900
  781    HA   SER 108           HA       SER 108  26.281   1.547 -29.158
  782    HB2  SER 108           HB2      SER 108  24.394   0.678 -31.378
  783    HB3  SER 108           HB3      SER 108  25.414   2.131 -31.354
  784    HG   SER 108           HG       SER 108  26.381   0.426 -32.567
  785    H    LEU 109           H        LEU 109  24.985   3.531 -29.362
  786    HA   LEU 109           HA       LEU 109  23.197   3.789 -27.218
  787    HB2  LEU 109           HB2      LEU 109  23.646   5.720 -29.521
  788    HB3  LEU 109           HB3      LEU 109  22.826   6.072 -28.016
  789    HG   LEU 109           HG       LEU 109  24.870   7.022 -27.672
  790   HD11  LEU 109          HD11      LEU 109  25.404   4.256 -26.491
  791   HD12  LEU 109          HD12      LEU 109  26.023   5.815 -25.927
  792   HD13  LEU 109          HD13      LEU 109  24.296   5.452 -25.790
  793   HD21  LEU 109          HD21      LEU 109  26.405   4.615 -28.730
  794   HD22  LEU 109          HD22      LEU 109  26.007   6.068 -29.684
  795   HD23  LEU 109          HD23      LEU 109  27.032   6.200 -28.253
  796    H    GLU 110           H        GLU 110  22.411   3.152 -30.605
  797    HA   GLU 110           HA       GLU 110  19.662   3.739 -30.527
  798    HB2  GLU 110           HB2      GLU 110  19.468   1.829 -32.194
  799    HB3  GLU 110           HB3      GLU 110  20.572   3.152 -32.616
  800    HG2  GLU 110           HG2      GLU 110  22.494   1.737 -31.944
  801    HG3  GLU 110           HG3      GLU 110  21.379   0.430 -31.538
  802    H    VAL 111           H        VAL 111  21.418   0.989 -29.111
  803    HA   VAL 111           HA       VAL 111  18.973  -0.439 -28.586
  804    HB   VAL 111           HB       VAL 111  21.672  -1.049 -27.398
  805   HG11  VAL 111          HG11      VAL 111  19.237  -2.761 -28.107
  806   HG12  VAL 111          HG12      VAL 111  20.744  -3.357 -27.393
  807   HG13  VAL 111          HG13      VAL 111  19.707  -2.271 -26.466
  808   HG21  VAL 111          HG21      VAL 111  22.098  -0.924 -29.779
  809   HG22  VAL 111          HG22      VAL 111  21.863  -2.635 -29.420
  810   HG23  VAL 111          HG23      VAL 111  20.549  -1.691 -30.163
  811    H    PHE 112           H        PHE 112  21.217   1.606 -26.593
  812    HA   PHE 112           HA       PHE 112  19.712   1.402 -24.169
  813    HB2  PHE 112           HB2      PHE 112  21.308   3.738 -25.328
  814    HB3  PHE 112           HB3      PHE 112  20.598   3.737 -23.723
  815    HD1  PHE 112           HD2      PHE 112  21.440   2.275 -21.920
  816    HD2  PHE 112           HD1      PHE 112  23.370   2.399 -25.774
  817    HE1  PHE 112           HE2      PHE 112  23.391   1.017 -21.020
  818    HE2  PHE 112           HE1      PHE 112  25.335   1.271 -24.837
  819    HZ   PHE 112           HZ       PHE 112  25.333   0.517 -22.498
  820    H    ARG 113           H        ARG 113  19.303   3.647 -26.958
  821    HA   ARG 113           HA       ARG 113  17.044   5.043 -25.898
  822    HB2  ARG 113           HB2      ARG 113  17.971   4.504 -28.755
  823    HB3  ARG 113           HB3      ARG 113  16.666   5.620 -28.352
  824    HG2  ARG 113           HG2      ARG 113  18.100   7.130 -27.227
  825    HG3  ARG 113           HG3      ARG 113  19.404   5.945 -27.062
  826    HD2  ARG 113           HD2      ARG 113  19.782   5.963 -29.486
  827    HD3  ARG 113           HD3      ARG 113  18.472   7.153 -29.695
  828    HE   ARG 113           HE       ARG 113  20.334   8.144 -27.792
  829   HH11  ARG 113          HH21      ARG 113  20.143   7.533 -31.293
  830   HH12  ARG 113          HH22      ARG 113  21.294   8.750 -31.712
  831   HH21  ARG 113          HH11      ARG 113  21.851   9.794 -28.356
  832   HH22  ARG 113          HH12      ARG 113  22.278  10.058 -30.004
  833    H    THR 114           H        THR 114  17.174   2.062 -27.952
  834    HA   THR 114           HA       THR 114  14.394   1.681 -28.204
  835    HB   THR 114           HB       THR 114  16.904  -0.023 -28.276
  836    HG1  THR 114           HG1      THR 114  16.752   1.230 -30.029
  837   HG21  THR 114          HG21      THR 114  15.287  -1.600 -27.620
  838   HG22  THR 114          HG22      THR 114  14.104  -0.996 -28.809
  839   HG23  THR 114          HG23      THR 114  15.608  -1.817 -29.344
  840    H    VAL 115           H        VAL 115  16.756   0.424 -25.748
  841    HA   VAL 115           HA       VAL 115  14.779  -1.138 -24.472
  842    HB   VAL 115           HB       VAL 115  17.562  -0.267 -23.639
  843   HG11  VAL 115          HG11      VAL 115  15.787  -2.363 -22.300
  844   HG12  VAL 115          HG12      VAL 115  17.473  -2.048 -21.906
  845   HG13  VAL 115          HG13      VAL 115  16.269  -0.814 -21.559
  846   HG21  VAL 115          HG21      VAL 115  18.104  -2.597 -24.276
  847   HG22  VAL 115          HG22      VAL 115  16.388  -2.937 -24.560
  848   HG23  VAL 115          HG23      VAL 115  17.266  -1.845 -25.632
  849    H    ARG 116           H        ARG 116  15.797   2.243 -23.926
  850    HA   ARG 116           HA       ARG 116  14.262   2.569 -21.555
  851    HB2  ARG 116           HB2      ARG 116  14.987   4.552 -23.768
  852    HB3  ARG 116           HB3      ARG 116  13.966   4.996 -22.390
  853    HG2  ARG 116           HG2      ARG 116  15.773   4.096 -20.860
  854    HG3  ARG 116           HG3      ARG 116  16.850   4.023 -22.259
  855    HD2  ARG 116           HD2      ARG 116  15.410   6.552 -21.329
  856    HD3  ARG 116           HD3      ARG 116  16.995   6.079 -20.756
  857    HE   ARG 116           HE       ARG 116  17.987   6.489 -22.799
  858   HH11  ARG 116          HH11      ARG 116  14.511   7.353 -23.025
  859   HH12  ARG 116          HH12      ARG 116  14.761   8.439 -24.333
  860   HH21  ARG 116          HH21      ARG 116  18.267   7.983 -24.505
  861   HH22  ARG 116          HH22      ARG 116  16.907   8.787 -25.195
  862    H    GLY 117           H        GLY 117  13.173   2.915 -24.985
  863    HA2  GLY 117           HA2      GLY 117  10.459   3.491 -24.376
  864    HA3  GLY 117           HA3      GLY 117  11.056   2.736 -25.866
  865    H    GLN 118           H        GLN 118  12.024   0.335 -25.131
  866    HA   GLN 118           HA       GLN 118   9.737  -1.293 -24.922
  867    HB2  GLN 118           HB2      GLN 118  12.660  -1.920 -24.355
  868    HB3  GLN 118           HB3      GLN 118  11.413  -3.148 -24.501
  869    HG2  GLN 118           HG2      GLN 118  11.890  -1.233 -26.807
  870    HG3  GLN 118           HG3      GLN 118  12.967  -2.584 -26.521
  871   HE21  GLN 118          HE22      GLN 118  12.497  -4.181 -27.984
  872   HE22  GLN 118          HE21      GLN 118  10.870  -4.705 -28.397
  873    H    VAL 119           H        VAL 119  12.162  -0.587 -22.413
  874    HA   VAL 119           HA       VAL 119  10.786  -2.269 -20.494
  875    HB   VAL 119           HB       VAL 119  13.062  -0.256 -20.138
  876   HG11  VAL 119          HG11      VAL 119  13.560  -1.573 -18.088
  877   HG12  VAL 119          HG12      VAL 119  12.028  -0.697 -17.969
  878   HG13  VAL 119          HG13      VAL 119  12.021  -2.453 -18.283
  879   HG21  VAL 119          HG21      VAL 119  14.501  -2.268 -20.156
  880   HG22  VAL 119          HG22      VAL 119  13.078  -3.295 -20.409
  881   HG23  VAL 119          HG23      VAL 119  13.591  -2.180 -21.672
  882    H    LYS 120           H        LYS 120  10.863   1.316 -21.018
  883    HA   LYS 120           HA       LYS 120   9.377   2.054 -18.723
  884    HB2  LYS 120           HB2      LYS 120  10.388   3.637 -20.365
  885    HB3  LYS 120           HB3      LYS 120   9.194   3.116 -21.592
  886    HG2  LYS 120           HG2      LYS 120   7.371   4.061 -20.269
  887    HG3  LYS 120           HG3      LYS 120   8.487   4.469 -18.951
  888    HD2  LYS 120           HD2      LYS 120   9.728   6.001 -20.389
  889    HD3  LYS 120           HD3      LYS 120   8.746   5.578 -21.796
  890    HE2  LYS 120           HE2      LYS 120   7.617   6.852 -19.256
  891    HE3  LYS 120           HE3      LYS 120   8.225   7.787 -20.623
  892    HZ1  LYS 120           HZ1      LYS 120   6.538   6.724 -22.034
  893    HZ2  LYS 120           HZ2      LYS 120   5.922   5.897 -20.744
  894    HZ3  LYS 120           HZ3      LYS 120   5.853   7.529 -20.795
  895    H    GLU 121           H        GLU 121   8.289   0.910 -21.948
  896    HA   GLU 121           HA       GLU 121   5.533   1.122 -21.433
  897    HB2  GLU 121           HB2      GLU 121   6.562   1.068 -23.607
  898    HB3  GLU 121           HB3      GLU 121   7.164  -0.567 -23.353
  899    HG2  GLU 121           HG2      GLU 121   4.863  -1.444 -23.249
  900    HG3  GLU 121           HG3      GLU 121   4.213   0.183 -23.470
  901    H    ARG 122           H        ARG 122   7.735  -1.746 -20.938
  902    HA   ARG 122           HA       ARG 122   5.605  -3.481 -20.025
  903    HB2  ARG 122           HB2      ARG 122   8.502  -3.575 -19.053
  904    HB3  ARG 122           HB3      ARG 122   7.315  -4.863 -18.953
  905    HG2  ARG 122           HG2      ARG 122   8.641  -3.803 -21.452
  906    HG3  ARG 122           HG3      ARG 122   8.968  -5.325 -20.660
  907    HD2  ARG 122           HD2      ARG 122   6.896  -6.269 -21.331
  908    HD3  ARG 122           HD3      ARG 122   6.233  -4.717 -21.828
  909    HE   ARG 122           HE       ARG 122   8.237  -6.363 -23.248
  910   HH11  ARG 122          HH11      ARG 122   6.401  -3.343 -23.203
  911   HH12  ARG 122          HH12      ARG 122   6.742  -2.898 -24.837
  912   HH21  ARG 122          HH21      ARG 122   8.761  -5.783 -25.439
  913   HH22  ARG 122          HH22      ARG 122   8.357  -4.205 -26.025
  914    H    VAL 123           H        VAL 123   7.811  -1.323 -18.220
  915    HA   VAL 123           HA       VAL 123   6.785  -2.110 -15.657
  916    HB   VAL 123           HB       VAL 123   8.311   0.329 -16.490
  917   HG11  VAL 123          HG11      VAL 123   9.048   0.431 -14.146
  918   HG12  VAL 123          HG12      VAL 123   7.296   0.651 -14.269
  919   HG13  VAL 123          HG13      VAL 123   7.946  -0.905 -13.730
  920   HG21  VAL 123          HG21      VAL 123   9.506  -1.888 -16.947
  921   HG22  VAL 123          HG22      VAL 123  10.308  -0.826 -15.791
  922   HG23  VAL 123          HG23      VAL 123   9.384  -2.223 -15.212
  923    H    GLU 124           H        GLU 124   5.916   0.586 -17.930
  924    HA   GLU 124           HA       GLU 124   3.987   1.786 -16.235
  925    HB2  GLU 124           HB2      GLU 124   4.402   1.715 -19.244
  926    HB3  GLU 124           HB3      GLU 124   2.887   2.325 -18.574
  927    HG2  GLU 124           HG2      GLU 124   4.284   3.876 -17.109
  928    HG3  GLU 124           HG3      GLU 124   5.657   3.448 -18.138
  929    H    ASN 125           H        ASN 125   3.700  -0.864 -18.599
  930    HA   ASN 125           HA       ASN 125   0.894  -1.183 -18.319
  931    HB2  ASN 125           HB2      ASN 125   2.208  -2.133 -20.205
  932    HB3  ASN 125           HB3      ASN 125   3.005  -3.253 -19.097
  933   HD21  ASN 125          HD22      ASN 125  -0.205  -2.368 -20.479
  934   HD22  ASN 125          HD21      ASN 125  -0.919  -3.942 -20.232
  935    H    LEU 126           H        LEU 126   3.598  -2.765 -16.577
  936    HA   LEU 126           HA       LEU 126   2.149  -4.477 -14.881
  937    HB2  LEU 126           HB2      LEU 126   4.555  -4.573 -15.154
  938    HB3  LEU 126           HB3      LEU 126   4.758  -2.920 -14.589
  939    HG   LEU 126           HG       LEU 126   3.998  -3.564 -12.327
  940   HD11  LEU 126          HD11      LEU 126   4.010  -6.382 -13.519
  941   HD12  LEU 126          HD12      LEU 126   3.867  -6.018 -11.791
  942   HD13  LEU 126          HD13      LEU 126   2.595  -5.499 -12.891
  943   HD21  LEU 126          HD21      LEU 126   6.042  -4.765 -11.689
  944   HD22  LEU 126          HD22      LEU 126   6.345  -5.167 -13.394
  945   HD23  LEU 126          HD23      LEU 126   6.364  -3.472 -12.863
  946    H    ILE 127           H        ILE 127   3.158  -1.027 -14.361
  947    HA   ILE 127           HA       ILE 127   2.010  -0.788 -11.725
  948    HB   ILE 127           HB       ILE 127   2.919   1.112 -13.926
  949   HG12  ILE 127          HG12      ILE 127   4.013   0.575 -11.146
  950   HG13  ILE 127          HG13      ILE 127   4.514  -0.405 -12.528
  951   HG21  ILE 127          HG21      ILE 127   2.752   2.965 -12.275
  952   HG22  ILE 127          HG22      ILE 127   1.177   2.315 -12.710
  953   HG23  ILE 127          HG23      ILE 127   1.905   1.868 -11.154
  954   HD11  ILE 127          HD11      ILE 127   6.161   1.281 -12.164
  955   HD12  ILE 127          HD12      ILE 127   5.279   1.671 -13.667
  956   HD13  ILE 127          HD13      ILE 127   4.934   2.559 -12.167
  957    H    ALA 128           H        ALA 128   0.818   0.108 -15.027
  958    HA   ALA 128           HA       ALA 128  -1.627   1.177 -14.241
  959    HB1  ALA 128           HB1      ALA 128  -1.003  -0.377 -16.793
  960    HB2  ALA 128           HB2      ALA 128  -2.339   0.770 -16.563
  961    HB3  ALA 128           HB3      ALA 128  -0.657   1.345 -16.516
  962    H    LYS 129           H        LYS 129  -0.808  -2.315 -14.637
  963    HA   LYS 129           HA       LYS 129  -3.592  -2.999 -14.221
  964    HB2  LYS 129           HB2      LYS 129  -3.018  -5.297 -14.422
  965    HB3  LYS 129           HB3      LYS 129  -2.335  -4.350 -15.745
  966    HG2  LYS 129           HG2      LYS 129  -0.128  -4.414 -14.606
  967    HG3  LYS 129           HG3      LYS 129  -0.819  -5.380 -13.307
  968    HD2  LYS 129           HD2      LYS 129   0.436  -6.765 -14.812
  969    HD3  LYS 129           HD3      LYS 129  -1.285  -7.199 -14.928
  970    HE2  LYS 129           HE2      LYS 129  -1.431  -5.898 -17.050
  971    HE3  LYS 129           HE3      LYS 129   0.246  -5.375 -16.842
  972    HZ1  LYS 129           HZ1      LYS 129  -0.652  -8.156 -17.360
  973    HZ2  LYS 129           HZ2      LYS 129   0.209  -7.188 -18.360
  974    HZ3  LYS 129           HZ3      LYS 129   0.901  -7.773 -16.993
  975    H    ILE 130           H        ILE 130  -0.692  -2.906 -12.063
  976    HA   ILE 130           HA       ILE 130  -2.247  -4.156 -10.017
  977    HB   ILE 130           HB       ILE 130  -0.370  -4.032  -8.629
  978   HG12  ILE 130          HG12      ILE 130   0.870  -2.258 -10.727
  979   HG13  ILE 130          HG13      ILE 130   0.574  -1.886  -9.040
  980   HG21  ILE 130          HG21      ILE 130  -0.604  -5.806 -10.382
  981   HG22  ILE 130          HG22      ILE 130   0.538  -4.891 -11.392
  982   HG23  ILE 130          HG23      ILE 130   1.044  -5.526  -9.815
  983   HD11  ILE 130          HD11      ILE 130   2.923  -2.289  -9.394
  984   HD12  ILE 130          HD12      ILE 130   2.261  -3.567  -8.353
  985   HD13  ILE 130          HD13      ILE 130   2.607  -3.874 -10.093
  986    H    SER 131           H        SER 131  -1.242  -0.806 -10.615
  987    HA   SER 131           HA       SER 131  -2.157   0.070  -8.031
  988    HB2  SER 131           HB2      SER 131  -0.715   1.444 -10.299
  989    HB3  SER 131           HB3      SER 131  -1.133   2.198  -8.748
  990    HG   SER 131           HG       SER 131   1.018   1.267  -8.737
  Start of MODEL    6
    1    H    MET   1           H        MET   1   3.292  -0.555   1.783
    2    HA   MET   1           HA       MET   1   1.821   0.420  -0.580
    3    HB2  MET   1           HB2      MET   1   3.540   1.836  -1.164
    4    HB3  MET   1           HB3      MET   1   3.520   2.013   0.568
    5    HG2  MET   1           HG2      MET   1   5.421   0.199   0.538
    6    HG3  MET   1           HG3      MET   1   5.535   0.605  -1.187
    7    HE1  MET   1           HE1      MET   1   6.889   2.691  -2.087
    8    HE2  MET   1           HE2      MET   1   5.361   3.523  -1.673
    9    HE3  MET   1           HE3      MET   1   6.926   4.221  -1.194
   10    H    LYS   2           H        LYS   2   2.642  -0.432  -2.699
   11    HA   LYS   2           HA       LYS   2   2.966  -3.338  -2.424
   12    HB2  LYS   2           HB2      LYS   2   3.147  -1.945  -5.100
   13    HB3  LYS   2           HB3      LYS   2   2.511  -3.508  -4.715
   14    HG2  LYS   2           HG2      LYS   2   0.535  -2.500  -3.607
   15    HG3  LYS   2           HG3      LYS   2   1.194  -0.882  -3.896
   16    HD2  LYS   2           HD2      LYS   2   1.205  -1.528  -6.404
   17    HD3  LYS   2           HD3      LYS   2   0.098  -2.824  -5.941
   18    HE2  LYS   2           HE2      LYS   2  -0.302   0.144  -5.247
   19    HE3  LYS   2           HE3      LYS   2  -0.900  -0.570  -6.733
   20    HZ1  LYS   2           HZ1      LYS   2  -2.626  -0.525  -5.044
   21    HZ2  LYS   2           HZ2      LYS   2  -2.297  -2.070  -5.426
   22    HZ3  LYS   2           HZ3      LYS   2  -1.755  -1.435  -4.007
   23    H    LYS   3           H        LYS   3   4.977  -4.410  -2.357
   24    HA   LYS   3           HA       LYS   3   7.328  -2.787  -3.230
   25    HB2  LYS   3           HB2      LYS   3   7.563  -5.399  -1.774
   26    HB3  LYS   3           HB3      LYS   3   8.767  -4.099  -2.015
   27    HG2  LYS   3           HG2      LYS   3   7.450  -2.649  -0.474
   28    HG3  LYS   3           HG3      LYS   3   6.273  -3.959  -0.250
   29    HD2  LYS   3           HD2      LYS   3   8.022  -5.427   0.675
   30    HD3  LYS   3           HD3      LYS   3   9.236  -4.140   0.450
   31    HE2  LYS   3           HE2      LYS   3   7.995  -2.656   1.962
   32    HE3  LYS   3           HE3      LYS   3   6.691  -3.849   2.113
   33    HZ1  LYS   3           HZ1      LYS   3   8.264  -5.374   3.166
   34    HZ2  LYS   3           HZ2      LYS   3   9.475  -4.261   3.068
   35    HZ3  LYS   3           HZ3      LYS   3   8.173  -3.968   4.014
   36    H    VAL   4           H        VAL   4   8.509  -3.343  -4.872
   37    HA   VAL   4           HA       VAL   4   7.465  -5.381  -6.720
   38    HB   VAL   4           HB       VAL   4   8.983  -2.862  -7.349
   39   HG11  VAL   4          HG11      VAL   4   7.870  -3.078  -9.589
   40   HG12  VAL   4          HG12      VAL   4   8.965  -4.414  -9.224
   41   HG13  VAL   4          HG13      VAL   4   7.210  -4.634  -9.071
   42   HG21  VAL   4          HG21      VAL   4   7.159  -1.556  -7.721
   43   HG22  VAL   4          HG22      VAL   4   5.998  -2.901  -7.776
   44   HG23  VAL   4          HG23      VAL   4   6.668  -2.344  -6.231
   45    H    MET   5           H        MET   5   9.003  -6.502  -7.958
   46    HA   MET   5           HA       MET   5  11.889  -6.016  -7.536
   47    HB2  MET   5           HB2      MET   5  10.671  -8.824  -7.535
   48    HB3  MET   5           HB3      MET   5  12.380  -8.422  -7.549
   49    HG2  MET   5           HG2      MET   5  11.774  -7.142  -5.296
   50    HG3  MET   5           HG3      MET   5  10.419  -8.264  -5.286
   51    HE1  MET   5           HE1      MET   5  12.971  -7.967  -3.137
   52    HE2  MET   5           HE2      MET   5  11.472  -8.907  -2.932
   53    HE3  MET   5           HE3      MET   5  13.046  -9.694  -2.697
   54    H    PHE   6           H        PHE   6  13.116  -6.408  -9.386
   55    HA   PHE   6           HA       PHE   6  11.765  -7.469 -11.780
   56    HB2  PHE   6           HB2      PHE   6  13.597  -5.023 -11.702
   57    HB3  PHE   6           HB3      PHE   6  13.052  -5.833 -13.155
   58    HD1  PHE   6           HD1      PHE   6  11.963  -3.725 -10.269
   59    HD2  PHE   6           HD2      PHE   6  10.820  -5.379 -14.100
   60    HE1  PHE   6           HE1      PHE   6  10.006  -2.239 -10.348
   61    HE2  PHE   6           HE2      PHE   6   8.847  -3.914 -14.138
   62    HZ   PHE   6           HZ       PHE   6   8.437  -2.318 -12.272
   63    H    VAL   7           H        VAL   7  12.860  -9.391 -12.028
   64    HA   VAL   7           HA       VAL   7  15.741  -9.411 -11.278
   65    HB   VAL   7           HB       VAL   7  14.751  -9.879  -9.280
   66   HG11  VAL   7          HG11      VAL   7  12.436 -10.066  -9.716
   67   HG12  VAL   7          HG12      VAL   7  12.650 -11.606 -10.600
   68   HG13  VAL   7          HG13      VAL   7  12.926 -11.517  -8.843
   69   HG21  VAL   7          HG21      VAL   7  15.245 -12.167  -8.708
   70   HG22  VAL   7          HG22      VAL   7  15.099 -12.699 -10.393
   71   HG23  VAL   7          HG23      VAL   7  16.433 -11.625  -9.892
   72    H    CYS   8           H        CYS   8  17.026 -10.639 -12.380
   73    HA   CYS   8           HA       CYS   8  16.387 -13.078 -13.696
   74    HB2  CYS   8           HB2      CYS   8  15.489 -11.575 -15.388
   75    HB3  CYS   8           HB3      CYS   8  16.952 -10.580 -15.348
   76    H    LYS   9           H        LYS   9  18.574 -14.026 -14.343
   77    HA   LYS   9           HA       LYS   9  20.441 -13.152 -12.288
   78    HB2  LYS   9           HB2      LYS   9  20.687 -15.436 -14.301
   79    HB3  LYS   9           HB3      LYS   9  21.753 -15.144 -12.921
   80    HG2  LYS   9           HG2      LYS   9  19.543 -15.203 -11.497
   81    HG3  LYS   9           HG3      LYS   9  18.849 -16.008 -12.902
   82    HD2  LYS   9           HD2      LYS   9  21.245 -16.916 -11.253
   83    HD3  LYS   9           HD3      LYS   9  19.630 -17.628 -11.229
   84    HE2  LYS   9           HE2      LYS   9  19.881 -18.397 -13.560
   85    HE3  LYS   9           HE3      LYS   9  21.448 -17.587 -13.689
   86    HZ1  LYS   9           HZ1      LYS   9  21.745 -19.927 -13.225
   87    HZ2  LYS   9           HZ2      LYS   9  22.309 -19.047 -11.959
   88    HZ3  LYS   9           HZ3      LYS   9  20.868 -19.841 -11.847
   89    H    ARG  10           H        ARG  10  22.742 -12.946 -12.636
   90    HA   ARG  10           HA       ARG  10  24.481 -11.702 -13.279
   91    HB2  ARG  10           HB2      ARG  10  23.724 -12.548 -16.104
   92    HB3  ARG  10           HB3      ARG  10  25.282 -11.910 -15.588
   93    HG2  ARG  10           HG2      ARG  10  24.035 -14.533 -14.641
   94    HG3  ARG  10           HG3      ARG  10  25.282 -14.374 -15.869
   95    HD2  ARG  10           HD2      ARG  10  26.886 -13.505 -14.224
   96    HD3  ARG  10           HD3      ARG  10  25.639 -13.466 -12.979
   97    HE   ARG  10           HE       ARG  10  25.786 -15.716 -12.633
   98   HH11  ARG  10          HH11      ARG  10  27.722 -15.034 -15.566
   99   HH12  ARG  10          HH12      ARG  10  28.426 -16.612 -15.580
  100   HH21  ARG  10          HH21      ARG  10  26.639 -17.633 -12.655
  101   HH22  ARG  10          HH22      ARG  10  27.802 -18.189 -13.850
  102    H    ASN  11           H        ASN  11  23.021 -10.062 -12.408
  103    HA   ASN  11           HA       ASN  11  21.634  -8.033 -13.569
  104    HB2  ASN  11           HB2      ASN  11  22.188  -8.255 -11.169
  105    HB3  ASN  11           HB3      ASN  11  23.799  -7.576 -11.515
  106   HD21  ASN  11          HD21      ASN  11  20.923  -6.326 -13.264
  107   HD22  ASN  11          HD22      ASN  11  20.724  -4.915 -12.293
  108    H    SER  12           H        SER  12  25.087  -8.525 -14.251
  109    HA   SER  12           HA       SER  12  25.886  -6.080 -15.292
  110    HB2  SER  12           HB2      SER  12  26.270  -8.784 -16.637
  111    HB3  SER  12           HB3      SER  12  27.402  -7.426 -16.584
  112    HG   SER  12           HG       SER  12  28.030  -9.032 -15.084
  113    H    SER  13           H        SER  13  23.457  -8.360 -16.488
  114    HA   SER  13           HA       SER  13  22.658  -6.493 -18.618
  115    HB2  SER  13           HB2      SER  13  22.572  -9.522 -18.874
  116    HB3  SER  13           HB3      SER  13  22.167  -8.323 -20.113
  117    HG   SER  13           HG       SER  13  24.285  -9.255 -20.402
  118    H    ARG  14           H        ARG  14  20.499  -6.154 -18.582
  119    HA   ARG  14           HA       ARG  14  18.428  -5.963 -17.870
  120    HB2  ARG  14           HB2      ARG  14  18.570  -8.965 -17.296
  121    HB3  ARG  14           HB3      ARG  14  17.144  -7.991 -17.045
  122    HG2  ARG  14           HG2      ARG  14  16.607  -8.619 -19.049
  123    HG3  ARG  14           HG3      ARG  14  17.550  -7.242 -19.559
  124    HD2  ARG  14           HD2      ARG  14  19.435  -8.683 -20.153
  125    HD3  ARG  14           HD3      ARG  14  18.733 -10.057 -19.287
  126    HE   ARG  14           HE       ARG  14  16.791  -9.171 -21.075
  127   HH11  ARG  14          HH22      ARG  14  19.965 -10.796 -21.305
  128   HH12  ARG  14          HH21      ARG  14  19.601 -11.581 -22.796
  129   HH21  ARG  14          HH11      ARG  14  16.314 -10.210 -23.012
  130   HH22  ARG  14          HH12      ARG  14  17.458 -11.266 -23.790
  131    H    SER  15           H        SER  15  16.917  -6.071 -15.910
  132    HA   SER  15           HA       SER  15  16.629  -4.909 -13.994
  133    HB2  SER  15           HB2      SER  15  18.715  -6.877 -12.987
  134    HB3  SER  15           HB3      SER  15  17.664  -5.887 -11.966
  135    HG   SER  15           HG       SER  15  16.098  -7.207 -12.330
  136    H    GLN  16           H        GLN  16  18.232  -3.549 -15.843
  137    HA   GLN  16           HA       GLN  16  19.663  -1.826 -13.976
  138    HB2  GLN  16           HB2      GLN  16  21.553  -1.502 -15.416
  139    HB3  GLN  16           HB3      GLN  16  21.432  -3.194 -14.916
  140    HG2  GLN  16           HG2      GLN  16  20.490  -3.740 -17.168
  141    HG3  GLN  16           HG3      GLN  16  20.662  -2.037 -17.619
  142   HE21  GLN  16          HE22      GLN  16  22.014  -4.004 -19.168
  143   HE22  GLN  16          HE21      GLN  16  23.730  -3.905 -18.856
  144    H    MET  17           H        MET  17  17.087  -1.582 -14.878
  145    HA   MET  17           HA       MET  17  17.053   0.890 -16.205
  146    HB2  MET  17           HB2      MET  17  17.460  -0.926 -18.144
  147    HB3  MET  17           HB3      MET  17  15.731  -1.101 -18.046
  148    HG2  MET  17           HG2      MET  17  17.375   1.329 -18.758
  149    HG3  MET  17           HG3      MET  17  16.176   0.505 -19.723
  150    HE1  MET  17           HE1      MET  17  17.100   3.444 -17.413
  151    HE2  MET  17           HE2      MET  17  15.534   4.153 -17.014
  152    HE3  MET  17           HE3      MET  17  16.121   2.781 -16.083
  153    H    ALA  18           H        ALA  18  15.119  -2.168 -15.800
  154    HA   ALA  18           HA       ALA  18  12.610  -0.842 -15.819
  155    HB1  ALA  18           HB1      ALA  18  12.988  -3.254 -16.413
  156    HB2  ALA  18           HB2      ALA  18  13.297  -3.595 -14.687
  157    HB3  ALA  18           HB3      ALA  18  11.701  -3.021 -15.218
  158    H    GLU  19           H        GLU  19  14.577  -1.965 -13.066
  159    HA   GLU  19           HA       GLU  19  12.628  -1.075 -11.112
  160    HB2  GLU  19           HB2      GLU  19  14.474  -1.234  -9.479
  161    HB3  GLU  19           HB3      GLU  19  14.188  -2.698 -10.409
  162    HG2  GLU  19           HG2      GLU  19  16.419  -0.690 -11.007
  163    HG3  GLU  19           HG3      GLU  19  16.604  -2.092  -9.954
  164    H    GLY  20           H        GLY  20  15.451   0.302 -12.742
  165    HA2  GLY  20           HA2      GLY  20  15.708   2.833 -11.655
  166    HA3  GLY  20           HA3      GLY  20  15.820   2.471 -13.389
  167    H    PHE  21           H        PHE  21  13.586   2.220 -14.545
  168    HA   PHE  21           HA       PHE  21  12.078   4.592 -14.193
  169    HB2  PHE  21           HB2      PHE  21  11.594   2.002 -15.654
  170    HB3  PHE  21           HB3      PHE  21  10.220   3.060 -15.414
  171    HD1  PHE  21           HD1      PHE  21  10.947   5.769 -15.738
  172    HD2  PHE  21           HD2      PHE  21  12.537   2.274 -17.707
  173    HE1  PHE  21           HE1      PHE  21  11.648   7.162 -17.691
  174    HE2  PHE  21           HE2      PHE  21  13.334   3.652 -19.564
  175    HZ   PHE  21           HZ       PHE  21  12.834   6.102 -19.615
  176    H    ALA  22           H        ALA  22  11.506   1.397 -12.710
  177    HA   ALA  22           HA       ALA  22   8.851   2.037 -12.048
  178    HB1  ALA  22           HB1      ALA  22   9.810  -0.263 -12.015
  179    HB2  ALA  22           HB2      ALA  22  10.771   0.147 -10.584
  180    HB3  ALA  22           HB3      ALA  22   9.001   0.115 -10.472
  181    H    LYS  23           H        LYS  23  11.919   2.774 -10.365
  182    HA   LYS  23           HA       LYS  23  10.665   3.771  -7.987
  183    HB2  LYS  23           HB2      LYS  23  12.787   4.202  -7.300
  184    HB3  LYS  23           HB3      LYS  23  13.195   3.171  -8.654
  185    HG2  LYS  23           HG2      LYS  23  13.287   5.633  -9.894
  186    HG3  LYS  23           HG3      LYS  23  13.601   6.110  -8.236
  187    HD2  LYS  23           HD2      LYS  23  15.225   4.468 -10.156
  188    HD3  LYS  23           HD3      LYS  23  15.717   5.848  -9.194
  189    HE2  LYS  23           HE2      LYS  23  15.576   4.424  -7.094
  190    HE3  LYS  23           HE3      LYS  23  15.167   3.036  -8.111
  191    HZ1  LYS  23           HZ1      LYS  23  17.395   3.524  -9.268
  192    HZ2  LYS  23           HZ2      LYS  23  17.771   4.441  -7.970
  193    HZ3  LYS  23           HZ3      LYS  23  17.448   2.869  -7.746
  194    H    THR  24           H        THR  24  11.337   5.241 -11.158
  195    HA   THR  24           HA       THR  24  10.765   7.912 -10.433
  196    HB   THR  24           HB       THR  24  11.206   6.299 -12.919
  197    HG1  THR  24           HG1      THR  24  12.638   8.435 -11.698
  198   HG21  THR  24          HG21      THR  24  11.326   8.373 -14.229
  199   HG22  THR  24          HG22      THR  24   9.695   7.871 -13.761
  200   HG23  THR  24          HG23      THR  24  10.485   9.223 -12.897
  201    H    LEU  25           H        LEU  25   8.910   5.501 -12.275
  202    HA   LEU  25           HA       LEU  25   6.573   7.191 -12.551
  203    HB2  LEU  25           HB2      LEU  25   7.077   4.223 -12.978
  204    HB3  LEU  25           HB3      LEU  25   5.607   5.041 -13.519
  205    HG   LEU  25           HG       LEU  25   8.410   5.801 -14.451
  206   HD11  LEU  25          HD11      LEU  25   6.444   3.823 -15.660
  207   HD12  LEU  25          HD12      LEU  25   7.894   4.452 -16.488
  208   HD13  LEU  25          HD13      LEU  25   8.060   3.488 -15.015
  209   HD21  LEU  25          HD21      LEU  25   7.202   6.812 -16.363
  210   HD22  LEU  25          HD22      LEU  25   5.645   6.378 -15.618
  211   HD23  LEU  25          HD23      LEU  25   6.725   7.553 -14.835
  212    H    GLY  26           H        GLY  26   7.530   4.498 -10.420
  213    HA2  GLY  26           HA2      GLY  26   4.956   4.274  -9.098
  214    HA3  GLY  26           HA3      GLY  26   6.457   3.387  -8.792
  215    H    ALA  27           H        ALA  27   7.262   6.660  -8.778
  216    HA   ALA  27           HA       ALA  27   8.024   6.775  -6.121
  217    HB1  ALA  27           HB1      ALA  27   8.171   9.232  -6.463
  218    HB2  ALA  27           HB2      ALA  27   8.821   8.353  -7.857
  219    HB3  ALA  27           HB3      ALA  27   7.210   9.092  -7.945
  220    H    GLY  28           H        GLY  28   7.006   7.105  -4.227
  221    HA2  GLY  28           HA2      GLY  28   5.435   7.646  -2.668
  222    HA3  GLY  28           HA3      GLY  28   4.558   8.584  -3.885
  223    H    LYS  29           H        LYS  29   4.999   5.375  -5.010
  224    HA   LYS  29           HA       LYS  29   2.283   4.563  -4.009
  225    HB2  LYS  29           HB2      LYS  29   3.395   3.950  -6.777
  226    HB3  LYS  29           HB3      LYS  29   1.749   3.703  -6.196
  227    HG2  LYS  29           HG2      LYS  29   1.373   6.135  -6.144
  228    HG3  LYS  29           HG3      LYS  29   3.065   6.420  -6.566
  229    HD2  LYS  29           HD2      LYS  29   2.665   5.111  -8.736
  230    HD3  LYS  29           HD3      LYS  29   0.951   5.137  -8.314
  231    HE2  LYS  29           HE2      LYS  29   1.284   6.961  -9.793
  232    HE3  LYS  29           HE3      LYS  29   1.082   7.655  -8.181
  233    HZ1  LYS  29           HZ1      LYS  29   3.538   7.926  -8.088
  234    HZ2  LYS  29           HZ2      LYS  29   3.679   7.300  -9.621
  235    HZ3  LYS  29           HZ3      LYS  29   2.896   8.711  -9.367
  236    H    ILE  30           H        ILE  30   5.387   3.347  -5.386
  237    HA   ILE  30           HA       ILE  30   4.962   0.825  -3.892
  238    HB   ILE  30           HB       ILE  30   5.367  -0.496  -5.908
  239   HG12  ILE  30          HG12      ILE  30   5.335   2.163  -7.383
  240   HG13  ILE  30          HG13      ILE  30   6.706   1.052  -7.240
  241   HG21  ILE  30          HG21      ILE  30   3.013   0.263  -5.205
  242   HG22  ILE  30          HG22      ILE  30   3.084   1.426  -6.546
  243   HG23  ILE  30          HG23      ILE  30   3.191  -0.308  -6.872
  244   HD11  ILE  30          HD11      ILE  30   4.159   0.695  -8.887
  245   HD12  ILE  30          HD12      ILE  30   5.862   0.729  -9.412
  246   HD13  ILE  30          HD13      ILE  30   5.243  -0.656  -8.496
  247    H    ALA  31           H        ALA  31   6.831  -0.404  -3.558
  248    HA   ALA  31           HA       ALA  31   9.389   1.151  -3.521
  249    HB1  ALA  31           HB1      ALA  31   8.589  -1.315  -1.894
  250    HB2  ALA  31           HB2      ALA  31  10.115  -0.449  -1.782
  251    HB3  ALA  31           HB3      ALA  31   8.605   0.363  -1.286
  252    H    VAL  32           H        VAL  32  11.359  -0.251  -4.079
  253    HA   VAL  32           HA       VAL  32  10.755  -2.466  -5.969
  254    HB   VAL  32           HB       VAL  32  12.435  -0.042  -6.696
  255   HG11  VAL  32          HG11      VAL  32  11.243  -2.345  -8.319
  256   HG12  VAL  32          HG12      VAL  32  12.177  -0.983  -8.982
  257   HG13  VAL  32          HG13      VAL  32  12.953  -2.144  -7.896
  258   HG21  VAL  32          HG21      VAL  32  10.161   0.848  -6.591
  259   HG22  VAL  32          HG22      VAL  32  10.644   0.661  -8.264
  260   HG23  VAL  32          HG23      VAL  32   9.538  -0.529  -7.534
  261    H    THR  33           H        THR  33  12.273  -4.036  -5.786
  262    HA   THR  33           HA       THR  33  14.946  -3.438  -4.724
  263    HB   THR  33           HB       THR  33  13.151  -5.664  -3.750
  264    HG1  THR  33           HG1      THR  33  13.451  -3.102  -2.554
  265   HG21  THR  33          HG21      THR  33  15.630  -5.874  -3.357
  266   HG22  THR  33          HG22      THR  33  15.589  -4.376  -2.412
  267   HG23  THR  33          HG23      THR  33  14.700  -5.813  -1.856
  268    H    SER  34           H        SER  34  16.024  -4.071  -6.666
  269    HA   SER  34           HA       SER  34  15.161  -6.585  -7.898
  270    HB2  SER  34           HB2      SER  34  17.311  -4.621  -8.744
  271    HB3  SER  34           HB3      SER  34  16.819  -6.071  -9.648
  272    HG   SER  34           HG       SER  34  15.655  -4.393 -10.422
  273    H    SER  35           H        SER  35  15.637  -7.726  -5.853
  274    HA   SER  35           HA       SER  35  18.323  -8.532  -5.231
  275    HB2  SER  35           HB2      SER  35  15.777 -10.103  -4.816
  276    HB3  SER  35           HB3      SER  35  17.234 -10.072  -3.796
  277    HG   SER  35           HG       SER  35  15.528  -8.791  -2.891
  278    H    GLY  36           H        GLY  36  18.765 -11.152  -5.418
  279    HA2  GLY  36           HA2      GLY  36  17.801 -12.467  -7.770
  280    HA3  GLY  36           HA3      GLY  36  19.430 -11.779  -7.992
  281    H    LEU  37           H        LEU  37  19.876 -14.264  -8.094
  282    HA   LEU  37           HA       LEU  37  20.467 -15.252  -5.386
  283    HB2  LEU  37           HB2      LEU  37  19.370 -16.588  -7.844
  284    HB3  LEU  37           HB3      LEU  37  20.152 -17.564  -6.590
  285    HG   LEU  37           HG       LEU  37  17.958 -15.610  -5.888
  286   HD11  LEU  37          HD11      LEU  37  17.494 -18.498  -6.751
  287   HD12  LEU  37          HD12      LEU  37  16.247 -17.357  -6.165
  288   HD13  LEU  37          HD13      LEU  37  17.090 -17.056  -7.696
  289   HD21  LEU  37          HD21      LEU  37  17.569 -17.297  -4.035
  290   HD22  LEU  37          HD22      LEU  37  18.977 -18.194  -4.618
  291   HD23  LEU  37          HD23      LEU  37  19.176 -16.546  -3.990
  292    H    GLU  38           H        GLU  38  21.831 -13.856  -7.787
  293    HA   GLU  38           HA       GLU  38  24.496 -14.881  -7.446
  294    HB2  GLU  38           HB2      GLU  38  23.060 -14.955 -10.160
  295    HB3  GLU  38           HB3      GLU  38  24.815 -14.802 -10.056
  296    HG2  GLU  38           HG2      GLU  38  24.930 -16.831  -8.692
  297    HG3  GLU  38           HG3      GLU  38  23.189 -17.075  -8.953
  298    H    SER  39           H        SER  39  25.498 -13.190  -9.567
  299    HA   SER  39           HA       SER  39  25.849 -11.117 -10.288
  300    HB2  SER  39           HB2      SER  39  23.066 -10.405  -9.310
  301    HB3  SER  39           HB3      SER  39  24.005  -9.646 -10.603
  302    HG   SER  39           HG       SER  39  22.687 -12.136 -10.532
  303    H    SER  40           H        SER  40  25.598  -8.702  -9.748
  304    HA   SER  40           HA       SER  40  26.593  -8.187  -7.003
  305    HB2  SER  40           HB2      SER  40  28.125  -8.223  -9.607
  306    HB3  SER  40           HB3      SER  40  28.667  -7.184  -8.246
  307    HG   SER  40           HG       SER  40  29.671  -9.263  -8.251
  308    H    ARG  41           H        ARG  41  26.725  -6.477 -10.181
  309    HA   ARG  41           HA       ARG  41  24.795  -4.447  -9.258
  310    HB2  ARG  41           HB2      ARG  41  27.592  -4.135  -8.707
  311    HB3  ARG  41           HB3      ARG  41  27.310  -3.152 -10.143
  312    HG2  ARG  41           HG2      ARG  41  25.479  -1.955  -8.985
  313    HG3  ARG  41           HG3      ARG  41  25.678  -3.011  -7.570
  314    HD2  ARG  41           HD2      ARG  41  27.918  -2.175  -7.173
  315    HD3  ARG  41           HD3      ARG  41  27.857  -1.173  -8.642
  316    HE   ARG  41           HE       ARG  41  25.665  -0.293  -7.322
  317   HH11  ARG  41          HH21      ARG  41  29.001  -0.722  -6.131
  318   HH12  ARG  41          HH22      ARG  41  28.916   0.608  -5.033
  319   HH21  ARG  41          HH11      ARG  41  25.608   1.496  -6.018
  320   HH22  ARG  41          HH12      ARG  41  26.903   1.907  -4.927
  321    H    VAL  42           H        VAL  42  24.676  -2.642 -10.892
  322    HA   VAL  42           HA       VAL  42  24.147  -3.782 -13.487
  323    HB   VAL  42           HB       VAL  42  23.134  -1.755 -13.942
  324   HG11  VAL  42          HG11      VAL  42  21.978  -3.076 -12.172
  325   HG12  VAL  42          HG12      VAL  42  22.666  -1.976 -10.952
  326   HG13  VAL  42          HG13      VAL  42  21.562  -1.360 -12.182
  327   HG21  VAL  42          HG21      VAL  42  24.790  -0.466 -11.751
  328   HG22  VAL  42          HG22      VAL  42  24.707  -0.070 -13.496
  329   HG23  VAL  42          HG23      VAL  42  23.349   0.307 -12.438
  330    H    HIS  43           H        HIS  43  24.957  -2.475 -15.515
  331    HA   HIS  43           HA       HIS  43  27.905  -2.346 -15.262
  332    HB2  HIS  43           HB2      HIS  43  26.012  -3.328 -17.289
  333    HB3  HIS  43           HB3      HIS  43  27.253  -2.315 -17.976
  334    HD1  HIS  43           HD1      HIS  43  28.342  -4.502 -19.130
  335    HD2  HIS  43           HD2      HIS  43  28.250  -4.510 -14.919
  336    HE1  HIS  43           HE1      HIS  43  30.009  -6.279 -18.372
  337    HA   PRO  44           HA       PRO  44  28.639   1.767 -15.469
  338    HB2  PRO  44           HB2      PRO  44  30.507   2.258 -17.453
  339    HB3  PRO  44           HB3      PRO  44  30.856   1.409 -15.920
  340    HG2  PRO  44           HG2      PRO  44  30.126   0.147 -18.605
  341    HG3  PRO  44           HG3      PRO  44  31.529  -0.239 -17.545
  342    HD2  PRO  44           HD2      PRO  44  29.346  -1.731 -17.412
  343    HD3  PRO  44           HD3      PRO  44  30.094  -1.197 -15.878
  344    H    THR  45           H        THR  45  28.413   0.987 -19.035
  345    HA   THR  45           HA       THR  45  27.550   3.557 -19.712
  346    HB   THR  45           HB       THR  45  26.945   1.079 -21.255
  347    HG1  THR  45           HG1      THR  45  29.065   1.197 -22.027
  348   HG21  THR  45          HG21      THR  45  27.614   3.930 -22.128
  349   HG22  THR  45          HG22      THR  45  27.412   2.548 -23.230
  350   HG23  THR  45          HG23      THR  45  26.040   3.128 -22.281
  351    H    ALA  46           H        ALA  46  25.659   0.833 -18.453
  352    HA   ALA  46           HA       ALA  46  23.084   1.693 -19.228
  353    HB1  ALA  46           HB1      ALA  46  23.601  -0.484 -17.974
  354    HB2  ALA  46           HB2      ALA  46  23.815   0.479 -16.482
  355    HB3  ALA  46           HB3      ALA  46  22.250   0.436 -17.277
  356    H    ILE  47           H        ILE  47  25.031   2.552 -16.370
  357    HA   ILE  47           HA       ILE  47  23.014   4.173 -15.228
  358    HB   ILE  47           HB       ILE  47  26.090   4.315 -15.027
  359   HG12  ILE  47          HG12      ILE  47  24.279   3.082 -12.938
  360   HG13  ILE  47          HG13      ILE  47  24.849   2.133 -14.307
  361   HG21  ILE  47          HG21      ILE  47  25.724   5.453 -12.803
  362   HG22  ILE  47          HG22      ILE  47  25.271   6.419 -14.209
  363   HG23  ILE  47          HG23      ILE  47  24.011   5.624 -13.247
  364   HD11  ILE  47          HD11      ILE  47  26.637   3.494 -12.258
  365   HD12  ILE  47          HD12      ILE  47  26.263   1.771 -12.358
  366   HD13  ILE  47          HD13      ILE  47  27.188   2.547 -13.657
  367    H    ALA  48           H        ALA  48  25.640   4.999 -17.524
  368    HA   ALA  48           HA       ALA  48  25.199   7.793 -17.436
  369    HB1  ALA  48           HB1      ALA  48  26.409   7.851 -19.599
  370    HB2  ALA  48           HB2      ALA  48  27.223   6.780 -18.446
  371    HB3  ALA  48           HB3      ALA  48  26.233   6.092 -19.756
  372    H    MET  49           H        MET  49  23.689   5.233 -19.418
  373    HA   MET  49           HA       MET  49  22.133   7.067 -21.063
  374    HB2  MET  49           HB2      MET  49  21.929   4.077 -20.546
  375    HB3  MET  49           HB3      MET  49  21.045   4.962 -21.801
  376    HG2  MET  49           HG2      MET  49  24.094   4.887 -21.584
  377    HG3  MET  49           HG3      MET  49  23.177   3.831 -22.593
  378    HE1  MET  49           HE1      MET  49  24.837   7.812 -23.561
  379    HE2  MET  49           HE2      MET  49  24.303   7.489 -21.895
  380    HE3  MET  49           HE3      MET  49  25.465   6.396 -22.683
  381    H    MET  50           H        MET  50  21.630   5.286 -18.064
  382    HA   MET  50           HA       MET  50  18.788   5.838 -18.025
  383    HB2  MET  50           HB2      MET  50  20.580   4.864 -15.787
  384    HB3  MET  50           HB3      MET  50  18.818   4.861 -15.803
  385    HG2  MET  50           HG2      MET  50  20.686   2.917 -16.903
  386    HG3  MET  50           HG3      MET  50  19.015   2.712 -16.506
  387    HE1  MET  50           HE1      MET  50  20.926   1.373 -19.053
  388    HE2  MET  50           HE2      MET  50  19.338   0.771 -18.555
  389    HE3  MET  50           HE3      MET  50  19.622   1.233 -20.255
  390    H    GLU  51           H        GLU  51  21.755   7.369 -16.831
  391    HA   GLU  51           HA       GLU  51  20.426   9.502 -15.518
  392    HB2  GLU  51           HB2      GLU  51  22.721   8.818 -15.005
  393    HB3  GLU  51           HB3      GLU  51  23.253   9.317 -16.614
  394    HG2  GLU  51           HG2      GLU  51  22.722  11.654 -16.098
  395    HG3  GLU  51           HG3      GLU  51  21.991  11.174 -14.558
  396    H    GLU  52           H        GLU  52  21.023   8.808 -18.942
  397    HA   GLU  52           HA       GLU  52  20.606  11.506 -19.811
  398    HB2  GLU  52           HB2      GLU  52  19.741   9.015 -21.327
  399    HB3  GLU  52           HB3      GLU  52  19.729  10.648 -21.932
  400    HG2  GLU  52           HG2      GLU  52  22.170  10.818 -21.665
  401    HG3  GLU  52           HG3      GLU  52  22.226   9.137 -21.157
  402    H    VAL  53           H        VAL  53  18.445   8.859 -18.855
  403    HA   VAL  53           HA       VAL  53  16.142  10.732 -19.095
  404    HB   VAL  53           HB       VAL  53  15.922   8.475 -19.999
  405   HG11  VAL  53          HG11      VAL  53  16.975   7.068 -18.363
  406   HG12  VAL  53          HG12      VAL  53  15.846   7.586 -17.101
  407   HG13  VAL  53          HG13      VAL  53  15.269   6.612 -18.460
  408   HG21  VAL  53          HG21      VAL  53  13.815   9.052 -17.908
  409   HG22  VAL  53          HG22      VAL  53  13.991   9.959 -19.423
  410   HG23  VAL  53          HG23      VAL  53  13.633   8.231 -19.468
  411    H    GLY  54           H        GLY  54  18.484  10.795 -17.045
  412    HA2  GLY  54           HA2      GLY  54  18.700  11.816 -15.035
  413    HA3  GLY  54           HA3      GLY  54  16.956  12.115 -15.036
  414    H    ILE  55           H        ILE  55  17.971   8.787 -15.299
  415    HA   ILE  55           HA       ILE  55  16.869   8.262 -12.611
  416    HB   ILE  55           HB       ILE  55  16.989   6.720 -15.144
  417   HG12  ILE  55          HG12      ILE  55  14.877   7.858 -13.303
  418   HG13  ILE  55          HG13      ILE  55  15.126   8.170 -15.013
  419   HG21  ILE  55          HG21      ILE  55  16.196   5.485 -12.488
  420   HG22  ILE  55          HG22      ILE  55  16.101   4.726 -14.103
  421   HG23  ILE  55          HG23      ILE  55  17.662   5.077 -13.415
  422   HD11  ILE  55          HD11      ILE  55  13.147   6.855 -14.790
  423   HD12  ILE  55          HD12      ILE  55  14.383   5.755 -15.440
  424   HD13  ILE  55          HD13      ILE  55  13.965   5.725 -13.694
  425    H    ASP  56           H        ASP  56  17.792   6.985 -11.131
  426    HA   ASP  56           HA       ASP  56  20.688   6.355 -11.356
  427    HB2  ASP  56           HB2      ASP  56  20.417   7.500  -9.366
  428    HB3  ASP  56           HB3      ASP  56  18.773   6.897  -9.106
  429    H    ILE  57           H        ILE  57  21.326   4.297 -11.351
  430    HA   ILE  57           HA       ILE  57  19.524   2.092 -10.605
  431    HB   ILE  57           HB       ILE  57  20.578   0.704 -12.464
  432   HG12  ILE  57          HG12      ILE  57  20.830   3.320 -13.980
  433   HG13  ILE  57          HG13      ILE  57  22.177   2.662 -13.063
  434   HG21  ILE  57          HG21      ILE  57  18.848   1.246 -14.131
  435   HG22  ILE  57          HG22      ILE  57  18.197   1.144 -12.502
  436   HG23  ILE  57          HG23      ILE  57  18.465   2.748 -13.243
  437   HD11  ILE  57          HD11      ILE  57  21.913   0.484 -14.298
  438   HD12  ILE  57          HD12      ILE  57  20.786   1.348 -15.366
  439   HD13  ILE  57          HD13      ILE  57  22.462   1.874 -15.240
  440    H    SER  58           H        SER  58  22.768   3.400 -11.184
  441    HA   SER  58           HA       SER  58  24.568   1.733 -10.190
  442    HB2  SER  58           HB2      SER  58  24.685   4.370  -8.888
  443    HB3  SER  58           HB3      SER  58  25.752   3.693 -10.127
  444    HG   SER  58           HG       SER  58  24.487   5.637 -10.686
  445    H    GLY  59           H        GLY  59  22.169   3.437  -8.152
  446    HA2  GLY  59           HA2      GLY  59  23.190   2.710  -5.620
  447    HA3  GLY  59           HA3      GLY  59  21.523   3.160  -5.996
  448    H    GLN  60           H        GLN  60  21.730   0.548  -7.935
  449    HA   GLN  60           HA       GLN  60  20.440  -1.281  -6.132
  450    HB2  GLN  60           HB2      GLN  60  21.550  -1.522  -8.943
  451    HB3  GLN  60           HB3      GLN  60  20.771  -2.850  -8.104
  452    HG2  GLN  60           HG2      GLN  60  18.652  -1.785  -8.061
  453    HG3  GLN  60           HG3      GLN  60  19.341  -0.179  -8.349
  454   HE21  GLN  60          HE22      GLN  60  19.455  -3.408 -10.148
  455   HE22  GLN  60          HE21      GLN  60  18.996  -2.641 -11.643
  456    H    THR  61           H        THR  61  21.273  -3.341  -5.531
  457    HA   THR  61           HA       THR  61  23.834  -4.220  -6.321
  458    HB   THR  61           HB       THR  61  24.087  -4.924  -3.787
  459    HG1  THR  61           HG1      THR  61  23.316  -3.462  -2.295
  460   HG21  THR  61          HG21      THR  61  25.604  -3.069  -3.329
  461   HG22  THR  61          HG22      THR  61  25.708  -3.483  -5.047
  462   HG23  THR  61          HG23      THR  61  24.781  -2.054  -4.531
  463    H    SER  62           H        SER  62  23.863  -6.576  -5.981
  464    HA   SER  62           HA       SER  62  21.127  -7.651  -6.320
  465    HB2  SER  62           HB2      SER  62  23.881  -8.738  -6.902
  466    HB3  SER  62           HB3      SER  62  22.346  -9.550  -7.291
  467    HG   SER  62           HG       SER  62  23.068  -6.951  -8.261
  468    H    ASP  63           H        ASP  63  20.730  -7.363  -3.975
  469    HA   ASP  63           HA       ASP  63  22.091  -9.002  -2.024
  470    HB2  ASP  63           HB2      ASP  63  19.482  -7.541  -2.150
  471    HB3  ASP  63           HB3      ASP  63  19.578  -8.905  -1.017
  472    HA   PRO  64           HA       PRO  64  20.284 -12.981  -3.074
  473    HB2  PRO  64           HB2      PRO  64  19.757 -13.355  -0.145
  474    HB3  PRO  64           HB3      PRO  64  20.638 -14.422  -1.273
  475    HG2  PRO  64           HG2      PRO  64  21.924 -12.879   0.597
  476    HG3  PRO  64           HG3      PRO  64  22.627 -13.177  -1.030
  477    HD2  PRO  64           HD2      PRO  64  21.149 -10.742  -0.023
  478    HD3  PRO  64           HD3      PRO  64  22.597 -10.848  -1.071
  479    H    ILE  65           H        ILE  65  18.134 -13.262  -3.721
  480    HA   ILE  65           HA       ILE  65  16.000 -11.649  -2.775
  481    HB   ILE  65           HB       ILE  65  16.311 -13.050  -4.914
  482   HG12  ILE  65          HG12      ILE  65  13.595 -13.026  -3.603
  483   HG13  ILE  65          HG13      ILE  65  14.346 -11.646  -4.382
  484   HG21  ILE  65          HG21      ILE  65  16.613 -15.245  -3.751
  485   HG22  ILE  65          HG22      ILE  65  14.874 -15.221  -3.374
  486   HG23  ILE  65          HG23      ILE  65  15.421 -15.258  -5.058
  487   HD11  ILE  65          HD11      ILE  65  14.437 -12.976  -6.536
  488   HD12  ILE  65          HD12      ILE  65  13.450 -14.217  -5.731
  489   HD13  ILE  65          HD13      ILE  65  12.806 -12.584  -5.960
  490    H    GLU  66           H        GLU  66  17.557 -14.394  -1.428
  491    HA   GLU  66           HA       GLU  66  15.505 -15.498   0.147
  492    HB2  GLU  66           HB2      GLU  66  17.353 -16.818  -0.619
  493    HB3  GLU  66           HB3      GLU  66  18.520 -15.547  -0.189
  494    HG2  GLU  66           HG2      GLU  66  18.358 -15.955   2.080
  495    HG3  GLU  66           HG3      GLU  66  16.972 -17.058   1.894
  496    H    ASN  67           H        ASN  67  17.651 -12.769   0.385
  497    HA   ASN  67           HA       ASN  67  17.834 -12.372   3.199
  498    HB2  ASN  67           HB2      ASN  67  19.143 -11.216   1.314
  499    HB3  ASN  67           HB3      ASN  67  17.725 -10.190   1.099
  500   HD21  ASN  67          HD22      ASN  67  20.296 -11.163   3.389
  501   HD22  ASN  67          HD21      ASN  67  20.176  -9.743   4.402
  502    H    PHE  68           H        PHE  68  15.141 -12.197   1.073
  503    HA   PHE  68           HA       PHE  68  13.438 -10.752   3.026
  504    HB2  PHE  68           HB2      PHE  68  13.013 -10.673   0.024
  505    HB3  PHE  68           HB3      PHE  68  12.306  -9.638   1.251
  506    HD1  PHE  68           HD1      PHE  68  15.283 -10.391  -0.766
  507    HD2  PHE  68           HD2      PHE  68  13.529  -7.642   2.033
  508    HE1  PHE  68           HE1      PHE  68  17.127  -8.756  -1.219
  509    HE2  PHE  68           HE2      PHE  68  15.332  -5.992   1.559
  510    HZ   PHE  68           HZ       PHE  68  17.140  -6.553  -0.063
  511    H    ASN  69           H        ASN  69  11.003 -11.355   2.369
  512    HA   ASN  69           HA       ASN  69  10.856 -13.946   1.101
  513    HB2  ASN  69           HB2      ASN  69   9.098 -14.589   2.557
  514    HB3  ASN  69           HB3      ASN  69  10.508 -14.099   3.547
  515   HD21  ASN  69          HD22      ASN  69   7.217 -14.010   3.658
  516   HD22  ASN  69          HD21      ASN  69   6.995 -12.488   4.484
  517    H    ALA  70           H        ALA  70   8.788 -14.321  -0.099
  518    HA   ALA  70           HA       ALA  70   8.417 -11.834  -1.473
  519    HB1  ALA  70           HB1      ALA  70   7.603 -13.095  -3.288
  520    HB2  ALA  70           HB2      ALA  70   8.771 -14.216  -2.566
  521    HB3  ALA  70           HB3      ALA  70   7.047 -14.410  -2.231
  522    H    ASP  71           H        ASP  71   6.806 -14.049   0.706
  523    HA   ASP  71           HA       ASP  71   4.230 -13.255   0.148
  524    HB2  ASP  71           HB2      ASP  71   4.719 -15.223   1.515
  525    HB3  ASP  71           HB3      ASP  71   5.370 -14.216   2.803
  526    H    ASP  72           H        ASP  72   6.727 -11.417   1.697
  527    HA   ASP  72           HA       ASP  72   4.965  -9.509   3.007
  528    HB2  ASP  72           HB2      ASP  72   7.114 -10.044   4.046
  529    HB3  ASP  72           HB3      ASP  72   7.958  -9.529   2.574
  530    H    TYR  73           H        TYR  73   6.689 -10.000   0.015
  531    HA   TYR  73           HA       TYR  73   6.441  -7.286  -0.973
  532    HB2  TYR  73           HB2      TYR  73   7.548  -9.871  -2.061
  533    HB3  TYR  73           HB3      TYR  73   7.118  -8.588  -3.175
  534    HD1  TYR  73           HD1      TYR  73   9.005  -8.959   0.089
  535    HD2  TYR  73           HD2      TYR  73   8.770  -7.038  -3.773
  536    HE1  TYR  73           HE1      TYR  73  10.978  -7.591   0.654
  537    HE2  TYR  73           HE2      TYR  73  10.750  -5.663  -3.212
  538    HH   TYR  73           HH       TYR  73  12.306  -5.089  -1.541
  539    H    ASP  74           H        ASP  74   5.351  -7.134  -3.273
  540    HA   ASP  74           HA       ASP  74   2.643  -8.421  -3.113
  541    HB2  ASP  74           HB2      ASP  74   2.512  -6.085  -2.393
  542    HB3  ASP  74           HB3      ASP  74   3.325  -5.572  -3.874
  543    H    VAL  75           H        VAL  75   5.252  -7.070  -5.207
  544    HA   VAL  75           HA       VAL  75   4.105  -8.574  -7.472
  545    HB   VAL  75           HB       VAL  75   3.152  -6.525  -7.771
  546   HG11  VAL  75          HG11      VAL  75   5.522  -4.982  -6.864
  547   HG12  VAL  75          HG12      VAL  75   4.056  -4.307  -7.577
  548   HG13  VAL  75          HG13      VAL  75   3.974  -5.145  -6.036
  549   HG21  VAL  75          HG21      VAL  75   4.360  -7.220  -9.787
  550   HG22  VAL  75          HG22      VAL  75   4.264  -5.444  -9.668
  551   HG23  VAL  75          HG23      VAL  75   5.774  -6.294  -9.283
  552    H    VAL  76           H        VAL  76   5.562  -9.498  -8.841
  553    HA   VAL  76           HA       VAL  76   8.424  -8.811  -8.582
  554    HB   VAL  76           HB       VAL  76   7.141 -11.501  -8.136
  555   HG11  VAL  76          HG11      VAL  76   9.465 -12.418  -7.830
  556   HG12  VAL  76          HG12      VAL  76   9.138 -11.899  -9.479
  557   HG13  VAL  76          HG13      VAL  76  10.124 -10.877  -8.407
  558   HG21  VAL  76          HG21      VAL  76   7.316 -10.003  -6.054
  559   HG22  VAL  76          HG22      VAL  76   8.110 -11.542  -5.936
  560   HG23  VAL  76          HG23      VAL  76   9.074 -10.076  -6.221
  561    H    ILE  77           H        ILE  77   9.428  -9.003 -10.523
  562    HA   ILE  77           HA       ILE  77   7.822  -9.898 -12.864
  563    HB   ILE  77           HB       ILE  77   9.758  -7.571 -12.522
  564   HG12  ILE  77          HG12      ILE  77   7.757  -7.038 -11.266
  565   HG13  ILE  77          HG13      ILE  77   7.913  -6.025 -12.676
  566   HG21  ILE  77          HG21      ILE  77   8.113  -8.431 -14.921
  567   HG22  ILE  77          HG22      ILE  77   8.869  -6.826 -14.753
  568   HG23  ILE  77          HG23      ILE  77   9.888  -8.268 -14.773
  569   HD11  ILE  77          HD11      ILE  77   5.583  -6.834 -12.183
  570   HD12  ILE  77          HD12      ILE  77   6.143  -7.190 -13.824
  571   HD13  ILE  77          HD13      ILE  77   6.090  -8.475 -12.593
  572    H    SER  78           H        SER  78   8.835 -11.615 -13.842
  573    HA   SER  78           HA       SER  78  11.795 -11.766 -13.614
  574    HB2  SER  78           HB2      SER  78   9.807 -13.864 -14.499
  575    HB3  SER  78           HB3      SER  78  11.577 -14.032 -14.534
  576    HG   SER  78           HG       SER  78  11.643 -13.879 -12.293
  577    H    LEU  79           H        LEU  79  12.308 -10.125 -14.957
  578    HA   LEU  79           HA       LEU  79  10.891  -9.786 -17.455
  579    HB2  LEU  79           HB2      LEU  79  12.646  -7.936 -17.872
  580    HB3  LEU  79           HB3      LEU  79  11.378  -7.732 -16.688
  581    HG   LEU  79           HG       LEU  79  12.840  -8.056 -14.850
  582   HD11  LEU  79          HD11      LEU  79  14.378  -9.767 -15.641
  583   HD12  LEU  79          HD12      LEU  79  14.980  -8.709 -16.932
  584   HD13  LEU  79          HD13      LEU  79  15.338  -8.352 -15.213
  585   HD21  LEU  79          HD21      LEU  79  14.338  -6.121 -15.172
  586   HD22  LEU  79          HD22      LEU  79  14.145  -6.237 -16.940
  587   HD23  LEU  79          HD23      LEU  79  12.756  -5.823 -15.910
  588    H    CYS  80           H        CYS  80  13.221 -11.947 -16.669
  589    HA   CYS  80           HA       CYS  80  13.273 -13.001 -19.229
  590    HB2  CYS  80           HB2      CYS  80  15.744 -13.085 -19.616
  591    HB3  CYS  80           HB3      CYS  80  14.973 -11.554 -19.940
  592    H    GLY  81           H        GLY  81  14.563 -15.112 -19.160
  593    HA2  GLY  81           HA2      GLY  81  15.460 -16.951 -18.116
  594    HA3  GLY  81           HA3      GLY  81  15.612 -16.029 -16.617
  595    H    SER  82           H        SER  82  13.665 -15.709 -15.347
  596    HA   SER  82           HA       SER  82  11.883 -16.316 -14.170
  597    HB2  SER  82           HB2      SER  82  10.729 -17.560 -16.675
  598    HB3  SER  82           HB3      SER  82   9.860 -16.913 -15.275
  599    HG   SER  82           HG       SER  82  10.050 -15.518 -17.191
  600    H    GLY  83           H        GLY  83  12.688 -19.198 -16.204
  601    HA2  GLY  83           HA2      GLY  83  12.249 -21.038 -13.941
  602    HA3  GLY  83           HA3      GLY  83  12.795 -21.439 -15.577
  603    H    VAL  84           H        VAL  84  13.949 -19.353 -12.849
  604    HA   VAL  84           HA       VAL  84  16.726 -20.030 -13.621
  605    HB   VAL  84           HB       VAL  84  17.389 -17.982 -12.436
  606   HG11  VAL  84          HG11      VAL  84  15.292 -17.665 -14.604
  607   HG12  VAL  84          HG12      VAL  84  16.497 -16.440 -14.150
  608   HG13  VAL  84          HG13      VAL  84  17.017 -17.982 -14.847
  609   HG21  VAL  84          HG21      VAL  84  15.723 -16.291 -11.830
  610   HG22  VAL  84          HG22      VAL  84  14.393 -17.418 -12.159
  611   HG23  VAL  84          HG23      VAL  84  15.544 -17.737 -10.833
  612    H    ASN  85           H        ASN  85  14.817 -21.590 -11.704
  613    HA   ASN  85           HA       ASN  85  14.986 -22.941  -9.908
  614    HB2  ASN  85           HB2      ASN  85  17.064 -23.770 -10.916
  615    HB3  ASN  85           HB3      ASN  85  17.982 -22.527 -10.056
  616   HD21  ASN  85          HD22      ASN  85  19.157 -24.503  -9.172
  617   HD22  ASN  85          HD21      ASN  85  18.467 -25.293  -7.774
  618    H    LEU  86           H        LEU  86  13.786 -21.191  -9.043
  619    HA   LEU  86           HA       LEU  86  15.066 -19.700  -6.840
  620    HB2  LEU  86           HB2      LEU  86  15.278 -18.161  -8.504
  621    HB3  LEU  86           HB3      LEU  86  13.920 -18.717  -9.428
  622    HG   LEU  86           HG       LEU  86  13.346 -17.331  -6.827
  623   HD11  LEU  86          HD11      LEU  86  13.380 -15.140  -8.047
  624   HD12  LEU  86          HD12      LEU  86  14.996 -15.841  -7.911
  625   HD13  LEU  86          HD13      LEU  86  14.111 -15.942  -9.452
  626   HD21  LEU  86          HD21      LEU  86  11.442 -16.470  -8.341
  627   HD22  LEU  86          HD22      LEU  86  12.076 -17.487  -9.633
  628   HD23  LEU  86          HD23      LEU  86  11.444 -18.237  -8.159
  629    HA   PRO  87           HA       PRO  87  11.701 -21.268  -4.800
  630    HB2  PRO  87           HB2      PRO  87  11.315 -18.791  -3.127
  631    HB3  PRO  87           HB3      PRO  87  11.504 -20.487  -2.607
  632    HG2  PRO  87           HG2      PRO  87  13.615 -18.793  -2.497
  633    HG3  PRO  87           HG3      PRO  87  13.832 -20.479  -3.066
  634    HD2  PRO  87           HD2      PRO  87  13.572 -17.962  -4.723
  635    HD3  PRO  87           HD3      PRO  87  14.724 -19.313  -4.883
  636    HA   PRO  88           HA       PRO  88   8.084 -20.413  -6.871
  637    HB2  PRO  88           HB2      PRO  88   6.041 -21.598  -5.425
  638    HB3  PRO  88           HB3      PRO  88   7.304 -22.497  -6.321
  639    HG2  PRO  88           HG2      PRO  88   7.272 -21.777  -3.370
  640    HG3  PRO  88           HG3      PRO  88   7.620 -23.372  -4.116
  641    HD2  PRO  88           HD2      PRO  88   9.628 -21.731  -3.359
  642    HD3  PRO  88           HD3      PRO  88   9.744 -22.645  -4.893
  643    H    GLU  89           H        GLU  89   7.696 -19.293  -3.465
  644    HA   GLU  89           HA       GLU  89   5.360 -17.811  -4.044
  645    HB2  GLU  89           HB2      GLU  89   5.740 -16.650  -1.936
  646    HB3  GLU  89           HB3      GLU  89   5.989 -18.390  -1.784
  647    HG2  GLU  89           HG2      GLU  89   8.439 -18.069  -1.799
  648    HG3  GLU  89           HG3      GLU  89   8.221 -16.344  -2.040
  649    H    TRP  90           H        TRP  90   8.470 -17.207  -5.252
  650    HA   TRP  90           HA       TRP  90   8.096 -14.306  -5.558
  651    HB2  TRP  90           HB2      TRP  90  10.159 -16.259  -6.601
  652    HB3  TRP  90           HB3      TRP  90  10.208 -14.521  -6.896
  653    HD1  TRP  90           HD1      TRP  90  11.323 -17.067  -4.456
  654    HE1  TRP  90           HE1      TRP  90  12.200 -16.029  -2.277
  655    HE3  TRP  90           HE3      TRP  90   9.958 -12.269  -5.314
  656    HZ2  TRP  90           HZ2      TRP  90  12.065 -13.418  -0.970
  657    HZ3  TRP  90           HZ3      TRP  90  10.129 -10.551  -3.541
  658    HH2  TRP  90           HH2      TRP  90  11.189 -11.101  -1.373
  659    H    VAL  91           H        VAL  91   7.624 -17.269  -7.470
  660    HA   VAL  91           HA       VAL  91   6.899 -15.699  -9.814
  661    HB   VAL  91           HB       VAL  91   6.832 -17.914 -10.944
  662   HG11  VAL  91          HG11      VAL  91   9.276 -18.134 -11.098
  663   HG12  VAL  91          HG12      VAL  91   8.810 -16.429 -11.065
  664   HG13  VAL  91          HG13      VAL  91   9.467 -17.188  -9.608
  665   HG21  VAL  91          HG21      VAL  91   7.850 -19.861  -9.965
  666   HG22  VAL  91          HG22      VAL  91   8.217 -18.987  -8.470
  667   HG23  VAL  91          HG23      VAL  91   6.522 -19.350  -8.906
  668    H    THR  92           H        THR  92   5.290 -16.873  -7.104
  669    HA   THR  92           HA       THR  92   2.770 -16.287  -8.523
  670    HB   THR  92           HB       THR  92   2.666 -18.619  -8.444
  671    HG1  THR  92           HG1      THR  92   0.724 -17.848  -7.847
  672   HG21  THR  92          HG21      THR  92   3.709 -18.520  -5.616
  673   HG22  THR  92          HG22      THR  92   2.806 -19.919  -6.248
  674   HG23  THR  92          HG23      THR  92   4.305 -19.411  -7.029
  675    H    GLN  93           H        GLN  93   2.999 -14.292  -7.932
  676    HA   GLN  93           HA       GLN  93   2.773 -13.469  -5.110
  677    HB2  GLN  93           HB2      GLN  93   3.803 -12.194  -7.665
  678    HB3  GLN  93           HB3      GLN  93   3.326 -11.170  -6.318
  679    HG2  GLN  93           HG2      GLN  93   5.381 -13.391  -6.045
  680    HG3  GLN  93           HG3      GLN  93   5.750 -11.731  -6.489
  681   HE21  GLN  93          HE22      GLN  93   4.995 -13.814  -3.794
  682   HE22  GLN  93          HE21      GLN  93   5.000 -12.525  -2.577
  683    H    GLU  94           H        GLU  94   1.388 -11.102  -5.341
  684    HA   GLU  94           HA       GLU  94  -1.274 -11.921  -6.075
  685    HB2  GLU  94           HB2      GLU  94  -0.116  -9.169  -5.474
  686    HB3  GLU  94           HB3      GLU  94  -1.831  -9.512  -5.695
  687    HG2  GLU  94           HG2      GLU  94  -0.057 -10.656  -3.489
  688    HG3  GLU  94           HG3      GLU  94  -1.241  -9.372  -3.304
  689    H    ILE  95           H        ILE  95   1.383 -10.322  -7.721
  690    HA   ILE  95           HA       ILE  95   0.082 -10.842 -10.284
  691    HB   ILE  95           HB       ILE  95  -0.414  -8.536 -10.198
  692   HG12  ILE  95          HG12      ILE  95   2.316  -8.682 -11.578
  693   HG13  ILE  95          HG13      ILE  95   0.819  -9.313 -12.266
  694   HG21  ILE  95          HG21      ILE  95   2.353  -8.091  -9.047
  695   HG22  ILE  95          HG22      ILE  95   1.241  -6.788  -9.506
  696   HG23  ILE  95          HG23      ILE  95   0.811  -7.860  -8.197
  697   HD11  ILE  95          HD11      ILE  95   1.395  -6.382 -11.651
  698   HD12  ILE  95          HD12      ILE  95   1.405  -7.143 -13.231
  699   HD13  ILE  95          HD13      ILE  95  -0.122  -7.014 -12.324
  700    H    PHE  96           H        PHE  96   1.517 -11.873 -11.539
  701    HA   PHE  96           HA       PHE  96   4.413 -11.553 -11.035
  702    HB2  PHE  96           HB2      PHE  96   3.832 -13.770 -10.211
  703    HB3  PHE  96           HB3      PHE  96   2.965 -14.136 -11.706
  704    HD1  PHE  96           HD1      PHE  96   6.359 -12.996 -10.516
  705    HD2  PHE  96           HD2      PHE  96   4.122 -15.269 -13.434
  706    HE1  PHE  96           HE1      PHE  96   8.474 -13.769 -11.545
  707    HE2  PHE  96           HE2      PHE  96   6.245 -16.050 -14.446
  708    HZ   PHE  96           HZ       PHE  96   8.425 -15.313 -13.495
  709    H    GLU  97           H        GLU  97   5.553 -11.275 -13.049
  710    HA   GLU  97           HA       GLU  97   3.970 -11.520 -15.536
  711    HB2  GLU  97           HB2      GLU  97   5.701  -9.124 -14.870
  712    HB3  GLU  97           HB3      GLU  97   5.030  -9.460 -16.445
  713    HG2  GLU  97           HG2      GLU  97   3.256  -8.995 -14.011
  714    HG3  GLU  97           HG3      GLU  97   3.885  -7.697 -15.009
  715    H    ASP  98           H        ASP  98   5.123 -12.307 -17.164
  716    HA   ASP  98           HA       ASP  98   8.031 -12.854 -16.829
  717    HB2  ASP  98           HB2      ASP  98   6.827 -14.944 -16.957
  718    HB3  ASP  98           HB3      ASP  98   5.881 -14.382 -18.335
  719    H    TRP  99           H        TRP  99   9.175 -11.509 -18.103
  720    HA   TRP  99           HA       TRP  99   8.001 -10.623 -20.690
  721    HB2  TRP  99           HB2      TRP  99  10.030  -8.959 -19.188
  722    HB3  TRP  99           HB3      TRP  99   9.178  -8.556 -20.645
  723    HD1  TRP  99           HD1      TRP  99   9.342  -7.237 -17.501
  724    HE1  TRP  99           HE1      TRP  99   7.203  -6.124 -16.679
  725    HE3  TRP  99           HE3      TRP  99   6.024  -9.378 -20.756
  726    HZ2  TRP  99           HZ2      TRP  99   4.399  -6.113 -17.367
  727    HZ3  TRP  99           HZ3      TRP  99   3.621  -8.787 -20.656
  728    HH2  TRP  99           HH2      TRP  99   2.797  -7.146 -18.971
  729    H    GLN 100           H        GLN 100   9.810 -10.100 -22.261
  730    HA   GLN 100           HA       GLN 100  12.332 -11.582 -21.764
  731    HB2  GLN 100           HB2      GLN 100  10.662 -11.714 -24.317
  732    HB3  GLN 100           HB3      GLN 100  12.314 -12.323 -24.141
  733    HG2  GLN 100           HG2      GLN 100  11.532 -13.903 -22.374
  734    HG3  GLN 100           HG3      GLN 100   9.876 -13.338 -22.618
  735   HE21  GLN 100          HE22      GLN 100  12.606 -15.054 -24.227
  736   HE22  GLN 100          HE21      GLN 100  11.609 -15.843 -25.425
  737    H    LEU 101           H        LEU 101  12.450  -9.184 -21.029
  738    HA   LEU 101           HA       LEU 101  12.565  -7.140 -23.130
  739    HB2  LEU 101           HB2      LEU 101  12.978  -7.253 -20.169
  740    HB3  LEU 101           HB3      LEU 101  13.955  -6.073 -21.009
  741    HG   LEU 101           HG       LEU 101  10.937  -6.160 -21.347
  742   HD11  LEU 101          HD11      LEU 101  12.582  -4.823 -19.226
  743   HD12  LEU 101          HD12      LEU 101  10.942  -4.263 -19.692
  744   HD13  LEU 101          HD13      LEU 101  11.188  -5.894 -19.067
  745   HD21  LEU 101          HD21      LEU 101  13.029  -4.131 -22.139
  746   HD22  LEU 101          HD22      LEU 101  11.872  -4.976 -23.173
  747   HD23  LEU 101          HD23      LEU 101  11.282  -3.755 -22.067
  748    H    GLU 102           H        GLU 102  14.306  -6.417 -24.202
  749    HA   GLU 102           HA       GLU 102  16.666  -8.042 -24.384
  750    HB2  GLU 102           HB2      GLU 102  15.801  -5.410 -25.641
  751    HB3  GLU 102           HB3      GLU 102  17.311  -6.229 -26.052
  752    HG2  GLU 102           HG2      GLU 102  16.160  -8.151 -26.929
  753    HG3  GLU 102           HG3      GLU 102  14.599  -7.587 -26.328
  754    H    ASP 103           H        ASP 103  18.911  -6.725 -24.340
  755    HA   ASP 103           HA       ASP 103  18.922  -4.688 -22.288
  756    HB2  ASP 103           HB2      ASP 103  19.174  -6.645 -20.956
  757    HB3  ASP 103           HB3      ASP 103  20.466  -7.271 -21.996
  758    HA   PRO 104           HA       PRO 104  21.847  -3.294 -25.281
  759    HB2  PRO 104           HB2      PRO 104  22.460  -0.931 -24.340
  760    HB3  PRO 104           HB3      PRO 104  20.757  -1.354 -24.690
  761    HG2  PRO 104           HG2      PRO 104  22.138  -1.541 -21.969
  762    HG3  PRO 104           HG3      PRO 104  20.657  -0.600 -22.361
  763    HD2  PRO 104           HD2      PRO 104  20.491  -3.088 -21.414
  764    HD3  PRO 104           HD3      PRO 104  19.409  -2.552 -22.730
  765    H    ASP 105           H        ASP 105  23.090  -4.526 -22.295
  766    HA   ASP 105           HA       ASP 105  25.551  -3.228 -22.080
  767    HB2  ASP 105           HB2      ASP 105  24.823  -4.680 -20.330
  768    HB3  ASP 105           HB3      ASP 105  24.862  -6.093 -21.414
  769    H    GLY 106           H        GLY 106  27.451  -3.334 -23.222
  770    HA2  GLY 106           HA2      GLY 106  29.108  -4.057 -24.600
  771    HA3  GLY 106           HA3      GLY 106  28.373  -5.663 -24.568
  772    H    GLN 107           H        GLN 107  26.129  -3.304 -25.742
  773    HA   GLN 107           HA       GLN 107  27.085  -3.570 -28.534
  774    HB2  GLN 107           HB2      GLN 107  24.850  -3.973 -29.377
  775    HB3  GLN 107           HB3      GLN 107  25.443  -5.284 -28.361
  776    HG2  GLN 107           HG2      GLN 107  24.056  -4.450 -26.492
  777    HG3  GLN 107           HG3      GLN 107  23.461  -3.147 -27.548
  778   HE21  GLN 107          HE22      GLN 107  22.000  -5.634 -26.196
  779   HE22  GLN 107          HE21      GLN 107  21.264  -6.432 -27.555
  780    H    SER 108           H        SER 108  25.152  -2.063 -29.794
  781    HA   SER 108           HA       SER 108  26.401   0.332 -29.405
  782    HB2  SER 108           HB2      SER 108  23.846   0.005 -31.010
  783    HB3  SER 108           HB3      SER 108  25.208   1.088 -31.336
  784    HG   SER 108           HG       SER 108  25.288  -0.775 -32.675
  785    H    LEU 109           H        LEU 109  25.731   2.468 -29.105
  786    HA   LEU 109           HA       LEU 109  24.329   3.111 -26.773
  787    HB2  LEU 109           HB2      LEU 109  26.041   4.420 -28.333
  788    HB3  LEU 109           HB3      LEU 109  24.582   5.009 -29.116
  789    HG   LEU 109           HG       LEU 109  23.816   5.800 -26.771
  790   HD11  LEU 109          HD11      LEU 109  26.740   5.105 -26.169
  791   HD12  LEU 109          HD12      LEU 109  25.746   6.166 -25.170
  792   HD13  LEU 109          HD13      LEU 109  25.302   4.465 -25.342
  793   HD21  LEU 109          HD21      LEU 109  26.380   6.980 -27.938
  794   HD22  LEU 109          HD22      LEU 109  24.729   7.332 -28.492
  795   HD23  LEU 109          HD23      LEU 109  25.232   7.818 -26.865
  796    H    GLU 110           H        GLU 110  23.191   2.968 -30.130
  797    HA   GLU 110           HA       GLU 110  20.617   4.042 -29.830
  798    HB2  GLU 110           HB2      GLU 110  21.708   3.558 -31.968
  799    HB3  GLU 110           HB3      GLU 110  21.655   1.818 -31.642
  800    HG2  GLU 110           HG2      GLU 110  19.222   1.819 -31.746
  801    HG3  GLU 110           HG3      GLU 110  19.182   3.581 -31.881
  802    H    VAL 111           H        VAL 111  21.845   0.813 -28.949
  803    HA   VAL 111           HA       VAL 111  19.213  -0.284 -28.611
  804    HB   VAL 111           HB       VAL 111  21.721  -1.462 -27.424
  805   HG11  VAL 111          HG11      VAL 111  19.606  -2.516 -26.737
  806   HG12  VAL 111          HG12      VAL 111  19.104  -2.653 -28.437
  807   HG13  VAL 111          HG13      VAL 111  20.472  -3.589 -27.833
  808   HG21  VAL 111          HG21      VAL 111  21.987  -2.777 -29.530
  809   HG22  VAL 111          HG22      VAL 111  20.717  -1.794 -30.287
  810   HG23  VAL 111          HG23      VAL 111  22.257  -1.065 -29.795
  811    H    PHE 112           H        PHE 112  21.675   1.133 -26.354
  812    HA   PHE 112           HA       PHE 112  20.152   0.840 -23.933
  813    HB2  PHE 112           HB2      PHE 112  21.996   3.105 -24.837
  814    HB3  PHE 112           HB3      PHE 112  21.269   2.967 -23.256
  815    HD1  PHE 112           HD2      PHE 112  23.829   1.480 -25.521
  816    HD2  PHE 112           HD1      PHE 112  22.130   1.469 -21.556
  817    HE1  PHE 112           HE2      PHE 112  25.713   0.110 -24.723
  818    HE2  PHE 112           HE1      PHE 112  24.013   0.053 -20.772
  819    HZ   PHE 112           HZ       PHE 112  25.796  -0.648 -22.352
  820    H    ARG 113           H        ARG 113  20.113   3.494 -26.358
  821    HA   ARG 113           HA       ARG 113  18.030   4.942 -25.035
  822    HB2  ARG 113           HB2      ARG 113  19.139   4.943 -27.872
  823    HB3  ARG 113           HB3      ARG 113  17.910   6.096 -27.341
  824    HG2  ARG 113           HG2      ARG 113  19.321   7.063 -25.694
  825    HG3  ARG 113           HG3      ARG 113  20.504   5.751 -25.763
  826    HD2  ARG 113           HD2      ARG 113  21.280   6.424 -27.924
  827    HD3  ARG 113           HD3      ARG 113  19.956   7.611 -28.089
  828    HE   ARG 113           HE       ARG 113  21.418   8.207 -25.717
  829   HH11  ARG 113          HH11      ARG 113  21.779   8.407 -29.277
  830   HH12  ARG 113          HH12      ARG 113  22.877   9.733 -29.219
  831   HH21  ARG 113          HH21      ARG 113  22.874   9.918 -25.657
  832   HH22  ARG 113          HH22      ARG 113  23.539  10.621 -27.108
  833    H    THR 114           H        THR 114  17.817   2.356 -27.544
  834    HA   THR 114           HA       THR 114  15.009   2.496 -27.909
  835    HB   THR 114           HB       THR 114  17.208   0.431 -28.236
  836    HG1  THR 114           HG1      THR 114  17.265   1.961 -29.774
  837   HG21  THR 114          HG21      THR 114  15.350  -0.937 -27.758
  838   HG22  THR 114          HG22      THR 114  14.287   0.003 -28.835
  839   HG23  THR 114          HG23      THR 114  15.639  -0.970 -29.503
  840    H    VAL 115           H        VAL 115  17.068   0.491 -25.666
  841    HA   VAL 115           HA       VAL 115  14.783  -0.876 -24.706
  842    HB   VAL 115           HB       VAL 115  17.650  -0.784 -23.707
  843   HG11  VAL 115          HG11      VAL 115  16.211  -1.469 -21.788
  844   HG12  VAL 115          HG12      VAL 115  15.404  -2.677 -22.823
  845   HG13  VAL 115          HG13      VAL 115  17.119  -2.849 -22.410
  846   HG21  VAL 115          HG21      VAL 115  17.774  -3.008 -24.758
  847   HG22  VAL 115          HG22      VAL 115  16.049  -2.939 -25.184
  848   HG23  VAL 115          HG23      VAL 115  17.199  -1.859 -25.969
  849    H    ARG 116           H        ARG 116  16.293   2.160 -23.613
  850    HA   ARG 116           HA       ARG 116  14.836   2.368 -21.183
  851    HB2  ARG 116           HB2      ARG 116  15.595   4.548 -23.195
  852    HB3  ARG 116           HB3      ARG 116  14.792   4.864 -21.652
  853    HG2  ARG 116           HG2      ARG 116  16.711   3.625 -20.523
  854    HG3  ARG 116           HG3      ARG 116  17.589   3.736 -22.043
  855    HD2  ARG 116           HD2      ARG 116  16.440   6.168 -20.593
  856    HD3  ARG 116           HD3      ARG 116  18.017   5.507 -20.247
  857    HE   ARG 116           HE       ARG 116  18.910   6.289 -22.187
  858   HH11  ARG 116          HH11      ARG 116  15.413   7.047 -22.314
  859   HH12  ARG 116          HH12      ARG 116  15.637   8.396 -23.356
  860   HH21  ARG 116          HH21      ARG 116  19.176   8.151 -23.534
  861   HH22  ARG 116          HH22      ARG 116  17.769   8.967 -24.111
  862    H    GLY 117           H        GLY 117  13.736   3.149 -24.559
  863    HA2  GLY 117           HA2      GLY 117  11.115   4.003 -23.846
  864    HA3  GLY 117           HA3      GLY 117  11.628   3.383 -25.421
  865    H    GLN 118           H        GLN 118  12.277   0.768 -24.986
  866    HA   GLN 118           HA       GLN 118   9.796  -0.601 -24.834
  867    HB2  GLN 118           HB2      GLN 118  12.518  -1.799 -24.296
  868    HB3  GLN 118           HB3      GLN 118  11.027  -2.647 -24.741
  869    HG2  GLN 118           HG2      GLN 118  11.039  -1.153 -26.876
  870    HG3  GLN 118           HG3      GLN 118  12.731  -0.835 -26.471
  871   HE21  GLN 118          HE22      GLN 118  13.464  -3.474 -25.467
  872   HE22  GLN 118          HE21      GLN 118  13.554  -4.463 -26.937
  873    H    VAL 119           H        VAL 119  12.298  -0.215 -22.365
  874    HA   VAL 119           HA       VAL 119  10.831  -1.803 -20.465
  875    HB   VAL 119           HB       VAL 119  13.163   0.144 -20.193
  876   HG11  VAL 119          HG11      VAL 119  13.533  -0.861 -17.984
  877   HG12  VAL 119          HG12      VAL 119  12.052   0.087 -18.027
  878   HG13  VAL 119          HG13      VAL 119  11.963  -1.702 -18.092
  879   HG21  VAL 119          HG21      VAL 119  13.573  -1.973 -21.465
  880   HG22  VAL 119          HG22      VAL 119  14.433  -2.000 -19.925
  881   HG23  VAL 119          HG23      VAL 119  12.914  -2.906 -20.134
  882    H    LYS 120           H        LYS 120  11.021   1.784 -20.972
  883    HA   LYS 120           HA       LYS 120   9.574   2.585 -18.714
  884    HB2  LYS 120           HB2      LYS 120  10.632   4.082 -20.461
  885    HB3  LYS 120           HB3      LYS 120   9.311   3.668 -21.571
  886    HG2  LYS 120           HG2      LYS 120   7.669   4.698 -20.077
  887    HG3  LYS 120           HG3      LYS 120   8.918   5.007 -18.854
  888    HD2  LYS 120           HD2      LYS 120  10.131   6.483 -20.383
  889    HD3  LYS 120           HD3      LYS 120   8.984   6.171 -21.682
  890    HE2  LYS 120           HE2      LYS 120   8.174   7.410 -19.013
  891    HE3  LYS 120           HE3      LYS 120   8.770   8.368 -20.367
  892    HZ1  LYS 120           HZ1      LYS 120   6.318   6.673 -20.446
  893    HZ2  LYS 120           HZ2      LYS 120   6.372   8.307 -20.390
  894    HZ3  LYS 120           HZ3      LYS 120   6.921   7.531 -21.715
  895    H    GLU 121           H        GLU 121   8.347   1.524 -21.917
  896    HA   GLU 121           HA       GLU 121   5.615   1.919 -21.346
  897    HB2  GLU 121           HB2      GLU 121   6.614   1.759 -23.554
  898    HB3  GLU 121           HB3      GLU 121   7.051   0.064 -23.291
  899    HG2  GLU 121           HG2      GLU 121   4.703  -0.593 -23.146
  900    HG3  GLU 121           HG3      GLU 121   4.182   1.096 -23.255
  901    H    ARG 122           H        ARG 122   7.674  -1.015 -20.963
  902    HA   ARG 122           HA       ARG 122   5.565  -2.742 -20.057
  903    HB2  ARG 122           HB2      ARG 122   8.580  -2.771 -19.507
  904    HB3  ARG 122           HB3      ARG 122   7.508  -4.089 -19.063
  905    HG2  ARG 122           HG2      ARG 122   7.765  -3.135 -21.948
  906    HG3  ARG 122           HG3      ARG 122   8.853  -4.337 -21.236
  907    HD2  ARG 122           HD2      ARG 122   7.006  -5.825 -20.758
  908    HD3  ARG 122           HD3      ARG 122   5.833  -4.618 -21.346
  909    HE   ARG 122           HE       ARG 122   7.766  -5.148 -23.378
  910   HH11  ARG 122          HH11      ARG 122   4.984  -6.741 -21.831
  911   HH12  ARG 122          HH12      ARG 122   4.495  -7.573 -23.262
  912   HH21  ARG 122          HH21      ARG 122   7.156  -6.338 -25.261
  913   HH22  ARG 122          HH22      ARG 122   5.779  -7.371 -25.225
  914    H    VAL 123           H        VAL 123   7.841  -0.671 -18.252
  915    HA   VAL 123           HA       VAL 123   6.886  -1.510 -15.661
  916    HB   VAL 123           HB       VAL 123   8.494   0.874 -16.514
  917   HG11  VAL 123          HG11      VAL 123   8.023  -0.276 -13.747
  918   HG12  VAL 123          HG12      VAL 123   9.254   0.940 -14.180
  919   HG13  VAL 123          HG13      VAL 123   7.535   1.330 -14.332
  920   HG21  VAL 123          HG21      VAL 123  10.416  -0.397 -15.779
  921   HG22  VAL 123          HG22      VAL 123   9.393  -1.753 -15.252
  922   HG23  VAL 123          HG23      VAL 123   9.569  -1.370 -16.975
  923    H    GLU 124           H        GLU 124   6.046   1.289 -17.847
  924    HA   GLU 124           HA       GLU 124   4.218   2.498 -16.061
  925    HB2  GLU 124           HB2      GLU 124   4.542   2.517 -19.088
  926    HB3  GLU 124           HB3      GLU 124   3.075   3.170 -18.361
  927    HG2  GLU 124           HG2      GLU 124   4.547   4.625 -16.896
  928    HG3  GLU 124           HG3      GLU 124   5.906   4.137 -17.925
  929    H    ASN 125           H        ASN 125   3.735  -0.077 -18.473
  930    HA   ASN 125           HA       ASN 125   0.923  -0.260 -18.153
  931    HB2  ASN 125           HB2      ASN 125   2.182  -1.286 -20.045
  932    HB3  ASN 125           HB3      ASN 125   2.914  -2.450 -18.937
  933   HD21  ASN 125          HD22      ASN 125  -0.199  -1.426 -20.415
  934   HD22  ASN 125          HD21      ASN 125  -1.014  -2.940 -20.121
  935    H    LEU 126           H        LEU 126   3.542  -2.073 -16.491
  936    HA   LEU 126           HA       LEU 126   2.029  -3.674 -14.789
  937    HB2  LEU 126           HB2      LEU 126   4.402  -3.948 -15.165
  938    HB3  LEU 126           HB3      LEU 126   4.748  -2.318 -14.604
  939    HG   LEU 126           HG       LEU 126   4.102  -2.916 -12.309
  940   HD11  LEU 126          HD11      LEU 126   3.763  -5.350 -11.774
  941   HD12  LEU 126          HD12      LEU 126   2.467  -4.698 -12.769
  942   HD13  LEU 126          HD13      LEU 126   3.731  -5.706 -13.510
  943   HD21  LEU 126          HD21      LEU 126   6.067  -4.359 -11.875
  944   HD22  LEU 126          HD22      LEU 126   6.176  -4.693 -13.632
  945   HD23  LEU 126          HD23      LEU 126   6.406  -3.045 -13.017
  946    H    ILE 127           H        ILE 127   3.297  -0.326 -14.245
  947    HA   ILE 127           HA       ILE 127   2.275  -0.036 -11.562
  948    HB   ILE 127           HB       ILE 127   3.187   1.846 -13.762
  949   HG12  ILE 127          HG12      ILE 127   4.388   0.986 -11.094
  950   HG13  ILE 127          HG13      ILE 127   4.790   0.192 -12.601
  951   HG21  ILE 127          HG21      ILE 127   1.603   3.088 -12.335
  952   HG22  ILE 127          HG22      ILE 127   2.474   2.545 -10.878
  953   HG23  ILE 127          HG23      ILE 127   3.247   3.640 -12.055
  954   HD11  ILE 127          HD11      ILE 127   6.524   1.734 -12.161
  955   HD12  ILE 127          HD12      ILE 127   5.553   2.403 -13.509
  956   HD13  ILE 127          HD13      ILE 127   5.381   3.046 -11.845
  957    H    ALA 128           H        ALA 128   0.990   0.955 -14.816
  958    HA   ALA 128           HA       ALA 128  -1.323   2.206 -13.880
  959    HB1  ALA 128           HB1      ALA 128  -0.930   0.668 -16.486
  960    HB2  ALA 128           HB2      ALA 128  -2.175   1.892 -16.173
  961    HB3  ALA 128           HB3      ALA 128  -0.463   2.361 -16.198
  962    H    LYS 129           H        LYS 129  -0.758  -1.328 -14.332
  963    HA   LYS 129           HA       LYS 129  -3.566  -1.830 -13.812
  964    HB2  LYS 129           HB2      LYS 129  -3.142  -4.168 -14.035
  965    HB3  LYS 129           HB3      LYS 129  -2.499  -3.252 -15.396
  966    HG2  LYS 129           HG2      LYS 129  -0.223  -3.449 -14.428
  967    HG3  LYS 129           HG3      LYS 129  -0.869  -4.371 -13.070
  968    HD2  LYS 129           HD2      LYS 129   0.169  -5.846 -14.650
  969    HD3  LYS 129           HD3      LYS 129  -1.580  -6.153 -14.657
  970    HE2  LYS 129           HE2      LYS 129  -1.781  -4.845 -16.762
  971    HE3  LYS 129           HE3      LYS 129  -0.062  -4.434 -16.673
  972    HZ1  LYS 129           HZ1      LYS 129  -1.202  -7.132 -17.122
  973    HZ2  LYS 129           HZ2      LYS 129  -0.309  -6.244 -18.173
  974    HZ3  LYS 129           HZ3      LYS 129   0.394  -6.881 -16.826
  975    H    ILE 130           H        ILE 130  -0.561  -1.980 -11.797
  976    HA   ILE 130           HA       ILE 130  -2.093  -3.156  -9.694
  977    HB   ILE 130           HB       ILE 130  -0.152  -3.092  -8.372
  978   HG12  ILE 130          HG12      ILE 130   1.073  -1.396 -10.536
  979   HG13  ILE 130          HG13      ILE 130   0.843  -0.974  -8.850
  980   HG21  ILE 130          HG21      ILE 130   0.591  -3.970 -11.187
  981   HG22  ILE 130          HG22      ILE 130   1.180  -4.621  -9.647
  982   HG23  ILE 130          HG23      ILE 130  -0.507  -4.863 -10.106
  983   HD11  ILE 130          HD11      ILE 130   2.776  -3.047  -9.901
  984   HD12  ILE 130          HD12      ILE 130   3.160  -1.449  -9.266
  985   HD13  ILE 130          HD13      ILE 130   2.493  -2.671  -8.164
  986    H    SER 131           H        SER 131  -0.968   0.155 -10.326
  987    HA   SER 131           HA       SER 131  -1.821   1.062  -7.721
  988    HB2  SER 131           HB2      SER 131  -0.244   2.323  -9.969
  989    HB3  SER 131           HB3      SER 131  -0.647   3.135  -8.439
  990    HG   SER 131           HG       SER 131   1.430   2.065  -8.367
  Start of MODEL    7
    1    H    MET   1           H        MET   1   2.326  -1.018   1.328
    2    HA   MET   1           HA       MET   1   0.984  -0.245  -1.180
    3    HB2  MET   1           HB2      MET   1   2.641   1.255  -1.698
    4    HB3  MET   1           HB3      MET   1   2.438   1.526   0.010
    5    HG2  MET   1           HG2      MET   1   4.477  -0.081   0.297
    6    HG3  MET   1           HG3      MET   1   4.713   0.158  -1.443
    7    HE1  MET   1           HE1      MET   1   5.628   3.968  -1.685
    8    HE2  MET   1           HE2      MET   1   5.504   2.428  -2.564
    9    HE3  MET   1           HE3      MET   1   4.034   3.232  -1.955
   10    H    LYS   2           H        LYS   2   2.050  -1.073  -3.204
   11    HA   LYS   2           HA       LYS   2   2.410  -3.948  -2.786
   12    HB2  LYS   2           HB2      LYS   2   2.697  -2.634  -5.501
   13    HB3  LYS   2           HB3      LYS   2   2.114  -4.219  -5.101
   14    HG2  LYS   2           HG2      LYS   2   0.045  -3.288  -4.122
   15    HG3  LYS   2           HG3      LYS   2   0.637  -1.645  -4.411
   16    HD2  LYS   2           HD2      LYS   2   0.798  -2.330  -6.899
   17    HD3  LYS   2           HD3      LYS   2  -0.272  -3.667  -6.465
   18    HE2  LYS   2           HE2      LYS   2  -0.838  -0.706  -5.848
   19    HE3  LYS   2           HE3      LYS   2  -1.336  -1.479  -7.343
   20    HZ1  LYS   2           HZ1      LYS   2  -2.262  -2.331  -4.638
   21    HZ2  LYS   2           HZ2      LYS   2  -3.130  -1.480  -5.726
   22    HZ3  LYS   2           HZ3      LYS   2  -2.718  -3.015  -6.067
   23    H    LYS   3           H        LYS   3   4.383  -4.928  -2.375
   24    HA   LYS   3           HA       LYS   3   6.812  -3.364  -3.006
   25    HB2  LYS   3           HB2      LYS   3   6.671  -6.071  -1.682
   26    HB3  LYS   3           HB3      LYS   3   8.075  -4.995  -1.826
   27    HG2  LYS   3           HG2      LYS   3   6.850  -3.268  -0.498
   28    HG3  LYS   3           HG3      LYS   3   5.530  -4.428  -0.247
   29    HD2  LYS   3           HD2      LYS   3   7.113  -5.992   0.858
   30    HD3  LYS   3           HD3      LYS   3   8.427  -4.802   0.630
   31    HE2  LYS   3           HE2      LYS   3   7.086  -3.110   1.880
   32    HE3  LYS   3           HE3      LYS   3   5.806  -4.308   2.112
   33    HZ1  LYS   3           HZ1      LYS   3   7.169  -4.275   4.083
   34    HZ2  LYS   3           HZ2      LYS   3   7.477  -5.702   3.316
   35    HZ3  LYS   3           HZ3      LYS   3   8.556  -4.470   3.234
   36    H    VAL   4           H        VAL   4   8.238  -3.866  -4.552
   37    HA   VAL   4           HA       VAL   4   7.319  -5.796  -6.611
   38    HB   VAL   4           HB       VAL   4   8.800  -3.278  -7.249
   39   HG11  VAL   4          HG11      VAL   4   6.632  -4.787  -8.767
   40   HG12  VAL   4          HG12      VAL   4   7.527  -3.395  -9.356
   41   HG13  VAL   4          HG13      VAL   4   8.381  -4.919  -9.074
   42   HG21  VAL   4          HG21      VAL   4   6.796  -1.989  -7.604
   43   HG22  VAL   4          HG22      VAL   4   5.788  -3.266  -6.881
   44   HG23  VAL   4          HG23      VAL   4   6.969  -2.374  -5.902
   45    H    MET   5           H        MET   5   8.958  -6.799  -7.803
   46    HA   MET   5           HA       MET   5  11.807  -6.172  -7.331
   47    HB2  MET   5           HB2      MET   5  10.726  -9.032  -7.390
   48    HB3  MET   5           HB3      MET   5  12.414  -8.534  -7.327
   49    HG2  MET   5           HG2      MET   5  11.610  -7.348  -5.080
   50    HG3  MET   5           HG3      MET   5  10.354  -8.567  -5.148
   51    HE1  MET   5           HE1      MET   5  11.430  -9.147  -2.732
   52    HE2  MET   5           HE2      MET   5  13.064  -9.798  -2.486
   53    HE3  MET   5           HE3      MET   5  12.844  -8.088  -2.933
   54    H    PHE   6           H        PHE   6  13.080  -6.545  -9.179
   55    HA   PHE   6           HA       PHE   6  11.834  -7.802 -11.536
   56    HB2  PHE   6           HB2      PHE   6  13.436  -5.202 -11.656
   57    HB3  PHE   6           HB3      PHE   6  12.780  -6.114 -13.007
   58    HD1  PHE   6           HD1      PHE   6  11.857  -3.967 -10.110
   59    HD2  PHE   6           HD2      PHE   6  10.591  -5.754 -13.832
   60    HE1  PHE   6           HE1      PHE   6   9.780  -2.620 -10.062
   61    HE2  PHE   6           HE2      PHE   6   8.572  -4.323 -13.829
   62    HZ   PHE   6           HZ       PHE   6   8.143  -2.780 -11.915
   63    H    VAL   7           H        VAL   7  13.253  -9.492 -12.014
   64    HA   VAL   7           HA       VAL   7  16.148  -9.096 -11.453
   65    HB   VAL   7           HB       VAL   7  15.344  -9.630  -9.329
   66   HG11  VAL   7          HG11      VAL   7  13.857 -11.560  -8.763
   67   HG12  VAL   7          HG12      VAL   7  13.075 -10.249  -9.633
   68   HG13  VAL   7          HG13      VAL   7  13.521 -11.747 -10.501
   69   HG21  VAL   7          HG21      VAL   7  17.277 -11.039  -9.937
   70   HG22  VAL   7          HG22      VAL   7  16.228 -11.810  -8.738
   71   HG23  VAL   7          HG23      VAL   7  16.167 -12.349 -10.421
   72    H    CYS   8           H        CYS   8  17.522 -10.509 -12.444
   73    HA   CYS   8           HA       CYS   8  16.486 -12.788 -13.992
   74    HB2  CYS   8           HB2      CYS   8  16.718 -10.895 -15.585
   75    HB3  CYS   8           HB3      CYS   8  18.389 -10.659 -15.088
   76    H    LYS   9           H        LYS   9  18.878 -13.913 -14.732
   77    HA   LYS   9           HA       LYS   9  19.688 -15.015 -12.310
   78    HB2  LYS   9           HB2      LYS   9  21.383 -16.229 -13.553
   79    HB3  LYS   9           HB3      LYS   9  19.853 -16.193 -14.421
   80    HG2  LYS   9           HG2      LYS   9  20.738 -14.462 -15.964
   81    HG3  LYS   9           HG3      LYS   9  22.229 -14.365 -15.025
   82    HD2  LYS   9           HD2      LYS   9  22.653 -15.652 -16.993
   83    HD3  LYS   9           HD3      LYS   9  22.763 -16.711 -15.585
   84    HE2  LYS   9           HE2      LYS   9  20.476 -17.589 -16.067
   85    HE3  LYS   9           HE3      LYS   9  20.342 -16.489 -17.447
   86    HZ1  LYS   9           HZ1      LYS   9  20.999 -18.705 -18.150
   87    HZ2  LYS   9           HZ2      LYS   9  22.217 -17.669 -18.472
   88    HZ3  LYS   9           HZ3      LYS   9  22.322 -18.688 -17.195
   89    H    ARG  10           H        ARG  10  21.056 -12.111 -13.758
   90    HA   ARG  10           HA       ARG  10  22.803 -11.862 -11.404
   91    HB2  ARG  10           HB2      ARG  10  24.132 -12.890 -13.304
   92    HB3  ARG  10           HB3      ARG  10  23.856 -11.425 -14.246
   93    HG2  ARG  10           HG2      ARG  10  25.157 -10.109 -12.657
   94    HG3  ARG  10           HG3      ARG  10  25.232 -11.463 -11.511
   95    HD2  ARG  10           HD2      ARG  10  26.599 -12.759 -13.091
   96    HD3  ARG  10           HD3      ARG  10  26.424 -11.496 -14.309
   97    HE   ARG  10           HE       ARG  10  27.934 -10.146 -13.244
   98   HH11  ARG  10          HH21      ARG  10  27.407 -13.056 -11.194
   99   HH12  ARG  10          HH22      ARG  10  28.745 -12.684 -10.164
  100   HH21  ARG  10          HH11      ARG  10  29.716  -9.732 -11.865
  101   HH22  ARG  10          HH12      ARG  10  30.063 -10.776 -10.540
  102    H    ASN  11           H        ASN  11  23.409  -9.608 -11.025
  103    HA   ASN  11           HA       ASN  11  21.186  -7.838 -11.395
  104    HB2  ASN  11           HB2      ASN  11  22.454  -7.730  -9.371
  105    HB3  ASN  11           HB3      ASN  11  23.982  -7.537 -10.242
  106   HD21  ASN  11          HD22      ASN  11  24.677  -5.497 -10.934
  107   HD22  ASN  11          HD21      ASN  11  23.758  -4.038 -10.560
  108    H    SER  12           H        SER  12  24.362  -8.038 -13.090
  109    HA   SER  12           HA       SER  12  24.425  -5.390 -13.974
  110    HB2  SER  12           HB2      SER  12  25.728  -7.382 -15.735
  111    HB3  SER  12           HB3      SER  12  26.400  -5.988 -14.876
  112    HG   SER  12           HG       SER  12  27.205  -7.982 -14.091
  113    H    SER  13           H        SER  13  23.496  -8.320 -15.865
  114    HA   SER  13           HA       SER  13  22.486  -6.658 -18.040
  115    HB2  SER  13           HB2      SER  13  22.426  -9.686 -17.748
  116    HB3  SER  13           HB3      SER  13  22.276  -8.739 -19.238
  117    HG   SER  13           HG       SER  13  24.415  -9.588 -18.945
  118    H    ARG  14           H        ARG  14  20.355  -6.438 -18.624
  119    HA   ARG  14           HA       ARG  14  18.111  -6.537 -18.707
  120    HB2  ARG  14           HB2      ARG  14  18.114  -8.957 -16.873
  121    HB3  ARG  14           HB3      ARG  14  16.810  -8.424 -17.908
  122    HG2  ARG  14           HG2      ARG  14  19.495  -9.304 -19.064
  123    HG3  ARG  14           HG3      ARG  14  18.288 -10.469 -18.600
  124    HD2  ARG  14           HD2      ARG  14  17.563  -8.255 -20.532
  125    HD3  ARG  14           HD3      ARG  14  18.436  -9.698 -21.053
  126    HE   ARG  14           HE       ARG  14  15.858  -9.963 -19.545
  127   HH11  ARG  14          HH11      ARG  14  17.624 -10.588 -22.592
  128   HH12  ARG  14          HH12      ARG  14  16.366 -11.566 -23.253
  129   HH21  ARG  14          HH21      ARG  14  14.240 -11.192 -20.417
  130   HH22  ARG  14          HH22      ARG  14  14.376 -11.921 -22.005
  131    H    SER  15           H        SER  15  19.044  -7.348 -15.308
  132    HA   SER  15           HA       SER  15  16.863  -5.952 -14.184
  133    HB2  SER  15           HB2      SER  15  19.417  -6.648 -12.740
  134    HB3  SER  15           HB3      SER  15  17.764  -6.612 -12.109
  135    HG   SER  15           HG       SER  15  19.088  -8.661 -13.303
  136    H    GLN  16           H        GLN  16  19.709  -4.500 -15.482
  137    HA   GLN  16           HA       GLN  16  20.089  -2.496 -13.557
  138    HB2  GLN  16           HB2      GLN  16  21.336  -1.274 -15.158
  139    HB3  GLN  16           HB3      GLN  16  21.778  -2.974 -15.109
  140    HG2  GLN  16           HG2      GLN  16  20.421  -3.270 -17.257
  141    HG3  GLN  16           HG3      GLN  16  20.231  -1.511 -17.295
  142   HE21  GLN  16          HE22      GLN  16  21.856  -3.518 -19.110
  143   HE22  GLN  16          HE21      GLN  16  23.395  -2.705 -19.216
  144    H    MET  17           H        MET  17  17.841  -2.349 -16.387
  145    HA   MET  17           HA       MET  17  17.331   0.463 -15.768
  146    HB2  MET  17           HB2      MET  17  17.786  -0.280 -18.029
  147    HB3  MET  17           HB3      MET  17  16.433  -1.385 -17.972
  148    HG2  MET  17           HG2      MET  17  15.797   0.391 -19.284
  149    HG3  MET  17           HG3      MET  17  14.849   0.530 -17.811
  150    HE1  MET  17           HE1      MET  17  16.234   4.065 -16.454
  151    HE2  MET  17           HE2      MET  17  15.039   2.779 -16.138
  152    HE3  MET  17           HE3      MET  17  16.781   2.517 -15.823
  153    H    ALA  18           H        ALA  18  15.496  -2.569 -15.629
  154    HA   ALA  18           HA       ALA  18  12.926  -1.409 -15.614
  155    HB1  ALA  18           HB1      ALA  18  13.755  -4.051 -14.350
  156    HB2  ALA  18           HB2      ALA  18  12.118  -3.593 -14.867
  157    HB3  ALA  18           HB3      ALA  18  13.398  -3.798 -16.080
  158    H    GLU  19           H        GLU  19  14.889  -2.231 -12.679
  159    HA   GLU  19           HA       GLU  19  12.846  -1.327 -10.862
  160    HB2  GLU  19           HB2      GLU  19  14.372  -1.609  -9.172
  161    HB3  GLU  19           HB3      GLU  19  14.956  -2.705 -10.403
  162    HG2  GLU  19           HG2      GLU  19  16.834  -1.718  -9.494
  163    HG3  GLU  19           HG3      GLU  19  16.648  -0.918 -11.068
  164    H    GLY  20           H        GLY  20  15.367   0.319 -12.720
  165    HA2  GLY  20           HA2      GLY  20  15.447   2.893 -11.682
  166    HA3  GLY  20           HA3      GLY  20  15.609   2.463 -13.386
  167    H    PHE  21           H        PHE  21  13.294   1.691 -14.352
  168    HA   PHE  21           HA       PHE  21  11.756   4.139 -14.245
  169    HB2  PHE  21           HB2      PHE  21  11.407   1.501 -15.680
  170    HB3  PHE  21           HB3      PHE  21  10.067   2.634 -15.612
  171    HD1  PHE  21           HD2      PHE  21  10.811   5.247 -15.944
  172    HD2  PHE  21           HD1      PHE  21  12.809   1.752 -17.523
  173    HE1  PHE  21           HE2      PHE  21  11.766   6.607 -17.799
  174    HE2  PHE  21           HE1      PHE  21  13.783   3.092 -19.315
  175    HZ   PHE  21           HZ       PHE  21  13.226   5.555 -19.492
  176    H    ALA  22           H        ALA  22  11.319   0.986 -12.640
  177    HA   ALA  22           HA       ALA  22   8.591   1.557 -12.099
  178    HB1  ALA  22           HB1      ALA  22   9.527  -0.697 -12.022
  179    HB2  ALA  22           HB2      ALA  22  10.586  -0.272 -10.681
  180    HB3  ALA  22           HB3      ALA  22   8.814  -0.316 -10.428
  181    H    LYS  23           H        LYS  23  11.555   2.412 -10.238
  182    HA   LYS  23           HA       LYS  23  10.063   3.521  -8.033
  183    HB2  LYS  23           HB2      LYS  23  12.085   4.359  -7.254
  184    HB3  LYS  23           HB3      LYS  23  12.585   2.959  -8.179
  185    HG2  LYS  23           HG2      LYS  23  12.677   5.172 -10.006
  186    HG3  LYS  23           HG3      LYS  23  13.269   5.805  -8.496
  187    HD2  LYS  23           HD2      LYS  23  14.324   3.358  -9.951
  188    HD3  LYS  23           HD3      LYS  23  15.019   4.975 -10.046
  189    HE2  LYS  23           HE2      LYS  23  15.279   4.809  -7.471
  190    HE3  LYS  23           HE3      LYS  23  14.807   3.092  -7.645
  191    HZ1  LYS  23           HZ1      LYS  23  16.731   2.695  -8.973
  192    HZ2  LYS  23           HZ2      LYS  23  17.177   4.269  -9.015
  193    HZ3  LYS  23           HZ3      LYS  23  17.236   3.422  -7.599
  194    H    THR  24           H        THR  24  10.665   4.716 -11.276
  195    HA   THR  24           HA       THR  24  10.175   7.471 -10.689
  196    HB   THR  24           HB       THR  24  10.783   5.778 -13.090
  197    HG1  THR  24           HG1      THR  24  12.548   6.220 -11.926
  198   HG21  THR  24          HG21      THR  24   9.343   7.356 -14.027
  199   HG22  THR  24          HG22      THR  24  10.088   8.704 -13.109
  200   HG23  THR  24          HG23      THR  24  11.000   7.862 -14.395
  201    H    LEU  25           H        LEU  25   8.514   4.968 -12.570
  202    HA   LEU  25           HA       LEU  25   6.148   6.552 -13.081
  203    HB2  LEU  25           HB2      LEU  25   6.783   3.583 -13.346
  204    HB3  LEU  25           HB3      LEU  25   5.336   4.330 -14.023
  205    HG   LEU  25           HG       LEU  25   8.188   5.095 -14.799
  206   HD11  LEU  25          HD11      LEU  25   7.775   3.664 -16.817
  207   HD12  LEU  25          HD12      LEU  25   7.865   2.770 -15.295
  208   HD13  LEU  25          HD13      LEU  25   6.286   3.072 -16.030
  209   HD21  LEU  25          HD21      LEU  25   6.567   6.847 -15.350
  210   HD22  LEU  25          HD22      LEU  25   7.093   6.034 -16.826
  211   HD23  LEU  25          HD23      LEU  25   5.502   5.664 -16.129
  212    H    GLY  26           H        GLY  26   7.064   4.013 -10.746
  213    HA2  GLY  26           HA2      GLY  26   4.344   3.761  -9.673
  214    HA3  GLY  26           HA3      GLY  26   5.791   2.805  -9.297
  215    H    ALA  27           H        ALA  27   6.517   6.137  -9.191
  216    HA   ALA  27           HA       ALA  27   7.412   6.152  -6.592
  217    HB1  ALA  27           HB1      ALA  27   7.988   7.859  -8.311
  218    HB2  ALA  27           HB2      ALA  27   6.347   8.523  -8.204
  219    HB3  ALA  27           HB3      ALA  27   7.442   8.616  -6.805
  220    H    GLY  28           H        GLY  28   6.448   6.094  -4.657
  221    HA2  GLY  28           HA2      GLY  28   5.001   6.535  -2.938
  222    HA3  GLY  28           HA3      GLY  28   4.065   7.593  -3.992
  223    H    LYS  29           H        LYS  29   4.067   4.846  -5.786
  224    HA   LYS  29           HA       LYS  29   1.508   3.875  -4.591
  225    HB2  LYS  29           HB2      LYS  29   2.648   3.298  -7.356
  226    HB3  LYS  29           HB3      LYS  29   1.033   2.909  -6.752
  227    HG2  LYS  29           HG2      LYS  29   0.583   5.370  -6.498
  228    HG3  LYS  29           HG3      LYS  29   2.162   5.695  -7.245
  229    HD2  LYS  29           HD2      LYS  29   1.445   4.396  -9.264
  230    HD3  LYS  29           HD3      LYS  29  -0.170   4.230  -8.565
  231    HE2  LYS  29           HE2      LYS  29   1.224   6.893  -9.121
  232    HE3  LYS  29           HE3      LYS  29   0.129   6.101 -10.255
  233    HZ1  LYS  29           HZ1      LYS  29  -0.645   7.079  -7.555
  234    HZ2  LYS  29           HZ2      LYS  29  -1.028   7.773  -8.981
  235    HZ3  LYS  29           HZ3      LYS  29  -1.650   6.314  -8.607
  236    H    ILE  30           H        ILE  30   4.689   2.706  -5.810
  237    HA   ILE  30           HA       ILE  30   4.267   0.165  -4.335
  238    HB   ILE  30           HB       ILE  30   4.809  -1.149  -6.288
  239   HG12  ILE  30          HG12      ILE  30   4.796   1.458  -7.863
  240   HG13  ILE  30          HG13      ILE  30   6.211   0.442  -7.562
  241   HG21  ILE  30          HG21      ILE  30   2.533   0.697  -7.101
  242   HG22  ILE  30          HG22      ILE  30   2.711  -1.042  -7.391
  243   HG23  ILE  30          HG23      ILE  30   2.407  -0.447  -5.751
  244   HD11  ILE  30          HD11      ILE  30   3.803  -0.184  -9.338
  245   HD12  ILE  30          HD12      ILE  30   5.514  -0.020  -9.781
  246   HD13  ILE  30          HD13      ILE  30   4.979  -1.421  -8.840
  247    H    ALA  31           H        ALA  31   6.210  -0.992  -3.885
  248    HA   ALA  31           HA       ALA  31   8.536   0.880  -3.550
  249    HB1  ALA  31           HB1      ALA  31   7.519  -1.403  -1.785
  250    HB2  ALA  31           HB2      ALA  31   8.951  -0.413  -1.475
  251    HB3  ALA  31           HB3      ALA  31   7.343   0.339  -1.452
  252    H    VAL  32           H        VAL  32  10.081   0.240  -5.118
  253    HA   VAL  32           HA       VAL  32  10.295  -2.608  -5.826
  254    HB   VAL  32           HB       VAL  32  12.186  -0.423  -6.736
  255   HG11  VAL  32          HG11      VAL  32  12.732  -2.686  -7.426
  256   HG12  VAL  32          HG12      VAL  32  11.065  -2.985  -7.965
  257   HG13  VAL  32          HG13      VAL  32  12.093  -1.820  -8.826
  258   HG21  VAL  32          HG21      VAL  32   9.434  -0.891  -7.972
  259   HG22  VAL  32          HG22      VAL  32   9.941   0.576  -7.100
  260   HG23  VAL  32          HG23      VAL  32  10.755   0.161  -8.577
  261    H    THR  33           H        THR  33  11.796  -4.012  -5.099
  262    HA   THR  33           HA       THR  33  14.330  -3.054  -3.997
  263    HB   THR  33           HB       THR  33  12.652  -5.230  -2.740
  264    HG1  THR  33           HG1      THR  33  12.045  -3.857  -1.138
  265   HG21  THR  33          HG21      THR  33  14.312  -5.068  -0.878
  266   HG22  THR  33          HG22      THR  33  15.137  -5.349  -2.417
  267   HG23  THR  33          HG23      THR  33  15.126  -3.722  -1.716
  268    H    SER  34           H        SER  34  15.322  -3.815  -5.948
  269    HA   SER  34           HA       SER  34  14.408  -6.428  -6.910
  270    HB2  SER  34           HB2      SER  34  16.069  -4.241  -8.151
  271    HB3  SER  34           HB3      SER  34  15.851  -5.838  -8.901
  272    HG   SER  34           HG       SER  34  14.188  -4.365  -9.548
  273    H    SER  35           H        SER  35  15.276  -7.337  -4.890
  274    HA   SER  35           HA       SER  35  18.027  -7.997  -4.545
  275    HB2  SER  35           HB2      SER  35  15.533  -9.575  -3.813
  276    HB3  SER  35           HB3      SER  35  17.124  -9.656  -3.027
  277    HG   SER  35           HG       SER  35  15.658  -8.262  -1.874
  278    H    GLY  36           H        GLY  36  18.821 -10.439  -4.804
  279    HA2  GLY  36           HA2      GLY  36  17.996 -11.736  -7.258
  280    HA3  GLY  36           HA3      GLY  36  19.504 -10.781  -7.364
  281    H    LEU  37           H        LEU  37  20.306 -13.139  -7.702
  282    HA   LEU  37           HA       LEU  37  21.013 -14.288  -5.091
  283    HB2  LEU  37           HB2      LEU  37  20.143 -15.522  -7.678
  284    HB3  LEU  37           HB3      LEU  37  21.070 -16.488  -6.516
  285    HG   LEU  37           HG       LEU  37  18.625 -14.942  -5.640
  286   HD11  LEU  37          HD11      LEU  37  18.557 -17.776  -6.769
  287   HD12  LEU  37          HD12      LEU  37  17.175 -16.875  -6.085
  288   HD13  LEU  37          HD13      LEU  37  17.948 -16.322  -7.579
  289   HD21  LEU  37          HD21      LEU  37  19.987 -17.488  -4.630
  290   HD22  LEU  37          HD22      LEU  37  19.999 -15.893  -3.843
  291   HD23  LEU  37          HD23      LEU  37  18.498 -16.826  -3.949
  292    H    GLU  38           H        GLU  38  22.141 -12.605  -7.588
  293    HA   GLU  38           HA       GLU  38  24.911 -13.061  -6.908
  294    HB2  GLU  38           HB2      GLU  38  23.832 -13.255  -9.757
  295    HB3  GLU  38           HB3      GLU  38  25.457 -12.632  -9.411
  296    HG2  GLU  38           HG2      GLU  38  26.029 -14.665  -8.216
  297    HG3  GLU  38           HG3      GLU  38  24.419 -15.340  -8.547
  298    H    SER  39           H        SER  39  26.108 -11.049  -7.299
  299    HA   SER  39           HA       SER  39  24.544  -8.843  -8.361
  300    HB2  SER  39           HB2      SER  39  24.811  -7.502  -6.292
  301    HB3  SER  39           HB3      SER  39  23.740  -8.934  -6.126
  302    HG   SER  39           HG       SER  39  25.169  -8.742  -4.326
  303    H    SER  40           H        SER  40  25.569  -6.806  -8.325
  304    HA   SER  40           HA       SER  40  28.428  -6.669  -8.772
  305    HB2  SER  40           HB2      SER  40  28.182  -6.672 -11.233
  306    HB3  SER  40           HB3      SER  40  27.489  -8.184 -10.582
  307    HG   SER  40           HG       SER  40  26.183  -7.103 -12.173
  308    H    ARG  41           H        ARG  41  27.599  -4.736 -11.007
  309    HA   ARG  41           HA       ARG  41  25.778  -2.864  -9.723
  310    HB2  ARG  41           HB2      ARG  41  28.545  -2.318  -9.504
  311    HB3  ARG  41           HB3      ARG  41  28.072  -1.426 -10.962
  312    HG2  ARG  41           HG2      ARG  41  26.308  -0.254  -9.719
  313    HG3  ARG  41           HG3      ARG  41  26.697  -1.195  -8.257
  314    HD2  ARG  41           HD2      ARG  41  28.938  -0.236  -8.177
  315    HD3  ARG  41           HD3      ARG  41  28.645   0.666  -9.681
  316    HE   ARG  41           HE       ARG  41  26.578   1.431  -8.017
  317   HH11  ARG  41          HH22      ARG  41  30.140   1.633  -7.825
  318   HH12  ARG  41          HH21      ARG  41  30.135   3.044  -6.830
  319   HH21  ARG  41          HH11      ARG  41  26.588   3.259  -6.664
  320   HH22  ARG  41          HH12      ARG  41  28.069   3.989  -6.152
  321    H    VAL  42           H        VAL  42  25.418  -1.055 -11.533
  322    HA   VAL  42           HA       VAL  42  24.671  -2.583 -13.914
  323    HB   VAL  42           HB       VAL  42  23.294  -0.753 -14.376
  324   HG11  VAL  42          HG11      VAL  42  22.557  -2.223 -12.491
  325   HG12  VAL  42          HG12      VAL  42  23.189  -0.992 -11.360
  326   HG13  VAL  42          HG13      VAL  42  21.860  -0.594 -12.456
  327   HG21  VAL  42          HG21      VAL  42  24.900   0.812 -12.348
  328   HG22  VAL  42          HG22      VAL  42  24.644   1.137 -14.086
  329   HG23  VAL  42          HG23      VAL  42  23.304   1.349 -12.958
  330    H    HIS  43           H        HIS  43  24.883  -1.145 -16.081
  331    HA   HIS  43           HA       HIS  43  27.810  -0.897 -16.384
  332    HB2  HIS  43           HB2      HIS  43  25.552  -1.149 -18.395
  333    HB3  HIS  43           HB3      HIS  43  27.259  -1.027 -18.825
  334    HD1  HIS  43           HD1      HIS  43  28.843  -3.158 -18.108
  335    HD2  HIS  43           HD2      HIS  43  24.710  -3.534 -17.416
  336    HE1  HIS  43           HE1      HIS  43  28.417  -5.611 -17.598
  337    HA   PRO  44           HA       PRO  44  28.026   3.408 -16.305
  338    HB2  PRO  44           HB2      PRO  44  29.811   4.091 -18.354
  339    HB3  PRO  44           HB3      PRO  44  30.260   3.467 -16.728
  340    HG2  PRO  44           HG2      PRO  44  29.981   1.946 -19.331
  341    HG3  PRO  44           HG3      PRO  44  31.248   1.786 -18.076
  342    HD2  PRO  44           HD2      PRO  44  29.204   0.031 -18.219
  343    HD3  PRO  44           HD3      PRO  44  29.789   0.601 -16.629
  344    H    THR  45           H        THR  45  27.808   2.437 -19.814
  345    HA   THR  45           HA       THR  45  26.653   4.898 -20.586
  346    HB   THR  45           HB       THR  45  26.405   2.269 -21.960
  347    HG1  THR  45           HG1      THR  45  28.592   4.079 -22.055
  348   HG21  THR  45          HG21      THR  45  25.123   4.003 -23.112
  349   HG22  THR  45          HG22      THR  45  26.525   5.094 -23.095
  350   HG23  THR  45          HG23      THR  45  26.553   3.600 -24.064
  351    H    ALA  46           H        ALA  46  25.232   2.080 -19.039
  352    HA   ALA  46           HA       ALA  46  22.477   2.648 -19.653
  353    HB1  ALA  46           HB1      ALA  46  21.941   1.192 -17.810
  354    HB2  ALA  46           HB2      ALA  46  23.416   0.507 -18.501
  355    HB3  ALA  46           HB3      ALA  46  23.462   1.459 -16.985
  356    H    ILE  47           H        ILE  47  24.598   3.490 -16.906
  357    HA   ILE  47           HA       ILE  47  22.662   5.063 -15.591
  358    HB   ILE  47           HB       ILE  47  25.719   5.397 -15.642
  359   HG12  ILE  47          HG12      ILE  47  24.047   3.945 -13.553
  360   HG13  ILE  47          HG13      ILE  47  24.801   3.135 -14.920
  361   HG21  ILE  47          HG21      ILE  47  23.663   6.529 -13.708
  362   HG22  ILE  47          HG22      ILE  47  25.408   6.506 -13.381
  363   HG23  ILE  47          HG23      ILE  47  24.782   7.430 -14.746
  364   HD11  ILE  47          HD11      ILE  47  26.333   4.626 -12.764
  365   HD12  ILE  47          HD12      ILE  47  26.202   2.876 -12.958
  366   HD13  ILE  47          HD13      ILE  47  27.041   3.836 -14.187
  367    H    ALA  48           H        ALA  48  25.000   5.962 -18.157
  368    HA   ALA  48           HA       ALA  48  24.449   8.719 -18.061
  369    HB1  ALA  48           HB1      ALA  48  25.426   8.820 -20.319
  370    HB2  ALA  48           HB2      ALA  48  26.365   7.719 -19.293
  371    HB3  ALA  48           HB3      ALA  48  25.242   7.069 -20.512
  372    H    MET  49           H        MET  49  22.796   6.223 -20.158
  373    HA   MET  49           HA       MET  49  21.032   8.274 -21.272
  374    HB2  MET  49           HB2      MET  49  20.789   5.232 -21.243
  375    HB3  MET  49           HB3      MET  49  19.770   6.332 -22.176
  376    HG2  MET  49           HG2      MET  49  22.753   5.846 -22.532
  377    HG3  MET  49           HG3      MET  49  21.443   5.402 -23.619
  378    HE1  MET  49           HE1      MET  49  23.944   9.061 -23.833
  379    HE2  MET  49           HE2      MET  49  23.586   8.392 -22.225
  380    HE3  MET  49           HE3      MET  49  24.315   7.357 -23.475
  381    H    MET  50           H        MET  50  20.942   6.129 -18.502
  382    HA   MET  50           HA       MET  50  18.110   6.440 -18.031
  383    HB2  MET  50           HB2      MET  50  20.335   5.459 -16.222
  384    HB3  MET  50           HB3      MET  50  18.622   5.324 -15.893
  385    HG2  MET  50           HG2      MET  50  20.268   3.459 -17.192
  386    HG3  MET  50           HG3      MET  50  18.572   3.346 -16.918
  387    HE1  MET  50           HE1      MET  50  18.657   1.419 -18.898
  388    HE2  MET  50           HE2      MET  50  19.064   1.782 -20.578
  389    HE3  MET  50           HE3      MET  50  20.336   1.722 -19.358
  390    H    GLU  51           H        GLU  51  21.102   8.141 -17.053
  391    HA   GLU  51           HA       GLU  51  19.737   9.975 -15.344
  392    HB2  GLU  51           HB2      GLU  51  22.102   9.405 -15.053
  393    HB3  GLU  51           HB3      GLU  51  22.486  10.114 -16.634
  394    HG2  GLU  51           HG2      GLU  51  21.873  12.329 -15.819
  395    HG3  GLU  51           HG3      GLU  51  21.270  11.650 -14.301
  396    H    GLU  52           H        GLU  52  20.126   9.682 -18.830
  397    HA   GLU  52           HA       GLU  52  19.541  12.440 -19.349
  398    HB2  GLU  52           HB2      GLU  52  19.135  10.040 -21.156
  399    HB3  GLU  52           HB3      GLU  52  18.666  11.660 -21.596
  400    HG2  GLU  52           HG2      GLU  52  21.507  10.932 -20.799
  401    HG3  GLU  52           HG3      GLU  52  20.911  10.901 -22.445
  402    H    VAL  53           H        VAL  53  17.533   9.618 -18.563
  403    HA   VAL  53           HA       VAL  53  15.171  11.416 -18.494
  404    HB   VAL  53           HB       VAL  53  13.914   9.390 -17.901
  405   HG11  VAL  53          HG11      VAL  53  15.432   9.308 -20.530
  406   HG12  VAL  53          HG12      VAL  53  13.840   8.557 -20.184
  407   HG13  VAL  53          HG13      VAL  53  14.020  10.313 -20.175
  408   HG21  VAL  53          HG21      VAL  53  15.645   7.936 -16.989
  409   HG22  VAL  53          HG22      VAL  53  14.801   7.170 -18.326
  410   HG23  VAL  53          HG23      VAL  53  16.430   7.849 -18.578
  411    H    GLY  54           H        GLY  54  17.668  11.397 -16.604
  412    HA2  GLY  54           HA2      GLY  54  17.972  12.262 -14.530
  413    HA3  GLY  54           HA3      GLY  54  16.225  12.475 -14.392
  414    H    ILE  55           H        ILE  55  17.270   9.210 -15.027
  415    HA   ILE  55           HA       ILE  55  16.393   8.412 -12.333
  416    HB   ILE  55           HB       ILE  55  16.764   6.921 -14.880
  417   HG12  ILE  55          HG12      ILE  55  14.375   7.823 -13.246
  418   HG13  ILE  55          HG13      ILE  55  14.772   8.253 -14.901
  419   HG21  ILE  55          HG21      ILE  55  17.414   5.416 -13.027
  420   HG22  ILE  55          HG22      ILE  55  15.853   5.738 -12.234
  421   HG23  ILE  55          HG23      ILE  55  15.951   4.891 -13.805
  422   HD11  ILE  55          HD11      ILE  55  13.770   5.600 -13.863
  423   HD12  ILE  55          HD12      ILE  55  12.957   6.701 -14.987
  424   HD13  ILE  55          HD13      ILE  55  14.394   5.807 -15.529
  425    H    ASP  56           H        ASP  56  17.636   7.246 -10.911
  426    HA   ASP  56           HA       ASP  56  20.536   6.878 -11.520
  427    HB2  ASP  56           HB2      ASP  56  20.110   8.272  -9.543
  428    HB3  ASP  56           HB3      ASP  56  19.086   7.013  -8.852
  429    H    ILE  57           H        ILE  57  21.031   4.828 -11.977
  430    HA   ILE  57           HA       ILE  57  19.528   2.590 -10.686
  431    HB   ILE  57           HB       ILE  57  20.267   1.176 -12.653
  432   HG12  ILE  57          HG12      ILE  57  20.297   3.744 -14.269
  433   HG13  ILE  57          HG13      ILE  57  21.785   3.113 -13.573
  434   HG21  ILE  57          HG21      ILE  57  17.952   1.622 -12.320
  435   HG22  ILE  57          HG22      ILE  57  18.094   3.270 -12.991
  436   HG23  ILE  57          HG23      ILE  57  18.287   1.852 -14.042
  437   HD11  ILE  57          HD11      ILE  57  21.466   0.958 -14.726
  438   HD12  ILE  57          HD12      ILE  57  20.007   1.596 -15.516
  439   HD13  ILE  57          HD13      ILE  57  21.594   2.339 -15.819
  440    H    SER  58           H        SER  58  22.567   4.101 -11.565
  441    HA   SER  58           HA       SER  58  24.620   2.595 -10.899
  442    HB2  SER  58           HB2      SER  58  24.422   5.164  -9.397
  443    HB3  SER  58           HB3      SER  58  25.627   4.647 -10.585
  444    HG   SER  58           HG       SER  58  24.186   6.415 -11.217
  445    H    GLY  59           H        GLY  59  22.245   3.759  -8.485
  446    HA2  GLY  59           HA2      GLY  59  23.681   2.927  -6.167
  447    HA3  GLY  59           HA3      GLY  59  21.963   3.330  -6.282
  448    H    GLN  60           H        GLN  60  22.103   0.862  -8.502
  449    HA   GLN  60           HA       GLN  60  21.021  -1.061  -6.673
  450    HB2  GLN  60           HB2      GLN  60  21.781  -1.186  -9.612
  451    HB3  GLN  60           HB3      GLN  60  21.421  -2.634  -8.684
  452    HG2  GLN  60           HG2      GLN  60  19.212  -1.486  -8.012
  453    HG3  GLN  60           HG3      GLN  60  19.559  -0.332  -9.307
  454   HE21  GLN  60          HE22      GLN  60  19.377  -1.093 -11.535
  455   HE22  GLN  60          HE21      GLN  60  18.691  -2.676 -11.873
  456    H    THR  61           H        THR  61  21.932  -2.778  -5.777
  457    HA   THR  61           HA       THR  61  24.261  -3.982  -6.767
  458    HB   THR  61           HB       THR  61  24.344  -2.321  -4.359
  459    HG1  THR  61           HG1      THR  61  25.500  -1.975  -6.355
  460   HG21  THR  61          HG21      THR  61  24.596  -4.439  -3.266
  461   HG22  THR  61          HG22      THR  61  25.817  -4.967  -4.457
  462   HG23  THR  61          HG23      THR  61  26.178  -3.642  -3.309
  463    H    SER  62           H        SER  62  22.147  -3.615  -3.915
  464    HA   SER  62           HA       SER  62  20.414  -4.701  -3.154
  465    HB2  SER  62           HB2      SER  62  20.391  -6.458  -5.608
  466    HB3  SER  62           HB3      SER  62  19.048  -6.037  -4.537
  467    HG   SER  62           HG       SER  62  19.099  -4.795  -6.495
  468    H    ASP  63           H        ASP  63  19.573  -6.721  -2.273
  469    HA   ASP  63           HA       ASP  63  21.821  -8.128  -0.976
  470    HB2  ASP  63           HB2      ASP  63  19.209  -7.058  -0.189
  471    HB3  ASP  63           HB3      ASP  63  19.392  -8.753   0.300
  472    HA   PRO  64           HA       PRO  64  20.596 -12.074  -2.711
  473    HB2  PRO  64           HB2      PRO  64  20.604 -13.805  -0.572
  474    HB3  PRO  64           HB3      PRO  64  22.083 -13.216  -1.383
  475    HG2  PRO  64           HG2      PRO  64  20.813 -12.188   1.172
  476    HG3  PRO  64           HG3      PRO  64  22.539 -12.505   0.839
  477    HD2  PRO  64           HD2      PRO  64  21.394 -10.044   0.707
  478    HD3  PRO  64           HD3      PRO  64  22.760 -10.493  -0.362
  479    H    ILE  65           H        ILE  65  18.539 -12.788  -3.193
  480    HA   ILE  65           HA       ILE  65  16.268 -11.605  -2.069
  481    HB   ILE  65           HB       ILE  65  16.737 -12.706  -4.342
  482   HG12  ILE  65          HG12      ILE  65  14.018 -13.121  -3.105
  483   HG13  ILE  65          HG13      ILE  65  14.627 -11.593  -3.713
  484   HG21  ILE  65          HG21      ILE  65  17.272 -14.969  -3.427
  485   HG22  ILE  65          HG22      ILE  65  15.544 -15.193  -3.088
  486   HG23  ILE  65          HG23      ILE  65  16.109 -14.973  -4.755
  487   HD11  ILE  65          HD11      ILE  65  13.199 -12.535  -5.405
  488   HD12  ILE  65          HD12      ILE  65  14.870 -12.626  -5.997
  489   HD13  ILE  65          HD13      ILE  65  14.056 -14.083  -5.371
  490    H    GLU  66           H        GLU  66  18.073 -14.239  -0.930
  491    HA   GLU  66           HA       GLU  66  16.103 -15.785   0.381
  492    HB2  GLU  66           HB2      GLU  66  18.992 -15.482   1.298
  493    HB3  GLU  66           HB3      GLU  66  17.966 -16.920   1.397
  494    HG2  GLU  66           HG2      GLU  66  18.045 -17.002  -1.153
  495    HG3  GLU  66           HG3      GLU  66  19.214 -15.678  -1.072
  496    H    ASN  67           H        ASN  67  17.806 -12.850   1.095
  497    HA   ASN  67           HA       ASN  67  17.513 -12.813   3.930
  498    HB2  ASN  67           HB2      ASN  67  19.158 -11.490   2.435
  499    HB3  ASN  67           HB3      ASN  67  17.854 -10.306   2.310
  500   HD21  ASN  67          HD22      ASN  67  19.988  -9.198   3.384
  501   HD22  ASN  67          HD21      ASN  67  19.947  -9.170   5.135
  502    H    PHE  68           H        PHE  68  15.083 -12.772   1.781
  503    HA   PHE  68           HA       PHE  68  13.249 -11.027   3.358
  504    HB2  PHE  68           HB2      PHE  68  13.220 -11.381   0.330
  505    HB3  PHE  68           HB3      PHE  68  12.182 -10.322   1.280
  506    HD1  PHE  68           HD1      PHE  68  15.534 -10.856  -0.046
  507    HD2  PHE  68           HD2      PHE  68  13.001  -8.187   2.139
  508    HE1  PHE  68           HE1      PHE  68  17.245  -9.047  -0.312
  509    HE2  PHE  68           HE2      PHE  68  14.680  -6.347   1.870
  510    HZ   PHE  68           HZ       PHE  68  16.801  -6.782   0.645
  511    H    ASN  69           H        ASN  69  10.898 -11.645   2.213
  512    HA   ASN  69           HA       ASN  69  10.798 -14.471   1.686
  513    HB2  ASN  69           HB2      ASN  69  10.126 -14.064   4.153
  514    HB3  ASN  69           HB3      ASN  69   8.785 -13.086   3.500
  515   HD21  ASN  69          HD22      ASN  69   8.212 -15.223   5.214
  516   HD22  ASN  69          HD21      ASN  69   7.440 -16.489   4.297
  517    H    ALA  70           H        ALA  70   8.967 -14.940   0.200
  518    HA   ALA  70           HA       ALA  70   8.494 -12.581  -1.369
  519    HB1  ALA  70           HB1      ALA  70   9.063 -14.886  -2.380
  520    HB2  ALA  70           HB2      ALA  70   7.453 -15.409  -1.851
  521    HB3  ALA  70           HB3      ALA  70   7.620 -14.101  -3.044
  522    H    ASP  71           H        ASP  71   6.954 -14.598   1.029
  523    HA   ASP  71           HA       ASP  71   4.316 -14.016   0.420
  524    HB2  ASP  71           HB2      ASP  71   4.988 -15.796   1.976
  525    HB3  ASP  71           HB3      ASP  71   5.595 -14.584   3.118
  526    H    ASP  72           H        ASP  72   6.759 -11.971   1.874
  527    HA   ASP  72           HA       ASP  72   4.934 -10.113   3.125
  528    HB2  ASP  72           HB2      ASP  72   7.259 -10.523   3.948
  529    HB3  ASP  72           HB3      ASP  72   7.868  -9.837   2.436
  530    H    TYR  73           H        TYR  73   6.400 -10.626   0.025
  531    HA   TYR  73           HA       TYR  73   6.096  -7.921  -0.947
  532    HB2  TYR  73           HB2      TYR  73   7.314 -10.453  -2.029
  533    HB3  TYR  73           HB3      TYR  73   6.874  -9.183  -3.148
  534    HD1  TYR  73           HD2      TYR  73   8.712  -9.606   0.122
  535    HD2  TYR  73           HD1      TYR  73   8.431  -7.480  -3.625
  536    HE1  TYR  73           HE2      TYR  73  10.628  -8.220   0.785
  537    HE2  TYR  73           HE1      TYR  73  10.378  -6.089  -2.971
  538    HH   TYR  73           HH       TYR  73  11.993  -6.432   0.236
  539    H    ASP  74           H        ASP  74   5.096  -7.713  -3.265
  540    HA   ASP  74           HA       ASP  74   2.457  -9.141  -3.311
  541    HB2  ASP  74           HB2      ASP  74   2.167  -6.812  -2.613
  542    HB3  ASP  74           HB3      ASP  74   3.032  -6.264  -4.051
  543    H    VAL  75           H        VAL  75   5.078  -7.586  -5.267
  544    HA   VAL  75           HA       VAL  75   4.187  -9.218  -7.559
  545    HB   VAL  75           HB       VAL  75   3.149  -7.230  -7.988
  546   HG11  VAL  75          HG11      VAL  75   3.743  -5.756  -6.256
  547   HG12  VAL  75          HG12      VAL  75   5.358  -5.550  -6.935
  548   HG13  VAL  75          HG13      VAL  75   3.951  -4.945  -7.804
  549   HG21  VAL  75          HG21      VAL  75   4.576  -7.913  -9.885
  550   HG22  VAL  75          HG22      VAL  75   4.284  -6.159  -9.855
  551   HG23  VAL  75          HG23      VAL  75   5.846  -6.818  -9.324
  552    H    VAL  76           H        VAL  76   5.741 -10.083  -8.812
  553    HA   VAL  76           HA       VAL  76   8.550  -9.262  -8.404
  554    HB   VAL  76           HB       VAL  76   7.350 -12.001  -7.965
  555   HG11  VAL  76          HG11      VAL  76   9.480 -12.269  -9.173
  556   HG12  VAL  76          HG12      VAL  76  10.307 -11.197  -8.021
  557   HG13  VAL  76          HG13      VAL  76   9.690 -12.768  -7.499
  558   HG21  VAL  76          HG21      VAL  76   8.184 -11.953  -5.713
  559   HG22  VAL  76          HG22      VAL  76   9.032 -10.409  -5.961
  560   HG23  VAL  76          HG23      VAL  76   7.263 -10.489  -5.924
  561    H    ILE  77           H        ILE  77   9.572  -9.306 -10.322
  562    HA   ILE  77           HA       ILE  77   8.139 -10.447 -12.684
  563    HB   ILE  77           HB       ILE  77   9.846  -7.951 -12.404
  564   HG12  ILE  77          HG12      ILE  77   7.732  -7.587 -11.213
  565   HG13  ILE  77          HG13      ILE  77   7.879  -6.581 -12.620
  566   HG21  ILE  77          HG21      ILE  77   8.335  -9.065 -14.788
  567   HG22  ILE  77          HG22      ILE  77   8.906  -7.388 -14.688
  568   HG23  ILE  77          HG23      ILE  77  10.078  -8.713 -14.637
  569   HD11  ILE  77          HD11      ILE  77   5.592  -7.555 -12.254
  570   HD12  ILE  77          HD12      ILE  77   6.269  -7.884 -13.853
  571   HD13  ILE  77          HD13      ILE  77   6.245  -9.158 -12.605
  572    H    SER  78           H        SER  78   9.332 -11.954 -13.758
  573    HA   SER  78           HA       SER  78  12.245 -12.019 -13.213
  574    HB2  SER  78           HB2      SER  78  10.439 -14.028 -14.601
  575    HB3  SER  78           HB3      SER  78  12.213 -14.098 -14.586
  576    HG   SER  78           HG       SER  78  11.496 -15.314 -12.850
  577    H    LEU  79           H        LEU  79  13.485 -10.936 -14.570
  578    HA   LEU  79           HA       LEU  79  12.341  -9.796 -17.058
  579    HB2  LEU  79           HB2      LEU  79  15.029  -9.468 -15.682
  580    HB3  LEU  79           HB3      LEU  79  14.574  -8.644 -17.171
  581    HG   LEU  79           HG       LEU  79  12.986  -8.269 -14.587
  582   HD11  LEU  79          HD11      LEU  79  14.402  -6.193 -14.377
  583   HD12  LEU  79          HD12      LEU  79  15.362  -7.670 -14.259
  584   HD13  LEU  79          HD13      LEU  79  15.332  -6.724 -15.781
  585   HD21  LEU  79          HD21      LEU  79  12.269  -6.195 -15.687
  586   HD22  LEU  79          HD22      LEU  79  13.232  -6.598 -17.126
  587   HD23  LEU  79          HD23      LEU  79  11.823  -7.589 -16.666
  588    H    CYS  80           H        CYS  80  13.465 -12.776 -16.295
  589    HA   CYS  80           HA       CYS  80  13.747 -13.407 -19.023
  590    HB2  CYS  80           HB2      CYS  80  15.998 -14.446 -18.935
  591    HB3  CYS  80           HB3      CYS  80  16.117 -12.716 -18.657
  592    H    GLY  81           H        GLY  81  13.073 -15.552 -19.275
  593    HA2  GLY  81           HA2      GLY  81  12.431 -17.688 -18.809
  594    HA3  GLY  81           HA3      GLY  81  13.715 -17.689 -17.605
  595    H    SER  82           H        SER  82  12.285 -19.198 -16.521
  596    HA   SER  82           HA       SER  82  10.945 -17.846 -14.355
  597    HB2  SER  82           HB2      SER  82   8.937 -19.422 -14.472
  598    HB3  SER  82           HB3      SER  82   8.950 -18.083 -15.621
  599    HG   SER  82           HG       SER  82   9.562 -19.490 -17.269
  600    H    GLY  83           H        GLY  83  10.992 -19.210 -12.451
  601    HA2  GLY  83           HA2      GLY  83  11.997 -20.736 -11.065
  602    HA3  GLY  83           HA3      GLY  83  11.759 -21.915 -12.368
  603    H    VAL  84           H        VAL  84  13.804 -18.955 -12.216
  604    HA   VAL  84           HA       VAL  84  15.909 -20.339 -13.641
  605    HB   VAL  84           HB       VAL  84  16.949 -18.101 -13.791
  606   HG11  VAL  84          HG11      VAL  84  15.316 -17.184 -15.315
  607   HG12  VAL  84          HG12      VAL  84  15.333 -18.943 -15.468
  608   HG13  VAL  84          HG13      VAL  84  14.018 -18.143 -14.582
  609   HG21  VAL  84          HG21      VAL  84  14.451 -17.038 -12.368
  610   HG22  VAL  84          HG22      VAL  84  16.087 -17.063 -11.673
  611   HG23  VAL  84          HG23      VAL  84  15.749 -16.093 -13.110
  612    H    ASN  85           H        ASN  85  15.822 -21.718 -11.464
  613    HA   ASN  85           HA       ASN  85  16.953 -22.624  -9.728
  614    HB2  ASN  85           HB2      ASN  85  18.840 -22.689 -11.337
  615    HB3  ASN  85           HB3      ASN  85  19.386 -21.112 -10.753
  616   HD21  ASN  85          HD22      ASN  85  18.532 -24.424  -9.474
  617   HD22  ASN  85          HD21      ASN  85  19.791 -24.430  -8.263
  618    H    LEU  86           H        LEU  86  15.295 -20.986  -8.966
  619    HA   LEU  86           HA       LEU  86  16.346 -19.222  -6.876
  620    HB2  LEU  86           HB2      LEU  86  16.361 -17.665  -8.579
  621    HB3  LEU  86           HB3      LEU  86  15.099 -18.416  -9.502
  622    HG   LEU  86           HG       LEU  86  14.317 -17.132  -6.893
  623   HD11  LEU  86          HD11      LEU  86  14.040 -14.957  -8.081
  624   HD12  LEU  86          HD12      LEU  86  15.741 -15.418  -7.947
  625   HD13  LEU  86          HD13      LEU  86  14.890 -15.629  -9.496
  626   HD21  LEU  86          HD21      LEU  86  13.057 -17.316  -9.698
  627   HD22  LEU  86          HD22      LEU  86  12.629 -18.357  -8.339
  628   HD23  LEU  86          HD23      LEU  86  12.287 -16.624  -8.248
  629    HA   PRO  87           HA       PRO  87  13.088 -21.274  -5.005
  630    HB2  PRO  87           HB2      PRO  87  12.370 -18.911  -3.297
  631    HB3  PRO  87           HB3      PRO  87  12.735 -20.594  -2.816
  632    HG2  PRO  87           HG2      PRO  87  14.622 -18.648  -2.559
  633    HG3  PRO  87           HG3      PRO  87  15.067 -20.283  -3.148
  634    HD2  PRO  87           HD2      PRO  87  14.570 -17.777  -4.767
  635    HD3  PRO  87           HD3      PRO  87  15.894 -18.970  -4.896
  636    HA   PRO  88           HA       PRO  88   9.643 -20.373  -7.473
  637    HB2  PRO  88           HB2      PRO  88   7.693 -22.116  -6.593
  638    HB3  PRO  88           HB3      PRO  88   9.161 -22.639  -7.474
  639    HG2  PRO  88           HG2      PRO  88   8.712 -22.576  -4.471
  640    HG3  PRO  88           HG3      PRO  88   9.358 -23.926  -5.461
  641    HD2  PRO  88           HD2      PRO  88  11.027 -22.249  -4.145
  642    HD3  PRO  88           HD3      PRO  88  11.427 -22.797  -5.802
  643    H    GLU  89           H        GLU  89   8.983 -19.945  -3.974
  644    HA   GLU  89           HA       GLU  89   6.414 -18.858  -4.386
  645    HB2  GLU  89           HB2      GLU  89   6.660 -17.847  -2.164
  646    HB3  GLU  89           HB3      GLU  89   7.084 -19.547  -2.173
  647    HG2  GLU  89           HG2      GLU  89   9.328 -17.552  -2.494
  648    HG3  GLU  89           HG3      GLU  89   8.524 -17.645  -0.937
  649    H    TRP  90           H        TRP  90   9.433 -17.543  -5.299
  650    HA   TRP  90           HA       TRP  90   8.632 -14.741  -5.205
  651    HB2  TRP  90           HB2      TRP  90  10.899 -16.285  -6.490
  652    HB3  TRP  90           HB3      TRP  90  10.717 -14.547  -6.673
  653    HD1  TRP  90           HD1      TRP  90  12.202 -17.018  -4.343
  654    HE1  TRP  90           HE1      TRP  90  12.807 -15.987  -2.076
  655    HE3  TRP  90           HE3      TRP  90  10.087 -12.466  -4.996
  656    HZ2  TRP  90           HZ2      TRP  90  12.247 -13.493  -0.648
  657    HZ3  TRP  90           HZ3      TRP  90   9.992 -10.807  -3.155
  658    HH2  TRP  90           HH2      TRP  90  11.071 -11.296  -0.998
  659    H    VAL  91           H        VAL  91   8.828 -17.266  -7.723
  660    HA   VAL  91           HA       VAL  91   7.693 -15.464  -9.680
  661    HB   VAL  91           HB       VAL  91   7.929 -17.368 -11.220
  662   HG11  VAL  91          HG11      VAL  91   9.718 -15.671 -10.872
  663   HG12  VAL  91          HG12      VAL  91  10.457 -16.715  -9.654
  664   HG13  VAL  91          HG13      VAL  91  10.363 -17.249 -11.341
  665   HG21  VAL  91          HG21      VAL  91   7.736 -19.241  -9.541
  666   HG22  VAL  91          HG22      VAL  91   9.120 -19.381 -10.632
  667   HG23  VAL  91          HG23      VAL  91   9.369 -18.816  -8.968
  668    H    THR  92           H        THR  92   6.224 -17.368  -7.232
  669    HA   THR  92           HA       THR  92   3.722 -17.274  -8.802
  670    HB   THR  92           HB       THR  92   2.933 -18.926  -7.183
  671    HG1  THR  92           HG1      THR  92   3.883 -18.497  -5.289
  672   HG21  THR  92          HG21      THR  92   5.730 -19.704  -8.049
  673   HG22  THR  92          HG22      THR  92   4.380 -20.789  -7.680
  674   HG23  THR  92          HG23      THR  92   4.302 -19.720  -9.107
  675    H    GLN  93           H        GLN  93   4.915 -14.812  -7.521
  676    HA   GLN  93           HA       GLN  93   3.135 -14.288  -5.360
  677    HB2  GLN  93           HB2      GLN  93   4.978 -12.524  -7.033
  678    HB3  GLN  93           HB3      GLN  93   3.862 -11.797  -5.896
  679    HG2  GLN  93           HG2      GLN  93   6.061 -13.775  -5.224
  680    HG3  GLN  93           HG3      GLN  93   5.941 -12.087  -4.727
  681   HE21  GLN  93          HE22      GLN  93   5.574 -15.164  -3.554
  682   HE22  GLN  93          HE21      GLN  93   4.374 -14.860  -2.302
  683    H    GLU  94           H        GLU  94   1.749 -12.054  -5.583
  684    HA   GLU  94           HA       GLU  94  -0.650 -13.100  -6.590
  685    HB2  GLU  94           HB2      GLU  94   0.055 -10.187  -6.006
  686    HB3  GLU  94           HB3      GLU  94  -1.575 -10.817  -6.198
  687    HG2  GLU  94           HG2      GLU  94   0.383 -11.619  -4.002
  688    HG3  GLU  94           HG3      GLU  94  -0.982 -10.529  -3.831
  689    H    ILE  95           H        ILE  95   1.740 -11.137  -8.201
  690    HA   ILE  95           HA       ILE  95   0.478 -11.715 -10.771
  691    HB   ILE  95           HB       ILE  95  -0.126  -9.452 -10.684
  692   HG12  ILE  95          HG12      ILE  95   2.651  -9.407 -11.955
  693   HG13  ILE  95          HG13      ILE  95   1.241 -10.149 -12.704
  694   HG21  ILE  95          HG21      ILE  95   0.935  -8.718  -8.643
  695   HG22  ILE  95          HG22      ILE  95   2.547  -8.880  -9.375
  696   HG23  ILE  95          HG23      ILE  95   1.430  -7.621  -9.910
  697   HD11  ILE  95          HD11      ILE  95   0.118  -7.952 -12.822
  698   HD12  ILE  95          HD12      ILE  95   1.517  -7.188 -12.042
  699   HD13  ILE  95          HD13      ILE  95   1.706  -7.917 -13.624
  700    H    PHE  96           H        PHE  96   1.959 -12.673 -12.013
  701    HA   PHE  96           HA       PHE  96   4.841 -12.359 -11.400
  702    HB2  PHE  96           HB2      PHE  96   4.354 -14.580 -10.739
  703    HB3  PHE  96           HB3      PHE  96   3.406 -14.889 -12.206
  704    HD1  PHE  96           HD2      PHE  96   6.841 -13.627 -11.245
  705    HD2  PHE  96           HD1      PHE  96   4.502 -16.033 -13.967
  706    HE1  PHE  96           HE2      PHE  96   8.876 -14.185 -12.510
  707    HE2  PHE  96           HE1      PHE  96   6.570 -16.619 -15.211
  708    HZ   PHE  96           HZ       PHE  96   8.759 -15.699 -14.494
  709    H    GLU  97           H        GLU  97   6.043 -11.959 -13.361
  710    HA   GLU  97           HA       GLU  97   4.700 -12.304 -15.925
  711    HB2  GLU  97           HB2      GLU  97   6.014  -9.677 -15.146
  712    HB3  GLU  97           HB3      GLU  97   5.550 -10.111 -16.771
  713    HG2  GLU  97           HG2      GLU  97   3.555  -9.791 -14.489
  714    HG3  GLU  97           HG3      GLU  97   4.058  -8.499 -15.561
  715    H    ASP  98           H        ASP  98   6.182 -12.782 -17.504
  716    HA   ASP  98           HA       ASP  98   9.077 -12.876 -16.802
  717    HB2  ASP  98           HB2      ASP  98   8.486 -15.135 -17.135
  718    HB3  ASP  98           HB3      ASP  98   7.434 -14.746 -18.501
  719    H    TRP  99           H        TRP  99   9.946 -11.121 -17.755
  720    HA   TRP  99           HA       TRP  99   8.523  -9.882 -20.079
  721    HB2  TRP  99           HB2      TRP  99  10.305  -8.786 -17.905
  722    HB3  TRP  99           HB3      TRP  99  10.103  -7.940 -19.419
  723    HD1  TRP  99           HD1      TRP  99   9.539  -6.397 -17.018
  724    HE1  TRP  99           HE1      TRP  99   7.260  -5.376 -16.518
  725    HE3  TRP  99           HE3      TRP  99   6.530  -9.626 -19.716
  726    HZ2  TRP  99           HZ2      TRP  99   4.544  -5.717 -17.380
  727    HZ3  TRP  99           HZ3      TRP  99   4.129  -9.174 -19.899
  728    HH2  TRP  99           HH2      TRP  99   3.113  -7.220 -18.749
  729    H    GLN 100           H        GLN 100   9.413 -10.057 -22.034
  730    HA   GLN 100           HA       GLN 100  12.308 -10.681 -22.239
  731    HB2  GLN 100           HB2      GLN 100  10.118 -10.538 -24.343
  732    HB3  GLN 100           HB3      GLN 100  11.823 -10.789 -24.711
  733    HG2  GLN 100           HG2      GLN 100  10.155 -12.649 -22.959
  734    HG3  GLN 100           HG3      GLN 100  10.456 -12.877 -24.677
  735   HE21  GLN 100          HE22      GLN 100  11.225 -15.042 -23.584
  736   HE22  GLN 100          HE21      GLN 100  12.940 -15.114 -23.239
  737    H    LEU 101           H        LEU 101  13.667  -9.031 -22.228
  738    HA   LEU 101           HA       LEU 101  13.006  -6.443 -23.463
  739    HB2  LEU 101           HB2      LEU 101  13.728  -6.921 -20.519
  740    HB3  LEU 101           HB3      LEU 101  14.134  -5.408 -21.309
  741    HG   LEU 101           HG       LEU 101  11.305  -6.458 -21.140
  742   HD11  LEU 101          HD11      LEU 101  11.712  -6.208 -18.939
  743   HD12  LEU 101          HD12      LEU 101  12.831  -4.875 -19.125
  744   HD13  LEU 101          HD13      LEU 101  11.070  -4.617 -19.347
  745   HD21  LEU 101          HD21      LEU 101  10.749  -4.022 -21.588
  746   HD22  LEU 101          HD22      LEU 101  12.439  -3.844 -22.117
  747   HD23  LEU 101          HD23      LEU 101  11.362  -4.971 -22.937
  748    H    GLU 102           H        GLU 102  14.817  -5.974 -24.705
  749    HA   GLU 102           HA       GLU 102  17.172  -7.573 -24.597
  750    HB2  GLU 102           HB2      GLU 102  16.406  -4.960 -25.932
  751    HB3  GLU 102           HB3      GLU 102  18.076  -5.500 -25.973
  752    HG2  GLU 102           HG2      GLU 102  15.729  -7.155 -26.976
  753    HG3  GLU 102           HG3      GLU 102  16.733  -6.109 -27.985
  754    H    ASP 103           H        ASP 103  19.370  -6.760 -24.020
  755    HA   ASP 103           HA       ASP 103  19.381  -4.662 -21.972
  756    HB2  ASP 103           HB2      ASP 103  19.818  -6.835 -20.903
  757    HB3  ASP 103           HB3      ASP 103  21.153  -7.132 -22.030
  758    HA   PRO 104           HA       PRO 104  21.881  -3.033 -25.186
  759    HB2  PRO 104           HB2      PRO 104  22.392  -0.606 -24.284
  760    HB3  PRO 104           HB3      PRO 104  20.706  -1.177 -24.482
  761    HG2  PRO 104           HG2      PRO 104  22.330  -1.182 -21.900
  762    HG3  PRO 104           HG3      PRO 104  20.714  -0.439 -22.172
  763    HD2  PRO 104           HD2      PRO 104  21.005  -2.952 -21.185
  764    HD3  PRO 104           HD3      PRO 104  19.693  -2.538 -22.322
  765    H    ASP 105           H        ASP 105  23.495  -3.984 -22.220
  766    HA   ASP 105           HA       ASP 105  25.772  -2.449 -22.150
  767    HB2  ASP 105           HB2      ASP 105  25.403  -3.962 -20.393
  768    HB3  ASP 105           HB3      ASP 105  25.428  -5.359 -21.482
  769    H    GLY 106           H        GLY 106  25.417  -5.507 -23.964
  770    HA2  GLY 106           HA2      GLY 106  28.090  -5.319 -25.111
  771    HA3  GLY 106           HA3      GLY 106  26.906  -6.604 -25.371
  772    H    GLN 107           H        GLN 107  25.682  -3.369 -25.941
  773    HA   GLN 107           HA       GLN 107  25.871  -3.793 -28.878
  774    HB2  GLN 107           HB2      GLN 107  23.288  -2.960 -27.574
  775    HB3  GLN 107           HB3      GLN 107  23.588  -3.637 -29.183
  776    HG2  GLN 107           HG2      GLN 107  24.259  -5.809 -27.851
  777    HG3  GLN 107           HG3      GLN 107  23.422  -5.019 -26.505
  778   HE21  GLN 107          HE22      GLN 107  21.450  -6.005 -26.230
  779   HE22  GLN 107          HE21      GLN 107  20.414  -6.560 -27.540
  780    H    SER 108           H        SER 108  24.798  -1.769 -29.987
  781    HA   SER 108           HA       SER 108  26.484   0.417 -29.286
  782    HB2  SER 108           HB2      SER 108  24.326   0.224 -31.419
  783    HB3  SER 108           HB3      SER 108  25.709   1.339 -31.399
  784    HG   SER 108           HG       SER 108  26.115  -0.492 -32.735
  785    H    LEU 109           H        LEU 109  25.655   2.752 -29.353
  786    HA   LEU 109           HA       LEU 109  24.144   3.411 -27.151
  787    HB2  LEU 109           HB2      LEU 109  25.777   4.796 -28.414
  788    HB3  LEU 109           HB3      LEU 109  24.580   5.019 -29.693
  789    HG   LEU 109           HG       LEU 109  23.118   6.256 -28.128
  790   HD11  LEU 109          HD11      LEU 109  23.606   5.220 -25.982
  791   HD12  LEU 109          HD12      LEU 109  25.323   5.691 -26.096
  792   HD13  LEU 109          HD13      LEU 109  24.057   6.925 -25.884
  793   HD21  LEU 109          HD21      LEU 109  26.008   7.222 -28.117
  794   HD22  LEU 109          HD22      LEU 109  24.834   7.460 -29.427
  795   HD23  LEU 109          HD23      LEU 109  24.570   8.236 -27.855
  796    H    GLU 110           H        GLU 110  22.942   2.983 -30.479
  797    HA   GLU 110           HA       GLU 110  20.323   3.948 -30.133
  798    HB2  GLU 110           HB2      GLU 110  19.741   2.209 -31.916
  799    HB3  GLU 110           HB3      GLU 110  20.955   3.432 -32.331
  800    HG2  GLU 110           HG2      GLU 110  22.748   1.775 -31.976
  801    HG3  GLU 110           HG3      GLU 110  21.547   0.561 -31.515
  802    H    VAL 111           H        VAL 111  21.734   0.880 -29.046
  803    HA   VAL 111           HA       VAL 111  19.157  -0.296 -28.528
  804    HB   VAL 111           HB       VAL 111  21.846  -1.238 -27.572
  805   HG11  VAL 111          HG11      VAL 111  19.298  -2.818 -28.120
  806   HG12  VAL 111          HG12      VAL 111  20.836  -3.431 -27.470
  807   HG13  VAL 111          HG13      VAL 111  19.856  -2.335 -26.504
  808   HG21  VAL 111          HG21      VAL 111  20.409  -1.549 -30.249
  809   HG22  VAL 111          HG22      VAL 111  22.096  -1.097 -29.957
  810   HG23  VAL 111          HG23      VAL 111  21.568  -2.771 -29.705
  811    H    PHE 112           H        PHE 112  21.683   1.346 -26.501
  812    HA   PHE 112           HA       PHE 112  20.302   1.089 -24.008
  813    HB2  PHE 112           HB2      PHE 112  21.998   3.404 -25.066
  814    HB3  PHE 112           HB3      PHE 112  21.381   3.276 -23.424
  815    HD1  PHE 112           HD1      PHE 112  23.811   1.776 -25.823
  816    HD2  PHE 112           HD2      PHE 112  22.333   1.843 -21.771
  817    HE1  PHE 112           HE1      PHE 112  25.739   0.421 -25.097
  818    HE2  PHE 112           HE2      PHE 112  24.268   0.454 -21.055
  819    HZ   PHE 112           HZ       PHE 112  25.974  -0.256 -22.731
  820    H    ARG 113           H        ARG 113  19.989   3.582 -26.564
  821    HA   ARG 113           HA       ARG 113  17.884   5.030 -25.282
  822    HB2  ARG 113           HB2      ARG 113  18.751   4.756 -28.196
  823    HB3  ARG 113           HB3      ARG 113  17.522   5.910 -27.664
  824    HG2  ARG 113           HG2      ARG 113  19.044   7.140 -26.333
  825    HG3  ARG 113           HG3      ARG 113  20.283   5.880 -26.367
  826    HD2  ARG 113           HD2      ARG 113  20.781   6.266 -28.672
  827    HD3  ARG 113           HD3      ARG 113  19.377   7.356 -28.849
  828    HE   ARG 113           HE       ARG 113  21.116   8.303 -26.778
  829   HH11  ARG 113          HH11      ARG 113  20.961   8.127 -30.334
  830   HH12  ARG 113          HH12      ARG 113  21.889   9.560 -30.582
  831   HH21  ARG 113          HH21      ARG 113  22.313  10.229 -27.112
  832   HH22  ARG 113          HH22      ARG 113  22.694  10.771 -28.705
  833    H    THR 114           H        THR 114  17.704   2.263 -27.615
  834    HA   THR 114           HA       THR 114  14.883   2.228 -27.828
  835    HB   THR 114           HB       THR 114  17.179   0.301 -28.223
  836    HG1  THR 114           HG1      THR 114  17.079   1.795 -29.792
  837   HG21  THR 114          HG21      THR 114  15.646  -1.215 -29.427
  838   HG22  THR 114          HG22      THR 114  15.480  -1.198 -27.664
  839   HG23  THR 114          HG23      THR 114  14.276  -0.345 -28.663
  840    H    VAL 115           H        VAL 115  17.131   0.382 -25.641
  841    HA   VAL 115           HA       VAL 115  15.035  -1.130 -24.496
  842    HB   VAL 115           HB       VAL 115  17.885  -0.552 -23.605
  843   HG11  VAL 115          HG11      VAL 115  15.898  -2.544 -22.415
  844   HG12  VAL 115          HG12      VAL 115  17.618  -2.495 -22.043
  845   HG13  VAL 115          HG13      VAL 115  16.595  -1.142 -21.565
  846   HG21  VAL 115          HG21      VAL 115  18.281  -2.838 -24.423
  847   HG22  VAL 115          HG22      VAL 115  16.541  -3.047 -24.741
  848   HG23  VAL 115          HG23      VAL 115  17.488  -1.926 -25.720
  849    H    ARG 116           H        ARG 116  16.463   2.002 -23.575
  850    HA   ARG 116           HA       ARG 116  15.087   2.307 -21.136
  851    HB2  ARG 116           HB2      ARG 116  16.876   3.791 -22.004
  852    HB3  ARG 116           HB3      ARG 116  15.785   4.411 -23.255
  853    HG2  ARG 116           HG2      ARG 116  14.299   5.334 -21.542
  854    HG3  ARG 116           HG3      ARG 116  15.302   4.623 -20.262
  855    HD2  ARG 116           HD2      ARG 116  15.694   7.028 -20.550
  856    HD3  ARG 116           HD3      ARG 116  17.134   6.045 -20.728
  857    HE   ARG 116           HE       ARG 116  17.442   6.943 -22.778
  858   HH11  ARG 116          HH11      ARG 116  13.917   7.252 -22.225
  859   HH12  ARG 116          HH12      ARG 116  13.671   8.202 -23.637
  860   HH21  ARG 116          HH21      ARG 116  17.065   8.229 -24.639
  861   HH22  ARG 116          HH22      ARG 116  15.467   8.727 -25.036
  862    H    GLY 117           H        GLY 117  13.922   2.990 -24.496
  863    HA2  GLY 117           HA2      GLY 117  11.296   3.848 -23.771
  864    HA3  GLY 117           HA3      GLY 117  11.799   3.178 -25.335
  865    H    GLN 118           H        GLN 118  12.466   0.582 -24.869
  866    HA   GLN 118           HA       GLN 118   9.936  -0.656 -24.716
  867    HB2  GLN 118           HB2      GLN 118  12.574  -2.065 -24.191
  868    HB3  GLN 118           HB3      GLN 118  11.042  -2.781 -24.703
  869    HG2  GLN 118           HG2      GLN 118  11.367  -1.124 -26.793
  870    HG3  GLN 118           HG3      GLN 118  13.072  -1.253 -26.301
  871   HE21  GLN 118          HE22      GLN 118  13.395  -3.834 -25.477
  872   HE22  GLN 118          HE21      GLN 118  13.058  -4.928 -26.810
  873    H    VAL 119           H        VAL 119  12.471  -0.387 -22.256
  874    HA   VAL 119           HA       VAL 119  11.083  -2.074 -20.380
  875    HB   VAL 119           HB       VAL 119  13.354  -0.106 -19.948
  876   HG11  VAL 119          HG11      VAL 119  13.745  -1.503 -17.876
  877   HG12  VAL 119          HG12      VAL 119  12.265  -0.516 -17.808
  878   HG13  VAL 119          HG13      VAL 119  12.160  -2.265 -18.148
  879   HG21  VAL 119          HG21      VAL 119  13.845  -2.080 -21.474
  880   HG22  VAL 119          HG22      VAL 119  14.769  -2.131 -19.968
  881   HG23  VAL 119          HG23      VAL 119  13.340  -3.157 -20.186
  882    H    LYS 120           H        LYS 120  11.227   1.536 -20.811
  883    HA   LYS 120           HA       LYS 120   9.645   2.212 -18.569
  884    HB2  LYS 120           HB2      LYS 120  10.729   3.833 -20.149
  885    HB3  LYS 120           HB3      LYS 120   9.560   3.370 -21.408
  886    HG2  LYS 120           HG2      LYS 120   7.702   4.254 -20.078
  887    HG3  LYS 120           HG3      LYS 120   8.804   4.640 -18.740
  888    HD2  LYS 120           HD2      LYS 120  10.068   6.201 -20.141
  889    HD3  LYS 120           HD3      LYS 120   9.095   5.811 -21.553
  890    HE2  LYS 120           HE2      LYS 120   7.911   7.017 -19.008
  891    HE3  LYS 120           HE3      LYS 120   8.584   8.000 -20.309
  892    HZ1  LYS 120           HZ1      LYS 120   6.269   6.141 -20.608
  893    HZ2  LYS 120           HZ2      LYS 120   6.214   7.773 -20.576
  894    HZ3  LYS 120           HZ3      LYS 120   6.946   7.022 -21.827
  895    H    GLU 121           H        GLU 121   8.667   1.178 -21.870
  896    HA   GLU 121           HA       GLU 121   5.907   1.527 -21.441
  897    HB2  GLU 121           HB2      GLU 121   7.024   1.495 -23.595
  898    HB3  GLU 121           HB3      GLU 121   7.448  -0.209 -23.405
  899    HG2  GLU 121           HG2      GLU 121   5.078  -0.851 -23.407
  900    HG3  GLU 121           HG3      GLU 121   4.592   0.850 -23.475
  901    H    ARG 122           H        ARG 122   7.921  -1.478 -21.121
  902    HA   ARG 122           HA       ARG 122   5.679  -3.121 -20.330
  903    HB2  ARG 122           HB2      ARG 122   8.653  -3.464 -19.771
  904    HB3  ARG 122           HB3      ARG 122   7.396  -4.607 -19.313
  905    HG2  ARG 122           HG2      ARG 122   6.746  -4.407 -21.934
  906    HG3  ARG 122           HG3      ARG 122   8.458  -3.985 -22.052
  907    HD2  ARG 122           HD2      ARG 122   8.880  -6.079 -20.574
  908    HD3  ARG 122           HD3      ARG 122   7.196  -6.495 -20.870
  909    HE   ARG 122           HE       ARG 122   9.475  -6.755 -22.671
  910   HH11  ARG 122          HH11      ARG 122   5.903  -6.553 -22.682
  911   HH12  ARG 122          HH12      ARG 122   5.760  -7.304 -24.225
  912   HH21  ARG 122          HH21      ARG 122   9.270  -7.773 -24.630
  913   HH22  ARG 122          HH22      ARG 122   7.721  -8.008 -25.377
  914    H    VAL 123           H        VAL 123   7.927  -1.135 -18.379
  915    HA   VAL 123           HA       VAL 123   6.819  -2.051 -15.863
  916    HB   VAL 123           HB       VAL 123   8.427   0.388 -16.524
  917   HG11  VAL 123          HG11      VAL 123   7.845  -0.876 -13.823
  918   HG12  VAL 123          HG12      VAL 123   9.016   0.432 -14.153
  919   HG13  VAL 123          HG13      VAL 123   7.285   0.712 -14.385
  920   HG21  VAL 123          HG21      VAL 123  10.362  -0.837 -15.726
  921   HG22  VAL 123          HG22      VAL 123   9.355  -2.221 -15.234
  922   HG23  VAL 123          HG23      VAL 123   9.594  -1.853 -16.945
  923    H    GLU 124           H        GLU 124   6.050   0.735 -18.063
  924    HA   GLU 124           HA       GLU 124   4.040   1.854 -16.432
  925    HB2  GLU 124           HB2      GLU 124   4.645   1.884 -19.406
  926    HB3  GLU 124           HB3      GLU 124   3.044   2.405 -18.863
  927    HG2  GLU 124           HG2      GLU 124   4.243   3.988 -17.262
  928    HG3  GLU 124           HG3      GLU 124   5.723   3.610 -18.162
  929    H    ASN 125           H        ASN 125   3.846  -0.763 -18.843
  930    HA   ASN 125           HA       ASN 125   1.041  -1.130 -18.650
  931    HB2  ASN 125           HB2      ASN 125   2.422  -2.137 -20.456
  932    HB3  ASN 125           HB3      ASN 125   3.192  -3.206 -19.276
  933   HD21  ASN 125          HD22      ASN 125   0.014  -2.431 -20.803
  934   HD22  ASN 125          HD21      ASN 125  -0.689  -3.995 -20.477
  935    H    LEU 126           H        LEU 126   3.680  -2.771 -16.825
  936    HA   LEU 126           HA       LEU 126   2.153  -4.451 -15.210
  937    HB2  LEU 126           HB2      LEU 126   4.570  -4.584 -15.383
  938    HB3  LEU 126           HB3      LEU 126   4.769  -2.932 -14.823
  939    HG   LEU 126           HG       LEU 126   4.000  -3.536 -12.579
  940   HD11  LEU 126          HD11      LEU 126   3.708  -5.948 -11.996
  941   HD12  LEU 126          HD12      LEU 126   2.480  -5.411 -13.134
  942   HD13  LEU 126          HD13      LEU 126   3.860  -6.380 -13.712
  943   HD21  LEU 126          HD21      LEU 126   6.212  -5.293 -13.689
  944   HD22  LEU 126          HD22      LEU 126   6.355  -3.608 -13.134
  945   HD23  LEU 126          HD23      LEU 126   5.973  -4.886 -11.967
  946    H    ILE 127           H        ILE 127   3.176  -1.023 -14.619
  947    HA   ILE 127           HA       ILE 127   1.963  -0.786 -12.012
  948    HB   ILE 127           HB       ILE 127   2.897   1.127 -14.185
  949   HG12  ILE 127          HG12      ILE 127   3.956   0.463 -11.410
  950   HG13  ILE 127          HG13      ILE 127   4.508  -0.396 -12.842
  951   HG21  ILE 127          HG21      ILE 127   1.129   2.291 -12.935
  952   HG22  ILE 127          HG22      ILE 127   1.893   1.843 -11.397
  953   HG23  ILE 127          HG23      ILE 127   2.698   2.959 -12.529
  954   HD11  ILE 127          HD11      ILE 127   5.234   1.783 -13.815
  955   HD12  ILE 127          HD12      ILE 127   4.854   2.538 -12.240
  956   HD13  ILE 127          HD13      ILE 127   6.106   1.290 -12.332
  957    H    ALA 128           H        ALA 128   0.857   0.105 -15.346
  958    HA   ALA 128           HA       ALA 128  -1.607   1.174 -14.617
  959    HB1  ALA 128           HB1      ALA 128  -0.903  -0.351 -17.169
  960    HB2  ALA 128           HB2      ALA 128  -2.256   0.778 -16.959
  961    HB3  ALA 128           HB3      ALA 128  -0.588   1.373 -16.860
  962    H    LYS 129           H        LYS 129  -0.755  -2.316 -14.929
  963    HA   LYS 129           HA       LYS 129  -3.558  -2.997 -14.589
  964    HB2  LYS 129           HB2      LYS 129  -2.958  -5.317 -14.675
  965    HB3  LYS 129           HB3      LYS 129  -2.366  -4.405 -16.063
  966    HG2  LYS 129           HG2      LYS 129  -0.102  -4.405 -15.123
  967    HG3  LYS 129           HG3      LYS 129  -0.672  -5.244 -13.676
  968    HD2  LYS 129           HD2      LYS 129   0.467  -6.769 -15.149
  969    HD3  LYS 129           HD3      LYS 129  -1.246  -7.214 -15.027
  970    HE2  LYS 129           HE2      LYS 129  -1.605  -6.079 -17.266
  971    HE3  LYS 129           HE3      LYS 129   0.131  -5.739 -17.318
  972    HZ1  LYS 129           HZ1      LYS 129  -0.311  -7.730 -18.558
  973    HZ2  LYS 129           HZ2      LYS 129   0.496  -8.200 -17.205
  974    HZ3  LYS 129           HZ3      LYS 129  -1.122  -8.429 -17.327
  975    H    ILE 130           H        ILE 130  -0.679  -2.946 -12.382
  976    HA   ILE 130           HA       ILE 130  -2.284  -4.178 -10.368
  977    HB   ILE 130           HB       ILE 130  -0.431  -4.027  -8.936
  978   HG12  ILE 130          HG12      ILE 130   0.849  -2.278 -11.032
  979   HG13  ILE 130          HG13      ILE 130   0.489  -1.864  -9.360
  980   HG21  ILE 130          HG21      ILE 130   0.525  -4.869 -11.691
  981   HG22  ILE 130          HG22      ILE 130   1.032  -5.496 -10.116
  982   HG23  ILE 130          HG23      ILE 130  -0.608  -5.811 -10.696
  983   HD11  ILE 130          HD11      ILE 130   2.173  -3.510  -8.578
  984   HD12  ILE 130          HD12      ILE 130   2.577  -3.845 -10.301
  985   HD13  ILE 130          HD13      ILE 130   2.852  -2.244  -9.626
  986    H    SER 131           H        SER 131  -1.330  -0.814 -10.977
  987    HA   SER 131           HA       SER 131  -2.307   0.049  -8.404
  988    HB2  SER 131           HB2      SER 131  -0.796   1.428 -10.635
  989    HB3  SER 131           HB3      SER 131  -1.282   2.196  -9.109
  990    HG   SER 131           HG       SER 131   0.876   1.288  -9.030
  Start of MODEL    8
    1    H    MET   1           H        MET   1   2.552  -1.019   1.512
    2    HA   MET   1           HA       MET   1   1.131  -0.159  -0.924
    3    HB2  MET   1           HB2      MET   1   2.774   1.354  -1.453
    4    HB3  MET   1           HB3      MET   1   2.670   1.562   0.270
    5    HG2  MET   1           HG2      MET   1   4.689  -0.104   0.372
    6    HG3  MET   1           HG3      MET   1   4.845   0.237  -1.362
    7    HE1  MET   1           HE1      MET   1   5.828   2.455  -2.361
    8    HE2  MET   1           HE2      MET   1   4.335   3.259  -1.807
    9    HE3  MET   1           HE3      MET   1   5.922   3.980  -1.457
   10    H    LYS   2           H        LYS   2   2.151  -0.953  -2.999
   11    HA   LYS   2           HA       LYS   2   2.495  -3.835  -2.663
   12    HB2  LYS   2           HB2      LYS   2   2.775  -2.443  -5.333
   13    HB3  LYS   2           HB3      LYS   2   2.208  -4.046  -4.987
   14    HG2  LYS   2           HG2      LYS   2   0.139  -3.162  -3.957
   15    HG3  LYS   2           HG3      LYS   2   0.711  -1.505  -4.203
   16    HD2  LYS   2           HD2      LYS   2   0.861  -2.109  -6.708
   17    HD3  LYS   2           HD3      LYS   2  -0.194  -3.467  -6.317
   18    HE2  LYS   2           HE2      LYS   2  -0.768  -0.534  -5.601
   19    HE3  LYS   2           HE3      LYS   2  -1.280  -1.266  -7.109
   20    HZ1  LYS   2           HZ1      LYS   2  -2.640  -2.848  -5.845
   21    HZ2  LYS   2           HZ2      LYS   2  -2.173  -2.185  -4.416
   22    HZ3  LYS   2           HZ3      LYS   2  -3.061  -1.320  -5.480
   23    H    LYS   3           H        LYS   3   4.451  -4.890  -2.373
   24    HA   LYS   3           HA       LYS   3   6.921  -3.325  -2.902
   25    HB2  LYS   3           HB2      LYS   3   6.684  -6.078  -1.678
   26    HB3  LYS   3           HB3      LYS   3   8.117  -5.044  -1.773
   27    HG2  LYS   3           HG2      LYS   3   6.918  -3.321  -0.397
   28    HG3  LYS   3           HG3      LYS   3   5.581  -4.478  -0.188
   29    HD2  LYS   3           HD2      LYS   3   7.094  -6.084   0.895
   30    HD3  LYS   3           HD3      LYS   3   8.472  -4.973   0.659
   31    HE2  LYS   3           HE2      LYS   3   7.311  -3.226   1.974
   32    HE3  LYS   3           HE3      LYS   3   5.916  -4.299   2.173
   33    HZ1  LYS   3           HZ1      LYS   3   8.624  -4.774   3.298
   34    HZ2  LYS   3           HZ2      LYS   3   7.259  -4.456   4.141
   35    HZ3  LYS   3           HZ3      LYS   3   7.420  -5.888   3.335
   36    H    VAL   4           H        VAL   4   8.321  -3.772  -4.468
   37    HA   VAL   4           HA       VAL   4   7.422  -5.609  -6.611
   38    HB   VAL   4           HB       VAL   4   8.875  -3.058  -7.133
   39   HG11  VAL   4          HG11      VAL   4   7.674  -3.082  -9.250
   40   HG12  VAL   4          HG12      VAL   4   8.462  -4.651  -9.005
   41   HG13  VAL   4          HG13      VAL   4   6.714  -4.462  -8.728
   42   HG21  VAL   4          HG21      VAL   4   6.921  -1.737  -7.421
   43   HG22  VAL   4          HG22      VAL   4   5.863  -3.043  -6.823
   44   HG23  VAL   4          HG23      VAL   4   7.014  -2.230  -5.744
   45    H    MET   5           H        MET   5   9.076  -6.650  -7.695
   46    HA   MET   5           HA       MET   5  11.901  -5.848  -7.259
   47    HB2  MET   5           HB2      MET   5  11.006  -8.758  -7.315
   48    HB3  MET   5           HB3      MET   5  12.662  -8.156  -7.246
   49    HG2  MET   5           HG2      MET   5  11.973  -7.064  -4.998
   50    HG3  MET   5           HG3      MET   5  10.562  -8.121  -5.075
   51    HE1  MET   5           HE1      MET   5  13.084  -9.756  -2.437
   52    HE2  MET   5           HE2      MET   5  12.863  -8.022  -2.780
   53    HE3  MET   5           HE3      MET   5  11.453  -9.104  -2.673
   54    H    PHE   6           H        PHE   6  13.266  -6.369  -9.090
   55    HA   PHE   6           HA       PHE   6  11.974  -7.409 -11.494
   56    HB2  PHE   6           HB2      PHE   6  13.714  -4.915 -11.539
   57    HB3  PHE   6           HB3      PHE   6  13.206  -5.833 -12.943
   58    HD1  PHE   6           HD1      PHE   6  11.840  -3.897 -10.049
   59    HD2  PHE   6           HD2      PHE   6  11.199  -5.208 -14.110
   60    HE1  PHE   6           HE1      PHE   6   9.786  -2.527 -10.172
   61    HE2  PHE   6           HE2      PHE   6   9.172  -3.801 -14.235
   62    HZ   PHE   6           HZ       PHE   6   8.453  -2.461 -12.267
   63    H    VAL   7           H        VAL   7  13.289  -9.029 -12.217
   64    HA   VAL   7           HA       VAL   7  16.114  -9.053 -11.366
   65    HB   VAL   7           HB       VAL   7  15.199  -9.789  -9.394
   66   HG11  VAL   7          HG11      VAL   7  13.129 -11.449 -10.859
   67   HG12  VAL   7          HG12      VAL   7  13.422 -11.506  -9.106
   68   HG13  VAL   7          HG13      VAL   7  12.870 -10.002  -9.838
   69   HG21  VAL   7          HG21      VAL   7  15.760 -12.117  -9.092
   70   HG22  VAL   7          HG22      VAL   7  15.642 -12.431 -10.834
   71   HG23  VAL   7          HG23      VAL   7  16.924 -11.370 -10.191
   72    H    CYS   8           H        CYS   8  17.371 -10.164 -12.625
   73    HA   CYS   8           HA       CYS   8  16.336 -12.082 -14.627
   74    HB2  CYS   8           HB2      CYS   8  17.042  -9.866 -15.647
   75    HB3  CYS   8           HB3      CYS   8  18.621 -10.090 -14.956
   76    H    LYS   9           H        LYS   9  18.427 -13.538 -15.266
   77    HA   LYS   9           HA       LYS   9  19.312 -14.763 -12.845
   78    HB2  LYS   9           HB2      LYS   9  19.022 -15.799 -15.184
   79    HB3  LYS   9           HB3      LYS   9  20.603 -15.109 -15.588
   80    HG2  LYS   9           HG2      LYS   9  21.584 -16.390 -13.656
   81    HG3  LYS   9           HG3      LYS   9  19.976 -17.076 -13.334
   82    HD2  LYS   9           HD2      LYS   9  19.998 -18.006 -15.699
   83    HD3  LYS   9           HD3      LYS   9  21.675 -17.476 -15.837
   84    HE2  LYS   9           HE2      LYS   9  20.550 -19.514 -13.853
   85    HE3  LYS   9           HE3      LYS   9  21.523 -19.867 -15.283
   86    HZ1  LYS   9           HZ1      LYS   9  22.909 -19.923 -13.360
   87    HZ2  LYS   9           HZ2      LYS   9  23.355 -18.596 -14.198
   88    HZ3  LYS   9           HZ3      LYS   9  22.431 -18.459 -12.827
   89    H    ARG  10           H        ARG  10  20.754 -12.254 -14.869
   90    HA   ARG  10           HA       ARG  10  23.015 -11.970 -12.919
   91    HB2  ARG  10           HB2      ARG  10  22.786 -11.008 -15.807
   92    HB3  ARG  10           HB3      ARG  10  24.117 -10.617 -14.715
   93    HG2  ARG  10           HG2      ARG  10  24.681 -13.036 -14.517
   94    HG3  ARG  10           HG3      ARG  10  23.387 -13.431 -15.656
   95    HD2  ARG  10           HD2      ARG  10  25.784 -11.646 -16.262
   96    HD3  ARG  10           HD3      ARG  10  25.639 -13.335 -16.735
   97    HE   ARG  10           HE       ARG  10  24.015 -11.021 -17.735
   98   HH11  ARG  10          HH11      ARG  10  25.024 -14.408 -18.244
   99   HH12  ARG  10          HH12      ARG  10  24.277 -14.524 -19.798
  100   HH21  ARG  10          HH21      ARG  10  23.029 -11.184 -19.702
  101   HH22  ARG  10          HH22      ARG  10  23.124 -12.622 -20.676
  102    H    ASN  11           H        ASN  11  23.470  -9.624 -12.393
  103    HA   ASN  11           HA       ASN  11  20.994  -8.128 -11.962
  104    HB2  ASN  11           HB2      ASN  11  22.803  -7.840 -10.364
  105    HB3  ASN  11           HB3      ASN  11  23.922  -7.264 -11.610
  106   HD21  ASN  11          HD22      ASN  11  23.544  -5.070 -12.578
  107   HD22  ASN  11          HD21      ASN  11  22.344  -4.001 -11.849
  108    H    SER  12           H        SER  12  23.900  -7.593 -14.027
  109    HA   SER  12           HA       SER  12  22.584  -5.315 -15.278
  110    HB2  SER  12           HB2      SER  12  25.387  -6.398 -15.617
  111    HB3  SER  12           HB3      SER  12  24.794  -4.775 -16.050
  112    HG   SER  12           HG       SER  12  25.838  -5.224 -13.818
  113    H    SER  13           H        SER  13  21.136  -7.468 -15.916
  114    HA   SER  13           HA       SER  13  21.363  -7.382 -18.832
  115    HB2  SER  13           HB2      SER  13  20.928  -9.993 -17.336
  116    HB3  SER  13           HB3      SER  13  20.803  -9.752 -19.086
  117    HG   SER  13           HG       SER  13  23.140  -8.829 -18.632
  118    H    ARG  14           H        ARG  14  19.551  -6.298 -19.238
  119    HA   ARG  14           HA       ARG  14  17.422  -5.776 -19.592
  120    HB2  ARG  14           HB2      ARG  14  16.758  -8.414 -18.273
  121    HB3  ARG  14           HB3      ARG  14  15.593  -7.358 -19.097
  122    HG2  ARG  14           HG2      ARG  14  16.984  -7.654 -21.190
  123    HG3  ARG  14           HG3      ARG  14  17.951  -8.846 -20.268
  124    HD2  ARG  14           HD2      ARG  14  15.636  -9.842 -19.607
  125    HD3  ARG  14           HD3      ARG  14  15.007  -8.889 -20.962
  126    HE   ARG  14           HE       ARG  14  17.240 -10.254 -21.873
  127   HH11  ARG  14          HH11      ARG  14  14.071 -11.229 -20.537
  128   HH12  ARG  14          HH12      ARG  14  13.873 -12.547 -21.649
  129   HH21  ARG  14          HH21      ARG  14  16.958 -12.068 -23.319
  130   HH22  ARG  14          HH22      ARG  14  15.470 -12.962 -23.290
  131    H    SER  15           H        SER  15  18.153  -6.600 -16.216
  132    HA   SER  15           HA       SER  15  16.230  -4.707 -15.153
  133    HB2  SER  15           HB2      SER  15  18.727  -5.623 -13.736
  134    HB3  SER  15           HB3      SER  15  17.101  -5.357 -13.090
  135    HG   SER  15           HG       SER  15  17.857  -7.628 -13.388
  136    H    GLN  16           H        GLN  16  18.547  -3.309 -13.556
  137    HA   GLN  16           HA       GLN  16  19.784  -1.442 -13.694
  138    HB2  GLN  16           HB2      GLN  16  21.639  -1.312 -15.072
  139    HB3  GLN  16           HB3      GLN  16  21.440  -2.993 -14.586
  140    HG2  GLN  16           HG2      GLN  16  20.547  -3.544 -16.804
  141    HG3  GLN  16           HG3      GLN  16  20.600  -1.837 -17.270
  142   HE21  GLN  16          HE22      GLN  16  21.882  -3.959 -18.807
  143   HE22  GLN  16          HE21      GLN  16  23.598  -3.685 -18.686
  144    H    MET  17           H        MET  17  17.146  -1.295 -14.706
  145    HA   MET  17           HA       MET  17  16.990   1.156 -16.022
  146    HB2  MET  17           HB2      MET  17  17.602  -0.674 -17.930
  147    HB3  MET  17           HB3      MET  17  15.872  -0.908 -17.886
  148    HG2  MET  17           HG2      MET  17  17.440   1.583 -18.517
  149    HG3  MET  17           HG3      MET  17  16.366   0.705 -19.571
  150    HE1  MET  17           HE1      MET  17  17.043   3.535 -17.130
  151    HE2  MET  17           HE2      MET  17  15.483   4.344 -16.968
  152    HE3  MET  17           HE3      MET  17  15.849   2.963 -15.938
  153    H    ALA  18           H        ALA  18  15.403  -2.099 -15.725
  154    HA   ALA  18           HA       ALA  18  12.745  -1.027 -15.780
  155    HB1  ALA  18           HB1      ALA  18  12.028  -3.329 -15.514
  156    HB2  ALA  18           HB2      ALA  18  13.389  -3.316 -16.646
  157    HB3  ALA  18           HB3      ALA  18  13.639  -3.821 -14.956
  158    H    GLU  19           H        GLU  19  14.728  -2.120 -13.092
  159    HA   GLU  19           HA       GLU  19  12.669  -1.526 -11.104
  160    HB2  GLU  19           HB2      GLU  19  14.440  -1.759  -9.477
  161    HB3  GLU  19           HB3      GLU  19  14.538  -3.091 -10.606
  162    HG2  GLU  19           HG2      GLU  19  16.365  -0.646 -10.571
  163    HG3  GLU  19           HG3      GLU  19  16.736  -2.249  -9.962
  164    H    GLY  20           H        GLY  20  15.333   0.090 -12.744
  165    HA2  GLY  20           HA2      GLY  20  15.550   2.566 -11.543
  166    HA3  GLY  20           HA3      GLY  20  15.665   2.278 -13.283
  167    H    PHE  21           H        PHE  21  13.434   2.058 -14.455
  168    HA   PHE  21           HA       PHE  21  11.933   4.414 -14.003
  169    HB2  PHE  21           HB2      PHE  21  11.550   1.961 -15.669
  170    HB3  PHE  21           HB3      PHE  21  10.109   2.900 -15.327
  171    HD1  PHE  21           HD2      PHE  21  10.506   5.611 -15.451
  172    HD2  PHE  21           HD1      PHE  21  12.683   2.575 -17.573
  173    HE1  PHE  21           HE2      PHE  21  11.163   7.283 -17.192
  174    HE2  PHE  21           HE1      PHE  21  13.431   4.225 -19.241
  175    HZ   PHE  21           HZ       PHE  21  12.628   6.600 -19.088
  176    H    ALA  22           H        ALA  22  11.495   1.240 -12.467
  177    HA   ALA  22           HA       ALA  22   8.806   1.868 -11.762
  178    HB1  ALA  22           HB1      ALA  22  10.709  -0.103 -10.426
  179    HB2  ALA  22           HB2      ALA  22   8.919  -0.121 -10.375
  180    HB3  ALA  22           HB3      ALA  22   9.783  -0.397 -11.916
  181    H    LYS  23           H        LYS  23  11.913   2.610 -10.061
  182    HA   LYS  23           HA       LYS  23  10.445   3.583  -7.733
  183    HB2  LYS  23           HB2      LYS  23  12.387   4.617  -6.937
  184    HB3  LYS  23           HB3      LYS  23  12.853   3.055  -7.561
  185    HG2  LYS  23           HG2      LYS  23  13.203   5.296  -9.514
  186    HG3  LYS  23           HG3      LYS  23  14.104   5.511  -8.029
  187    HD2  LYS  23           HD2      LYS  23  14.211   2.960  -9.653
  188    HD3  LYS  23           HD3      LYS  23  15.282   4.313  -9.977
  189    HE2  LYS  23           HE2      LYS  23  15.068   2.936  -7.232
  190    HE3  LYS  23           HE3      LYS  23  16.128   2.333  -8.507
  191    HZ1  LYS  23           HZ1      LYS  23  17.324   3.802  -6.995
  192    HZ2  LYS  23           HZ2      LYS  23  17.331   4.410  -8.504
  193    HZ3  LYS  23           HZ3      LYS  23  16.351   5.063  -7.339
  194    H    THR  24           H        THR  24  11.265   5.015 -10.869
  195    HA   THR  24           HA       THR  24  10.595   7.670 -10.166
  196    HB   THR  24           HB       THR  24  11.101   6.050 -12.654
  197    HG1  THR  24           HG1      THR  24  12.580   8.105 -11.356
  198   HG21  THR  24          HG21      THR  24  10.485   9.001 -12.619
  199   HG22  THR  24          HG22      THR  24  11.340   8.140 -13.930
  200   HG23  THR  24          HG23      THR  24   9.681   7.681 -13.521
  201    H    LEU  25           H        LEU  25   8.843   5.258 -12.122
  202    HA   LEU  25           HA       LEU  25   6.489   6.945 -12.406
  203    HB2  LEU  25           HB2      LEU  25   7.018   4.009 -13.014
  204    HB3  LEU  25           HB3      LEU  25   5.595   4.899 -13.572
  205    HG   LEU  25           HG       LEU  25   8.476   5.561 -14.316
  206   HD11  LEU  25          HD11      LEU  25   7.934   3.394 -15.169
  207   HD12  LEU  25          HD12      LEU  25   6.361   3.940 -15.748
  208   HD13  LEU  25          HD13      LEU  25   7.861   4.526 -16.522
  209   HD21  LEU  25          HD21      LEU  25   7.475   6.911 -16.126
  210   HD22  LEU  25          HD22      LEU  25   5.849   6.557 -15.494
  211   HD23  LEU  25          HD23      LEU  25   6.996   7.521 -14.540
  212    H    GLY  26           H        GLY  26   7.414   4.132 -10.408
  213    HA2  GLY  26           HA2      GLY  26   4.790   3.767  -9.234
  214    HA3  GLY  26           HA3      GLY  26   6.312   2.951  -8.826
  215    H    ALA  27           H        ALA  27   6.995   6.233  -8.764
  216    HA   ALA  27           HA       ALA  27   7.516   6.398  -6.044
  217    HB1  ALA  27           HB1      ALA  27   6.823   8.662  -7.979
  218    HB2  ALA  27           HB2      ALA  27   7.680   8.839  -6.439
  219    HB3  ALA  27           HB3      ALA  27   8.439   7.952  -7.772
  220    H    GLY  28           H        GLY  28   6.303   6.775  -4.263
  221    HA2  GLY  28           HA2      GLY  28   4.561   7.354  -2.900
  222    HA3  GLY  28           HA3      GLY  28   3.776   8.165  -4.254
  223    H    LYS  29           H        LYS  29   4.444   4.935  -5.166
  224    HA   LYS  29           HA       LYS  29   1.660   4.072  -4.406
  225    HB2  LYS  29           HB2      LYS  29   3.026   3.536  -7.073
  226    HB3  LYS  29           HB3      LYS  29   1.356   3.174  -6.629
  227    HG2  LYS  29           HG2      LYS  29   0.782   5.537  -6.614
  228    HG3  LYS  29           HG3      LYS  29   2.477   5.994  -6.805
  229    HD2  LYS  29           HD2      LYS  29   2.456   4.677  -9.043
  230    HD3  LYS  29           HD3      LYS  29   0.700   4.626  -8.840
  231    HE2  LYS  29           HE2      LYS  29   1.110   6.515 -10.207
  232    HE3  LYS  29           HE3      LYS  29   0.737   7.159  -8.605
  233    HZ1  LYS  29           HZ1      LYS  29   3.176   7.473  -8.273
  234    HZ2  LYS  29           HZ2      LYS  29   3.469   6.895  -9.794
  235    HZ3  LYS  29           HZ3      LYS  29   2.633   8.286  -9.587
  236    H    ILE  30           H        ILE  30   4.864   2.889  -5.587
  237    HA   ILE  30           HA       ILE  30   4.394   0.358  -4.098
  238    HB   ILE  30           HB       ILE  30   4.869  -0.969  -6.058
  239   HG12  ILE  30          HG12      ILE  30   4.871   1.633  -7.643
  240   HG13  ILE  30          HG13      ILE  30   6.286   0.619  -7.341
  241   HG21  ILE  30          HG21      ILE  30   2.490  -0.211  -5.500
  242   HG22  ILE  30          HG22      ILE  30   2.629   0.949  -6.836
  243   HG23  ILE  30          HG23      ILE  30   2.753  -0.779  -7.158
  244   HD11  ILE  30          HD11      ILE  30   5.007  -1.260  -8.579
  245   HD12  ILE  30          HD12      ILE  30   3.893   0.012  -9.131
  246   HD13  ILE  30          HD13      ILE  30   5.623   0.095  -9.536
  247    H    ALA  31           H        ALA  31   6.316  -0.832  -3.648
  248    HA   ALA  31           HA       ALA  31   8.688   0.978  -3.379
  249    HB1  ALA  31           HB1      ALA  31   7.682   0.353  -1.232
  250    HB2  ALA  31           HB2      ALA  31   7.758  -1.377  -1.658
  251    HB3  ALA  31           HB3      ALA  31   9.249  -0.468  -1.434
  252    H    VAL  32           H        VAL  32  10.113   0.438  -5.083
  253    HA   VAL  32           HA       VAL  32  10.411  -2.420  -5.820
  254    HB   VAL  32           HB       VAL  32  10.355  -0.692  -7.573
  255   HG11  VAL  32          HG11      VAL  32  12.301   0.674  -8.073
  256   HG12  VAL  32          HG12      VAL  32  11.605   1.146  -6.513
  257   HG13  VAL  32          HG13      VAL  32  13.091   0.170  -6.569
  258   HG21  VAL  32          HG21      VAL  32  11.398  -2.928  -7.876
  259   HG22  VAL  32          HG22      VAL  32  12.113  -1.664  -8.892
  260   HG23  VAL  32          HG23      VAL  32  12.980  -2.225  -7.449
  261    H    THR  33           H        THR  33  11.907  -3.745  -5.192
  262    HA   THR  33           HA       THR  33  14.278  -2.778  -3.759
  263    HB   THR  33           HB       THR  33  12.775  -5.326  -3.203
  264    HG1  THR  33           HG1      THR  33  11.784  -4.379  -1.469
  265   HG21  THR  33          HG21      THR  33  14.717  -3.723  -1.434
  266   HG22  THR  33          HG22      THR  33  14.112  -5.367  -1.125
  267   HG23  THR  33          HG23      THR  33  15.209  -5.064  -2.476
  268    H    SER  34           H        SER  34  15.876  -3.302  -5.151
  269    HA   SER  34           HA       SER  34  15.317  -5.193  -7.196
  270    HB2  SER  34           HB2      SER  34  17.893  -3.638  -6.804
  271    HB3  SER  34           HB3      SER  34  17.178  -4.212  -8.331
  272    HG   SER  34           HG       SER  34  16.834  -1.849  -7.475
  273    H    SER  35           H        SER  35  15.472  -6.656  -4.828
  274    HA   SER  35           HA       SER  35  17.977  -7.938  -4.396
  275    HB2  SER  35           HB2      SER  35  15.277  -9.187  -3.887
  276    HB3  SER  35           HB3      SER  35  16.774  -9.348  -2.952
  277    HG   SER  35           HG       SER  35  15.412  -7.906  -1.865
  278    H    GLY  36           H        GLY  36  18.464 -10.321  -4.882
  279    HA2  GLY  36           HA2      GLY  36  17.198 -11.743  -6.973
  280    HA3  GLY  36           HA3      GLY  36  18.532 -10.765  -7.622
  281    H    LEU  37           H        LEU  37  19.462 -13.021  -8.020
  282    HA   LEU  37           HA       LEU  37  21.097 -13.889  -5.774
  283    HB2  LEU  37           HB2      LEU  37  19.400 -15.448  -7.736
  284    HB3  LEU  37           HB3      LEU  37  20.789 -16.222  -6.971
  285    HG   LEU  37           HG       LEU  37  18.719 -14.851  -5.247
  286   HD11  LEU  37          HD11      LEU  37  17.482 -17.023  -5.123
  287   HD12  LEU  37          HD12      LEU  37  17.397 -16.242  -6.715
  288   HD13  LEU  37          HD13      LEU  37  18.491 -17.628  -6.463
  289   HD21  LEU  37          HD21      LEU  37  19.414 -16.588  -3.636
  290   HD22  LEU  37          HD22      LEU  37  20.553 -17.246  -4.822
  291   HD23  LEU  37          HD23      LEU  37  20.782 -15.603  -4.177
  292    H    GLU  38           H        GLU  38  23.084 -14.934  -6.606
  293    HA   GLU  38           HA       GLU  38  24.998 -14.912  -7.860
  294    HB2  GLU  38           HB2      GLU  38  23.152 -14.766 -10.244
  295    HB3  GLU  38           HB3      GLU  38  24.796 -15.437 -10.200
  296    HG2  GLU  38           HG2      GLU  38  23.875 -17.137  -8.515
  297    HG3  GLU  38           HG3      GLU  38  22.268 -16.546  -8.973
  298    H    SER  39           H        SER  39  23.517 -12.316  -7.310
  299    HA   SER  39           HA       SER  39  23.899 -10.659  -9.541
  300    HB2  SER  39           HB2      SER  39  22.972  -8.931  -7.867
  301    HB3  SER  39           HB3      SER  39  22.012 -10.392  -8.235
  302    HG   SER  39           HG       SER  39  22.181  -9.843  -5.933
  303    H    SER  40           H        SER  40  24.698  -8.439  -9.319
  304    HA   SER  40           HA       SER  40  27.412  -8.047  -8.361
  305    HB2  SER  40           HB2      SER  40  26.595  -8.791 -11.202
  306    HB3  SER  40           HB3      SER  40  28.033  -7.783 -10.911
  307    HG   SER  40           HG       SER  40  27.579 -10.395  -9.837
  308    H    ARG  41           H        ARG  41  28.030  -5.804  -9.707
  309    HA   ARG  41           HA       ARG  41  25.719  -4.081  -9.088
  310    HB2  ARG  41           HB2      ARG  41  28.106  -3.752  -8.159
  311    HB3  ARG  41           HB3      ARG  41  28.516  -3.112  -9.766
  312    HG2  ARG  41           HG2      ARG  41  27.001  -1.287  -9.529
  313    HG3  ARG  41           HG3      ARG  41  26.263  -1.984  -8.059
  314    HD2  ARG  41           HD2      ARG  41  28.394  -1.705  -6.857
  315    HD3  ARG  41           HD3      ARG  41  29.156  -1.057  -8.326
  316    HE   ARG  41           HE       ARG  41  26.877   0.525  -7.847
  317   HH11  ARG  41          HH11      ARG  41  29.950  -0.145  -6.172
  318   HH12  ARG  41          HH12      ARG  41  29.996   1.385  -5.373
  319   HH21  ARG  41          HH21      ARG  41  26.938   2.509  -6.837
  320   HH22  ARG  41          HH22      ARG  41  28.228   2.952  -5.757
  321    H    VAL  42           H        VAL  42  25.028  -2.509 -10.482
  322    HA   VAL  42           HA       VAL  42  24.489  -2.860 -13.156
  323    HB   VAL  42           HB       VAL  42  23.283  -1.344 -11.869
  324   HG11  VAL  42          HG11      VAL  42  24.226   0.728 -10.835
  325   HG12  VAL  42          HG12      VAL  42  24.778  -0.743 -10.057
  326   HG13  VAL  42          HG13      VAL  42  25.862   0.112 -11.174
  327   HG21  VAL  42          HG21      VAL  42  23.296   0.767 -13.001
  328   HG22  VAL  42          HG22      VAL  42  24.929   0.481 -13.625
  329   HG23  VAL  42          HG23      VAL  42  23.577  -0.536 -14.177
  330    H    HIS  43           H        HIS  43  25.239  -1.941 -15.100
  331    HA   HIS  43           HA       HIS  43  28.197  -1.727 -15.197
  332    HB2  HIS  43           HB2      HIS  43  26.058  -2.348 -17.238
  333    HB3  HIS  43           HB3      HIS  43  27.670  -1.892 -17.739
  334    HD1  HIS  43           HD1      HIS  43  27.812  -4.482 -18.751
  335    HD2  HIS  43           HD2      HIS  43  27.797  -3.988 -14.562
  336    HE1  HIS  43           HE1      HIS  43  28.601  -6.673 -17.761
  337    HA   PRO  44           HA       PRO  44  28.634   2.472 -15.317
  338    HB2  PRO  44           HB2      PRO  44  30.398   3.063 -17.392
  339    HB3  PRO  44           HB3      PRO  44  30.852   2.282 -15.847
  340    HG2  PRO  44           HG2      PRO  44  30.125   0.898 -18.467
  341    HG3  PRO  44           HG3      PRO  44  31.592   0.648 -17.454
  342    HD2  PRO  44           HD2      PRO  44  29.547  -1.008 -17.174
  343    HD3  PRO  44           HD3      PRO  44  30.278  -0.331 -15.691
  344    H    THR  45           H        THR  45  28.337   1.636 -18.849
  345    HA   THR  45           HA       THR  45  27.419   4.180 -19.552
  346    HB   THR  45           HB       THR  45  26.938   1.633 -21.029
  347    HG1  THR  45           HG1      THR  45  29.047   1.862 -21.818
  348   HG21  THR  45          HG21      THR  45  27.291   3.027 -23.066
  349   HG22  THR  45          HG22      THR  45  25.905   3.586 -22.125
  350   HG23  THR  45          HG23      THR  45  27.442   4.474 -22.027
  351    H    ALA  46           H        ALA  46  25.602   1.454 -18.225
  352    HA   ALA  46           HA       ALA  46  22.993   2.281 -19.007
  353    HB1  ALA  46           HB1      ALA  46  22.185   0.990 -17.067
  354    HB2  ALA  46           HB2      ALA  46  23.547   0.078 -17.752
  355    HB3  ALA  46           HB3      ALA  46  23.752   1.058 -16.272
  356    H    ILE  47           H        ILE  47  24.963   3.142 -16.149
  357    HA   ILE  47           HA       ILE  47  22.879   4.665 -14.974
  358    HB   ILE  47           HB       ILE  47  25.949   4.937 -14.748
  359   HG12  ILE  47          HG12      ILE  47  24.192   3.591 -12.681
  360   HG13  ILE  47          HG13      ILE  47  24.773   2.692 -14.084
  361   HG21  ILE  47          HG21      ILE  47  25.038   6.985 -13.848
  362   HG22  ILE  47          HG22      ILE  47  23.797   6.103 -12.943
  363   HG23  ILE  47          HG23      ILE  47  25.502   5.982 -12.473
  364   HD11  ILE  47          HD11      ILE  47  26.274   2.299 -12.242
  365   HD12  ILE  47          HD12      ILE  47  27.120   3.262 -13.467
  366   HD13  ILE  47          HD13      ILE  47  26.513   4.033 -11.978
  367    H    ALA  48           H        ALA  48  25.444   5.633 -17.281
  368    HA   ALA  48           HA       ALA  48  24.865   8.397 -17.186
  369    HB1  ALA  48           HB1      ALA  48  25.979   6.757 -19.519
  370    HB2  ALA  48           HB2      ALA  48  26.048   8.525 -19.366
  371    HB3  ALA  48           HB3      ALA  48  26.933   7.500 -18.218
  372    H    MET  49           H        MET  49  23.556   5.854 -19.388
  373    HA   MET  49           HA       MET  49  21.843   7.664 -20.854
  374    HB2  MET  49           HB2      MET  49  21.755   4.635 -20.410
  375    HB3  MET  49           HB3      MET  49  20.753   5.494 -21.581
  376    HG2  MET  49           HG2      MET  49  23.802   5.458 -21.569
  377    HG3  MET  49           HG3      MET  49  22.801   4.468 -22.586
  378    HE1  MET  49           HE1      MET  49  24.652   8.182 -23.781
  379    HE2  MET  49           HE2      MET  49  24.497   7.773 -22.046
  380    HE3  MET  49           HE3      MET  49  25.182   6.589 -23.186
  381    H    MET  50           H        MET  50  21.442   5.733 -17.915
  382    HA   MET  50           HA       MET  50  18.575   6.093 -17.849
  383    HB2  MET  50           HB2      MET  50  20.418   5.050 -15.680
  384    HB3  MET  50           HB3      MET  50  18.667   4.960 -15.706
  385    HG2  MET  50           HG2      MET  50  20.603   3.153 -16.879
  386    HG3  MET  50           HG3      MET  50  18.942   2.892 -16.536
  387    HE1  MET  50           HE1      MET  50  20.902   1.626 -19.108
  388    HE2  MET  50           HE2      MET  50  19.389   1.012 -18.430
  389    HE3  MET  50           HE3      MET  50  19.498   1.400 -20.173
  390    H    GLU  51           H        GLU  51  21.439   7.779 -16.523
  391    HA   GLU  51           HA       GLU  51  19.886   9.642 -15.023
  392    HB2  GLU  51           HB2      GLU  51  22.229   9.134 -14.500
  393    HB3  GLU  51           HB3      GLU  51  22.742   9.809 -16.058
  394    HG2  GLU  51           HG2      GLU  51  21.994  12.032 -15.368
  395    HG3  GLU  51           HG3      GLU  51  21.271  11.374 -13.896
  396    H    GLU  52           H        GLU  52  20.620   9.274 -18.460
  397    HA   GLU  52           HA       GLU  52  19.983  12.005 -19.078
  398    HB2  GLU  52           HB2      GLU  52  19.875   9.575 -20.888
  399    HB3  GLU  52           HB3      GLU  52  19.412  11.176 -21.394
  400    HG2  GLU  52           HG2      GLU  52  22.158  10.536 -20.265
  401    HG3  GLU  52           HG3      GLU  52  21.762  10.505 -21.977
  402    H    VAL  53           H        VAL  53  18.030   9.105 -18.434
  403    HA   VAL  53           HA       VAL  53  15.603  10.806 -18.664
  404    HB   VAL  53           HB       VAL  53  14.362   8.747 -18.186
  405   HG11  VAL  53          HG11      VAL  53  16.132   8.716 -20.652
  406   HG12  VAL  53          HG12      VAL  53  14.544   7.908 -20.467
  407   HG13  VAL  53          HG13      VAL  53  14.648   9.669 -20.441
  408   HG21  VAL  53          HG21      VAL  53  16.065   7.317 -17.143
  409   HG22  VAL  53          HG22      VAL  53  15.345   6.546 -18.552
  410   HG23  VAL  53          HG23      VAL  53  16.963   7.278 -18.683
  411    H    GLY  54           H        GLY  54  17.871  10.942 -16.540
  412    HA2  GLY  54           HA2      GLY  54  17.898  11.938 -14.507
  413    HA3  GLY  54           HA3      GLY  54  16.131  11.983 -14.528
  414    H    ILE  55           H        ILE  55  17.575   8.821 -14.894
  415    HA   ILE  55           HA       ILE  55  16.447   8.081 -12.277
  416    HB   ILE  55           HB       ILE  55  16.970   6.553 -14.763
  417   HG12  ILE  55          HG12      ILE  55  14.597   7.782 -13.391
  418   HG13  ILE  55          HG13      ILE  55  15.042   7.788 -15.090
  419   HG21  ILE  55          HG21      ILE  55  16.027   4.567 -13.737
  420   HG22  ILE  55          HG22      ILE  55  17.471   5.040 -12.879
  421   HG23  ILE  55          HG23      ILE  55  15.878   5.415 -12.170
  422   HD11  ILE  55          HD11      ILE  55  13.823   5.524 -13.506
  423   HD12  ILE  55          HD12      ILE  55  13.025   6.510 -14.742
  424   HD13  ILE  55          HD13      ILE  55  14.321   5.386 -15.229
  425    H    ASP  56           H        ASP  56  17.480   7.046 -10.715
  426    HA   ASP  56           HA       ASP  56  20.430   6.664 -10.859
  427    HB2  ASP  56           HB2      ASP  56  19.879   7.923  -8.945
  428    HB3  ASP  56           HB3      ASP  56  18.420   6.986  -8.625
  429    H    ILE  57           H        ILE  57  21.196   4.662 -11.023
  430    HA   ILE  57           HA       ILE  57  19.678   2.330 -10.017
  431    HB   ILE  57           HB       ILE  57  20.766   0.984 -11.950
  432   HG12  ILE  57          HG12      ILE  57  20.651   3.711 -13.333
  433   HG13  ILE  57          HG13      ILE  57  22.124   2.882 -12.820
  434   HG21  ILE  57          HG21      ILE  57  18.806   1.111 -13.360
  435   HG22  ILE  57          HG22      ILE  57  18.328   1.211 -11.667
  436   HG23  ILE  57          HG23      ILE  57  18.366   2.699 -12.651
  437   HD11  ILE  57          HD11      ILE  57  21.880   2.456 -15.121
  438   HD12  ILE  57          HD12      ILE  57  21.425   0.943 -14.316
  439   HD13  ILE  57          HD13      ILE  57  20.171   2.031 -14.926
  440    H    SER  58           H        SER  58  22.729   3.860 -10.897
  441    HA   SER  58           HA       SER  58  24.873   2.779 -10.282
  442    HB2  SER  58           HB2      SER  58  24.079   5.023  -8.445
  443    HB3  SER  58           HB3      SER  58  25.553   4.832  -9.430
  444    HG   SER  58           HG       SER  58  24.024   6.399 -10.244
  445    H    GLY  59           H        GLY  59  22.502   2.785  -7.603
  446    HA2  GLY  59           HA2      GLY  59  24.476   1.408  -5.826
  447    HA3  GLY  59           HA3      GLY  59  23.126   2.402  -5.281
  448    H    GLN  60           H        GLN  60  22.879  -0.072  -7.898
  449    HA   GLN  60           HA       GLN  60  20.526  -1.175  -6.915
  450    HB2  GLN  60           HB2      GLN  60  22.661  -2.656  -8.526
  451    HB3  GLN  60           HB3      GLN  60  21.002  -3.180  -8.312
  452    HG2  GLN  60           HG2      GLN  60  20.473  -0.727  -9.289
  453    HG3  GLN  60           HG3      GLN  60  22.072  -0.977 -10.023
  454   HE21  GLN  60          HE22      GLN  60  18.815  -2.393  -9.633
  455   HE22  GLN  60          HE21      GLN  60  18.742  -3.124 -11.218
  456    H    THR  61           H        THR  61  23.779  -2.030  -5.869
  457    HA   THR  61           HA       THR  61  23.337  -4.713  -5.294
  458    HB   THR  61           HB       THR  61  25.407  -4.104  -3.613
  459    HG1  THR  61           HG1      THR  61  25.434  -1.897  -3.860
  460   HG21  THR  61          HG21      THR  61  26.881  -4.409  -5.591
  461   HG22  THR  61          HG22      THR  61  25.534  -5.560  -5.589
  462   HG23  THR  61          HG23      THR  61  25.486  -4.147  -6.669
  463    H    SER  62           H        SER  62  22.356  -5.791  -3.652
  464    HA   SER  62           HA       SER  62  21.342  -4.429  -1.274
  465    HB2  SER  62           HB2      SER  62  19.705  -5.639  -3.562
  466    HB3  SER  62           HB3      SER  62  19.036  -5.222  -1.971
  467    HG   SER  62           HG       SER  62  20.065  -3.520  -3.993
  468    H    ASP  63           H        ASP  63  19.969  -6.275  -0.153
  469    HA   ASP  63           HA       ASP  63  21.624  -8.500   0.426
  470    HB2  ASP  63           HB2      ASP  63  18.794  -7.664   0.918
  471    HB3  ASP  63           HB3      ASP  63  19.227  -9.338   1.269
  472    HA   PRO  64           HA       PRO  64  20.430 -11.489  -2.728
  473    HB2  PRO  64           HB2      PRO  64  20.505 -13.853  -1.362
  474    HB3  PRO  64           HB3      PRO  64  21.983 -12.945  -1.795
  475    HG2  PRO  64           HG2      PRO  64  20.485 -12.891   0.858
  476    HG3  PRO  64           HG3      PRO  64  22.240 -13.130   0.584
  477    HD2  PRO  64           HD2      PRO  64  21.196 -10.706   1.208
  478    HD3  PRO  64           HD3      PRO  64  22.559 -10.847   0.055
  479    H    ILE  65           H        ILE  65  18.516 -12.681  -3.331
  480    HA   ILE  65           HA       ILE  65  16.160 -11.670  -2.213
  481    HB   ILE  65           HB       ILE  65  16.775 -12.782  -4.536
  482   HG12  ILE  65          HG12      ILE  65  13.982 -12.837  -3.401
  483   HG13  ILE  65          HG13      ILE  65  14.815 -11.417  -4.019
  484   HG21  ILE  65          HG21      ILE  65  15.237 -15.100  -3.342
  485   HG22  ILE  65          HG22      ILE  65  15.902 -14.954  -4.978
  486   HG23  ILE  65          HG23      ILE  65  16.996 -15.106  -3.599
  487   HD11  ILE  65          HD11      ILE  65  13.992 -13.845  -5.654
  488   HD12  ILE  65          HD12      ILE  65  13.322 -12.208  -5.734
  489   HD13  ILE  65          HD13      ILE  65  14.982 -12.498  -6.268
  490    H    GLU  66           H        GLU  66  18.002 -14.418  -1.230
  491    HA   GLU  66           HA       GLU  66  16.001 -16.018  -0.034
  492    HB2  GLU  66           HB2      GLU  66  18.858 -15.802   1.003
  493    HB3  GLU  66           HB3      GLU  66  17.810 -17.227   0.963
  494    HG2  GLU  66           HG2      GLU  66  17.989 -17.130  -1.576
  495    HG3  GLU  66           HG3      GLU  66  19.172 -15.828  -1.352
  496    H    ASN  67           H        ASN  67  17.700 -13.169   0.942
  497    HA   ASN  67           HA       ASN  67  17.432 -13.245   3.773
  498    HB2  ASN  67           HB2      ASN  67  18.855 -11.677   2.275
  499    HB3  ASN  67           HB3      ASN  67  17.379 -10.730   2.060
  500   HD21  ASN  67          HD22      ASN  67  19.780 -11.912   4.413
  501   HD22  ASN  67          HD21      ASN  67  19.419 -10.741   5.656
  502    H    PHE  68           H        PHE  68  15.094 -12.657   1.275
  503    HA   PHE  68           HA       PHE  68  13.170 -11.255   3.059
  504    HB2  PHE  68           HB2      PHE  68  13.222 -11.598   0.029
  505    HB3  PHE  68           HB3      PHE  68  12.082 -10.616   0.939
  506    HD1  PHE  68           HD2      PHE  68  15.530 -10.886  -0.242
  507    HD2  PHE  68           HD1      PHE  68  12.705  -8.495   1.906
  508    HE1  PHE  68           HE2      PHE  68  17.107  -8.947  -0.376
  509    HE2  PHE  68           HE1      PHE  68  14.251  -6.517   1.759
  510    HZ   PHE  68           HZ       PHE  68  16.449  -6.756   0.618
  511    H    ASN  69           H        ASN  69  10.824 -11.814   1.961
  512    HA   ASN  69           HA       ASN  69  10.601 -14.618   1.396
  513    HB2  ASN  69           HB2      ASN  69   9.983 -14.233   3.878
  514    HB3  ASN  69           HB3      ASN  69   8.686 -13.171   3.260
  515   HD21  ASN  69          HD22      ASN  69   8.241 -15.439   4.972
  516   HD22  ASN  69          HD21      ASN  69   7.262 -16.558   4.054
  517    H    ALA  70           H        ALA  70   8.963 -14.887  -0.258
  518    HA   ALA  70           HA       ALA  70   8.450 -12.349  -1.517
  519    HB1  ALA  70           HB1      ALA  70   7.545 -15.098  -2.436
  520    HB2  ALA  70           HB2      ALA  70   7.733 -13.626  -3.427
  521    HB3  ALA  70           HB3      ALA  70   9.158 -14.437  -2.789
  522    H    ASP  71           H        ASP  71   6.899 -14.575   0.628
  523    HA   ASP  71           HA       ASP  71   4.267 -14.072  -0.159
  524    HB2  ASP  71           HB2      ASP  71   4.878 -15.943   1.333
  525    HB3  ASP  71           HB3      ASP  71   5.372 -14.800   2.592
  526    H    ASP  72           H        ASP  72   6.571 -12.118   1.602
  527    HA   ASP  72           HA       ASP  72   4.670 -10.322   2.827
  528    HB2  ASP  72           HB2      ASP  72   6.956 -10.748   3.764
  529    HB3  ASP  72           HB3      ASP  72   7.636  -9.992   2.315
  530    H    TYR  73           H        TYR  73   6.336 -10.698  -0.203
  531    HA   TYR  73           HA       TYR  73   6.017  -7.969  -1.096
  532    HB2  TYR  73           HB2      TYR  73   7.287 -10.449  -2.240
  533    HB3  TYR  73           HB3      TYR  73   6.836  -9.148  -3.322
  534    HD1  TYR  73           HD2      TYR  73   8.600  -9.578  -0.004
  535    HD2  TYR  73           HD1      TYR  73   8.420  -7.502  -3.789
  536    HE1  TYR  73           HE2      TYR  73  10.468  -8.153   0.708
  537    HE2  TYR  73           HE1      TYR  73  10.331  -6.078  -3.089
  538    HH   TYR  73           HH       TYR  73  11.838  -6.343   0.178
  539    H    ASP  74           H        ASP  74   5.051  -7.669  -3.375
  540    HA   ASP  74           HA       ASP  74   2.413  -9.086  -3.526
  541    HB2  ASP  74           HB2      ASP  74   2.107  -6.801  -2.728
  542    HB3  ASP  74           HB3      ASP  74   3.027  -6.177  -4.098
  543    H    VAL  75           H        VAL  75   5.085  -7.459  -5.327
  544    HA   VAL  75           HA       VAL  75   4.254  -8.930  -7.748
  545    HB   VAL  75           HB       VAL  75   3.268  -6.909  -8.104
  546   HG11  VAL  75          HG11      VAL  75   3.825  -5.562  -6.221
  547   HG12  VAL  75          HG12      VAL  75   5.456  -5.321  -6.856
  548   HG13  VAL  75          HG13      VAL  75   4.060  -4.658  -7.706
  549   HG21  VAL  75          HG21      VAL  75   4.722  -7.463  -9.971
  550   HG22  VAL  75          HG22      VAL  75   4.586  -5.696  -9.781
  551   HG23  VAL  75          HG23      VAL  75   6.051  -6.540  -9.260
  552    H    VAL  76           H        VAL  76   5.875  -9.763  -8.957
  553    HA   VAL  76           HA       VAL  76   8.633  -8.818  -8.544
  554    HB   VAL  76           HB       VAL  76   7.646 -11.636  -8.226
  555   HG11  VAL  76          HG11      VAL  76  10.066 -12.271  -7.867
  556   HG12  VAL  76          HG12      VAL  76   9.694 -11.776  -9.515
  557   HG13  VAL  76          HG13      VAL  76  10.530 -10.653  -8.423
  558   HG21  VAL  76          HG21      VAL  76   9.338 -10.089  -6.197
  559   HG22  VAL  76          HG22      VAL  76   7.571 -10.205  -6.099
  560   HG23  VAL  76          HG23      VAL  76   8.510 -11.651  -5.997
  561    H    ILE  77           H        ILE  77   9.622  -8.714 -10.447
  562    HA   ILE  77           HA       ILE  77   8.153  -9.606 -12.870
  563    HB   ILE  77           HB       ILE  77  10.055  -7.300 -12.388
  564   HG12  ILE  77          HG12      ILE  77   8.047  -6.823 -11.070
  565   HG13  ILE  77          HG13      ILE  77   8.147  -5.759 -12.441
  566   HG21  ILE  77          HG21      ILE  77   8.275  -7.979 -14.765
  567   HG22  ILE  77          HG22      ILE  77   9.140  -6.448 -14.529
  568   HG23  ILE  77          HG23      ILE  77  10.052  -7.951 -14.705
  569   HD11  ILE  77          HD11      ILE  77   6.421  -7.012 -13.633
  570   HD12  ILE  77          HD12      ILE  77   6.360  -8.217 -12.310
  571   HD13  ILE  77          HD13      ILE  77   5.862  -6.554 -12.017
  572    H    SER  78           H        SER  78   9.189 -11.450 -13.543
  573    HA   SER  78           HA       SER  78  12.090 -11.668 -13.021
  574    HB2  SER  78           HB2      SER  78   9.955 -13.731 -13.666
  575    HB3  SER  78           HB3      SER  78  11.650 -14.101 -13.286
  576    HG   SER  78           HG       SER  78  11.323 -13.509 -11.178
  577    H    LEU  79           H        LEU  79  12.296 -10.122 -14.825
  578    HA   LEU  79           HA       LEU  79  11.193 -10.768 -17.393
  579    HB2  LEU  79           HB2      LEU  79  12.450  -8.738 -18.177
  580    HB3  LEU  79           HB3      LEU  79  11.220  -8.525 -16.953
  581    HG   LEU  79           HG       LEU  79  12.834  -8.189 -15.205
  582   HD11  LEU  79          HD11      LEU  79  15.314  -8.115 -15.728
  583   HD12  LEU  79          HD12      LEU  79  14.610  -9.739 -15.716
  584   HD13  LEU  79          HD13      LEU  79  14.928  -8.946 -17.260
  585   HD21  LEU  79          HD21      LEU  79  12.287  -6.251 -16.619
  586   HD22  LEU  79          HD22      LEU  79  13.944  -6.153 -15.997
  587   HD23  LEU  79          HD23      LEU  79  13.670  -6.630 -17.682
  588    H    CYS  80           H        CYS  80  12.981 -12.842 -16.420
  589    HA   CYS  80           HA       CYS  80  14.277 -13.332 -18.922
  590    HB2  CYS  80           HB2      CYS  80  15.938 -13.351 -16.361
  591    HB3  CYS  80           HB3      CYS  80  16.465 -14.036 -17.891
  592    H    GLY  81           H        GLY  81  12.011 -14.535 -18.085
  593    HA2  GLY  81           HA2      GLY  81  11.257 -16.721 -18.112
  594    HA3  GLY  81           HA3      GLY  81  12.890 -17.311 -17.803
  595    H    SER  82           H        SER  82  11.764 -18.834 -16.298
  596    HA   SER  82           HA       SER  82  11.320 -17.737 -13.621
  597    HB2  SER  82           HB2      SER  82   9.005 -18.796 -13.539
  598    HB3  SER  82           HB3      SER  82   9.149 -17.306 -14.473
  599    HG   SER  82           HG       SER  82   9.148 -18.531 -16.392
  600    H    GLY  83           H        GLY  83  11.289 -19.383 -11.978
  601    HA2  GLY  83           HA2      GLY  83  11.996 -21.335 -11.021
  602    HA3  GLY  83           HA3      GLY  83  11.357 -22.167 -12.446
  603    H    VAL  84           H        VAL  84  13.920 -19.724 -12.661
  604    HA   VAL  84           HA       VAL  84  15.441 -21.500 -14.284
  605    HB   VAL  84           HB       VAL  84  16.973 -19.620 -14.557
  606   HG11  VAL  84          HG11      VAL  84  14.107 -18.617 -14.623
  607   HG12  VAL  84          HG12      VAL  84  15.473 -18.089 -15.617
  608   HG13  VAL  84          HG13      VAL  84  14.822 -19.723 -15.818
  609   HG21  VAL  84          HG21      VAL  84  15.352 -18.126 -12.448
  610   HG22  VAL  84          HG22      VAL  84  17.052 -18.656 -12.299
  611   HG23  VAL  84          HG23      VAL  84  16.608 -17.445 -13.495
  612    H    ASN  85           H        ASN  85  15.677 -20.630 -10.950
  613    HA   ASN  85           HA       ASN  85  17.089 -22.818 -10.004
  614    HB2  ASN  85           HB2      ASN  85  19.189 -21.956 -10.982
  615    HB3  ASN  85           HB3      ASN  85  18.884 -20.343 -10.343
  616   HD21  ASN  85          HD22      ASN  85  19.563 -23.758  -9.361
  617   HD22  ASN  85          HD21      ASN  85  20.255 -23.342  -7.813
  618    H    LEU  86           H        LEU  86  16.847 -19.310  -9.762
  619    HA   LEU  86           HA       LEU  86  16.400 -18.643  -7.191
  620    HB2  LEU  86           HB2      LEU  86  16.519 -17.062  -8.913
  621    HB3  LEU  86           HB3      LEU  86  15.224 -17.782  -9.844
  622    HG   LEU  86           HG       LEU  86  14.462 -16.701  -7.152
  623   HD11  LEU  86          HD11      LEU  86  15.971 -14.911  -7.983
  624   HD12  LEU  86          HD12      LEU  86  15.148 -14.930  -9.559
  625   HD13  LEU  86          HD13      LEU  86  14.289 -14.379  -8.103
  626   HD21  LEU  86          HD21      LEU  86  12.711 -17.626  -8.669
  627   HD22  LEU  86          HD22      LEU  86  12.508 -15.873  -8.574
  628   HD23  LEU  86          HD23      LEU  86  13.271 -16.591  -9.997
  629    HA   PRO  87           HA       PRO  87  13.181 -21.121  -5.875
  630    HB2  PRO  87           HB2      PRO  87  12.327 -19.019  -3.885
  631    HB3  PRO  87           HB3      PRO  87  12.648 -20.756  -3.613
  632    HG2  PRO  87           HG2      PRO  87  14.534 -18.917  -2.996
  633    HG3  PRO  87           HG3      PRO  87  14.994 -20.443  -3.821
  634    HD2  PRO  87           HD2      PRO  87  14.582 -17.699  -5.047
  635    HD3  PRO  87           HD3      PRO  87  15.893 -18.891  -5.293
  636    HA   PRO  88           HA       PRO  88   9.467 -20.269  -7.962
  637    HB2  PRO  88           HB2      PRO  88   7.980 -22.036  -6.016
  638    HB3  PRO  88           HB3      PRO  88   8.012 -22.112  -7.808
  639    HG2  PRO  88           HG2      PRO  88   9.475 -23.864  -6.354
  640    HG3  PRO  88           HG3      PRO  88  10.206 -23.079  -7.793
  641    HD2  PRO  88           HD2      PRO  88  10.510 -22.295  -4.875
  642    HD3  PRO  88           HD3      PRO  88  11.761 -22.529  -6.127
  643    H    GLU  89           H        GLU  89   9.110 -19.808  -4.438
  644    HA   GLU  89           HA       GLU  89   6.611 -18.612  -4.445
  645    HB2  GLU  89           HB2      GLU  89   7.229 -17.629  -2.306
  646    HB3  GLU  89           HB3      GLU  89   7.910 -19.252  -2.446
  647    HG2  GLU  89           HG2      GLU  89  10.130 -18.231  -3.046
  648    HG3  GLU  89           HG3      GLU  89   9.430 -16.630  -2.808
  649    H    TRP  90           H        TRP  90   9.468 -17.340  -5.837
  650    HA   TRP  90           HA       TRP  90   8.732 -14.519  -5.709
  651    HB2  TRP  90           HB2      TRP  90  10.904 -16.132  -7.060
  652    HB3  TRP  90           HB3      TRP  90  10.809 -14.371  -7.166
  653    HD1  TRP  90           HD1      TRP  90  12.224 -17.028  -4.984
  654    HE1  TRP  90           HE1      TRP  90  12.875 -16.155  -2.658
  655    HE3  TRP  90           HE3      TRP  90  10.344 -12.348  -5.364
  656    HZ2  TRP  90           HZ2      TRP  90  12.284 -13.795  -1.033
  657    HZ3  TRP  90           HZ3      TRP  90  10.209 -10.843  -3.397
  658    HH2  TRP  90           HH2      TRP  90  11.172 -11.547  -1.237
  659    H    VAL  91           H        VAL  91   8.267 -17.207  -7.964
  660    HA   VAL  91           HA       VAL  91   7.274 -15.346 -10.011
  661    HB   VAL  91           HB       VAL  91   7.437 -17.334 -11.500
  662   HG11  VAL  91          HG11      VAL  91   9.126 -15.537 -11.445
  663   HG12  VAL  91          HG12      VAL  91  10.041 -16.407 -10.197
  664   HG13  VAL  91          HG13      VAL  91   9.864 -17.097 -11.819
  665   HG21  VAL  91          HG21      VAL  91   9.170 -18.575  -9.334
  666   HG22  VAL  91          HG22      VAL  91   7.522 -19.121  -9.731
  667   HG23  VAL  91          HG23      VAL  91   8.806 -19.231 -10.939
  668    H    THR  92           H        THR  92   6.058 -17.317  -7.473
  669    HA   THR  92           HA       THR  92   3.465 -17.459  -8.847
  670    HB   THR  92           HB       THR  92   2.892 -18.948  -6.948
  671    HG1  THR  92           HG1      THR  92   4.019 -18.192  -5.238
  672   HG21  THR  92          HG21      THR  92   5.645 -19.627  -8.046
  673   HG22  THR  92          HG22      THR  92   4.464 -20.758  -7.369
  674   HG23  THR  92          HG23      THR  92   4.103 -19.901  -8.893
  675    H    GLN  93           H        GLN  93   4.432 -14.856  -8.177
  676    HA   GLN  93           HA       GLN  93   3.217 -14.012  -5.735
  677    HB2  GLN  93           HB2      GLN  93   4.513 -12.609  -8.109
  678    HB3  GLN  93           HB3      GLN  93   3.809 -11.671  -6.794
  679    HG2  GLN  93           HG2      GLN  93   5.909 -13.836  -6.340
  680    HG3  GLN  93           HG3      GLN  93   6.262 -12.136  -6.588
  681   HE21  GLN  93          HE22      GLN  93   5.362 -14.481  -4.190
  682   HE22  GLN  93          HE21      GLN  93   5.083 -13.304  -2.903
  683    H    GLU  94           H        GLU  94   1.700 -11.859  -5.937
  684    HA   GLU  94           HA       GLU  94  -0.809 -12.848  -6.874
  685    HB2  GLU  94           HB2      GLU  94   0.033 -10.019  -6.098
  686    HB3  GLU  94           HB3      GLU  94  -1.625 -10.525  -6.373
  687    HG2  GLU  94           HG2      GLU  94   0.218 -11.614  -4.197
  688    HG3  GLU  94           HG3      GLU  94  -1.070 -10.441  -3.971
  689    H    ILE  95           H        ILE  95   1.724 -10.993  -8.378
  690    HA   ILE  95           HA       ILE  95   0.432 -11.335 -10.979
  691    HB   ILE  95           HB       ILE  95  -0.049  -9.050 -10.720
  692   HG12  ILE  95          HG12      ILE  95   2.689  -9.093 -12.071
  693   HG13  ILE  95          HG13      ILE  95   1.204  -9.703 -12.815
  694   HG21  ILE  95          HG21      ILE  95   1.181  -8.536  -8.658
  695   HG22  ILE  95          HG22      ILE  95   2.719  -8.627  -9.542
  696   HG23  ILE  95          HG23      ILE  95   1.551  -7.338  -9.874
  697   HD11  ILE  95          HD11      ILE  95   1.766  -7.455 -13.622
  698   HD12  ILE  95          HD12      ILE  95   0.218  -7.442 -12.738
  699   HD13  ILE  95          HD13      ILE  95   1.699  -6.812 -11.985
  700    H    PHE  96           H        PHE  96   1.807 -12.461 -12.188
  701    HA   PHE  96           HA       PHE  96   4.707 -12.549 -11.512
  702    HB2  PHE  96           HB2      PHE  96   3.977 -14.717 -11.409
  703    HB3  PHE  96           HB3      PHE  96   2.842 -14.542 -12.746
  704    HD1  PHE  96           HD1      PHE  96   6.557 -14.322 -12.067
  705    HD2  PHE  96           HD2      PHE  96   3.439 -15.386 -14.853
  706    HE1  PHE  96           HE1      PHE  96   8.261 -15.139 -13.677
  707    HE2  PHE  96           HE2      PHE  96   5.149 -16.213 -16.447
  708    HZ   PHE  96           HZ       PHE  96   7.564 -16.084 -15.863
  709    H    GLU  97           H        GLU  97   6.039 -11.637 -13.200
  710    HA   GLU  97           HA       GLU  97   4.937 -11.340 -15.901
  711    HB2  GLU  97           HB2      GLU  97   6.206  -9.078 -14.366
  712    HB3  GLU  97           HB3      GLU  97   6.033  -9.062 -16.103
  713    HG2  GLU  97           HG2      GLU  97   3.635  -9.238 -14.238
  714    HG3  GLU  97           HG3      GLU  97   4.342  -7.727 -14.775
  715    H    ASP  98           H        ASP  98   6.785 -10.703 -17.365
  716    HA   ASP  98           HA       ASP  98   9.369 -11.574 -17.020
  717    HB2  ASP  98           HB2      ASP  98   8.722 -13.825 -16.435
  718    HB3  ASP  98           HB3      ASP  98   7.460 -13.845 -17.668
  719    H    TRP  99           H        TRP  99  10.314 -10.998 -18.992
  720    HA   TRP  99           HA       TRP  99   8.584 -10.744 -21.378
  721    HB2  TRP  99           HB2      TRP  99   9.947  -8.342 -20.114
  722    HB3  TRP  99           HB3      TRP  99   9.080  -8.340 -21.646
  723    HD1  TRP  99           HD1      TRP  99   6.313  -9.561 -20.939
  724    HE1  TRP  99           HE1      TRP  99   4.734  -8.529 -19.204
  725    HE3  TRP  99           HE3      TRP  99   9.692  -6.784 -18.306
  726    HZ2  TRP  99           HZ2      TRP  99   4.846  -6.472 -17.174
  727    HZ3  TRP  99           HZ3      TRP  99   8.943  -5.407 -16.428
  728    HH2  TRP  99           HH2      TRP  99   6.528  -5.164 -15.874
  729    H    GLN 100           H        GLN 100   9.740 -10.538 -23.318
  730    HA   GLN 100           HA       GLN 100  12.558 -11.280 -23.191
  731    HB2  GLN 100           HB2      GLN 100  10.707 -12.261 -24.740
  732    HB3  GLN 100           HB3      GLN 100  10.924 -10.801 -25.702
  733    HG2  GLN 100           HG2      GLN 100  12.335 -12.369 -26.728
  734    HG3  GLN 100           HG3      GLN 100  13.460 -11.452 -25.734
  735   HE21  GLN 100          HE22      GLN 100  11.847 -14.593 -26.183
  736   HE22  GLN 100          HE21      GLN 100  12.756 -15.454 -24.961
  737    H    LEU 101           H        LEU 101  12.612  -9.013 -21.978
  738    HA   LEU 101           HA       LEU 101  12.730  -6.642 -23.630
  739    HB2  LEU 101           HB2      LEU 101  12.941  -7.287 -20.792
  740    HB3  LEU 101           HB3      LEU 101  14.366  -6.377 -21.234
  741    HG   LEU 101           HG       LEU 101  13.037  -4.508 -22.016
  742   HD11  LEU 101          HD11      LEU 101  11.042  -5.547 -22.967
  743   HD12  LEU 101          HD12      LEU 101  10.615  -6.216 -21.373
  744   HD13  LEU 101          HD13      LEU 101  10.571  -4.455 -21.670
  745   HD21  LEU 101          HD21      LEU 101  12.047  -5.598 -19.336
  746   HD22  LEU 101          HD22      LEU 101  13.567  -4.709 -19.596
  747   HD23  LEU 101          HD23      LEU 101  11.998  -3.906 -19.849
  748    H    GLU 102           H        GLU 102  14.567  -5.557 -24.478
  749    HA   GLU 102           HA       GLU 102  16.845  -7.272 -25.003
  750    HB2  GLU 102           HB2      GLU 102  16.039  -4.485 -25.873
  751    HB3  GLU 102           HB3      GLU 102  17.684  -5.059 -26.132
  752    HG2  GLU 102           HG2      GLU 102  15.138  -6.362 -27.168
  753    HG3  GLU 102           HG3      GLU 102  16.260  -5.384 -28.109
  754    H    ASP 103           H        ASP 103  19.111  -6.251 -24.523
  755    HA   ASP 103           HA       ASP 103  19.121  -4.637 -22.107
  756    HB2  ASP 103           HB2      ASP 103  19.420  -6.869 -21.226
  757    HB3  ASP 103           HB3      ASP 103  20.720  -7.192 -22.385
  758    HA   PRO 104           HA       PRO 104  22.094  -2.907 -24.925
  759    HB2  PRO 104           HB2      PRO 104  22.604  -0.566 -23.826
  760    HB3  PRO 104           HB3      PRO 104  20.923  -1.036 -24.207
  761    HG2  PRO 104           HG2      PRO 104  22.317  -1.272 -21.509
  762    HG3  PRO 104           HG3      PRO 104  20.750  -0.470 -21.868
  763    HD2  PRO 104           HD2      PRO 104  20.952  -3.063 -21.023
  764    HD3  PRO 104           HD3      PRO 104  19.670  -2.518 -22.132
  765    H    ASP 105           H        ASP 105  23.328  -4.484 -22.196
  766    HA   ASP 105           HA       ASP 105  25.732  -3.186 -21.631
  767    HB2  ASP 105           HB2      ASP 105  25.011  -4.998 -20.252
  768    HB3  ASP 105           HB3      ASP 105  25.082  -6.144 -21.612
  769    H    GLY 106           H        GLY 106  27.476  -2.734 -22.883
  770    HA2  GLY 106           HA2      GLY 106  29.147  -2.903 -24.412
  771    HA3  GLY 106           HA3      GLY 106  28.760  -4.622 -24.593
  772    H    GLN 107           H        GLN 107  25.980  -2.738 -25.266
  773    HA   GLN 107           HA       GLN 107  26.391  -3.093 -28.187
  774    HB2  GLN 107           HB2      GLN 107  23.773  -2.513 -26.781
  775    HB3  GLN 107           HB3      GLN 107  24.052  -3.060 -28.434
  776    HG2  GLN 107           HG2      GLN 107  25.207  -5.125 -27.014
  777    HG3  GLN 107           HG3      GLN 107  23.941  -4.597 -25.895
  778   HE21  GLN 107          HE22      GLN 107  22.035  -5.777 -26.128
  779   HE22  GLN 107          HE21      GLN 107  21.515  -6.491 -27.639
  780    H    SER 108           H        SER 108  25.363  -1.363 -29.573
  781    HA   SER 108           HA       SER 108  26.499   1.165 -28.973
  782    HB2  SER 108           HB2      SER 108  24.514   0.385 -31.143
  783    HB3  SER 108           HB3      SER 108  25.606   1.787 -31.167
  784    HG   SER 108           HG       SER 108  26.460   0.022 -32.366
  785    H    LEU 109           H        LEU 109  25.251   3.272 -29.156
  786    HA   LEU 109           HA       LEU 109  23.493   3.521 -26.962
  787    HB2  LEU 109           HB2      LEU 109  23.914   5.442 -29.281
  788    HB3  LEU 109           HB3      LEU 109  23.094   5.830 -27.769
  789    HG   LEU 109           HG       LEU 109  26.042   5.149 -28.098
  790   HD11  LEU 109          HD11      LEU 109  25.358   7.419 -28.804
  791   HD12  LEU 109          HD12      LEU 109  24.637   7.701 -27.200
  792   HD13  LEU 109          HD13      LEU 109  26.389   7.461 -27.366
  793   HD21  LEU 109          HD21      LEU 109  26.232   5.719 -25.660
  794   HD22  LEU 109          HD22      LEU 109  24.459   5.658 -25.549
  795   HD23  LEU 109          HD23      LEU 109  25.393   4.198 -25.965
  796    H    GLU 110           H        GLU 110  22.659   2.918 -30.348
  797    HA   GLU 110           HA       GLU 110  19.912   3.522 -30.233
  798    HB2  GLU 110           HB2      GLU 110  19.688   1.607 -31.911
  799    HB3  GLU 110           HB3      GLU 110  20.747   2.957 -32.345
  800    HG2  GLU 110           HG2      GLU 110  22.721   1.602 -31.779
  801    HG3  GLU 110           HG3      GLU 110  21.676   0.260 -31.295
  802    H    VAL 111           H        VAL 111  21.650   0.735 -28.875
  803    HA   VAL 111           HA       VAL 111  19.200  -0.687 -28.285
  804    HB   VAL 111           HB       VAL 111  21.958  -1.269 -27.233
  805   HG11  VAL 111          HG11      VAL 111  20.036  -2.496 -26.151
  806   HG12  VAL 111          HG12      VAL 111  19.612  -3.143 -27.752
  807   HG13  VAL 111          HG13      VAL 111  21.179  -3.538 -27.000
  808   HG21  VAL 111          HG21      VAL 111  21.920  -2.956 -29.245
  809   HG22  VAL 111          HG22      VAL 111  20.647  -1.913 -29.911
  810   HG23  VAL 111          HG23      VAL 111  22.268  -1.264 -29.614
  811    H    PHE 112           H        PHE 112  21.518   1.354 -26.364
  812    HA   PHE 112           HA       PHE 112  20.104   1.146 -23.867
  813    HB2  PHE 112           HB2      PHE 112  21.749   3.395 -25.109
  814    HB3  PHE 112           HB3      PHE 112  21.016   3.505 -23.521
  815    HD1  PHE 112           HD2      PHE 112  21.751   2.064 -21.642
  816    HD2  PHE 112           HD1      PHE 112  23.791   2.014 -25.447
  817    HE1  PHE 112           HE2      PHE 112  23.660   0.823 -20.627
  818    HE2  PHE 112           HE1      PHE 112  25.691   0.832 -24.410
  819    HZ   PHE 112           HZ       PHE 112  25.622   0.199 -22.009
  820    H    ARG 113           H        ARG 113  19.621   3.377 -26.660
  821    HA   ARG 113           HA       ARG 113  17.418   4.804 -25.526
  822    HB2  ARG 113           HB2      ARG 113  18.266   4.251 -28.406
  823    HB3  ARG 113           HB3      ARG 113  16.972   5.379 -27.980
  824    HG2  ARG 113           HG2      ARG 113  18.430   6.878 -26.895
  825    HG3  ARG 113           HG3      ARG 113  19.737   5.694 -26.754
  826    HD2  ARG 113           HD2      ARG 113  20.063   5.707 -29.190
  827    HD3  ARG 113           HD3      ARG 113  18.747   6.897 -29.366
  828    HE   ARG 113           HE       ARG 113  20.607   7.937 -27.515
  829   HH11  ARG 113          HH21      ARG 113  20.477   7.190 -30.988
  830   HH12  ARG 113          HH22      ARG 113  21.657   8.371 -31.433
  831   HH21  ARG 113          HH11      ARG 113  22.163   9.527 -28.105
  832   HH22  ARG 113          HH12      ARG 113  22.623   9.737 -29.753
  833    H    THR 114           H        THR 114  17.446   1.872 -27.658
  834    HA   THR 114           HA       THR 114  14.662   1.509 -27.840
  835    HB   THR 114           HB       THR 114  17.157  -0.207 -27.997
  836    HG1  THR 114           HG1      THR 114  16.948   1.035 -29.739
  837   HG21  THR 114          HG21      THR 114  15.562  -1.790 -27.273
  838   HG22  THR 114          HG22      THR 114  14.343  -1.196 -28.422
  839   HG23  THR 114          HG23      THR 114  15.834  -2.008 -29.007
  840    H    VAL 115           H        VAL 115  17.060   0.247 -25.418
  841    HA   VAL 115           HA       VAL 115  15.066  -1.296 -24.131
  842    HB   VAL 115           HB       VAL 115  17.882  -0.528 -23.297
  843   HG11  VAL 115          HG11      VAL 115  15.882  -2.411 -21.948
  844   HG12  VAL 115          HG12      VAL 115  17.618  -2.441 -21.628
  845   HG13  VAL 115          HG13      VAL 115  16.685  -0.999 -21.218
  846   HG21  VAL 115          HG21      VAL 115  18.347  -2.855 -23.967
  847   HG22  VAL 115          HG22      VAL 115  16.608  -3.139 -24.219
  848   HG23  VAL 115          HG23      VAL 115  17.512  -2.080 -25.311
  849    H    ARG 116           H        ARG 116  16.289   2.015 -23.470
  850    HA   ARG 116           HA       ARG 116  14.734   2.384 -21.117
  851    HB2  ARG 116           HB2      ARG 116  15.575   4.377 -23.280
  852    HB3  ARG 116           HB3      ARG 116  14.651   4.833 -21.835
  853    HG2  ARG 116           HG2      ARG 116  16.464   3.804 -20.420
  854    HG3  ARG 116           HG3      ARG 116  17.451   3.619 -21.867
  855    HD2  ARG 116           HD2      ARG 116  16.309   6.276 -20.890
  856    HD3  ARG 116           HD3      ARG 116  17.876   5.664 -20.426
  857    HE   ARG 116           HE       ARG 116  18.765   6.010 -22.523
  858   HH11  ARG 116          HH21      ARG 116  15.317   6.995 -22.690
  859   HH12  ARG 116          HH22      ARG 116  15.600   8.140 -23.942
  860   HH21  ARG 116          HH11      ARG 116  19.086   7.580 -24.162
  861   HH22  ARG 116          HH12      ARG 116  17.743   8.446 -24.805
  862    H    GLY 117           H        GLY 117  13.770   2.735 -24.580
  863    HA2  GLY 117           HA2      GLY 117  11.109   3.597 -24.113
  864    HA3  GLY 117           HA3      GLY 117  11.698   2.759 -25.559
  865    H    GLN 118           H        GLN 118  12.309   0.277 -24.851
  866    HA   GLN 118           HA       GLN 118   9.924  -1.186 -24.539
  867    HB2  GLN 118           HB2      GLN 118  12.845  -1.862 -23.980
  868    HB3  GLN 118           HB3      GLN 118  11.586  -3.057 -23.753
  869    HG2  GLN 118           HG2      GLN 118  12.040  -1.611 -26.397
  870    HG3  GLN 118           HG3      GLN 118  12.830  -3.119 -25.968
  871   HE21  GLN 118          HE22      GLN 118  11.070  -2.834 -28.257
  872   HE22  GLN 118          HE21      GLN 118   9.689  -3.864 -27.980
  873    H    VAL 119           H        VAL 119  12.386  -0.435 -22.109
  874    HA   VAL 119           HA       VAL 119  11.076  -1.769 -19.963
  875    HB   VAL 119           HB       VAL 119  13.126   0.488 -20.039
  876   HG11  VAL 119          HG11      VAL 119  11.948   0.573 -17.889
  877   HG12  VAL 119          HG12      VAL 119  12.116  -1.179 -17.727
  878   HG13  VAL 119          HG13      VAL 119  13.560  -0.103 -17.690
  879   HG21  VAL 119          HG21      VAL 119  14.766  -1.168 -19.779
  880   HG22  VAL 119          HG22      VAL 119  13.639  -2.373 -19.131
  881   HG23  VAL 119          HG23      VAL 119  13.656  -1.997 -20.866
  882    H    LYS 120           H        LYS 120  11.061   1.766 -20.865
  883    HA   LYS 120           HA       LYS 120   9.540   2.596 -18.660
  884    HB2  LYS 120           HB2      LYS 120  10.649   4.083 -20.404
  885    HB3  LYS 120           HB3      LYS 120   9.321   3.669 -21.518
  886    HG2  LYS 120           HG2      LYS 120   7.694   4.655 -19.916
  887    HG3  LYS 120           HG3      LYS 120   9.015   5.014 -18.785
  888    HD2  LYS 120           HD2      LYS 120  10.046   6.521 -20.465
  889    HD3  LYS 120           HD3      LYS 120   8.732   6.144 -21.603
  890    HE2  LYS 120           HE2      LYS 120   7.074   7.036 -19.945
  891    HE3  LYS 120           HE3      LYS 120   8.404   7.470 -18.860
  892    HZ1  LYS 120           HZ1      LYS 120   9.213   9.004 -20.586
  893    HZ2  LYS 120           HZ2      LYS 120   7.980   8.591 -21.589
  894    HZ3  LYS 120           HZ3      LYS 120   7.674   9.362 -20.184
  895    H    GLU 121           H        GLU 121   8.463   1.443 -21.882
  896    HA   GLU 121           HA       GLU 121   5.717   1.853 -21.419
  897    HB2  GLU 121           HB2      GLU 121   6.795   1.634 -23.586
  898    HB3  GLU 121           HB3      GLU 121   7.205  -0.058 -23.262
  899    HG2  GLU 121           HG2      GLU 121   4.839  -0.679 -23.194
  900    HG3  GLU 121           HG3      GLU 121   4.350   1.009 -23.370
  901    H    ARG 122           H        ARG 122   7.742  -1.095 -20.861
  902    HA   ARG 122           HA       ARG 122   5.425  -2.663 -20.055
  903    HB2  ARG 122           HB2      ARG 122   8.362  -3.266 -19.780
  904    HB3  ARG 122           HB3      ARG 122   7.007  -4.364 -19.409
  905    HG2  ARG 122           HG2      ARG 122   6.126  -3.817 -21.805
  906    HG3  ARG 122           HG3      ARG 122   7.727  -3.147 -22.109
  907    HD2  ARG 122           HD2      ARG 122   8.530  -5.462 -21.138
  908    HD3  ARG 122           HD3      ARG 122   6.860  -5.936 -21.513
  909    HE   ARG 122           HE       ARG 122   8.671  -4.635 -23.541
  910   HH11  ARG 122          HH11      ARG 122   6.522  -7.384 -22.805
  911   HH12  ARG 122          HH12      ARG 122   6.654  -8.057 -24.392
  912   HH21  ARG 122          HH21      ARG 122   8.865  -5.501 -25.568
  913   HH22  ARG 122          HH22      ARG 122   8.015  -6.948 -26.024
  914    H    VAL 123           H        VAL 123   7.903  -0.836 -18.240
  915    HA   VAL 123           HA       VAL 123   6.955  -1.620 -15.641
  916    HB   VAL 123           HB       VAL 123   8.450   0.808 -16.560
  917   HG11  VAL 123          HG11      VAL 123   9.170   0.987 -14.168
  918   HG12  VAL 123          HG12      VAL 123   7.445   1.295 -14.390
  919   HG13  VAL 123          HG13      VAL 123   7.983  -0.267 -13.746
  920   HG21  VAL 123          HG21      VAL 123   9.629  -1.451 -16.867
  921   HG22  VAL 123          HG22      VAL 123  10.446  -0.310 -15.783
  922   HG23  VAL 123          HG23      VAL 123   9.517  -1.661 -15.117
  923    H    GLU 124           H        GLU 124   6.075   1.108 -17.916
  924    HA   GLU 124           HA       GLU 124   4.184   2.338 -16.209
  925    HB2  GLU 124           HB2      GLU 124   4.470   2.146 -19.230
  926    HB3  GLU 124           HB3      GLU 124   3.062   2.923 -18.537
  927    HG2  GLU 124           HG2      GLU 124   5.866   3.849 -17.871
  928    HG3  GLU 124           HG3      GLU 124   4.992   4.391 -19.286
  929    H    ASN 125           H        ASN 125   3.788  -0.246 -18.632
  930    HA   ASN 125           HA       ASN 125   0.990  -0.500 -18.333
  931    HB2  ASN 125           HB2      ASN 125   2.261  -1.433 -20.249
  932    HB3  ASN 125           HB3      ASN 125   3.042  -2.597 -19.179
  933   HD21  ASN 125          HD22      ASN 125  -0.224  -1.581 -20.403
  934   HD22  ASN 125          HD21      ASN 125  -0.926  -3.171 -20.253
  935    H    LEU 126           H        LEU 126   3.641  -2.218 -16.627
  936    HA   LEU 126           HA       LEU 126   2.132  -3.926 -14.986
  937    HB2  LEU 126           HB2      LEU 126   4.510  -4.145 -15.159
  938    HB3  LEU 126           HB3      LEU 126   4.778  -2.460 -14.733
  939    HG   LEU 126           HG       LEU 126   3.991  -2.898 -12.416
  940   HD11  LEU 126          HD11      LEU 126   2.540  -4.849 -12.900
  941   HD12  LEU 126          HD12      LEU 126   3.958  -5.801 -13.373
  942   HD13  LEU 126          HD13      LEU 126   3.752  -5.259 -11.695
  943   HD21  LEU 126          HD21      LEU 126   6.031  -4.108 -11.742
  944   HD22  LEU 126          HD22      LEU 126   6.312  -4.532 -13.459
  945   HD23  LEU 126          HD23      LEU 126   6.316  -2.836 -12.942
  946    H    ILE 127           H        ILE 127   3.223  -0.501 -14.392
  947    HA   ILE 127           HA       ILE 127   2.062  -0.365 -11.756
  948    HB   ILE 127           HB       ILE 127   3.015   1.642 -13.842
  949   HG12  ILE 127          HG12      ILE 127   4.195   0.832 -11.161
  950   HG13  ILE 127          HG13      ILE 127   4.628  -0.007 -12.642
  951   HG21  ILE 127          HG21      ILE 127   1.348   2.780 -12.432
  952   HG22  ILE 127          HG22      ILE 127   2.181   2.216 -10.967
  953   HG23  ILE 127          HG23      ILE 127   2.963   3.369 -12.080
  954   HD11  ILE 127          HD11      ILE 127   6.326   1.595 -12.204
  955   HD12  ILE 127          HD12      ILE 127   5.390   2.177 -13.604
  956   HD13  ILE 127          HD13      ILE 127   5.140   2.896 -11.994
  957    H    ALA 128           H        ALA 128   0.935   0.686 -15.026
  958    HA   ALA 128           HA       ALA 128  -1.500   1.791 -14.233
  959    HB1  ALA 128           HB1      ALA 128  -2.206   1.450 -16.567
  960    HB2  ALA 128           HB2      ALA 128  -0.520   2.005 -16.500
  961    HB3  ALA 128           HB3      ALA 128  -0.887   0.291 -16.820
  962    H    LYS 129           H        LYS 129  -0.739  -1.709 -14.768
  963    HA   LYS 129           HA       LYS 129  -3.534  -2.353 -14.411
  964    HB2  LYS 129           HB2      LYS 129  -3.015  -4.650 -14.678
  965    HB3  LYS 129           HB3      LYS 129  -2.239  -3.688 -15.933
  966    HG2  LYS 129           HG2      LYS 129  -0.093  -3.852 -14.678
  967    HG3  LYS 129           HG3      LYS 129  -0.889  -4.861 -13.467
  968    HD2  LYS 129           HD2      LYS 129   0.412  -6.212 -14.954
  969    HD3  LYS 129           HD3      LYS 129  -1.304  -6.583 -15.220
  970    HE2  LYS 129           HE2      LYS 129  -1.270  -5.203 -17.275
  971    HE3  LYS 129           HE3      LYS 129   0.377  -4.668 -16.905
  972    HZ1  LYS 129           HZ1      LYS 129   0.477  -6.388 -18.524
  973    HZ2  LYS 129           HZ2      LYS 129   1.093  -7.027 -17.141
  974    HZ3  LYS 129           HZ3      LYS 129  -0.420  -7.432 -17.634
  975    H    ILE 130           H        ILE 130  -0.657  -2.439 -12.205
  976    HA   ILE 130           HA       ILE 130  -2.302  -3.708 -10.247
  977    HB   ILE 130           HB       ILE 130  -0.449  -3.733  -8.826
  978   HG12  ILE 130          HG12      ILE 130   0.910  -1.881 -10.787
  979   HG13  ILE 130          HG13      ILE 130   0.561  -1.590  -9.095
  980   HG21  ILE 130          HG21      ILE 130  -0.703  -5.379 -10.710
  981   HG22  ILE 130          HG22      ILE 130   0.503  -4.436 -11.622
  982   HG23  ILE 130          HG23      ILE 130   0.937  -5.208 -10.085
  983   HD11  ILE 130          HD11      ILE 130   2.553  -3.596 -10.172
  984   HD12  ILE 130          HD12      ILE 130   2.911  -2.064  -9.385
  985   HD13  ILE 130          HD13      ILE 130   2.161  -3.362  -8.433
  986    H    SER 131           H        SER 131  -1.204  -0.363 -10.686
  987    HA   SER 131           HA       SER 131  -2.116   0.396  -8.062
  988    HB2  SER 131           HB2      SER 131  -0.645   1.880 -10.251
  989    HB3  SER 131           HB3      SER 131  -1.031   2.539  -8.641
  990    HG   SER 131           HG       SER 131   1.091   1.561  -8.729
  Start of MODEL    9
    1    H    MET   1           H        MET   1   2.386  -0.618   1.025
    2    HA   MET   1           HA       MET   1   0.816  -0.199  -1.435
    3    HB2  MET   1           HB2      MET   1   2.267   1.406  -2.198
    4    HB3  MET   1           HB3      MET   1   2.146   1.810  -0.508
    5    HG2  MET   1           HG2      MET   1   4.352   0.394  -0.263
    6    HG3  MET   1           HG3      MET   1   4.460   0.592  -2.019
    7    HE1  MET   1           HE1      MET   1   5.044   4.427  -2.455
    8    HE2  MET   1           HE2      MET   1   5.114   2.830  -3.233
    9    HE3  MET   1           HE3      MET   1   3.550   3.497  -2.695
   10    H    LYS   2           H        LYS   2   1.863  -1.075  -3.453
   11    HA   LYS   2           HA       LYS   2   2.512  -3.859  -2.874
   12    HB2  LYS   2           HB2      LYS   2   2.663  -2.744  -5.649
   13    HB3  LYS   2           HB3      LYS   2   2.171  -4.321  -5.111
   14    HG2  LYS   2           HG2      LYS   2   0.054  -3.435  -4.198
   15    HG3  LYS   2           HG3      LYS   2   0.540  -1.794  -4.628
   16    HD2  LYS   2           HD2      LYS   2   0.738  -2.700  -7.062
   17    HD3  LYS   2           HD3      LYS   2  -0.276  -4.025  -6.490
   18    HE2  LYS   2           HE2      LYS   2  -0.960  -1.049  -6.121
   19    HE3  LYS   2           HE3      LYS   2  -1.397  -1.940  -7.569
   20    HZ1  LYS   2           HZ1      LYS   2  -2.330  -2.660  -4.832
   21    HZ2  LYS   2           HZ2      LYS   2  -3.214  -1.899  -5.971
   22    HZ3  LYS   2           HZ3      LYS   2  -2.742  -3.434  -6.223
   23    H    LYS   3           H        LYS   3   4.552  -4.709  -2.547
   24    HA   LYS   3           HA       LYS   3   6.858  -2.994  -3.290
   25    HB2  LYS   3           HB2      LYS   3   6.887  -5.603  -1.758
   26    HB3  LYS   3           HB3      LYS   3   8.247  -4.512  -2.042
   27    HG2  LYS   3           HG2      LYS   3   7.001  -2.700  -0.842
   28    HG3  LYS   3           HG3      LYS   3   5.732  -3.881  -0.452
   29    HD2  LYS   3           HD2      LYS   3   7.380  -5.265   0.765
   30    HD3  LYS   3           HD3      LYS   3   8.658  -4.083   0.378
   31    HE2  LYS   3           HE2      LYS   3   7.384  -2.297   1.515
   32    HE3  LYS   3           HE3      LYS   3   6.064  -3.434   1.849
   33    HZ1  LYS   3           HZ1      LYS   3   7.457  -3.247   3.802
   34    HZ2  LYS   3           HZ2      LYS   3   7.662  -4.760   3.188
   35    HZ3  LYS   3           HZ3      LYS   3   8.816  -3.609   2.969
   36    H    VAL   4           H        VAL   4   8.244  -3.449  -4.848
   37    HA   VAL   4           HA       VAL   4   7.460  -5.587  -6.768
   38    HB   VAL   4           HB       VAL   4   8.675  -2.987  -7.594
   39   HG11  VAL   4          HG11      VAL   4   6.604  -4.754  -8.950
   40   HG12  VAL   4          HG12      VAL   4   7.384  -3.344  -9.654
   41   HG13  VAL   4          HG13      VAL   4   8.350  -4.782  -9.296
   42   HG21  VAL   4          HG21      VAL   4   5.684  -3.225  -7.165
   43   HG22  VAL   4          HG22      VAL   4   6.790  -2.192  -6.228
   44   HG23  VAL   4          HG23      VAL   4   6.583  -1.887  -7.936
   45    H    MET   5           H        MET   5   9.125  -6.553  -7.916
   46    HA   MET   5           HA       MET   5  11.928  -5.637  -7.637
   47    HB2  MET   5           HB2      MET   5  11.006  -8.519  -7.263
   48    HB3  MET   5           HB3      MET   5  12.672  -8.028  -7.577
   49    HG2  MET   5           HG2      MET   5  12.364  -6.539  -5.454
   50    HG3  MET   5           HG3      MET   5  11.031  -7.640  -5.095
   51    HE1  MET   5           HE1      MET   5  13.837  -8.877  -2.665
   52    HE2  MET   5           HE2      MET   5  13.638  -7.184  -3.188
   53    HE3  MET   5           HE3      MET   5  12.213  -8.195  -2.849
   54    H    PHE   6           H        PHE   6  13.141  -6.091  -9.515
   55    HA   PHE   6           HA       PHE   6  11.891  -7.660 -11.685
   56    HB2  PHE   6           HB2      PHE   6  13.333  -4.989 -12.070
   57    HB3  PHE   6           HB3      PHE   6  12.785  -6.075 -13.337
   58    HD1  PHE   6           HD1      PHE   6  11.611  -3.878 -10.577
   59    HD2  PHE   6           HD2      PHE   6  10.568  -5.919 -14.228
   60    HE1  PHE   6           HE1      PHE   6   9.448  -2.679 -10.628
   61    HE2  PHE   6           HE2      PHE   6   8.425  -4.657 -14.319
   62    HZ   PHE   6           HZ       PHE   6   7.852  -3.057 -12.497
   63    H    VAL   7           H        VAL   7  13.332  -9.379 -11.756
   64    HA   VAL   7           HA       VAL   7  16.235  -8.825 -11.308
   65    HB   VAL   7           HB       VAL   7  14.259 -10.547  -9.772
   66   HG11  VAL   7          HG11      VAL   7  17.290 -10.918  -9.782
   67   HG12  VAL   7          HG12      VAL   7  16.197 -11.572  -8.546
   68   HG13  VAL   7          HG13      VAL   7  16.043 -12.121 -10.211
   69   HG21  VAL   7          HG21      VAL   7  15.311  -9.554  -7.794
   70   HG22  VAL   7          HG22      VAL   7  16.402  -8.607  -8.834
   71   HG23  VAL   7          HG23      VAL   7  14.647  -8.324  -8.846
   72    H    CYS   8           H        CYS   8  17.408  -9.808 -12.841
   73    HA   CYS   8           HA       CYS   8  16.266 -12.040 -14.473
   74    HB2  CYS   8           HB2      CYS   8  17.182 -10.081 -15.632
   75    HB3  CYS   8           HB3      CYS   8  18.684 -10.205 -14.740
   76    H    LYS   9           H        LYS   9  19.055 -13.228 -14.814
   77    HA   LYS   9           HA       LYS   9  19.264 -14.801 -12.404
   78    HB2  LYS   9           HB2      LYS   9  20.198 -15.549 -14.537
   79    HB3  LYS   9           HB3      LYS   9  21.317 -14.178 -14.581
   80    HG2  LYS   9           HG2      LYS   9  22.508 -15.035 -12.606
   81    HG3  LYS   9           HG3      LYS   9  21.339 -16.363 -12.445
   82    HD2  LYS   9           HD2      LYS   9  22.090 -17.359 -14.532
   83    HD3  LYS   9           HD3      LYS   9  23.008 -15.919 -14.950
   84    HE2  LYS   9           HE2      LYS   9  24.531 -17.643 -14.254
   85    HE3  LYS   9           HE3      LYS   9  24.594 -16.309 -13.104
   86    HZ1  LYS   9           HZ1      LYS   9  23.390 -17.599 -11.511
   87    HZ2  LYS   9           HZ2      LYS   9  23.035 -18.794 -12.619
   88    HZ3  LYS   9           HZ3      LYS   9  24.564 -18.548 -12.096
   89    H    ARG  10           H        ARG  10  20.611 -11.667 -13.400
   90    HA   ARG  10           HA       ARG  10  21.510 -11.168 -10.614
   91    HB2  ARG  10           HB2      ARG  10  23.116 -10.464 -13.137
   92    HB3  ARG  10           HB3      ARG  10  23.560 -10.084 -11.460
   93    HG2  ARG  10           HG2      ARG  10  23.437 -12.620 -11.055
   94    HG3  ARG  10           HG3      ARG  10  23.448 -12.796 -12.812
   95    HD2  ARG  10           HD2      ARG  10  25.623 -11.764 -12.980
   96    HD3  ARG  10           HD3      ARG  10  25.612 -11.348 -11.245
   97    HE   ARG  10           HE       ARG  10  25.177 -14.114 -11.374
   98   HH11  ARG  10          HH21      ARG  10  27.887 -11.974 -12.282
   99   HH12  ARG  10          HH22      ARG  10  29.084 -13.173 -11.940
  100   HH21  ARG  10          HH11      ARG  10  26.633 -15.577 -10.905
  101   HH22  ARG  10          HH12      ARG  10  28.359 -15.347 -11.137
  102    H    ASN  11           H        ASN  11  21.945  -8.679 -10.450
  103    HA   ASN  11           HA       ASN  11  19.695  -7.164 -11.447
  104    HB2  ASN  11           HB2      ASN  11  20.777  -6.630  -9.306
  105    HB3  ASN  11           HB3      ASN  11  22.269  -6.208 -10.162
  106   HD21  ASN  11          HD22      ASN  11  22.380  -3.992  -9.666
  107   HD22  ASN  11          HD21      ASN  11  21.106  -2.852 -10.059
  108    H    SER  12           H        SER  12  22.789  -7.987 -12.773
  109    HA   SER  12           HA       SER  12  23.395  -6.010 -14.577
  110    HB2  SER  12           HB2      SER  12  23.583  -8.991 -15.131
  111    HB3  SER  12           HB3      SER  12  24.731  -7.722 -15.570
  112    HG   SER  12           HG       SER  12  25.610  -8.700 -13.798
  113    H    SER  13           H        SER  13  23.298  -6.269 -16.969
  114    HA   SER  13           HA       SER  13  22.289  -6.250 -18.907
  115    HB2  SER  13           HB2      SER  13  20.975  -8.823 -18.027
  116    HB3  SER  13           HB3      SER  13  21.384  -8.324 -19.679
  117    HG   SER  13           HG       SER  13  22.965  -9.744 -18.780
  118    H    ARG  14           H        ARG  14  19.266  -7.665 -17.557
  119    HA   ARG  14           HA       ARG  14  17.881  -5.345 -18.839
  120    HB2  ARG  14           HB2      ARG  14  16.832  -8.073 -17.919
  121    HB3  ARG  14           HB3      ARG  14  15.842  -6.780 -18.599
  122    HG2  ARG  14           HG2      ARG  14  16.280  -7.531 -20.655
  123    HG3  ARG  14           HG3      ARG  14  17.935  -7.018 -20.453
  124    HD2  ARG  14           HD2      ARG  14  18.147  -9.187 -21.151
  125    HD3  ARG  14           HD3      ARG  14  18.360  -9.376 -19.409
  126    HE   ARG  14           HE       ARG  14  15.745  -9.888 -19.543
  127   HH11  ARG  14          HH11      ARG  14  18.225 -11.001 -21.848
  128   HH12  ARG  14          HH12      ARG  14  17.319 -12.373 -22.365
  129   HH21  ARG  14          HH21      ARG  14  14.589 -11.781 -20.162
  130   HH22  ARG  14          HH22      ARG  14  15.209 -12.803 -21.414
  131    H    SER  15           H        SER  15  18.210  -6.849 -15.591
  132    HA   SER  15           HA       SER  15  15.996  -5.659 -14.408
  133    HB2  SER  15           HB2      SER  15  18.529  -6.103 -12.878
  134    HB3  SER  15           HB3      SER  15  16.874  -6.443 -12.404
  135    HG   SER  15           HG       SER  15  18.646  -8.100 -13.613
  136    H    GLN  16           H        GLN  16  19.257  -4.278 -14.715
  137    HA   GLN  16           HA       GLN  16  19.117  -1.972 -13.257
  138    HB2  GLN  16           HB2      GLN  16  20.626  -0.965 -14.891
  139    HB3  GLN  16           HB3      GLN  16  21.091  -2.573 -14.359
  140    HG2  GLN  16           HG2      GLN  16  20.225  -3.515 -16.510
  141    HG3  GLN  16           HG3      GLN  16  19.863  -1.876 -17.067
  142   HE21  GLN  16          HE22      GLN  16  21.564  -3.460 -18.607
  143   HE22  GLN  16          HE21      GLN  16  23.192  -2.817 -18.509
  144    H    MET  17           H        MET  17  17.596  -2.405 -16.541
  145    HA   MET  17           HA       MET  17  16.720   0.375 -16.424
  146    HB2  MET  17           HB2      MET  17  17.473  -1.207 -18.507
  147    HB3  MET  17           HB3      MET  17  15.723  -1.355 -18.614
  148    HG2  MET  17           HG2      MET  17  17.352   1.193 -18.500
  149    HG3  MET  17           HG3      MET  17  16.572   0.552 -19.947
  150    HE1  MET  17           HE1      MET  17  16.369   3.661 -17.901
  151    HE2  MET  17           HE2      MET  17  14.941   3.443 -16.850
  152    HE3  MET  17           HE3      MET  17  16.400   2.469 -16.595
  153    H    ALA  18           H        ALA  18  15.293  -2.852 -16.154
  154    HA   ALA  18           HA       ALA  18  12.573  -2.060 -16.293
  155    HB1  ALA  18           HB1      ALA  18  13.783  -4.358 -14.739
  156    HB2  ALA  18           HB2      ALA  18  12.093  -4.230 -15.298
  157    HB3  ALA  18           HB3      ALA  18  13.397  -4.401 -16.487
  158    H    GLU  19           H        GLU  19  14.613  -2.443 -13.333
  159    HA   GLU  19           HA       GLU  19  12.433  -1.439 -11.706
  160    HB2  GLU  19           HB2      GLU  19  13.908  -1.635  -9.898
  161    HB3  GLU  19           HB3      GLU  19  14.352  -2.927 -10.996
  162    HG2  GLU  19           HG2      GLU  19  16.378  -2.121 -10.311
  163    HG3  GLU  19           HG3      GLU  19  16.194  -1.325 -11.870
  164    H    GLY  20           H        GLY  20  15.056  -0.045 -13.527
  165    HA2  GLY  20           HA2      GLY  20  15.289   2.581 -12.707
  166    HA3  GLY  20           HA3      GLY  20  15.399   2.021 -14.377
  167    H    PHE  21           H        PHE  21  13.059   1.531 -15.403
  168    HA   PHE  21           HA       PHE  21  11.512   3.931 -15.175
  169    HB2  PHE  21           HB2      PHE  21  11.026   1.253 -16.488
  170    HB3  PHE  21           HB3      PHE  21   9.678   2.365 -16.301
  171    HD1  PHE  21           HD2      PHE  21  10.174   4.930 -16.851
  172    HD2  PHE  21           HD1      PHE  21  12.303   1.513 -18.390
  173    HE1  PHE  21           HE2      PHE  21  10.957   6.277 -18.811
  174    HE2  PHE  21           HE1      PHE  21  13.201   2.873 -20.240
  175    HZ   PHE  21           HZ       PHE  21  12.446   5.248 -20.521
  176    H    ALA  22           H        ALA  22  11.134   0.861 -13.389
  177    HA   ALA  22           HA       ALA  22   8.402   1.304 -12.896
  178    HB1  ALA  22           HB1      ALA  22   9.604  -0.840 -12.582
  179    HB2  ALA  22           HB2      ALA  22  10.384  -0.188 -11.121
  180    HB3  ALA  22           HB3      ALA  22   8.619  -0.402 -11.158
  181    H    LYS  23           H        LYS  23  11.219   2.585 -11.043
  182    HA   LYS  23           HA       LYS  23   9.594   3.699  -8.929
  183    HB2  LYS  23           HB2      LYS  23  11.497   5.050  -8.357
  184    HB3  LYS  23           HB3      LYS  23  12.099   3.490  -8.895
  185    HG2  LYS  23           HG2      LYS  23  12.182   4.796 -11.260
  186    HG3  LYS  23           HG3      LYS  23  12.199   6.206 -10.250
  187    HD2  LYS  23           HD2      LYS  23  14.407   5.510 -11.045
  188    HD3  LYS  23           HD3      LYS  23  14.321   5.547  -9.262
  189    HE2  LYS  23           HE2      LYS  23  14.005   3.030  -9.290
  190    HE3  LYS  23           HE3      LYS  23  14.146   3.067 -11.048
  191    HZ1  LYS  23           HZ1      LYS  23  16.261   3.729  -9.073
  192    HZ2  LYS  23           HZ2      LYS  23  16.224   2.466 -10.140
  193    HZ3  LYS  23           HZ3      LYS  23  16.438   4.006 -10.687
  194    H    THR  24           H        THR  24  10.276   4.892 -12.230
  195    HA   THR  24           HA       THR  24   9.221   7.497 -11.824
  196    HB   THR  24           HB       THR  24  10.190   5.783 -14.085
  197    HG1  THR  24           HG1      THR  24  11.082   8.263 -13.016
  198   HG21  THR  24          HG21      THR  24  10.042   7.738 -15.584
  199   HG22  THR  24          HG22      THR  24   8.504   6.945 -15.206
  200   HG23  THR  24          HG23      THR  24   8.921   8.498 -14.419
  201    H    LEU  25           H        LEU  25   8.027   4.607 -13.515
  202    HA   LEU  25           HA       LEU  25   5.489   5.789 -14.206
  203    HB2  LEU  25           HB2      LEU  25   6.450   2.901 -14.138
  204    HB3  LEU  25           HB3      LEU  25   4.942   3.428 -14.899
  205    HG   LEU  25           HG       LEU  25   7.736   4.335 -15.728
  206   HD11  LEU  25          HD11      LEU  25   5.901   2.176 -16.814
  207   HD12  LEU  25          HD12      LEU  25   7.346   2.783 -17.667
  208   HD13  LEU  25          HD13      LEU  25   7.503   1.975 -16.103
  209   HD21  LEU  25          HD21      LEU  25   6.573   5.084 -17.816
  210   HD22  LEU  25          HD22      LEU  25   5.013   4.729 -17.041
  211   HD23  LEU  25          HD23      LEU  25   6.070   5.996 -16.394
  212    H    GLY  26           H        GLY  26   6.592   3.687 -11.539
  213    HA2  GLY  26           HA2      GLY  26   3.876   3.239 -10.528
  214    HA3  GLY  26           HA3      GLY  26   5.405   2.526  -9.981
  215    H    ALA  27           H        ALA  27   5.839   5.864 -10.249
  216    HA   ALA  27           HA       ALA  27   6.577   6.295  -7.673
  217    HB1  ALA  27           HB1      ALA  27   7.046   7.850  -9.539
  218    HB2  ALA  27           HB2      ALA  27   5.337   8.338  -9.574
  219    HB3  ALA  27           HB3      ALA  27   6.343   8.712  -8.162
  220    H    GLY  28           H        GLY  28   5.592   6.390  -5.750
  221    HA2  GLY  28           HA2      GLY  28   4.094   6.938  -4.109
  222    HA3  GLY  28           HA3      GLY  28   3.061   7.713  -5.311
  223    H    LYS  29           H        LYS  29   3.225   4.848  -6.778
  224    HA   LYS  29           HA       LYS  29   0.846   3.769  -5.338
  225    HB2  LYS  29           HB2      LYS  29   1.970   2.964  -8.058
  226    HB3  LYS  29           HB3      LYS  29   0.423   2.473  -7.359
  227    HG2  LYS  29           HG2      LYS  29  -0.344   4.837  -7.433
  228    HG3  LYS  29           HG3      LYS  29   1.194   5.315  -8.168
  229    HD2  LYS  29           HD2      LYS  29   0.746   3.679 -10.045
  230    HD3  LYS  29           HD3      LYS  29  -0.864   3.406  -9.380
  231    HE2  LYS  29           HE2      LYS  29   0.254   6.109 -10.281
  232    HE3  LYS  29           HE3      LYS  29  -0.747   5.057 -11.281
  233    HZ1  LYS  29           HZ1      LYS  29  -2.079   6.769 -10.257
  234    HZ2  LYS  29           HZ2      LYS  29  -2.553   5.327  -9.664
  235    HZ3  LYS  29           HZ3      LYS  29  -1.637   6.339  -8.749
  236    H    ILE  30           H        ILE  30   4.100   2.781  -6.486
  237    HA   ILE  30           HA       ILE  30   3.949   0.388  -4.729
  238    HB   ILE  30           HB       ILE  30   4.637  -1.054  -6.569
  239   HG12  ILE  30          HG12      ILE  30   4.269   1.378  -8.374
  240   HG13  ILE  30          HG13      ILE  30   5.795   0.563  -8.030
  241   HG21  ILE  30          HG21      ILE  30   2.515  -1.321  -7.597
  242   HG22  ILE  30          HG22      ILE  30   2.188  -0.621  -5.998
  243   HG23  ILE  30          HG23      ILE  30   2.119   0.393  -7.453
  244   HD11  ILE  30          HD11      ILE  30   4.726  -1.537  -9.100
  245   HD12  ILE  30          HD12      ILE  30   3.468  -0.447  -9.711
  246   HD13  ILE  30          HD13      ILE  30   5.174  -0.190 -10.150
  247    H    ALA  31           H        ALA  31   6.002  -0.593  -4.298
  248    HA   ALA  31           HA       ALA  31   8.212   1.435  -4.250
  249    HB1  ALA  31           HB1      ALA  31   7.465  -0.776  -2.270
  250    HB2  ALA  31           HB2      ALA  31   8.826   0.345  -2.122
  251    HB3  ALA  31           HB3      ALA  31   7.160   0.971  -2.049
  252    H    VAL  32           H        VAL  32   9.645   0.761  -5.895
  253    HA   VAL  32           HA       VAL  32  10.138  -2.158  -6.197
  254    HB   VAL  32           HB       VAL  32   9.693  -0.852  -8.198
  255   HG11  VAL  32          HG11      VAL  32  11.333   0.716  -9.144
  256   HG12  VAL  32          HG12      VAL  32  10.637   1.354  -7.652
  257   HG13  VAL  32          HG13      VAL  32  12.277   0.668  -7.652
  258   HG21  VAL  32          HG21      VAL  32  11.107  -2.884  -8.266
  259   HG22  VAL  32          HG22      VAL  32  11.538  -1.710  -9.523
  260   HG23  VAL  32          HG23      VAL  32  12.554  -1.866  -8.070
  261    H    THR  33           H        THR  33  11.861  -3.165  -5.355
  262    HA   THR  33           HA       THR  33  14.350  -1.732  -4.856
  263    HB   THR  33           HB       THR  33  13.006  -3.369  -2.700
  264    HG1  THR  33           HG1      THR  33  12.970  -0.570  -3.056
  265   HG21  THR  33          HG21      THR  33  14.762  -2.436  -1.198
  266   HG22  THR  33          HG22      THR  33  15.458  -3.344  -2.548
  267   HG23  THR  33          HG23      THR  33  15.473  -1.569  -2.581
  268    H    SER  34           H        SER  34  15.350  -3.096  -6.427
  269    HA   SER  34           HA       SER  34  14.446  -5.894  -6.403
  270    HB2  SER  34           HB2      SER  34  16.040  -4.379  -8.501
  271    HB3  SER  34           HB3      SER  34  15.448  -6.047  -8.625
  272    HG   SER  34           HG       SER  34  13.939  -3.632  -8.437
  273    H    SER  35           H        SER  35  15.544  -6.154  -4.339
  274    HA   SER  35           HA       SER  35  18.343  -6.525  -4.067
  275    HB2  SER  35           HB2      SER  35  16.121  -8.122  -2.742
  276    HB3  SER  35           HB3      SER  35  17.717  -7.702  -2.079
  277    HG   SER  35           HG       SER  35  16.011  -6.309  -1.291
  278    H    GLY  36           H        GLY  36  19.305  -8.973  -3.756
  279    HA2  GLY  36           HA2      GLY  36  18.367 -10.833  -5.758
  280    HA3  GLY  36           HA3      GLY  36  19.754  -9.850  -6.278
  281    H    LEU  37           H        LEU  37  20.942 -11.933  -6.255
  282    HA   LEU  37           HA       LEU  37  21.741 -12.798  -3.564
  283    HB2  LEU  37           HB2      LEU  37  20.698 -14.349  -5.919
  284    HB3  LEU  37           HB3      LEU  37  21.668 -15.156  -4.679
  285    HG   LEU  37           HG       LEU  37  19.237 -13.540  -3.852
  286   HD11  LEU  37          HD11      LEU  37  17.749 -15.443  -4.209
  287   HD12  LEU  37          HD12      LEU  37  18.483 -14.940  -5.724
  288   HD13  LEU  37          HD13      LEU  37  19.104 -16.383  -4.896
  289   HD21  LEU  37          HD21      LEU  37  19.132 -15.289  -2.073
  290   HD22  LEU  37          HD22      LEU  37  20.558 -16.066  -2.772
  291   HD23  LEU  37          HD23      LEU  37  20.687 -14.432  -2.083
  292    H    GLU  38           H        GLU  38  22.525 -13.534  -6.953
  293    HA   GLU  38           HA       GLU  38  25.372 -13.557  -6.475
  294    HB2  GLU  38           HB2      GLU  38  23.909 -13.316  -9.107
  295    HB3  GLU  38           HB3      GLU  38  25.548 -13.943  -8.844
  296    HG2  GLU  38           HG2      GLU  38  24.488 -15.848  -7.548
  297    HG3  GLU  38           HG3      GLU  38  22.908 -15.207  -8.030
  298    H    SER  39           H        SER  39  23.027 -11.193  -7.283
  299    HA   SER  39           HA       SER  39  24.261  -9.444  -8.972
  300    HB2  SER  39           HB2      SER  39  22.151  -9.072  -6.804
  301    HB3  SER  39           HB3      SER  39  22.347  -7.993  -8.212
  302    HG   SER  39           HG       SER  39  20.718  -9.698  -8.469
  303    H    SER  40           H        SER  40  24.539  -7.157  -8.753
  304    HA   SER  40           HA       SER  40  26.255  -6.419  -6.448
  305    HB2  SER  40           HB2      SER  40  28.050  -6.013  -8.114
  306    HB3  SER  40           HB3      SER  40  27.520  -7.741  -7.993
  307    HG   SER  40           HG       SER  40  27.788  -7.169 -10.163
  308    H    ARG  41           H        ARG  41  26.371  -4.858  -9.579
  309    HA   ARG  41           HA       ARG  41  24.528  -2.732  -8.770
  310    HB2  ARG  41           HB2      ARG  41  27.288  -2.389  -8.268
  311    HB3  ARG  41           HB3      ARG  41  27.035  -1.543  -9.806
  312    HG2  ARG  41           HG2      ARG  41  25.170  -0.267  -8.800
  313    HG3  ARG  41           HG3      ARG  41  25.376  -1.159  -7.276
  314    HD2  ARG  41           HD2      ARG  41  27.565  -0.196  -6.929
  315    HD3  ARG  41           HD3      ARG  41  27.505   0.621  -8.511
  316    HE   ARG  41           HE       ARG  41  25.201   1.434  -7.187
  317   HH11  ARG  41          HH21      ARG  41  28.661   1.640  -6.370
  318   HH12  ARG  41          HH22      ARG  41  28.530   3.185  -5.606
  319   HH21  ARG  41          HH11      ARG  41  25.076   3.534  -6.409
  320   HH22  ARG  41          HH12      ARG  41  26.396   4.268  -5.537
  321    H    VAL  42           H        VAL  42  24.778  -0.964 -10.789
  322    HA   VAL  42           HA       VAL  42  23.824  -2.598 -13.012
  323    HB   VAL  42           HB       VAL  42  22.726  -0.705 -13.723
  324   HG11  VAL  42          HG11      VAL  42  22.584  -0.468 -10.704
  325   HG12  VAL  42          HG12      VAL  42  21.365   0.016 -11.886
  326   HG13  VAL  42          HG13      VAL  42  21.759  -1.699 -11.715
  327   HG21  VAL  42          HG21      VAL  42  24.550   0.974 -11.979
  328   HG22  VAL  42          HG22      VAL  42  24.295   1.043 -13.753
  329   HG23  VAL  42          HG23      VAL  42  23.022   1.585 -12.661
  330    H    HIS  43           H        HIS  43  24.329  -1.323 -15.295
  331    HA   HIS  43           HA       HIS  43  27.258  -1.628 -15.591
  332    HB2  HIS  43           HB2      HIS  43  25.011  -1.420 -17.627
  333    HB3  HIS  43           HB3      HIS  43  26.698  -1.632 -18.032
  334    HD1  HIS  43           HD1      HIS  43  27.164  -4.092 -18.636
  335    HD2  HIS  43           HD2      HIS  43  24.227  -3.612 -15.652
  336    HE1  HIS  43           HE1      HIS  43  26.410  -6.420 -17.973
  337    HA   PRO  44           HA       PRO  44  28.173   2.635 -15.712
  338    HB2  PRO  44           HB2      PRO  44  30.092   2.918 -17.703
  339    HB3  PRO  44           HB3      PRO  44  30.388   2.215 -16.080
  340    HG2  PRO  44           HG2      PRO  44  29.782   0.755 -18.678
  341    HG3  PRO  44           HG3      PRO  44  31.061   0.390 -17.472
  342    HD2  PRO  44           HD2      PRO  44  28.759  -0.988 -17.476
  343    HD3  PRO  44           HD3      PRO  44  29.469  -0.464 -15.922
  344    H    THR  45           H        THR  45  28.061   1.665 -19.230
  345    HA   THR  45           HA       THR  45  27.185   4.195 -20.088
  346    HB   THR  45           HB       THR  45  26.792   1.572 -21.458
  347    HG1  THR  45           HG1      THR  45  28.921   1.811 -22.191
  348   HG21  THR  45          HG21      THR  45  27.260   4.367 -22.596
  349   HG22  THR  45          HG22      THR  45  27.190   2.874 -23.556
  350   HG23  THR  45          HG23      THR  45  25.752   3.426 -22.699
  351    H    ALA  46           H        ALA  46  25.370   1.497 -18.737
  352    HA   ALA  46           HA       ALA  46  22.772   2.210 -19.603
  353    HB1  ALA  46           HB1      ALA  46  23.413   0.112 -18.229
  354    HB2  ALA  46           HB2      ALA  46  23.458   1.160 -16.773
  355    HB3  ALA  46           HB3      ALA  46  21.956   0.946 -17.678
  356    H    ILE  47           H        ILE  47  24.618   3.343 -16.755
  357    HA   ILE  47           HA       ILE  47  22.477   4.885 -15.732
  358    HB   ILE  47           HB       ILE  47  25.526   5.273 -15.560
  359   HG12  ILE  47          HG12      ILE  47  23.802   4.224 -13.313
  360   HG13  ILE  47          HG13      ILE  47  24.303   3.133 -14.597
  361   HG21  ILE  47          HG21      ILE  47  23.366   6.635 -13.900
  362   HG22  ILE  47          HG22      ILE  47  25.088   6.631 -13.480
  363   HG23  ILE  47          HG23      ILE  47  24.553   7.416 -14.959
  364   HD11  ILE  47          HD11      ILE  47  25.811   3.075 -12.629
  365   HD12  ILE  47          HD12      ILE  47  26.647   3.526 -14.132
  366   HD13  ILE  47          HD13      ILE  47  26.250   4.764 -12.925
  367    H    ALA  48           H        ALA  48  25.050   5.763 -18.070
  368    HA   ALA  48           HA       ALA  48  24.299   8.481 -18.245
  369    HB1  ALA  48           HB1      ALA  48  26.462   7.632 -19.119
  370    HB2  ALA  48           HB2      ALA  48  25.610   6.680 -20.360
  371    HB3  ALA  48           HB3      ALA  48  25.563   8.457 -20.409
  372    H    MET  49           H        MET  49  23.194   5.653 -20.215
  373    HA   MET  49           HA       MET  49  21.510   7.321 -21.879
  374    HB2  MET  49           HB2      MET  49  21.551   4.309 -21.377
  375    HB3  MET  49           HB3      MET  49  20.604   5.112 -22.638
  376    HG2  MET  49           HG2      MET  49  23.643   5.195 -22.382
  377    HG3  MET  49           HG3      MET  49  22.755   4.217 -23.512
  378    HE1  MET  49           HE1      MET  49  24.297   7.547 -22.710
  379    HE2  MET  49           HE2      MET  49  25.120   6.465 -23.857
  380    HE3  MET  49           HE3      MET  49  24.554   8.067 -24.396
  381    H    MET  50           H        MET  50  21.021   5.594 -18.851
  382    HA   MET  50           HA       MET  50  18.129   5.821 -18.984
  383    HB2  MET  50           HB2      MET  50  19.892   5.107 -16.629
  384    HB3  MET  50           HB3      MET  50  18.143   4.960 -16.714
  385    HG2  MET  50           HG2      MET  50  20.212   3.119 -17.659
  386    HG3  MET  50           HG3      MET  50  18.579   2.802 -17.230
  387    HE1  MET  50           HE1      MET  50  19.256   0.734 -19.035
  388    HE2  MET  50           HE2      MET  50  19.090   0.967 -20.776
  389    HE3  MET  50           HE3      MET  50  20.589   1.440 -19.949
  390    H    GLU  51           H        GLU  51  20.869   7.719 -17.711
  391    HA   GLU  51           HA       GLU  51  19.189   9.636 -16.433
  392    HB2  GLU  51           HB2      GLU  51  21.512   9.245 -15.762
  393    HB3  GLU  51           HB3      GLU  51  22.083   9.817 -17.340
  394    HG2  GLU  51           HG2      GLU  51  21.217  12.061 -16.874
  395    HG3  GLU  51           HG3      GLU  51  20.473  11.494 -15.374
  396    H    GLU  52           H        GLU  52  20.199   9.033 -19.760
  397    HA   GLU  52           HA       GLU  52  19.498  11.655 -20.674
  398    HB2  GLU  52           HB2      GLU  52  19.790   9.043 -22.178
  399    HB3  GLU  52           HB3      GLU  52  19.192  10.492 -22.954
  400    HG2  GLU  52           HG2      GLU  52  21.844  10.414 -21.466
  401    HG3  GLU  52           HG3      GLU  52  21.684  10.018 -23.172
  402    H    VAL  53           H        VAL  53  17.622   8.762 -19.896
  403    HA   VAL  53           HA       VAL  53  15.175  10.276 -20.652
  404    HB   VAL  53           HB       VAL  53  15.405   7.908 -21.309
  405   HG11  VAL  53          HG11      VAL  53  14.912   7.353 -18.363
  406   HG12  VAL  53          HG12      VAL  53  14.653   6.170 -19.648
  407   HG13  VAL  53          HG13      VAL  53  16.274   6.818 -19.371
  408   HG21  VAL  53          HG21      VAL  53  13.261   9.165 -21.303
  409   HG22  VAL  53          HG22      VAL  53  13.084   7.416 -21.113
  410   HG23  VAL  53          HG23      VAL  53  12.904   8.470 -19.701
  411    H    GLY  54           H        GLY  54  17.192  10.758 -18.303
  412    HA2  GLY  54           HA2      GLY  54  16.960  12.047 -16.453
  413    HA3  GLY  54           HA3      GLY  54  15.205  12.021 -16.656
  414    H    ILE  55           H        ILE  55  16.829   8.902 -16.425
  415    HA   ILE  55           HA       ILE  55  15.650   8.527 -13.720
  416    HB   ILE  55           HB       ILE  55  15.997   6.686 -16.020
  417   HG12  ILE  55          HG12      ILE  55  13.671   7.935 -14.533
  418   HG13  ILE  55          HG13      ILE  55  14.020   7.967 -16.254
  419   HG21  ILE  55          HG21      ILE  55  16.649   5.445 -13.976
  420   HG22  ILE  55          HG22      ILE  55  15.085   5.871 -13.243
  421   HG23  ILE  55          HG23      ILE  55  15.183   4.830 -14.684
  422   HD11  ILE  55          HD11      ILE  55  12.129   6.542 -15.898
  423   HD12  ILE  55          HD12      ILE  55  13.482   5.469 -16.295
  424   HD13  ILE  55          HD13      ILE  55  12.957   5.671 -14.590
  425    H    ASP  56           H        ASP  56  16.837   7.784 -12.062
  426    HA   ASP  56           HA       ASP  56  19.755   7.353 -12.416
  427    HB2  ASP  56           HB2      ASP  56  19.342   8.738 -10.552
  428    HB3  ASP  56           HB3      ASP  56  17.955   7.774 -10.023
  429    H    ILE  57           H        ILE  57  20.636   5.375 -12.183
  430    HA   ILE  57           HA       ILE  57  19.056   3.140 -11.080
  431    HB   ILE  57           HB       ILE  57  19.977   1.566 -12.779
  432   HG12  ILE  57          HG12      ILE  57  20.396   3.980 -14.582
  433   HG13  ILE  57          HG13      ILE  57  21.727   3.309 -13.643
  434   HG21  ILE  57          HG21      ILE  57  17.655   2.275 -12.841
  435   HG22  ILE  57          HG22      ILE  57  18.069   3.708 -13.819
  436   HG23  ILE  57          HG23      ILE  57  18.250   2.085 -14.489
  437   HD11  ILE  57          HD11      ILE  57  21.676   2.431 -15.903
  438   HD12  ILE  57          HD12      ILE  57  21.528   1.149 -14.700
  439   HD13  ILE  57          HD13      ILE  57  20.100   1.671 -15.627
  440    H    SER  58           H        SER  58  22.219   4.558 -11.847
  441    HA   SER  58           HA       SER  58  24.059   3.163 -10.493
  442    HB2  SER  58           HB2      SER  58  24.437   5.799  -9.577
  443    HB3  SER  58           HB3      SER  58  25.035   5.115 -11.082
  444    HG   SER  58           HG       SER  58  22.579   6.534 -10.675
  445    H    GLY  59           H        GLY  59  21.490   5.048  -8.861
  446    HA2  GLY  59           HA2      GLY  59  22.498   4.908  -6.237
  447    HA3  GLY  59           HA3      GLY  59  20.802   5.120  -6.695
  448    H    GLN  60           H        GLN  60  21.261   2.253  -8.138
  449    HA   GLN  60           HA       GLN  60  20.243   0.676  -5.949
  450    HB2  GLN  60           HB2      GLN  60  21.186  -0.008  -8.772
  451    HB3  GLN  60           HB3      GLN  60  20.694  -1.209  -7.604
  452    HG2  GLN  60           HG2      GLN  60  18.447   0.095  -7.456
  453    HG3  GLN  60           HG3      GLN  60  18.954   0.814  -8.998
  454   HE21  GLN  60          HE22      GLN  60  19.218  -0.653 -10.866
  455   HE22  GLN  60          HE21      GLN  60  18.729  -2.349 -10.778
  456    H    THR  61           H        THR  61  21.216  -1.064  -5.034
  457    HA   THR  61           HA       THR  61  23.756  -2.079  -5.733
  458    HB   THR  61           HB       THR  61  24.196  -2.194  -3.186
  459    HG1  THR  61           HG1      THR  61  23.433  -0.479  -1.946
  460   HG21  THR  61          HG21      THR  61  25.663  -1.005  -4.786
  461   HG22  THR  61          HG22      THR  61  24.704   0.479  -4.543
  462   HG23  THR  61          HG23      THR  61  25.634  -0.220  -3.203
  463    H    SER  62           H        SER  62  23.823  -4.297  -4.442
  464    HA   SER  62           HA       SER  62  21.022  -5.347  -4.528
  465    HB2  SER  62           HB2      SER  62  23.620  -6.658  -5.341
  466    HB3  SER  62           HB3      SER  62  21.996  -7.375  -5.389
  467    HG   SER  62           HG       SER  62  22.946  -5.109  -6.846
  468    H    ASP  63           H        ASP  63  20.532  -5.282  -2.355
  469    HA   ASP  63           HA       ASP  63  22.272  -6.433  -0.313
  470    HB2  ASP  63           HB2      ASP  63  19.543  -5.294  -0.451
  471    HB3  ASP  63           HB3      ASP  63  19.672  -6.708   0.615
  472    HA   PRO  64           HA       PRO  64  21.210 -10.716  -1.200
  473    HB2  PRO  64           HB2      PRO  64  21.027 -11.810   1.323
  474    HB3  PRO  64           HB3      PRO  64  22.581 -11.422   0.519
  475    HG2  PRO  64           HG2      PRO  64  21.076  -9.763   2.567
  476    HG3  PRO  64           HG3      PRO  64  22.820 -10.142   2.513
  477    HD2  PRO  64           HD2      PRO  64  21.772  -7.810   1.592
  478    HD3  PRO  64           HD3      PRO  64  23.194  -8.561   0.805
  479    H    ILE  65           H        ILE  65  19.193 -11.488  -1.707
  480    HA   ILE  65           HA       ILE  65  16.857 -10.163  -1.015
  481    HB   ILE  65           HB       ILE  65  17.579 -11.954  -2.873
  482   HG12  ILE  65          HG12      ILE  65  14.713 -11.443  -2.071
  483   HG13  ILE  65          HG13      ILE  65  15.741 -10.349  -2.994
  484   HG21  ILE  65          HG21      ILE  65  17.495 -13.891  -1.283
  485   HG22  ILE  65          HG22      ILE  65  15.738 -13.674  -1.196
  486   HG23  ILE  65          HG23      ILE  65  16.503 -14.084  -2.736
  487   HD11  ILE  65          HD11      ILE  65  14.272 -11.527  -4.517
  488   HD12  ILE  65          HD12      ILE  65  15.950 -12.029  -4.800
  489   HD13  ILE  65          HD13      ILE  65  14.823 -13.096  -3.922
  490    H    GLU  66           H        GLU  66  18.599 -12.394   0.820
  491    HA   GLU  66           HA       GLU  66  16.603 -13.646   2.394
  492    HB2  GLU  66           HB2      GLU  66  19.429 -12.998   3.322
  493    HB3  GLU  66           HB3      GLU  66  18.438 -14.399   3.745
  494    HG2  GLU  66           HG2      GLU  66  18.643 -15.126   1.308
  495    HG3  GLU  66           HG3      GLU  66  19.769 -13.778   1.089
  496    H    ASN  67           H        ASN  67  18.164 -10.555   2.410
  497    HA   ASN  67           HA       ASN  67  17.632  -9.757   5.093
  498    HB2  ASN  67           HB2      ASN  67  19.302  -8.762   3.385
  499    HB3  ASN  67           HB3      ASN  67  17.948  -7.769   2.871
  500   HD21  ASN  67          HD22      ASN  67  19.992  -6.308   3.738
  501   HD22  ASN  67          HD21      ASN  67  19.786  -5.780   5.397
  502    H    PHE  68           H        PHE  68  15.417 -10.521   2.820
  503    HA   PHE  68           HA       PHE  68  13.261  -8.779   3.852
  504    HB2  PHE  68           HB2      PHE  68  13.532  -9.524   0.913
  505    HB3  PHE  68           HB3      PHE  68  12.399  -8.398   1.641
  506    HD1  PHE  68           HD1      PHE  68  15.865  -8.972   0.633
  507    HD2  PHE  68           HD2      PHE  68  13.081  -6.080   2.152
  508    HE1  PHE  68           HE1      PHE  68  17.564  -7.178   0.299
  509    HE2  PHE  68           HE2      PHE  68  14.750  -4.263   1.778
  510    HZ   PHE  68           HZ       PHE  68  17.005  -4.817   0.869
  511    H    ASN  69           H        ASN  69  11.169  -9.934   2.452
  512    HA   ASN  69           HA       ASN  69  11.538 -12.779   2.344
  513    HB2  ASN  69           HB2      ASN  69  10.587 -12.208   4.698
  514    HB3  ASN  69           HB3      ASN  69   9.179 -11.559   3.832
  515   HD21  ASN  69          HD22      ASN  69   8.756 -13.527   5.745
  516   HD22  ASN  69          HD21      ASN  69   8.319 -15.018   4.950
  517    H    ALA  70           H        ALA  70   9.925 -13.712   0.811
  518    HA   ALA  70           HA       ALA  70   9.141 -11.668  -1.042
  519    HB1  ALA  70           HB1      ALA  70   8.698 -13.429  -2.556
  520    HB2  ALA  70           HB2      ALA  70  10.039 -14.107  -1.614
  521    HB3  ALA  70           HB3      ALA  70   8.378 -14.595  -1.263
  522    H    ASP  71           H        ASP  71   7.854 -13.715   1.514
  523    HA   ASP  71           HA       ASP  71   5.213 -13.569   0.678
  524    HB2  ASP  71           HB2      ASP  71   5.982 -15.200   2.358
  525    HB3  ASP  71           HB3      ASP  71   6.309 -13.889   3.499
  526    H    ASP  72           H        ASP  72   7.245 -11.137   2.084
  527    HA   ASP  72           HA       ASP  72   5.163  -9.440   3.164
  528    HB2  ASP  72           HB2      ASP  72   7.484  -9.528   4.123
  529    HB3  ASP  72           HB3      ASP  72   8.083  -8.860   2.595
  530    H    TYR  73           H        TYR  73   6.886  -9.986   0.180
  531    HA   TYR  73           HA       TYR  73   6.304  -7.419  -0.994
  532    HB2  TYR  73           HB2      TYR  73   7.804  -9.879  -1.852
  533    HB3  TYR  73           HB3      TYR  73   7.214  -8.801  -3.094
  534    HD1  TYR  73           HD1      TYR  73   8.935  -8.408   0.260
  535    HD2  TYR  73           HD2      TYR  73   8.740  -7.245  -3.897
  536    HE1  TYR  73           HE1      TYR  73  10.837  -6.899   0.610
  537    HE2  TYR  73           HE2      TYR  73  10.673  -5.729  -3.551
  538    HH   TYR  73           HH       TYR  73  12.324  -5.023  -2.071
  539    H    ASP  74           H        ASP  74   5.374  -7.482  -3.334
  540    HA   ASP  74           HA       ASP  74   2.838  -9.077  -3.301
  541    HB2  ASP  74           HB2      ASP  74   2.413  -6.715  -2.771
  542    HB3  ASP  74           HB3      ASP  74   3.247  -6.234  -4.249
  543    H    VAL  75           H        VAL  75   5.381  -7.476  -5.350
  544    HA   VAL  75           HA       VAL  75   4.640  -9.329  -7.536
  545    HB   VAL  75           HB       VAL  75   3.471  -7.485  -8.153
  546   HG11  VAL  75          HG11      VAL  75   4.162  -5.109  -8.067
  547   HG12  VAL  75          HG12      VAL  75   3.816  -5.848  -6.504
  548   HG13  VAL  75          HG13      VAL  75   5.481  -5.609  -7.016
  549   HG21  VAL  75          HG21      VAL  75   6.169  -6.891  -9.407
  550   HG22  VAL  75          HG22      VAL  75   5.063  -8.163  -9.921
  551   HG23  VAL  75          HG23      VAL  75   4.562  -6.466 -10.046
  552    H    VAL  76           H        VAL  76   6.304 -10.178  -8.666
  553    HA   VAL  76           HA       VAL  76   8.984  -8.975  -8.464
  554    HB   VAL  76           HB       VAL  76   8.214 -11.782  -7.682
  555   HG11  VAL  76          HG11      VAL  76  11.020 -10.610  -7.972
  556   HG12  VAL  76          HG12      VAL  76  10.659 -12.162  -7.204
  557   HG13  VAL  76          HG13      VAL  76  10.302 -11.935  -8.913
  558   HG21  VAL  76          HG21      VAL  76   9.016 -11.421  -5.479
  559   HG22  VAL  76          HG22      VAL  76   9.700  -9.822  -5.861
  560   HG23  VAL  76          HG23      VAL  76   7.951 -10.096  -5.792
  561    H    ILE  77           H        ILE  77   9.839  -9.063 -10.489
  562    HA   ILE  77           HA       ILE  77   8.571 -10.828 -12.536
  563    HB   ILE  77           HB       ILE  77  10.462  -8.526 -12.989
  564   HG12  ILE  77          HG12      ILE  77   8.724  -7.375 -11.890
  565   HG13  ILE  77          HG13      ILE  77   8.537  -7.091 -13.610
  566   HG21  ILE  77          HG21      ILE  77   8.420  -9.585 -14.940
  567   HG22  ILE  77          HG22      ILE  77   9.830  -8.543 -15.218
  568   HG23  ILE  77          HG23      ILE  77  10.065 -10.237 -14.819
  569   HD11  ILE  77          HD11      ILE  77   6.554  -8.252 -13.763
  570   HD12  ILE  77          HD12      ILE  77   6.834  -9.192 -12.265
  571   HD13  ILE  77          HD13      ILE  77   6.446  -7.472 -12.185
  572    H    SER  78           H        SER  78   9.840 -12.453 -13.402
  573    HA   SER  78           HA       SER  78  12.706 -12.581 -12.628
  574    HB2  SER  78           HB2      SER  78  10.757 -14.709 -13.577
  575    HB3  SER  78           HB3      SER  78  12.524 -14.920 -13.535
  576    HG   SER  78           HG       SER  78  12.077 -15.577 -11.564
  577    H    LEU  79           H        LEU  79  13.399 -11.077 -14.143
  578    HA   LEU  79           HA       LEU  79  12.260 -10.725 -16.759
  579    HB2  LEU  79           HB2      LEU  79  14.905  -9.969 -15.459
  580    HB3  LEU  79           HB3      LEU  79  14.604  -9.574 -17.145
  581    HG   LEU  79           HG       LEU  79  12.751  -8.669 -14.926
  582   HD11  LEU  79          HD11      LEU  79  15.028  -7.824 -14.541
  583   HD12  LEU  79          HD12      LEU  79  15.113  -7.276 -16.240
  584   HD13  LEU  79          HD13      LEU  79  13.963  -6.528 -15.123
  585   HD21  LEU  79          HD21      LEU  79  11.759  -8.629 -17.209
  586   HD22  LEU  79          HD22      LEU  79  12.046  -6.990 -16.606
  587   HD23  LEU  79          HD23      LEU  79  13.164  -7.705 -17.794
  588    H    CYS  80           H        CYS  80  14.170 -13.280 -15.645
  589    HA   CYS  80           HA       CYS  80  14.720 -14.197 -18.346
  590    HB2  CYS  80           HB2      CYS  80  16.874 -14.094 -16.160
  591    HB3  CYS  80           HB3      CYS  80  17.089 -14.737 -17.781
  592    H    GLY  81           H        GLY  81  14.216 -16.409 -18.332
  593    HA2  GLY  81           HA2      GLY  81  13.591 -18.483 -17.571
  594    HA3  GLY  81           HA3      GLY  81  14.733 -18.236 -16.247
  595    H    SER  82           H        SER  82  13.377 -19.247 -14.704
  596    HA   SER  82           HA       SER  82  11.177 -17.498 -13.721
  597    HB2  SER  82           HB2      SER  82  10.054 -19.589 -12.905
  598    HB3  SER  82           HB3      SER  82  10.044 -19.343 -14.661
  599    HG   SER  82           HG       SER  82  10.611 -21.494 -14.194
  600    H    GLY  83           H        GLY  83  12.359 -20.422 -12.146
  601    HA2  GLY  83           HA2      GLY  83  12.955 -18.967  -9.720
  602    HA3  GLY  83           HA3      GLY  83  13.224 -20.690 -10.029
  603    H    VAL  84           H        VAL  84  14.925 -20.124 -12.422
  604    HA   VAL  84           HA       VAL  84  17.103 -20.176 -12.847
  605    HB   VAL  84           HB       VAL  84  18.311 -18.004 -12.602
  606   HG11  VAL  84          HG11      VAL  84  16.949 -16.947 -14.325
  607   HG12  VAL  84          HG12      VAL  84  16.984 -18.696 -14.585
  608   HG13  VAL  84          HG13      VAL  84  15.541 -17.927 -13.879
  609   HG21  VAL  84          HG21      VAL  84  17.024 -15.976 -12.105
  610   HG22  VAL  84          HG22      VAL  84  15.631 -16.933 -11.590
  611   HG23  VAL  84          HG23      VAL  84  17.135 -16.955 -10.644
  612    H    ASN  85           H        ASN  85  17.859 -18.352  -9.891
  613    HA   ASN  85           HA       ASN  85  18.976 -20.721  -8.582
  614    HB2  ASN  85           HB2      ASN  85  20.832 -19.925 -10.056
  615    HB3  ASN  85           HB3      ASN  85  20.707 -18.319  -9.320
  616   HD21  ASN  85          HD22      ASN  85  22.918 -18.455  -8.615
  617   HD22  ASN  85          HD21      ASN  85  23.390 -19.484  -7.268
  618    H    LEU  86           H        LEU  86  16.696 -19.325  -7.977
  619    HA   LEU  86           HA       LEU  86  17.347 -17.667  -5.625
  620    HB2  LEU  86           HB2      LEU  86  17.205 -16.031  -7.191
  621    HB3  LEU  86           HB3      LEU  86  16.105 -16.877  -8.229
  622    HG   LEU  86           HG       LEU  86  15.055 -15.903  -5.586
  623   HD11  LEU  86          HD11      LEU  86  14.546 -13.698  -6.623
  624   HD12  LEU  86          HD12      LEU  86  16.285 -13.955  -6.472
  625   HD13  LEU  86          HD13      LEU  86  15.496 -14.149  -8.053
  626   HD21  LEU  86          HD21      LEU  86  13.975 -16.219  -8.461
  627   HD22  LEU  86          HD22      LEU  86  13.496 -17.166  -7.048
  628   HD23  LEU  86          HD23      LEU  86  13.049 -15.455  -7.181
  629    HA   PRO  87           HA       PRO  87  14.424 -20.191  -3.824
  630    HB2  PRO  87           HB2      PRO  87  13.420 -17.951  -2.076
  631    HB3  PRO  87           HB3      PRO  87  13.979 -19.581  -1.603
  632    HG2  PRO  87           HG2      PRO  87  15.629 -17.454  -1.336
  633    HG3  PRO  87           HG3      PRO  87  16.258 -19.009  -1.971
  634    HD2  PRO  87           HD2      PRO  87  15.437 -16.539  -3.513
  635    HD3  PRO  87           HD3      PRO  87  16.893 -17.565  -3.680
  636    HA   PRO  88           HA       PRO  88  10.736 -20.042  -5.958
  637    HB2  PRO  88           HB2      PRO  88   9.003 -21.764  -4.666
  638    HB3  PRO  88           HB3      PRO  88  10.472 -22.285  -5.547
  639    HG2  PRO  88           HG2      PRO  88  10.172 -21.758  -2.567
  640    HG3  PRO  88           HG3      PRO  88  10.902 -23.188  -3.367
  641    HD2  PRO  88           HD2      PRO  88  12.447 -21.163  -2.456
  642    HD3  PRO  88           HD3      PRO  88  12.825 -21.959  -4.010
  643    H    GLU  89           H        GLU  89  10.018 -19.106  -2.520
  644    HA   GLU  89           HA       GLU  89   7.382 -18.275  -3.212
  645    HB2  GLU  89           HB2      GLU  89   7.393 -16.966  -1.162
  646    HB3  GLU  89           HB3      GLU  89   7.905 -18.626  -0.906
  647    HG2  GLU  89           HG2      GLU  89  10.033 -16.516  -1.296
  648    HG3  GLU  89           HG3      GLU  89   9.113 -16.527   0.209
  649    H    TRP  90           H        TRP  90  10.368 -16.928  -4.184
  650    HA   TRP  90           HA       TRP  90   9.353 -14.208  -4.521
  651    HB2  TRP  90           HB2      TRP  90  11.837 -15.667  -5.407
  652    HB3  TRP  90           HB3      TRP  90  11.512 -13.995  -5.846
  653    HD1  TRP  90           HD1      TRP  90  12.932 -16.063  -3.070
  654    HE1  TRP  90           HE1      TRP  90  13.491 -14.633  -1.017
  655    HE3  TRP  90           HE3      TRP  90  10.850 -11.714  -4.594
  656    HZ2  TRP  90           HZ2      TRP  90  12.845 -11.935  -0.058
  657    HZ3  TRP  90           HZ3      TRP  90  10.627  -9.778  -3.061
  658    HH2  TRP  90           HH2      TRP  90  11.624  -9.870  -0.806
  659    H    VAL  91           H        VAL  91   9.240 -17.203  -6.382
  660    HA   VAL  91           HA       VAL  91   8.230 -15.697  -8.683
  661    HB   VAL  91           HB       VAL  91   8.671 -17.746  -9.954
  662   HG11  VAL  91          HG11      VAL  91  10.263 -15.834  -9.804
  663   HG12  VAL  91          HG12      VAL  91  11.121 -16.666  -8.493
  664   HG13  VAL  91          HG13      VAL  91  11.063 -17.389 -10.108
  665   HG21  VAL  91          HG21      VAL  91  10.075 -19.521  -9.146
  666   HG22  VAL  91          HG22      VAL  91  10.260 -18.738  -7.574
  667   HG23  VAL  91          HG23      VAL  91   8.679 -19.409  -8.057
  668    H    THR  92           H        THR  92   7.021 -17.407  -6.023
  669    HA   THR  92           HA       THR  92   4.434 -17.479  -7.511
  670    HB   THR  92           HB       THR  92   5.034 -19.688  -6.856
  671    HG1  THR  92           HG1      THR  92   3.148 -20.225  -5.888
  672   HG21  THR  92          HG21      THR  92   6.516 -19.425  -5.024
  673   HG22  THR  92          HG22      THR  92   5.274 -18.699  -3.993
  674   HG23  THR  92          HG23      THR  92   5.171 -20.411  -4.476
  675    H    GLN  93           H        GLN  93   4.584 -15.259  -7.368
  676    HA   GLN  93           HA       GLN  93   3.801 -14.026  -4.810
  677    HB2  GLN  93           HB2      GLN  93   5.057 -12.962  -7.366
  678    HB3  GLN  93           HB3      GLN  93   4.389 -11.888  -6.148
  679    HG2  GLN  93           HG2      GLN  93   6.545 -13.959  -5.517
  680    HG3  GLN  93           HG3      GLN  93   6.869 -12.307  -5.996
  681   HE21  GLN  93          HE22      GLN  93   6.302 -14.288  -3.257
  682   HE22  GLN  93          HE21      GLN  93   5.999 -12.969  -2.123
  683    H    GLU  94           H        GLU  94   2.201 -11.990  -5.487
  684    HA   GLU  94           HA       GLU  94  -0.202 -13.276  -6.340
  685    HB2  GLU  94           HB2      GLU  94   0.449 -10.320  -5.983
  686    HB3  GLU  94           HB3      GLU  94  -1.161 -10.960  -6.261
  687    HG2  GLU  94           HG2      GLU  94   0.598 -11.588  -3.850
  688    HG3  GLU  94           HG3      GLU  94  -0.779 -10.499  -3.878
  689    H    ILE  95           H        ILE  95   2.326 -11.605  -8.075
  690    HA   ILE  95           HA       ILE  95   1.100 -12.465 -10.584
  691    HB   ILE  95           HB       ILE  95   0.414 -10.208 -10.663
  692   HG12  ILE  95          HG12      ILE  95   3.034 -10.165 -12.197
  693   HG13  ILE  95          HG13      ILE  95   1.666 -11.166 -12.682
  694   HG21  ILE  95          HG21      ILE  95   2.034  -8.276 -10.334
  695   HG22  ILE  95          HG22      ILE  95   1.647  -9.168  -8.867
  696   HG23  ILE  95          HG23      ILE  95   3.193  -9.441  -9.694
  697   HD11  ILE  95          HD11      ILE  95   1.572  -8.122 -12.470
  698   HD12  ILE  95          HD12      ILE  95   1.744  -9.048 -13.954
  699   HD13  ILE  95          HD13      ILE  95   0.255  -9.181 -12.996
  700    H    PHE  96           H        PHE  96   2.611 -13.551 -11.723
  701    HA   PHE  96           HA       PHE  96   5.497 -13.197 -11.078
  702    HB2  PHE  96           HB2      PHE  96   5.059 -15.376 -10.420
  703    HB3  PHE  96           HB3      PHE  96   3.952 -15.690 -11.763
  704    HD1  PHE  96           HD1      PHE  96   7.547 -15.149 -10.885
  705    HD2  PHE  96           HD2      PHE  96   4.753 -16.466 -13.897
  706    HE1  PHE  96           HE1      PHE  96   9.422 -16.014 -12.256
  707    HE2  PHE  96           HE2      PHE  96   6.640 -17.285 -15.284
  708    HZ   PHE  96           HZ       PHE  96   8.978 -17.041 -14.482
  709    H    GLU  97           H        GLU  97   6.710 -12.642 -12.964
  710    HA   GLU  97           HA       GLU  97   5.497 -12.820 -15.634
  711    HB2  GLU  97           HB2      GLU  97   6.319 -10.281 -14.262
  712    HB3  GLU  97           HB3      GLU  97   6.302 -10.383 -16.014
  713    HG2  GLU  97           HG2      GLU  97   3.840 -10.836 -14.293
  714    HG3  GLU  97           HG3      GLU  97   4.324  -9.279 -14.921
  715    H    ASP  98           H        ASP  98   7.152 -12.040 -17.249
  716    HA   ASP  98           HA       ASP  98   9.873 -12.468 -16.925
  717    HB2  ASP  98           HB2      ASP  98   9.542 -14.785 -16.300
  718    HB3  ASP  98           HB3      ASP  98   8.201 -14.966 -17.421
  719    H    TRP  99           H        TRP  99  10.786 -11.882 -18.888
  720    HA   TRP  99           HA       TRP  99   9.042 -11.797 -21.273
  721    HB2  TRP  99           HB2      TRP  99  10.190  -9.288 -19.995
  722    HB3  TRP  99           HB3      TRP  99   9.351  -9.360 -21.548
  723    HD1  TRP  99           HD1      TRP  99   6.668 -10.703 -20.981
  724    HE1  TRP  99           HE1      TRP  99   4.969  -9.848 -19.264
  725    HE3  TRP  99           HE3      TRP  99   9.775  -7.815 -18.140
  726    HZ2  TRP  99           HZ2      TRP  99   4.915  -7.972 -17.062
  727    HZ3  TRP  99           HZ3      TRP  99   8.898  -6.668 -16.151
  728    HH2  TRP  99           HH2      TRP  99   6.492  -6.683 -15.618
  729    H    GLN 100           H        GLN 100  10.115 -11.306 -23.213
  730    HA   GLN 100           HA       GLN 100  13.017 -11.832 -23.200
  731    HB2  GLN 100           HB2      GLN 100  11.013 -11.680 -25.497
  732    HB3  GLN 100           HB3      GLN 100  12.733 -12.040 -25.641
  733    HG2  GLN 100           HG2      GLN 100  11.750 -14.139 -25.724
  734    HG3  GLN 100           HG3      GLN 100  12.378 -14.026 -24.085
  735   HE21  GLN 100          HE22      GLN 100   9.349 -13.615 -26.042
  736   HE22  GLN 100          HE21      GLN 100   8.260 -14.094 -24.762
  737    H    LEU 101           H        LEU 101  12.784  -9.576 -21.954
  738    HA   LEU 101           HA       LEU 101  12.966  -7.209 -23.706
  739    HB2  LEU 101           HB2      LEU 101  13.278  -7.834 -20.777
  740    HB3  LEU 101           HB3      LEU 101  14.311  -6.560 -21.382
  741    HG   LEU 101           HG       LEU 101  12.597  -5.095 -21.853
  742   HD11  LEU 101          HD11      LEU 101  11.037  -6.410 -23.171
  743   HD12  LEU 101          HD12      LEU 101  10.579  -7.346 -21.727
  744   HD13  LEU 101          HD13      LEU 101  10.204  -5.600 -21.848
  745   HD21  LEU 101          HD21      LEU 101  11.289  -4.973 -19.775
  746   HD22  LEU 101          HD22      LEU 101  11.544  -6.697 -19.474
  747   HD23  LEU 101          HD23      LEU 101  12.919  -5.577 -19.392
  748    H    GLU 102           H        GLU 102  14.809  -6.547 -24.734
  749    HA   GLU 102           HA       GLU 102  17.095  -8.303 -24.649
  750    HB2  GLU 102           HB2      GLU 102  17.883  -7.208 -26.608
  751    HB3  GLU 102           HB3      GLU 102  16.207  -7.723 -26.766
  752    HG2  GLU 102           HG2      GLU 102  15.658  -5.266 -26.015
  753    HG3  GLU 102           HG3      GLU 102  17.321  -4.953 -26.528
  754    H    ASP 103           H        ASP 103  19.361  -6.987 -24.764
  755    HA   ASP 103           HA       ASP 103  19.469  -5.297 -22.372
  756    HB2  ASP 103           HB2      ASP 103  20.101  -7.251 -21.361
  757    HB3  ASP 103           HB3      ASP 103  20.567  -8.023 -22.873
  758    HA   PRO 104           HA       PRO 104  22.224  -3.260 -25.220
  759    HB2  PRO 104           HB2      PRO 104  22.317  -0.868 -24.127
  760    HB3  PRO 104           HB3      PRO 104  20.731  -1.570 -24.555
  761    HG2  PRO 104           HG2      PRO 104  22.055  -1.548 -21.813
  762    HG3  PRO 104           HG3      PRO 104  20.381  -1.052 -22.236
  763    HD2  PRO 104           HD2      PRO 104  21.120  -3.590 -21.345
  764    HD3  PRO 104           HD3      PRO 104  19.688  -3.251 -22.349
  765    H    ASP 105           H        ASP 105  23.393  -4.589 -22.312
  766    HA   ASP 105           HA       ASP 105  25.515  -3.056 -21.478
  767    HB2  ASP 105           HB2      ASP 105  25.010  -5.032 -20.276
  768    HB3  ASP 105           HB3      ASP 105  25.271  -6.056 -21.698
  769    H    GLY 106           H        GLY 106  27.197  -2.177 -22.668
  770    HA2  GLY 106           HA2      GLY 106  29.022  -2.009 -24.022
  771    HA3  GLY 106           HA3      GLY 106  29.042  -3.774 -24.124
  772    H    GLN 107           H        GLN 107  26.025  -2.595 -25.239
  773    HA   GLN 107           HA       GLN 107  26.787  -3.105 -28.043
  774    HB2  GLN 107           HB2      GLN 107  24.030  -2.608 -26.877
  775    HB3  GLN 107           HB3      GLN 107  24.424  -3.193 -28.486
  776    HG2  GLN 107           HG2      GLN 107  25.655  -5.075 -26.782
  777    HG3  GLN 107           HG3      GLN 107  24.155  -4.653 -25.958
  778   HE21  GLN 107          HE22      GLN 107  22.494  -6.080 -26.439
  779   HE22  GLN 107          HE21      GLN 107  22.323  -6.895 -27.983
  780    H    SER 108           H        SER 108  25.627  -1.596 -29.682
  781    HA   SER 108           HA       SER 108  26.532   1.080 -29.319
  782    HB2  SER 108           HB2      SER 108  24.649  -0.066 -31.425
  783    HB3  SER 108           HB3      SER 108  25.613   1.419 -31.558
  784    HG   SER 108           HG       SER 108  26.649  -0.342 -32.602
  785    H    LEU 109           H        LEU 109  25.120   3.043 -29.544
  786    HA   LEU 109           HA       LEU 109  23.291   3.102 -27.384
  787    HB2  LEU 109           HB2      LEU 109  23.609   5.180 -29.577
  788    HB3  LEU 109           HB3      LEU 109  22.824   5.400 -28.017
  789    HG   LEU 109           HG       LEU 109  25.785   4.995 -28.568
  790   HD11  LEU 109          HD11      LEU 109  24.243   7.199 -27.139
  791   HD12  LEU 109          HD12      LEU 109  25.987   7.177 -27.469
  792   HD13  LEU 109          HD13      LEU 109  24.838   7.271 -28.816
  793   HD21  LEU 109          HD21      LEU 109  24.395   4.892 -25.860
  794   HD22  LEU 109          HD22      LEU 109  25.422   3.644 -26.599
  795   HD23  LEU 109          HD23      LEU 109  26.136   5.166 -26.084
  796    H    GLU 110           H        GLU 110  22.620   2.493 -30.781
  797    HA   GLU 110           HA       GLU 110  19.832   2.910 -30.792
  798    HB2  GLU 110           HB2      GLU 110  19.812   0.948 -32.417
  799    HB3  GLU 110           HB3      GLU 110  20.804   2.352 -32.851
  800    HG2  GLU 110           HG2      GLU 110  22.829   1.128 -32.147
  801    HG3  GLU 110           HG3      GLU 110  21.839  -0.259 -31.688
  802    H    VAL 111           H        VAL 111  21.697   0.274 -29.306
  803    HA   VAL 111           HA       VAL 111  19.327  -1.304 -28.774
  804    HB   VAL 111           HB       VAL 111  22.071  -1.667 -27.584
  805   HG11  VAL 111          HG11      VAL 111  21.437  -3.990 -27.375
  806   HG12  VAL 111          HG12      VAL 111  20.198  -3.011 -26.582
  807   HG13  VAL 111          HG13      VAL 111  19.883  -3.689 -28.191
  808   HG21  VAL 111          HG21      VAL 111  22.489  -1.640 -29.953
  809   HG22  VAL 111          HG22      VAL 111  22.332  -3.349 -29.542
  810   HG23  VAL 111          HG23      VAL 111  20.978  -2.499 -30.309
  811    H    PHE 112           H        PHE 112  21.436   0.912 -26.821
  812    HA   PHE 112           HA       PHE 112  19.933   0.685 -24.395
  813    HB2  PHE 112           HB2      PHE 112  21.519   2.978 -25.628
  814    HB3  PHE 112           HB3      PHE 112  20.714   3.108 -24.075
  815    HD1  PHE 112           HD2      PHE 112  21.355   1.676 -22.147
  816    HD2  PHE 112           HD1      PHE 112  23.674   1.745 -25.785
  817    HE1  PHE 112           HE2      PHE 112  23.250   0.535 -20.993
  818    HE2  PHE 112           HE1      PHE 112  25.560   0.701 -24.603
  819    HZ   PHE 112           HZ       PHE 112  25.349   0.059 -22.216
  820    H    ARG 113           H        ARG 113  19.429   2.830 -27.238
  821    HA   ARG 113           HA       ARG 113  17.108   4.159 -26.208
  822    HB2  ARG 113           HB2      ARG 113  18.072   3.578 -29.047
  823    HB3  ARG 113           HB3      ARG 113  16.710   4.643 -28.686
  824    HG2  ARG 113           HG2      ARG 113  18.047   6.259 -27.624
  825    HG3  ARG 113           HG3      ARG 113  19.400   5.150 -27.369
  826    HD2  ARG 113           HD2      ARG 113  19.851   5.085 -29.781
  827    HD3  ARG 113           HD3      ARG 113  18.496   6.206 -30.076
  828    HE   ARG 113           HE       ARG 113  20.202   7.403 -28.175
  829   HH11  ARG 113          HH11      ARG 113  20.320   6.511 -31.620
  830   HH12  ARG 113          HH12      ARG 113  21.494   7.708 -32.030
  831   HH21  ARG 113          HH21      ARG 113  21.741   9.020 -28.732
  832   HH22  ARG 113          HH22      ARG 113  22.306   9.175 -30.352
  833    H    THR 114           H        THR 114  17.387   1.176 -28.240
  834    HA   THR 114           HA       THR 114  14.633   0.652 -28.501
  835    HB   THR 114           HB       THR 114  17.233  -0.910 -28.556
  836    HG1  THR 114           HG1      THR 114  16.991   0.282 -30.336
  837   HG21  THR 114          HG21      THR 114  16.021  -2.798 -29.566
  838   HG22  THR 114          HG22      THR 114  15.745  -2.563 -27.836
  839   HG23  THR 114          HG23      THR 114  14.481  -2.064 -28.993
  840    H    VAL 115           H        VAL 115  17.022  -0.407 -25.984
  841    HA   VAL 115           HA       VAL 115  15.141  -2.074 -24.690
  842    HB   VAL 115           HB       VAL 115  17.805  -0.920 -23.803
  843   HG11  VAL 115          HG11      VAL 115  16.066  -2.986 -22.371
  844   HG12  VAL 115          HG12      VAL 115  17.744  -2.621 -21.964
  845   HG13  VAL 115          HG13      VAL 115  16.523  -1.375 -21.751
  846   HG21  VAL 115          HG21      VAL 115  16.933  -3.739 -24.558
  847   HG22  VAL 115          HG22      VAL 115  17.729  -2.649 -25.695
  848   HG23  VAL 115          HG23      VAL 115  18.592  -3.199 -24.261
  849    H    ARG 116           H        ARG 116  16.007   1.367 -24.135
  850    HA   ARG 116           HA       ARG 116  14.356   1.646 -21.847
  851    HB2  ARG 116           HB2      ARG 116  15.110   3.654 -24.023
  852    HB3  ARG 116           HB3      ARG 116  14.115   4.080 -22.617
  853    HG2  ARG 116           HG2      ARG 116  15.932   3.209 -21.119
  854    HG3  ARG 116           HG3      ARG 116  16.975   3.015 -22.524
  855    HD2  ARG 116           HD2      ARG 116  15.680   5.652 -21.705
  856    HD3  ARG 116           HD3      ARG 116  17.268   5.139 -21.165
  857    HE   ARG 116           HE       ARG 116  18.169   5.342 -23.301
  858   HH11  ARG 116          HH11      ARG 116  14.753   6.382 -23.443
  859   HH12  ARG 116          HH12      ARG 116  15.030   7.527 -24.700
  860   HH21  ARG 116          HH21      ARG 116  18.521   6.955 -24.904
  861   HH22  ARG 116          HH22      ARG 116  17.185   7.828 -25.556
  862    H    GLY 117           H        GLY 117  13.457   1.837 -25.340
  863    HA2  GLY 117           HA2      GLY 117  10.707   2.438 -24.986
  864    HA3  GLY 117           HA3      GLY 117  11.423   1.618 -26.379
  865    H    GLN 118           H        GLN 118  12.263  -0.771 -25.559
  866    HA   GLN 118           HA       GLN 118  10.042  -2.469 -25.317
  867    HB2  GLN 118           HB2      GLN 118  12.968  -2.779 -24.537
  868    HB3  GLN 118           HB3      GLN 118  11.840  -4.099 -24.318
  869    HG2  GLN 118           HG2      GLN 118  12.032  -2.838 -27.061
  870    HG3  GLN 118           HG3      GLN 118  13.340  -3.863 -26.482
  871   HE21  GLN 118          HE22      GLN 118  12.990  -5.530 -28.006
  872   HE22  GLN 118          HE21      GLN 118  11.567  -6.560 -27.957
  873    H    VAL 119           H        VAL 119  12.256  -1.379 -22.782
  874    HA   VAL 119           HA       VAL 119  10.963  -2.832 -20.689
  875    HB   VAL 119           HB       VAL 119  12.905  -0.491 -20.636
  876   HG11  VAL 119          HG11      VAL 119  13.386  -1.143 -18.330
  877   HG12  VAL 119          HG12      VAL 119  11.698  -0.645 -18.458
  878   HG13  VAL 119          HG13      VAL 119  12.089  -2.374 -18.386
  879   HG21  VAL 119          HG21      VAL 119  13.464  -3.424 -19.997
  880   HG22  VAL 119          HG22      VAL 119  13.634  -2.802 -21.642
  881   HG23  VAL 119          HG23      VAL 119  14.615  -2.127 -20.346
  882    H    LYS 120           H        LYS 120  10.719   0.691 -21.607
  883    HA   LYS 120           HA       LYS 120   9.134   1.488 -19.446
  884    HB2  LYS 120           HB2      LYS 120  10.127   2.981 -21.204
  885    HB3  LYS 120           HB3      LYS 120   8.915   2.388 -22.366
  886    HG2  LYS 120           HG2      LYS 120   7.112   3.339 -21.000
  887    HG3  LYS 120           HG3      LYS 120   8.274   3.846 -19.757
  888    HD2  LYS 120           HD2      LYS 120   9.383   5.350 -21.341
  889    HD3  LYS 120           HD3      LYS 120   8.339   4.820 -22.659
  890    HE2  LYS 120           HE2      LYS 120   7.311   6.173 -20.113
  891    HE3  LYS 120           HE3      LYS 120   7.778   7.062 -21.562
  892    HZ1  LYS 120           HZ1      LYS 120   5.421   6.687 -21.565
  893    HZ2  LYS 120           HZ2      LYS 120   6.061   5.842 -22.801
  894    HZ3  LYS 120           HZ3      LYS 120   5.568   5.065 -21.436
  895    H    GLU 121           H        GLU 121   8.075   0.168 -22.614
  896    HA   GLU 121           HA       GLU 121   5.316   0.415 -22.126
  897    HB2  GLU 121           HB2      GLU 121   6.378   0.222 -24.304
  898    HB3  GLU 121           HB3      GLU 121   6.919  -1.426 -23.949
  899    HG2  GLU 121           HG2      GLU 121   4.611  -2.225 -23.837
  900    HG3  GLU 121           HG3      GLU 121   3.992  -0.579 -24.046
  901    H    ARG 122           H        ARG 122   7.517  -2.415 -21.560
  902    HA   ARG 122           HA       ARG 122   5.288  -4.066 -20.676
  903    HB2  ARG 122           HB2      ARG 122   8.243  -4.592 -20.391
  904    HB3  ARG 122           HB3      ARG 122   6.903  -5.728 -20.082
  905    HG2  ARG 122           HG2      ARG 122   6.101  -5.054 -22.523
  906    HG3  ARG 122           HG3      ARG 122   7.750  -4.474 -22.713
  907    HD2  ARG 122           HD2      ARG 122   8.299  -6.917 -21.753
  908    HD3  ARG 122           HD3      ARG 122   6.668  -7.219 -22.385
  909    HE   ARG 122           HE       ARG 122   8.639  -5.811 -24.124
  910   HH11  ARG 122          HH11      ARG 122   6.907  -8.873 -23.582
  911   HH12  ARG 122          HH12      ARG 122   7.324  -9.523 -25.126
  912   HH21  ARG 122          HH21      ARG 122   9.238  -6.670 -26.107
  913   HH22  ARG 122          HH22      ARG 122   8.671  -8.233 -26.610
  914    H    VAL 123           H        VAL 123   7.639  -2.005 -18.965
  915    HA   VAL 123           HA       VAL 123   6.761  -2.821 -16.342
  916    HB   VAL 123           HB       VAL 123   8.118  -0.300 -17.216
  917   HG11  VAL 123          HG11      VAL 123   7.830  -1.484 -14.427
  918   HG12  VAL 123          HG12      VAL 123   8.835  -0.083 -14.874
  919   HG13  VAL 123          HG13      VAL 123   7.069   0.004 -15.008
  920   HG21  VAL 123          HG21      VAL 123   9.456  -2.471 -17.588
  921   HG22  VAL 123          HG22      VAL 123  10.199  -1.287 -16.508
  922   HG23  VAL 123          HG23      VAL 123   9.379  -2.713 -15.838
  923    H    GLU 124           H        GLU 124   5.660  -0.210 -18.643
  924    HA   GLU 124           HA       GLU 124   3.656   0.818 -16.928
  925    HB2  GLU 124           HB2      GLU 124   3.936   0.681 -19.954
  926    HB3  GLU 124           HB3      GLU 124   2.429   1.232 -19.217
  927    HG2  GLU 124           HG2      GLU 124   3.730   2.957 -17.943
  928    HG3  GLU 124           HG3      GLU 124   5.154   2.512 -18.889
  929    H    ASN 125           H        ASN 125   3.549  -1.914 -19.198
  930    HA   ASN 125           HA       ASN 125   0.807  -2.511 -18.850
  931    HB2  ASN 125           HB2      ASN 125   2.168  -3.434 -20.689
  932    HB3  ASN 125           HB3      ASN 125   3.112  -4.383 -19.536
  933   HD21  ASN 125          HD22      ASN 125  -0.216  -3.982 -20.875
  934   HD22  ASN 125          HD21      ASN 125  -0.716  -5.609 -20.508
  935    H    LEU 126           H        LEU 126   3.650  -3.804 -17.058
  936    HA   LEU 126           HA       LEU 126   2.338  -5.537 -15.289
  937    HB2  LEU 126           HB2      LEU 126   4.692  -5.441 -15.712
  938    HB3  LEU 126           HB3      LEU 126   4.844  -3.836 -15.038
  939    HG   LEU 126           HG       LEU 126   5.604  -5.871 -13.715
  940   HD11  LEU 126          HD11      LEU 126   3.859  -3.894 -12.223
  941   HD12  LEU 126          HD12      LEU 126   5.243  -4.818 -11.590
  942   HD13  LEU 126          HD13      LEU 126   5.510  -3.577 -12.809
  943   HD21  LEU 126          HD21      LEU 126   3.562  -7.222 -13.982
  944   HD22  LEU 126          HD22      LEU 126   4.083  -7.048 -12.301
  945   HD23  LEU 126          HD23      LEU 126   2.713  -6.099 -12.887
  946    H    ILE 127           H        ILE 127   3.066  -2.005 -14.941
  947    HA   ILE 127           HA       ILE 127   1.928  -1.706 -12.304
  948    HB   ILE 127           HB       ILE 127   2.619   0.152 -14.622
  949   HG12  ILE 127          HG12      ILE 127   3.927  -0.426 -11.928
  950   HG13  ILE 127          HG13      ILE 127   4.449  -1.190 -13.405
  951   HG21  ILE 127          HG21      ILE 127   2.413   2.023 -13.031
  952   HG22  ILE 127          HG22      ILE 127   0.868   1.221 -13.252
  953   HG23  ILE 127          HG23      ILE 127   1.807   0.907 -11.780
  954   HD11  ILE 127          HD11      ILE 127   4.607   1.760 -12.801
  955   HD12  ILE 127          HD12      ILE 127   5.940   0.604 -12.940
  956   HD13  ILE 127          HD13      ILE 127   4.965   1.019 -14.381
  957    H    ALA 128           H        ALA 128   0.613  -1.102 -15.638
  958    HA   ALA 128           HA       ALA 128  -1.967  -0.349 -14.841
  959    HB1  ALA 128           HB1      ALA 128  -1.041  -0.119 -17.136
  960    HB2  ALA 128           HB2      ALA 128  -1.148  -1.883 -17.348
  961    HB3  ALA 128           HB3      ALA 128  -2.623  -0.928 -17.129
  962    H    LYS 129           H        LYS 129  -0.594  -3.661 -15.048
  963    HA   LYS 129           HA       LYS 129  -3.109  -4.993 -14.658
  964    HB2  LYS 129           HB2      LYS 129  -0.232  -5.856 -14.251
  965    HB3  LYS 129           HB3      LYS 129  -1.586  -6.894 -13.820
  966    HG2  LYS 129           HG2      LYS 129  -2.339  -7.100 -16.039
  967    HG3  LYS 129           HG3      LYS 129  -1.386  -5.718 -16.605
  968    HD2  LYS 129           HD2      LYS 129   0.680  -6.899 -16.375
  969    HD3  LYS 129           HD3      LYS 129  -0.091  -8.262 -15.526
  970    HE2  LYS 129           HE2      LYS 129  -1.236  -8.991 -17.473
  971    HE3  LYS 129           HE3      LYS 129  -0.969  -7.450 -18.313
  972    HZ1  LYS 129           HZ1      LYS 129   1.272  -7.949 -18.642
  973    HZ2  LYS 129           HZ2      LYS 129   1.298  -9.238 -17.617
  974    HZ3  LYS 129           HZ3      LYS 129   0.488  -9.332 -19.051
  975    H    ILE 130           H        ILE 130  -0.437  -4.189 -12.356
  976    HA   ILE 130           HA       ILE 130  -2.007  -5.226 -10.237
  977    HB   ILE 130           HB       ILE 130  -0.181  -4.649  -8.798
  978   HG12  ILE 130          HG12      ILE 130   0.986  -3.245 -11.206
  979   HG13  ILE 130          HG13      ILE 130   0.564  -2.527  -9.659
  980   HG21  ILE 130          HG21      ILE 130   1.363  -6.222  -9.714
  981   HG22  ILE 130          HG22      ILE 130  -0.244  -6.720 -10.241
  982   HG23  ILE 130          HG23      ILE 130   0.844  -5.890 -11.381
  983   HD11  ILE 130          HD11      ILE 130   2.961  -2.790  -9.892
  984   HD12  ILE 130          HD12      ILE 130   2.355  -3.812  -8.565
  985   HD13  ILE 130          HD13      ILE 130   2.800  -4.522 -10.147
  986    H    SER 131           H        SER 131  -1.449  -1.877 -11.241
  987    HA   SER 131           HA       SER 131  -2.637  -0.848  -8.804
  988    HB2  SER 131           HB2      SER 131  -0.945   0.385 -10.978
  989    HB3  SER 131           HB3      SER 131  -1.657   1.277  -9.614
  990    HG   SER 131           HG       SER 131   0.531   0.487  -9.212
  Start of MODEL   10
    1    H    MET   1           H        MET   1   2.896  -0.901   1.701
    2    HA   MET   1           HA       MET   1   1.201  -0.235  -0.616
    3    HB2  MET   1           HB2      MET   1   2.801   1.291  -1.436
    4    HB3  MET   1           HB3      MET   1   2.572   1.701   0.246
    5    HG2  MET   1           HG2      MET   1   4.721   0.214   0.622
    6    HG3  MET   1           HG3      MET   1   4.962   0.454  -1.114
    7    HE1  MET   1           HE1      MET   1   6.009   2.657  -2.144
    8    HE2  MET   1           HE2      MET   1   4.349   3.286  -1.918
    9    HE3  MET   1           HE3      MET   1   5.752   4.249  -1.407
   10    H    LYS   2           H        LYS   2   2.056  -0.996  -2.749
   11    HA   LYS   2           HA       LYS   2   2.723  -3.821  -2.488
   12    HB2  LYS   2           HB2      LYS   2   2.816  -2.364  -5.130
   13    HB3  LYS   2           HB3      LYS   2   2.369  -4.010  -4.804
   14    HG2  LYS   2           HG2      LYS   2   0.259  -3.269  -3.712
   15    HG3  LYS   2           HG3      LYS   2   0.706  -1.580  -4.001
   16    HD2  LYS   2           HD2      LYS   2   0.885  -2.233  -6.498
   17    HD3  LYS   2           HD3      LYS   2  -0.062  -3.658  -6.060
   18    HE2  LYS   2           HE2      LYS   2  -0.865  -0.761  -5.444
   19    HE3  LYS   2           HE3      LYS   2  -1.315  -1.586  -6.922
   20    HZ1  LYS   2           HZ1      LYS   2  -3.090  -1.732  -5.297
   21    HZ2  LYS   2           HZ2      LYS   2  -2.534  -3.236  -5.582
   22    HZ3  LYS   2           HZ3      LYS   2  -2.137  -2.456  -4.190
   23    H    LYS   3           H        LYS   3   4.803  -4.731  -2.458
   24    HA   LYS   3           HA       LYS   3   7.027  -2.916  -3.298
   25    HB2  LYS   3           HB2      LYS   3   7.469  -5.567  -1.940
   26    HB3  LYS   3           HB3      LYS   3   8.578  -4.199  -2.151
   27    HG2  LYS   3           HG2      LYS   3   7.098  -2.858  -0.596
   28    HG3  LYS   3           HG3      LYS   3   6.131  -4.321  -0.328
   29    HD2  LYS   3           HD2      LYS   3   8.155  -5.511   0.499
   30    HD3  LYS   3           HD3      LYS   3   9.113  -4.024   0.270
   31    HE2  LYS   3           HE2      LYS   3   7.593  -2.815   1.814
   32    HE3  LYS   3           HE3      LYS   3   6.635  -4.291   2.028
   33    HZ1  LYS   3           HZ1      LYS   3   8.661  -5.355   2.942
   34    HZ2  LYS   3           HZ2      LYS   3   9.464  -3.921   2.868
   35    HZ3  LYS   3           HZ3      LYS   3   8.168  -4.078   3.854
   36    H    VAL   4           H        VAL   4   8.162  -3.305  -5.002
   37    HA   VAL   4           HA       VAL   4   7.271  -5.412  -6.869
   38    HB   VAL   4           HB       VAL   4   8.565  -2.760  -7.459
   39   HG11  VAL   4          HG11      VAL   4   7.576  -3.005  -9.700
   40   HG12  VAL   4          HG12      VAL   4   8.605  -4.404  -9.333
   41   HG13  VAL   4          HG13      VAL   4   6.840  -4.534  -9.232
   42   HG21  VAL   4          HG21      VAL   4   6.563  -1.676  -7.872
   43   HG22  VAL   4          HG22      VAL   4   5.576  -3.148  -7.759
   44   HG23  VAL   4          HG23      VAL   4   6.269  -2.419  -6.303
   45    H    MET   5           H        MET   5   8.903  -6.456  -8.022
   46    HA   MET   5           HA       MET   5  11.763  -5.826  -7.603
   47    HB2  MET   5           HB2      MET   5  11.129  -7.483  -5.899
   48    HB3  MET   5           HB3      MET   5  10.400  -8.509  -7.146
   49    HG2  MET   5           HG2      MET   5  12.534  -8.970  -8.138
   50    HG3  MET   5           HG3      MET   5  13.347  -7.821  -7.073
   51    HE1  MET   5           HE1      MET   5  13.339  -9.592  -3.606
   52    HE2  MET   5           HE2      MET   5  13.798  -8.148  -4.541
   53    HE3  MET   5           HE3      MET   5  12.096  -8.452  -4.139
   54    H    PHE   6           H        PHE   6  13.010  -6.284  -9.471
   55    HA   PHE   6           HA       PHE   6  11.693  -7.780 -11.666
   56    HB2  PHE   6           HB2      PHE   6  13.335  -5.232 -12.060
   57    HB3  PHE   6           HB3      PHE   6  12.597  -6.228 -13.287
   58    HD1  PHE   6           HD2      PHE   6  11.842  -3.922 -10.439
   59    HD2  PHE   6           HD1      PHE   6  10.447  -5.721 -14.109
   60    HE1  PHE   6           HE2      PHE   6   9.876  -2.453 -10.420
   61    HE2  PHE   6           HE1      PHE   6   8.512  -4.171 -14.124
   62    HZ   PHE   6           HZ       PHE   6   8.204  -2.552 -12.259
   63    H    VAL   7           H        VAL   7  12.983  -9.634 -11.581
   64    HA   VAL   7           HA       VAL   7  15.930  -9.186 -11.311
   65    HB   VAL   7           HB       VAL   7  14.013 -10.729  -9.569
   66   HG11  VAL   7          HG11      VAL   7  17.000 -11.309  -9.767
   67   HG12  VAL   7          HG12      VAL   7  15.925 -11.866  -8.466
   68   HG13  VAL   7          HG13      VAL   7  15.674 -12.445 -10.108
   69   HG21  VAL   7          HG21      VAL   7  14.709  -8.448  -8.901
   70   HG22  VAL   7          HG22      VAL   7  15.292  -9.665  -7.768
   71   HG23  VAL   7          HG23      VAL   7  16.410  -8.938  -8.955
   72    H    CYS   8           H        CYS   8  17.203 -10.441 -12.414
   73    HA   CYS   8           HA       CYS   8  16.221 -12.885 -13.781
   74    HB2  CYS   8           HB2      CYS   8  16.447 -11.115 -15.476
   75    HB3  CYS   8           HB3      CYS   8  18.048 -10.711 -14.897
   76    H    LYS   9           H        LYS   9  18.823 -13.878 -14.396
   77    HA   LYS   9           HA       LYS   9  19.425 -14.954 -11.867
   78    HB2  LYS   9           HB2      LYS   9  21.065 -14.992 -14.438
   79    HB3  LYS   9           HB3      LYS   9  21.506 -15.875 -12.969
   80    HG2  LYS   9           HG2      LYS   9  19.341 -17.094 -13.023
   81    HG3  LYS   9           HG3      LYS   9  18.867 -16.207 -14.471
   82    HD2  LYS   9           HD2      LYS   9  19.624 -18.389 -15.130
   83    HD3  LYS   9           HD3      LYS   9  20.787 -17.189 -15.714
   84    HE2  LYS   9           HE2      LYS   9  22.296 -17.726 -13.796
   85    HE3  LYS   9           HE3      LYS   9  21.115 -18.898 -13.196
   86    HZ1  LYS   9           HZ1      LYS   9  22.885 -19.958 -14.469
   87    HZ2  LYS   9           HZ2      LYS   9  21.465 -20.186 -15.236
   88    HZ3  LYS   9           HZ3      LYS   9  22.541 -19.087 -15.801
   89    H    ARG  10           H        ARG  10  21.732 -12.785 -13.670
   90    HA   ARG  10           HA       ARG  10  22.746 -11.984 -10.972
   91    HB2  ARG  10           HB2      ARG  10  24.288 -13.350 -12.341
   92    HB3  ARG  10           HB3      ARG  10  24.289 -12.110 -13.593
   93    HG2  ARG  10           HG2      ARG  10  25.392 -10.531 -12.149
   94    HG3  ARG  10           HG3      ARG  10  25.141 -11.542 -10.712
   95    HD2  ARG  10           HD2      ARG  10  26.793 -12.461 -13.100
   96    HD3  ARG  10           HD3      ARG  10  27.489 -11.561 -11.768
   97    HE   ARG  10           HE       ARG  10  26.321 -14.303 -11.669
   98   HH11  ARG  10          HH21      ARG  10  28.270 -11.809  -9.984
   99   HH12  ARG  10          HH22      ARG  10  28.873 -12.924  -8.813
  100   HH21  ARG  10          HH11      ARG  10  26.976 -15.678 -10.012
  101   HH22  ARG  10          HH12      ARG  10  28.191 -15.188  -8.863
  102    H    ASN  11           H        ASN  11  22.595  -9.847 -10.444
  103    HA   ASN  11           HA       ASN  11  20.753  -8.275 -11.683
  104    HB2  ASN  11           HB2      ASN  11  21.519  -7.869  -9.389
  105    HB3  ASN  11           HB3      ASN  11  23.034  -7.180 -10.005
  106   HD21  ASN  11          HD22      ASN  11  22.982  -5.023 -10.974
  107   HD22  ASN  11          HD21      ASN  11  21.480  -4.136 -11.150
  108    H    SER  12           H        SER  12  24.251  -8.149 -12.469
  109    HA   SER  12           HA       SER  12  24.398  -5.677 -13.605
  110    HB2  SER  12           HB2      SER  12  25.875  -8.127 -14.601
  111    HB3  SER  12           HB3      SER  12  26.443  -6.444 -14.574
  112    HG   SER  12           HG       SER  12  27.292  -7.661 -12.851
  113    H    SER  13           H        SER  13  22.723  -8.389 -15.073
  114    HA   SER  13           HA       SER  13  22.245  -6.752 -17.489
  115    HB2  SER  13           HB2      SER  13  22.833  -9.742 -17.526
  116    HB3  SER  13           HB3      SER  13  22.429  -8.725 -18.921
  117    HG   SER  13           HG       SER  13  24.718  -9.099 -18.675
  118    H    ARG  14           H        ARG  14  20.202  -6.970 -18.320
  119    HA   ARG  14           HA       ARG  14  17.996  -7.295 -18.399
  120    HB2  ARG  14           HB2      ARG  14  18.742 -10.140 -17.630
  121    HB3  ARG  14           HB3      ARG  14  17.127  -9.641 -18.168
  122    HG2  ARG  14           HG2      ARG  14  18.132  -8.711 -20.254
  123    HG3  ARG  14           HG3      ARG  14  19.702  -9.356 -19.783
  124    HD2  ARG  14           HD2      ARG  14  17.227 -11.093 -20.121
  125    HD3  ARG  14           HD3      ARG  14  18.312 -10.725 -21.449
  126    HE   ARG  14           HE       ARG  14  18.799 -12.506 -19.176
  127   HH11  ARG  14          HH21      ARG  14  20.308 -10.848 -21.946
  128   HH12  ARG  14          HH22      ARG  14  21.703 -11.859 -21.961
  129   HH21  ARG  14          HH11      ARG  14  20.675 -13.844 -19.202
  130   HH22  ARG  14          HH12      ARG  14  21.909 -13.597 -20.380
  131    H    SER  15           H        SER  15  18.850  -5.953 -16.262
  132    HA   SER  15           HA       SER  15  16.442  -6.178 -14.605
  133    HB2  SER  15           HB2      SER  15  19.115  -5.702 -13.240
  134    HB3  SER  15           HB3      SER  15  17.508  -5.841 -12.502
  135    HG   SER  15           HG       SER  15  18.949  -7.909 -13.853
  136    H    GLN  16           H        GLN  16  19.356  -4.058 -14.467
  137    HA   GLN  16           HA       GLN  16  19.682  -1.956 -14.929
  138    HB2  GLN  16           HB2      GLN  16  19.522  -3.586 -17.216
  139    HB3  GLN  16           HB3      GLN  16  18.699  -2.147 -17.715
  140    HG2  GLN  16           HG2      GLN  16  20.883  -1.703 -18.314
  141    HG3  GLN  16           HG3      GLN  16  20.737  -0.847 -16.773
  142   HE21  GLN  16          HE22      GLN  16  21.740  -4.159 -18.051
  143   HE22  GLN  16          HE21      GLN  16  23.070  -4.318 -16.926
  144    H    MET  17           H        MET  17  17.150  -1.397 -17.275
  145    HA   MET  17           HA       MET  17  16.483   0.841 -15.641
  146    HB2  MET  17           HB2      MET  17  15.632  -0.169 -18.388
  147    HB3  MET  17           HB3      MET  17  14.640   1.073 -17.661
  148    HG2  MET  17           HG2      MET  17  17.512   1.649 -17.599
  149    HG3  MET  17           HG3      MET  17  16.795   1.553 -19.210
  150    HE1  MET  17           HE1      MET  17  15.747   4.773 -16.072
  151    HE2  MET  17           HE2      MET  17  15.152   3.116 -15.807
  152    HE3  MET  17           HE3      MET  17  16.910   3.471 -15.797
  153    H    ALA  18           H        ALA  18  15.140  -2.296 -15.653
  154    HA   ALA  18           HA       ALA  18  12.366  -1.631 -15.664
  155    HB1  ALA  18           HB1      ALA  18  13.318  -3.879 -16.151
  156    HB2  ALA  18           HB2      ALA  18  13.718  -4.061 -14.425
  157    HB3  ALA  18           HB3      ALA  18  12.020  -3.918 -14.957
  158    H    GLU  19           H        GLU  19  14.516  -2.296 -12.835
  159    HA   GLU  19           HA       GLU  19  12.508  -1.403 -10.943
  160    HB2  GLU  19           HB2      GLU  19  13.915  -2.408  -9.572
  161    HB3  GLU  19           HB3      GLU  19  15.149  -2.529 -10.820
  162    HG2  GLU  19           HG2      GLU  19  16.096  -0.416 -10.214
  163    HG3  GLU  19           HG3      GLU  19  14.782  -0.082  -9.057
  164    H    GLY  20           H        GLY  20  15.104   0.220 -12.738
  165    HA2  GLY  20           HA2      GLY  20  15.165   2.650 -11.394
  166    HA3  GLY  20           HA3      GLY  20  15.478   2.452 -13.132
  167    H    PHE  21           H        PHE  21  13.140   1.882 -14.303
  168    HA   PHE  21           HA       PHE  21  11.668   4.340 -14.126
  169    HB2  PHE  21           HB2      PHE  21  11.353   1.729 -15.615
  170    HB3  PHE  21           HB3      PHE  21   9.950   2.765 -15.481
  171    HD1  PHE  21           HD1      PHE  21  10.558   5.449 -15.771
  172    HD2  PHE  21           HD2      PHE  21  12.588   2.070 -17.552
  173    HE1  PHE  21           HE1      PHE  21  11.262   6.860 -17.711
  174    HE2  PHE  21           HE2      PHE  21  13.330   3.478 -19.421
  175    HZ   PHE  21           HZ       PHE  21  12.612   5.868 -19.554
  176    H    ALA  22           H        ALA  22  11.165   1.141 -12.606
  177    HA   ALA  22           HA       ALA  22   8.458   1.780 -11.943
  178    HB1  ALA  22           HB1      ALA  22   8.623  -0.198 -10.470
  179    HB2  ALA  22           HB2      ALA  22   9.401  -0.510 -12.043
  180    HB3  ALA  22           HB3      ALA  22  10.405  -0.177 -10.629
  181    H    LYS  23           H        LYS  23  11.559   2.476 -10.256
  182    HA   LYS  23           HA       LYS  23  10.206   3.552  -7.940
  183    HB2  LYS  23           HB2      LYS  23  12.235   3.497  -7.182
  184    HB3  LYS  23           HB3      LYS  23  12.932   3.211  -8.749
  185    HG2  LYS  23           HG2      LYS  23  12.272   6.054  -7.869
  186    HG3  LYS  23           HG3      LYS  23  13.663   5.241  -7.207
  187    HD2  LYS  23           HD2      LYS  23  13.223   5.635 -10.199
  188    HD3  LYS  23           HD3      LYS  23  14.138   6.724  -9.196
  189    HE2  LYS  23           HE2      LYS  23  14.814   3.739  -9.479
  190    HE3  LYS  23           HE3      LYS  23  15.476   4.992 -10.520
  191    HZ1  LYS  23           HZ1      LYS  23  15.989   4.715  -7.608
  192    HZ2  LYS  23           HZ2      LYS  23  17.069   4.689  -8.853
  193    HZ3  LYS  23           HZ3      LYS  23  16.348   6.085  -8.433
  194    H    THR  24           H        THR  24  11.048   5.017 -11.121
  195    HA   THR  24           HA       THR  24  10.240   7.629 -10.450
  196    HB   THR  24           HB       THR  24  10.758   6.018 -12.921
  197    HG1  THR  24           HG1      THR  24  12.154   8.178 -11.706
  198   HG21  THR  24          HG21      THR  24   9.966   8.925 -12.845
  199   HG22  THR  24          HG22      THR  24  10.840   8.145 -14.189
  200   HG23  THR  24          HG23      THR  24   9.222   7.577 -13.748
  201    H    LEU  25           H        LEU  25   8.510   5.137 -12.309
  202    HA   LEU  25           HA       LEU  25   6.112   6.744 -12.617
  203    HB2  LEU  25           HB2      LEU  25   6.706   3.786 -13.043
  204    HB3  LEU  25           HB3      LEU  25   5.225   4.576 -13.601
  205    HG   LEU  25           HG       LEU  25   8.020   5.408 -14.505
  206   HD11  LEU  25          HD11      LEU  25   7.752   3.100 -15.087
  207   HD12  LEU  25          HD12      LEU  25   6.127   3.374 -15.721
  208   HD13  LEU  25          HD13      LEU  25   7.543   4.066 -16.558
  209   HD21  LEU  25          HD21      LEU  25   6.288   7.115 -14.884
  210   HD22  LEU  25          HD22      LEU  25   6.803   6.404 -16.421
  211   HD23  LEU  25          HD23      LEU  25   5.257   5.916 -15.696
  212    H    GLY  26           H        GLY  26   7.125   4.086 -10.493
  213    HA2  GLY  26           HA2      GLY  26   4.557   3.755  -9.199
  214    HA3  GLY  26           HA3      GLY  26   6.097   2.957  -8.840
  215    H    ALA  27           H        ALA  27   6.762   6.259  -8.921
  216    HA   ALA  27           HA       ALA  27   7.386   6.511  -6.224
  217    HB1  ALA  27           HB1      ALA  27   8.238   8.014  -8.027
  218    HB2  ALA  27           HB2      ALA  27   6.615   8.713  -8.200
  219    HB3  ALA  27           HB3      ALA  27   7.522   8.940  -6.689
  220    H    GLY  28           H        GLY  28   6.270   7.031  -4.408
  221    HA2  GLY  28           HA2      GLY  28   4.601   7.615  -2.994
  222    HA3  GLY  28           HA3      GLY  28   3.823   8.485  -4.322
  223    H    LYS  29           H        LYS  29   4.219   5.135  -5.130
  224    HA   LYS  29           HA       LYS  29   1.615   4.397  -3.893
  225    HB2  LYS  29           HB2      LYS  29   0.721   3.558  -6.059
  226    HB3  LYS  29           HB3      LYS  29   0.927   5.305  -5.997
  227    HG2  LYS  29           HG2      LYS  29   3.112   5.015  -7.258
  228    HG3  LYS  29           HG3      LYS  29   2.697   3.308  -7.438
  229    HD2  LYS  29           HD2      LYS  29   2.054   4.288  -9.479
  230    HD3  LYS  29           HD3      LYS  29   0.550   4.112  -8.590
  231    HE2  LYS  29           HE2      LYS  29   0.534   6.252  -9.658
  232    HE3  LYS  29           HE3      LYS  29   0.661   6.528  -7.924
  233    HZ1  LYS  29           HZ1      LYS  29   2.145   7.930  -9.305
  234    HZ2  LYS  29           HZ2      LYS  29   2.997   7.098  -8.202
  235    HZ3  LYS  29           HZ3      LYS  29   2.997   6.625  -9.796
  236    H    ILE  30           H        ILE  30   4.626   3.222  -5.471
  237    HA   ILE  30           HA       ILE  30   4.247   0.708  -3.956
  238    HB   ILE  30           HB       ILE  30   4.805  -0.660  -5.908
  239   HG12  ILE  30          HG12      ILE  30   4.554   1.925  -7.486
  240   HG13  ILE  30          HG13      ILE  30   5.997   0.923  -7.310
  241   HG21  ILE  30          HG21      ILE  30   2.626  -0.705  -6.897
  242   HG22  ILE  30          HG22      ILE  30   2.412  -0.173  -5.220
  243   HG23  ILE  30          HG23      ILE  30   2.333   1.002  -6.546
  244   HD11  ILE  30          HD11      ILE  30   4.583  -0.925  -8.478
  245   HD12  ILE  30          HD12      ILE  30   3.499   0.388  -8.971
  246   HD13  ILE  30          HD13      ILE  30   5.215   0.420  -9.436
  247    H    ALA  31           H        ALA  31   6.190  -0.439  -3.605
  248    HA   ALA  31           HA       ALA  31   8.634   1.291  -3.525
  249    HB1  ALA  31           HB1      ALA  31   9.418  -0.261  -1.773
  250    HB2  ALA  31           HB2      ALA  31   7.850   0.450  -1.319
  251    HB3  ALA  31           HB3      ALA  31   7.951  -1.224  -1.929
  252    H    VAL  32           H        VAL  32  10.703   0.103  -4.112
  253    HA   VAL  32           HA       VAL  32  10.302  -2.257  -5.897
  254    HB   VAL  32           HB       VAL  32  11.811   0.271  -6.692
  255   HG11  VAL  32          HG11      VAL  32  11.856  -0.759  -8.903
  256   HG12  VAL  32          HG12      VAL  32  12.611  -1.822  -7.723
  257   HG13  VAL  32          HG13      VAL  32  10.967  -2.188  -8.297
  258   HG21  VAL  32          HG21      VAL  32   9.487   0.938  -6.724
  259   HG22  VAL  32          HG22      VAL  32  10.017   0.652  -8.366
  260   HG23  VAL  32          HG23      VAL  32   9.007  -0.559  -7.557
  261    H    THR  33           H        THR  33  11.906  -3.700  -5.586
  262    HA   THR  33           HA       THR  33  14.593  -2.793  -4.904
  263    HB   THR  33           HB       THR  33  13.121  -5.014  -3.483
  264    HG1  THR  33           HG1      THR  33  13.000  -3.739  -1.673
  265   HG21  THR  33          HG21      THR  33  15.892  -3.805  -2.982
  266   HG22  THR  33          HG22      THR  33  15.123  -5.025  -1.941
  267   HG23  THR  33          HG23      THR  33  15.541  -5.433  -3.605
  268    H    SER  34           H        SER  34  15.570  -3.601  -6.768
  269    HA   SER  34           HA       SER  34  14.890  -6.381  -7.531
  270    HB2  SER  34           HB2      SER  34  16.373  -4.161  -8.963
  271    HB3  SER  34           HB3      SER  34  16.344  -5.862  -9.510
  272    HG   SER  34           HG       SER  34  14.619  -4.845 -10.460
  273    H    SER  35           H        SER  35  15.806  -7.657  -6.033
  274    HA   SER  35           HA       SER  35  18.260  -7.199  -4.701
  275    HB2  SER  35           HB2      SER  35  17.797  -9.649  -4.027
  276    HB3  SER  35           HB3      SER  35  16.556  -8.436  -3.632
  277    HG   SER  35           HG       SER  35  15.448 -10.079  -4.648
  278    H    GLY  36           H        GLY  36  17.480  -9.941  -6.811
  279    HA2  GLY  36           HA2      GLY  36  18.907 -10.487  -8.820
  280    HA3  GLY  36           HA3      GLY  36  20.297 -10.047  -7.824
  281    H    LEU  37           H        LEU  37  19.100 -12.715  -8.977
  282    HA   LEU  37           HA       LEU  37  18.811 -14.376  -6.636
  283    HB2  LEU  37           HB2      LEU  37  19.191 -14.854  -9.588
  284    HB3  LEU  37           HB3      LEU  37  19.225 -16.191  -8.452
  285    HG   LEU  37           HG       LEU  37  16.913 -14.278  -8.235
  286   HD11  LEU  37          HD11      LEU  37  17.143 -16.339 -10.473
  287   HD12  LEU  37          HD12      LEU  37  15.675 -15.430 -10.047
  288   HD13  LEU  37          HD13      LEU  37  17.086 -14.575 -10.672
  289   HD21  LEU  37          HD21      LEU  37  16.987 -17.330  -8.253
  290   HD22  LEU  37          HD22      LEU  37  17.305 -16.407  -6.792
  291   HD23  LEU  37          HD23      LEU  37  15.710 -16.290  -7.573
  292    H    GLU  38           H        GLU  38  21.295 -13.333  -8.849
  293    HA   GLU  38           HA       GLU  38  23.475 -14.022  -7.010
  294    HB2  GLU  38           HB2      GLU  38  23.372 -14.193 -10.063
  295    HB3  GLU  38           HB3      GLU  38  24.882 -14.050  -9.153
  296    HG2  GLU  38           HG2      GLU  38  24.511 -16.079  -7.998
  297    HG3  GLU  38           HG3      GLU  38  22.851 -16.222  -8.601
  298    H    SER  39           H        SER  39  25.226 -12.295  -7.232
  299    HA   SER  39           HA       SER  39  24.235  -9.876  -8.533
  300    HB2  SER  39           HB2      SER  39  24.250  -8.655  -6.314
  301    HB3  SER  39           HB3      SER  39  23.016  -9.930  -6.469
  302    HG   SER  39           HG       SER  39  24.117  -9.990  -4.423
  303    H    SER  40           H        SER  40  25.509  -8.224  -8.814
  304    HA   SER  40           HA       SER  40  28.396  -8.447  -8.254
  305    HB2  SER  40           HB2      SER  40  26.996  -8.950 -10.842
  306    HB3  SER  40           HB3      SER  40  28.562  -8.080 -10.900
  307    HG   SER  40           HG       SER  40  29.568  -9.823 -10.029
  308    H    ARG  41           H        ARG  41  26.597  -6.571 -10.755
  309    HA   ARG  41           HA       ARG  41  26.431  -4.174  -9.113
  310    HB2  ARG  41           HB2      ARG  41  28.977  -4.684 -10.279
  311    HB3  ARG  41           HB3      ARG  41  28.238  -3.537 -11.379
  312    HG2  ARG  41           HG2      ARG  41  27.719  -2.054  -9.365
  313    HG3  ARG  41           HG3      ARG  41  28.540  -3.238  -8.350
  314    HD2  ARG  41           HD2      ARG  41  30.087  -1.467  -8.807
  315    HD3  ARG  41           HD3      ARG  41  30.618  -2.919  -9.667
  316    HE   ARG  41           HE       ARG  41  28.948  -0.932 -11.128
  317   HH11  ARG  41          HH11      ARG  41  32.257  -2.064 -10.504
  318   HH12  ARG  41          HH12      ARG  41  32.912  -1.379 -11.953
  319   HH21  ARG  41          HH21      ARG  41  29.794  -0.089 -13.086
  320   HH22  ARG  41          HH22      ARG  41  31.490  -0.191 -13.417
  321    H    VAL  42           H        VAL  42  26.631  -2.498 -11.424
  322    HA   VAL  42           HA       VAL  42  24.363  -3.270 -13.114
  323    HB   VAL  42           HB       VAL  42  23.353  -2.047 -11.332
  324   HG11  VAL  42          HG11      VAL  42  25.421   0.158 -11.675
  325   HG12  VAL  42          HG12      VAL  42  24.002   0.173 -10.592
  326   HG13  VAL  42          HG13      VAL  42  25.308  -0.971 -10.304
  327   HG21  VAL  42          HG21      VAL  42  22.441  -1.400 -13.469
  328   HG22  VAL  42          HG22      VAL  42  22.456  -0.004 -12.393
  329   HG23  VAL  42          HG23      VAL  42  23.680  -0.131 -13.674
  330    H    HIS  43           H        HIS  43  24.543  -2.122 -15.241
  331    HA   HIS  43           HA       HIS  43  27.333  -2.131 -15.965
  332    HB2  HIS  43           HB2      HIS  43  25.570  -3.169 -17.313
  333    HB3  HIS  43           HB3      HIS  43  24.815  -1.605 -17.582
  334    HD1  HIS  43           HD1      HIS  43  28.042  -3.513 -18.585
  335    HD2  HIS  43           HD2      HIS  43  25.658  -0.217 -19.634
  336    HE1  HIS  43           HE1      HIS  43  29.020  -2.580 -20.731
  337    HA   PRO  44           HA       PRO  44  28.206   2.119 -15.249
  338    HB2  PRO  44           HB2      PRO  44  30.193   2.670 -17.135
  339    HB3  PRO  44           HB3      PRO  44  30.440   1.780 -15.593
  340    HG2  PRO  44           HG2      PRO  44  29.915   0.623 -18.358
  341    HG3  PRO  44           HG3      PRO  44  31.195   0.156 -17.181
  342    HD2  PRO  44           HD2      PRO  44  28.953  -1.271 -17.340
  343    HD3  PRO  44           HD3      PRO  44  29.575  -0.841 -15.724
  344    H    THR  45           H        THR  45  28.113   1.511 -18.847
  345    HA   THR  45           HA       THR  45  27.315   4.137 -19.483
  346    HB   THR  45           HB       THR  45  26.858   1.628 -21.039
  347    HG1  THR  45           HG1      THR  45  28.957   1.828 -21.714
  348   HG21  THR  45          HG21      THR  45  25.777   3.528 -22.139
  349   HG22  THR  45          HG22      THR  45  27.244   4.514 -21.954
  350   HG23  THR  45          HG23      THR  45  27.236   3.102 -23.036
  351    H    ALA  46           H        ALA  46  25.433   1.546 -18.086
  352    HA   ALA  46           HA       ALA  46  22.850   2.350 -19.055
  353    HB1  ALA  46           HB1      ALA  46  23.404   0.174 -17.682
  354    HB2  ALA  46           HB2      ALA  46  23.362   1.234 -16.233
  355    HB3  ALA  46           HB3      ALA  46  21.942   1.063 -17.248
  356    H    ILE  47           H        ILE  47  24.771   3.176 -16.166
  357    HA   ILE  47           HA       ILE  47  22.795   4.767 -14.969
  358    HB   ILE  47           HB       ILE  47  25.855   4.962 -14.864
  359   HG12  ILE  47          HG12      ILE  47  24.044   3.738 -12.764
  360   HG13  ILE  47          HG13      ILE  47  24.616   2.779 -14.119
  361   HG21  ILE  47          HG21      ILE  47  25.551   6.147 -12.670
  362   HG22  ILE  47          HG22      ILE  47  24.982   7.079 -14.054
  363   HG23  ILE  47          HG23      ILE  47  23.810   6.252 -13.015
  364   HD11  ILE  47          HD11      ILE  47  26.056   2.431 -12.195
  365   HD12  ILE  47          HD12      ILE  47  26.953   3.194 -13.519
  366   HD13  ILE  47          HD13      ILE  47  26.443   4.157 -12.118
  367    H    ALA  48           H        ALA  48  25.326   5.688 -17.326
  368    HA   ALA  48           HA       ALA  48  24.705   8.441 -17.283
  369    HB1  ALA  48           HB1      ALA  48  26.813   7.577 -18.230
  370    HB2  ALA  48           HB2      ALA  48  25.928   6.736 -19.528
  371    HB3  ALA  48           HB3      ALA  48  25.949   8.513 -19.462
  372    H    MET  49           H        MET  49  23.463   5.832 -19.457
  373    HA   MET  49           HA       MET  49  21.834   7.625 -21.042
  374    HB2  MET  49           HB2      MET  49  21.728   4.612 -20.634
  375    HB3  MET  49           HB3      MET  49  20.828   5.504 -21.867
  376    HG2  MET  49           HG2      MET  49  23.872   5.389 -21.626
  377    HG3  MET  49           HG3      MET  49  22.908   4.484 -22.754
  378    HE1  MET  49           HE1      MET  49  24.771   8.482 -23.372
  379    HE2  MET  49           HE2      MET  49  24.238   8.020 -21.740
  380    HE3  MET  49           HE3      MET  49  25.351   6.965 -22.637
  381    H    MET  50           H        MET  50  21.324   5.771 -18.095
  382    HA   MET  50           HA       MET  50  18.456   6.089 -18.114
  383    HB2  MET  50           HB2      MET  50  20.331   5.177 -15.901
  384    HB3  MET  50           HB3      MET  50  18.578   5.092 -15.874
  385    HG2  MET  50           HG2      MET  50  20.479   3.229 -16.952
  386    HG3  MET  50           HG3      MET  50  18.793   3.023 -16.676
  387    HE1  MET  50           HE1      MET  50  20.753   1.555 -19.251
  388    HE2  MET  50           HE2      MET  50  19.217   1.036 -18.547
  389    HE3  MET  50           HE3      MET  50  19.317   1.405 -20.278
  390    H    GLU  51           H        GLU  51  21.274   7.801 -16.730
  391    HA   GLU  51           HA       GLU  51  19.716   9.776 -15.420
  392    HB2  GLU  51           HB2      GLU  51  22.120   9.206 -14.943
  393    HB3  GLU  51           HB3      GLU  51  22.554  10.047 -16.441
  394    HG2  GLU  51           HG2      GLU  51  22.924  11.548 -14.646
  395    HG3  GLU  51           HG3      GLU  51  21.479  12.125 -15.447
  396    H    GLU  52           H        GLU  52  20.477   9.247 -18.822
  397    HA   GLU  52           HA       GLU  52  19.895  11.942 -19.631
  398    HB2  GLU  52           HB2      GLU  52  19.240   9.475 -21.264
  399    HB3  GLU  52           HB3      GLU  52  19.195  11.124 -21.815
  400    HG2  GLU  52           HG2      GLU  52  21.599  11.383 -21.491
  401    HG3  GLU  52           HG3      GLU  52  21.725   9.709 -20.962
  402    H    VAL  53           H        VAL  53  17.910   9.099 -18.866
  403    HA   VAL  53           HA       VAL  53  15.470  10.765 -19.228
  404    HB   VAL  53           HB       VAL  53  15.449   8.483 -20.056
  405   HG11  VAL  53          HG11      VAL  53  15.404   7.663 -17.133
  406   HG12  VAL  53          HG12      VAL  53  14.885   6.615 -18.464
  407   HG13  VAL  53          HG13      VAL  53  16.560   7.176 -18.389
  408   HG21  VAL  53          HG21      VAL  53  13.175   8.068 -19.584
  409   HG22  VAL  53          HG22      VAL  53  13.248   8.919 -18.029
  410   HG23  VAL  53          HG23      VAL  53  13.390   9.815 -19.558
  411    H    GLY  54           H        GLY  54  17.752  10.920 -17.019
  412    HA2  GLY  54           HA2      GLY  54  17.800  12.032 -15.056
  413    HA3  GLY  54           HA3      GLY  54  16.047  12.255 -15.140
  414    H    ILE  55           H        ILE  55  17.442   9.002 -15.276
  415    HA   ILE  55           HA       ILE  55  16.380   8.424 -12.545
  416    HB   ILE  55           HB       ILE  55  16.405   6.704 -14.977
  417   HG12  ILE  55          HG12      ILE  55  14.157   8.098 -13.463
  418   HG13  ILE  55          HG13      ILE  55  14.647   8.400 -15.117
  419   HG21  ILE  55          HG21      ILE  55  15.219   6.077 -12.247
  420   HG22  ILE  55          HG22      ILE  55  15.271   5.005 -13.658
  421   HG23  ILE  55          HG23      ILE  55  16.765   5.404 -12.839
  422   HD11  ILE  55          HD11      ILE  55  13.915   6.033 -15.690
  423   HD12  ILE  55          HD12      ILE  55  13.226   5.952 -14.041
  424   HD13  ILE  55          HD13      ILE  55  12.635   7.152 -15.203
  425    H    ASP  56           H        ASP  56  17.833   7.562 -11.103
  426    HA   ASP  56           HA       ASP  56  20.418   6.586 -12.207
  427    HB2  ASP  56           HB2      ASP  56  20.634   8.388 -10.568
  428    HB3  ASP  56           HB3      ASP  56  19.791   7.395  -9.366
  429    H    ILE  57           H        ILE  57  21.207   4.668 -11.574
  430    HA   ILE  57           HA       ILE  57  19.563   2.696 -10.147
  431    HB   ILE  57           HB       ILE  57  20.166   0.968 -11.954
  432   HG12  ILE  57          HG12      ILE  57  20.345   3.462 -13.711
  433   HG13  ILE  57          HG13      ILE  57  21.729   2.483 -13.197
  434   HG21  ILE  57          HG21      ILE  57  18.099   1.323 -13.167
  435   HG22  ILE  57          HG22      ILE  57  17.871   1.672 -11.454
  436   HG23  ILE  57          HG23      ILE  57  18.028   3.023 -12.618
  437   HD11  ILE  57          HD11      ILE  57  21.117   1.896 -15.408
  438   HD12  ILE  57          HD12      ILE  57  20.713   0.513 -14.363
  439   HD13  ILE  57          HD13      ILE  57  19.435   1.598 -14.984
  440    H    SER  58           H        SER  58  22.652   4.103 -10.896
  441    HA   SER  58           HA       SER  58  24.516   2.217 -10.197
  442    HB2  SER  58           HB2      SER  58  24.796   4.736 -10.566
  443    HB3  SER  58           HB3      SER  58  24.355   4.937  -8.860
  444    HG   SER  58           HG       SER  58  26.633   4.778  -9.142
  445    H    GLY  59           H        GLY  59  24.990   0.978  -8.374
  446    HA2  GLY  59           HA2      GLY  59  24.765   0.040  -6.301
  447    HA3  GLY  59           HA3      GLY  59  24.011   1.535  -5.740
  448    H    GLN  60           H        GLN  60  22.711  -0.552  -8.404
  449    HA   GLN  60           HA       GLN  60  20.144  -0.926  -7.280
  450    HB2  GLN  60           HB2      GLN  60  21.732  -2.889  -9.004
  451    HB3  GLN  60           HB3      GLN  60  20.028  -3.031  -8.621
  452    HG2  GLN  60           HG2      GLN  60  19.781  -0.681  -9.742
  453    HG3  GLN  60           HG3      GLN  60  21.372  -1.046 -10.438
  454   HE21  GLN  60          HE22      GLN  60  18.039  -2.251 -10.165
  455   HE22  GLN  60          HE21      GLN  60  18.043  -3.118 -11.712
  456    H    THR  61           H        THR  61  23.172  -2.716  -6.841
  457    HA   THR  61           HA       THR  61  22.017  -5.027  -5.735
  458    HB   THR  61           HB       THR  61  24.595  -5.292  -5.012
  459    HG1  THR  61           HG1      THR  61  25.371  -3.251  -5.442
  460   HG21  THR  61          HG21      THR  61  25.065  -6.079  -7.282
  461   HG22  THR  61          HG22      THR  61  23.400  -6.514  -6.835
  462   HG23  THR  61          HG23      THR  61  23.692  -5.147  -7.933
  463    H    SER  62           H        SER  62  21.612  -5.654  -3.666
  464    HA   SER  62           HA       SER  62  22.033  -3.717  -1.436
  465    HB2  SER  62           HB2      SER  62  19.538  -4.236  -0.923
  466    HB3  SER  62           HB3      SER  62  19.930  -3.033  -2.161
  467    HG   SER  62           HG       SER  62  19.251  -4.336  -3.719
  468    H    ASP  63           H        ASP  63  20.218  -6.741  -2.040
  469    HA   ASP  63           HA       ASP  63  22.089  -8.358  -0.455
  470    HB2  ASP  63           HB2      ASP  63  19.246  -7.723   0.368
  471    HB3  ASP  63           HB3      ASP  63  19.836  -9.361   0.582
  472    HA   PRO  64           HA       PRO  64  20.693 -11.235  -3.649
  473    HB2  PRO  64           HB2      PRO  64  20.876 -13.663  -2.402
  474    HB3  PRO  64           HB3      PRO  64  22.318 -12.740  -2.929
  475    HG2  PRO  64           HG2      PRO  64  21.080 -12.832  -0.149
  476    HG3  PRO  64           HG3      PRO  64  22.798 -13.026  -0.599
  477    HD2  PRO  64           HD2      PRO  64  21.788 -10.654   0.254
  478    HD3  PRO  64           HD3      PRO  64  23.049 -10.714  -1.009
  479    H    ILE  65           H        ILE  65  18.721 -12.287  -4.182
  480    HA   ILE  65           HA       ILE  65  16.421 -11.475  -2.860
  481    HB   ILE  65           HB       ILE  65  16.710 -12.283  -5.197
  482   HG12  ILE  65          HG12      ILE  65  14.388 -13.638  -3.813
  483   HG13  ILE  65          HG13      ILE  65  14.467 -11.904  -4.133
  484   HG21  ILE  65          HG21      ILE  65  16.331 -15.108  -4.144
  485   HG22  ILE  65          HG22      ILE  65  16.588 -14.567  -5.803
  486   HG23  ILE  65          HG23      ILE  65  17.904 -14.444  -4.631
  487   HD11  ILE  65          HD11      ILE  65  13.149 -12.929  -5.884
  488   HD12  ILE  65          HD12      ILE  65  14.688 -12.423  -6.590
  489   HD13  ILE  65          HD13      ILE  65  14.397 -14.138  -6.212
  490    H    GLU  66           H        GLU  66  18.399 -14.264  -2.162
  491    HA   GLU  66           HA       GLU  66  16.485 -15.891  -0.887
  492    HB2  GLU  66           HB2      GLU  66  19.428 -15.832  -0.119
  493    HB3  GLU  66           HB3      GLU  66  18.342 -17.226  -0.187
  494    HG2  GLU  66           HG2      GLU  66  18.288 -16.916  -2.716
  495    HG3  GLU  66           HG3      GLU  66  19.522 -15.659  -2.503
  496    H    ASN  67           H        ASN  67  18.347 -13.171   0.121
  497    HA   ASN  67           HA       ASN  67  18.338 -13.429   2.960
  498    HB2  ASN  67           HB2      ASN  67  19.688 -11.800   1.474
  499    HB3  ASN  67           HB3      ASN  67  18.219 -10.827   1.388
  500   HD21  ASN  67          HD22      ASN  67  20.766 -12.085   3.519
  501   HD22  ASN  67          HD21      ASN  67  20.464 -10.993   4.851
  502    H    PHE  68           H        PHE  68  15.898 -12.394   0.659
  503    HA   PHE  68           HA       PHE  68  14.187 -11.069   2.679
  504    HB2  PHE  68           HB2      PHE  68  14.011 -11.386  -0.353
  505    HB3  PHE  68           HB3      PHE  68  12.847 -10.511   0.621
  506    HD1  PHE  68           HD1      PHE  68  13.519  -8.540   1.940
  507    HD2  PHE  68           HD2      PHE  68  16.034 -10.332  -1.030
  508    HE1  PHE  68           HE1      PHE  68  14.835  -6.397   1.764
  509    HE2  PHE  68           HE2      PHE  68  17.359  -8.215  -1.222
  510    HZ   PHE  68           HZ       PHE  68  16.741  -6.248   0.173
  511    H    ASN  69           H        ASN  69  11.725 -11.522   1.975
  512    HA   ASN  69           HA       ASN  69  11.312 -14.346   1.564
  513    HB2  ASN  69           HB2      ASN  69  10.804 -13.671   4.016
  514    HB3  ASN  69           HB3      ASN  69   9.538 -12.631   3.328
  515   HD21  ASN  69          HD22      ASN  69   8.909 -14.651   5.227
  516   HD22  ASN  69          HD21      ASN  69   7.965 -15.873   4.411
  517    H    ALA  70           H        ALA  70   9.416 -14.704   0.140
  518    HA   ALA  70           HA       ALA  70   9.127 -12.388  -1.533
  519    HB1  ALA  70           HB1      ALA  70   8.172 -13.874  -3.150
  520    HB2  ALA  70           HB2      ALA  70   9.424 -14.860  -2.376
  521    HB3  ALA  70           HB3      ALA  70   7.730 -15.060  -1.903
  522    H    ASP  71           H        ASP  71   7.480 -14.126   1.015
  523    HA   ASP  71           HA       ASP  71   4.893 -13.317   0.329
  524    HB2  ASP  71           HB2      ASP  71   5.368 -15.150   1.917
  525    HB3  ASP  71           HB3      ASP  71   6.086 -14.003   3.053
  526    H    ASP  72           H        ASP  72   7.547 -11.507   1.681
  527    HA   ASP  72           HA       ASP  72   5.998  -9.457   2.987
  528    HB2  ASP  72           HB2      ASP  72   8.340 -10.009   3.637
  529    HB3  ASP  72           HB3      ASP  72   8.872  -9.471   2.031
  530    H    TYR  73           H        TYR  73   7.161 -10.161  -0.226
  531    HA   TYR  73           HA       TYR  73   6.774  -7.485  -1.270
  532    HB2  TYR  73           HB2      TYR  73   7.761 -10.077  -2.478
  533    HB3  TYR  73           HB3      TYR  73   7.307  -8.711  -3.487
  534    HD1  TYR  73           HD2      TYR  73   9.510  -9.588  -0.566
  535    HD2  TYR  73           HD1      TYR  73   8.841  -6.970  -3.930
  536    HE1  TYR  73           HE2      TYR  73  11.608  -8.405  -0.047
  537    HE2  TYR  73           HE1      TYR  73  10.945  -5.771  -3.415
  538    HH   TYR  73           HH       TYR  73  13.055  -6.700  -0.632
  539    H    ASP  74           H        ASP  74   5.456  -7.334  -3.359
  540    HA   ASP  74           HA       ASP  74   2.876  -8.829  -3.063
  541    HB2  ASP  74           HB2      ASP  74   2.622  -6.476  -2.370
  542    HB3  ASP  74           HB3      ASP  74   3.273  -5.951  -3.922
  543    H    VAL  75           H        VAL  75   5.289  -7.299  -5.271
  544    HA   VAL  75           HA       VAL  75   4.258  -8.982  -7.464
  545    HB   VAL  75           HB       VAL  75   3.191  -7.097  -8.059
  546   HG11  VAL  75          HG11      VAL  75   5.238  -5.314  -6.774
  547   HG12  VAL  75          HG12      VAL  75   3.889  -4.756  -7.766
  548   HG13  VAL  75          HG13      VAL  75   3.577  -5.595  -6.253
  549   HG21  VAL  75          HG21      VAL  75   5.963  -6.520  -9.160
  550   HG22  VAL  75          HG22      VAL  75   4.788  -7.638  -9.845
  551   HG23  VAL  75          HG23      VAL  75   4.430  -5.890  -9.787
  552    H    VAL  76           H        VAL  76   5.809  -9.877  -8.706
  553    HA   VAL  76           HA       VAL  76   8.565  -8.871  -8.542
  554    HB   VAL  76           HB       VAL  76   7.670 -11.685  -7.997
  555   HG11  VAL  76          HG11      VAL  76   9.775 -11.755  -9.248
  556   HG12  VAL  76          HG12      VAL  76  10.524 -10.586  -8.143
  557   HG13  VAL  76          HG13      VAL  76  10.097 -12.211  -7.585
  558   HG21  VAL  76          HG21      VAL  76   7.457 -10.174  -5.954
  559   HG22  VAL  76          HG22      VAL  76   8.464 -11.575  -5.763
  560   HG23  VAL  76          HG23      VAL  76   9.214  -9.983  -5.995
  561    H    ILE  77           H        ILE  77   9.498  -9.082 -10.516
  562    HA   ILE  77           HA       ILE  77   8.032 -10.508 -12.689
  563    HB   ILE  77           HB       ILE  77  10.075  -8.297 -12.900
  564   HG12  ILE  77          HG12      ILE  77   8.283  -7.221 -11.718
  565   HG13  ILE  77          HG13      ILE  77   8.298  -6.665 -13.373
  566   HG21  ILE  77          HG21      ILE  77   9.383  -8.070 -15.175
  567   HG22  ILE  77          HG22      ILE  77   9.736  -9.770 -14.887
  568   HG23  ILE  77          HG23      ILE  77   8.050  -9.223 -14.963
  569   HD11  ILE  77          HD11      ILE  77   6.294  -7.622 -13.918
  570   HD12  ILE  77          HD12      ILE  77   6.375  -8.856 -12.618
  571   HD13  ILE  77          HD13      ILE  77   6.034  -7.167 -12.232
  572    H    SER  78           H        SER  78   9.163 -12.210 -13.569
  573    HA   SER  78           HA       SER  78  11.996 -12.588 -12.757
  574    HB2  SER  78           HB2      SER  78  10.010 -14.411 -14.177
  575    HB3  SER  78           HB3      SER  78  11.723 -14.786 -13.898
  576    HG   SER  78           HG       SER  78  10.712 -15.703 -12.185
  577    H    LEU  79           H        LEU  79  13.097 -11.142 -14.107
  578    HA   LEU  79           HA       LEU  79  12.042 -10.514 -16.750
  579    HB2  LEU  79           HB2      LEU  79  14.609  -9.782 -15.296
  580    HB3  LEU  79           HB3      LEU  79  14.352  -9.347 -16.982
  581    HG   LEU  79           HG       LEU  79  12.572  -8.509 -14.683
  582   HD11  LEU  79          HD11      LEU  79  14.681  -7.058 -16.323
  583   HD12  LEU  79          HD12      LEU  79  13.530  -6.236 -15.275
  584   HD13  LEU  79          HD13      LEU  79  14.678  -7.395 -14.570
  585   HD21  LEU  79          HD21      LEU  79  11.180  -8.602 -16.662
  586   HD22  LEU  79          HD22      LEU  79  11.617  -6.905 -16.421
  587   HD23  LEU  79          HD23      LEU  79  12.456  -7.878 -17.654
  588    H    CYS  80           H        CYS  80  13.391 -13.280 -15.753
  589    HA   CYS  80           HA       CYS  80  13.982 -14.023 -18.480
  590    HB2  CYS  80           HB2      CYS  80  15.899 -14.646 -16.173
  591    HB3  CYS  80           HB3      CYS  80  16.026 -15.294 -17.810
  592    H    GLY  81           H        GLY  81  12.954 -15.921 -18.859
  593    HA2  GLY  81           HA2      GLY  81  11.657 -17.763 -18.554
  594    HA3  GLY  81           HA3      GLY  81  12.848 -18.197 -17.336
  595    H    SER  82           H        SER  82  11.467 -19.144 -15.865
  596    HA   SER  82           HA       SER  82   9.610 -17.304 -14.423
  597    HB2  SER  82           HB2      SER  82   9.028 -20.249 -14.922
  598    HB3  SER  82           HB3      SER  82   7.997 -19.055 -14.113
  599    HG   SER  82           HG       SER  82   7.404 -19.464 -16.324
  600    H    GLY  83           H        GLY  83  10.492 -20.709 -13.714
  601    HA2  GLY  83           HA2      GLY  83  11.655 -19.923 -11.137
  602    HA3  GLY  83           HA3      GLY  83  11.355 -21.558 -11.742
  603    H    VAL  84           H        VAL  84  13.366 -18.660 -12.567
  604    HA   VAL  84           HA       VAL  84  15.391 -20.318 -13.849
  605    HB   VAL  84           HB       VAL  84  16.588 -18.106 -14.113
  606   HG11  VAL  84          HG11      VAL  84  15.218 -19.175 -15.864
  607   HG12  VAL  84          HG12      VAL  84  13.781 -18.330 -15.238
  608   HG13  VAL  84          HG13      VAL  84  15.139 -17.411 -15.935
  609   HG21  VAL  84          HG21      VAL  84  13.934 -16.881 -13.217
  610   HG22  VAL  84          HG22      VAL  84  15.430 -16.840 -12.257
  611   HG23  VAL  84          HG23      VAL  84  15.357 -16.042 -13.834
  612    H    ASN  85           H        ASN  85  15.409 -21.584 -11.776
  613    HA   ASN  85           HA       ASN  85  16.478 -22.428  -9.983
  614    HB2  ASN  85           HB2      ASN  85  18.542 -22.272 -11.356
  615    HB3  ASN  85           HB3      ASN  85  18.832 -20.654 -10.705
  616   HD21  ASN  85          HD22      ASN  85  20.934 -21.659  -9.945
  617   HD22  ASN  85          HD21      ASN  85  20.926 -22.565  -8.452
  618    H    LEU  86           H        LEU  86  14.602 -20.994  -9.368
  619    HA   LEU  86           HA       LEU  86  15.329 -18.892  -7.410
  620    HB2  LEU  86           HB2      LEU  86  14.844 -17.646  -9.304
  621    HB3  LEU  86           HB3      LEU  86  13.681 -18.764  -9.932
  622    HG   LEU  86           HG       LEU  86  12.941 -17.345  -7.391
  623   HD11  LEU  86          HD11      LEU  86  13.778 -15.480  -8.691
  624   HD12  LEU  86          HD12      LEU  86  12.962 -16.077 -10.160
  625   HD13  LEU  86          HD13      LEU  86  12.017 -15.460  -8.785
  626   HD21  LEU  86          HD21      LEU  86  11.472 -19.101  -8.607
  627   HD22  LEU  86          HD22      LEU  86  10.702 -17.527  -8.421
  628   HD23  LEU  86          HD23      LEU  86  11.416 -17.994  -9.980
  629    HA   PRO  87           HA       PRO  87  12.425 -21.363  -5.111
  630    HB2  PRO  87           HB2      PRO  87  11.883 -18.952  -3.417
  631    HB3  PRO  87           HB3      PRO  87  12.394 -20.591  -2.926
  632    HG2  PRO  87           HG2      PRO  87  14.162 -18.523  -2.938
  633    HG3  PRO  87           HG3      PRO  87  14.650 -20.166  -3.464
  634    HD2  PRO  87           HD2      PRO  87  13.884 -17.795  -5.195
  635    HD3  PRO  87           HD3      PRO  87  15.242 -18.945  -5.364
  636    HA   PRO  88           HA       PRO  88   8.886 -20.301  -7.415
  637    HB2  PRO  88           HB2      PRO  88   6.871 -21.870  -6.326
  638    HB3  PRO  88           HB3      PRO  88   8.204 -22.485  -7.354
  639    HG2  PRO  88           HG2      PRO  88   8.056 -22.432  -4.323
  640    HG3  PRO  88           HG3      PRO  88   8.515 -23.804  -5.385
  641    HD2  PRO  88           HD2      PRO  88  10.415 -22.273  -4.226
  642    HD3  PRO  88           HD3      PRO  88  10.610 -22.804  -5.923
  643    H    GLU  89           H        GLU  89   8.609 -19.751  -3.909
  644    HA   GLU  89           HA       GLU  89   6.169 -18.358  -3.859
  645    HB2  GLU  89           HB2      GLU  89   7.056 -17.217  -1.883
  646    HB3  GLU  89           HB3      GLU  89   7.168 -18.958  -1.820
  647    HG2  GLU  89           HG2      GLU  89   9.616 -17.520  -2.810
  648    HG3  GLU  89           HG3      GLU  89   9.176 -17.285  -1.121
  649    H    TRP  90           H        TRP  90   9.171 -17.406  -5.384
  650    HA   TRP  90           HA       TRP  90   8.482 -14.572  -5.365
  651    HB2  TRP  90           HB2      TRP  90  10.722 -16.153  -6.646
  652    HB3  TRP  90           HB3      TRP  90  10.544 -14.411  -6.817
  653    HD1  TRP  90           HD1      TRP  90  11.803 -17.023  -4.465
  654    HE1  TRP  90           HE1      TRP  90  12.750 -15.984  -2.315
  655    HE3  TRP  90           HE3      TRP  90  10.396 -12.219  -5.265
  656    HZ2  TRP  90           HZ2      TRP  90  12.719 -13.363  -1.034
  657    HZ3  TRP  90           HZ3      TRP  90  10.731 -10.474  -3.539
  658    HH2  TRP  90           HH2      TRP  90  11.885 -11.026  -1.434
  659    H    VAL  91           H        VAL  91   7.733 -17.254  -7.526
  660    HA   VAL  91           HA       VAL  91   6.890 -15.309  -9.577
  661    HB   VAL  91           HB       VAL  91   6.342 -17.365 -10.872
  662   HG11  VAL  91          HG11      VAL  91   8.649 -17.638 -11.642
  663   HG12  VAL  91          HG12      VAL  91   8.309 -15.939 -11.278
  664   HG13  VAL  91          HG13      VAL  91   9.258 -16.900 -10.142
  665   HG21  VAL  91          HG21      VAL  91   6.407 -19.069  -9.049
  666   HG22  VAL  91          HG22      VAL  91   7.475 -19.452 -10.403
  667   HG23  VAL  91          HG23      VAL  91   8.170 -18.805  -8.914
  668    H    THR  92           H        THR  92   5.562 -17.545  -7.122
  669    HA   THR  92           HA       THR  92   2.910 -17.001  -8.239
  670    HB   THR  92           HB       THR  92   3.683 -19.262  -7.577
  671    HG1  THR  92           HG1      THR  92   1.497 -19.044  -7.724
  672   HG21  THR  92          HG21      THR  92   3.987 -19.991  -5.374
  673   HG22  THR  92          HG22      THR  92   4.825 -18.435  -5.436
  674   HG23  THR  92          HG23      THR  92   3.237 -18.539  -4.668
  675    H    GLN  93           H        GLN  93   3.876 -14.723  -7.670
  676    HA   GLN  93           HA       GLN  93   2.948 -13.601  -5.137
  677    HB2  GLN  93           HB2      GLN  93   4.230 -12.508  -7.679
  678    HB3  GLN  93           HB3      GLN  93   3.757 -11.477  -6.337
  679    HG2  GLN  93           HG2      GLN  93   5.711 -13.804  -6.009
  680    HG3  GLN  93           HG3      GLN  93   6.180 -12.171  -6.424
  681   HE21  GLN  93          HE22      GLN  93   5.686 -14.247  -3.761
  682   HE22  GLN  93          HE21      GLN  93   5.604 -12.980  -2.534
  683    H    GLU  94           H        GLU  94   1.567 -11.362  -5.742
  684    HA   GLU  94           HA       GLU  94  -0.946 -12.378  -6.633
  685    HB2  GLU  94           HB2      GLU  94  -0.005  -9.531  -6.090
  686    HB3  GLU  94           HB3      GLU  94  -1.678  -9.974  -6.419
  687    HG2  GLU  94           HG2      GLU  94  -0.026 -10.956  -4.055
  688    HG3  GLU  94           HG3      GLU  94  -1.274  -9.718  -4.011
  689    H    ILE  95           H        ILE  95   1.711 -11.051  -8.391
  690    HA   ILE  95           HA       ILE  95   0.268 -11.524 -10.873
  691    HB   ILE  95           HB       ILE  95  -0.092  -9.181 -10.752
  692   HG12  ILE  95          HG12      ILE  95   2.423  -9.399 -12.444
  693   HG13  ILE  95          HG13      ILE  95   0.898 -10.154 -12.918
  694   HG21  ILE  95          HG21      ILE  95   1.411  -8.504  -8.964
  695   HG22  ILE  95          HG22      ILE  95   2.834  -8.839  -9.976
  696   HG23  ILE  95          HG23      ILE  95   1.746  -7.500 -10.365
  697   HD11  ILE  95          HD11      ILE  95   1.247  -7.157 -12.456
  698   HD12  ILE  95          HD12      ILE  95   1.245  -7.953 -14.026
  699   HD13  ILE  95          HD13      ILE  95  -0.218  -7.975 -13.017
  700    H    PHE  96           H        PHE  96   1.602 -12.610 -12.275
  701    HA   PHE  96           HA       PHE  96   4.510 -12.773 -11.655
  702    HB2  PHE  96           HB2      PHE  96   3.749 -14.967 -11.464
  703    HB3  PHE  96           HB3      PHE  96   2.646 -14.825 -12.837
  704    HD1  PHE  96           HD1      PHE  96   6.320 -14.557 -12.001
  705    HD2  PHE  96           HD2      PHE  96   3.349 -15.683 -14.924
  706    HE1  PHE  96           HE1      PHE  96   8.106 -15.321 -13.538
  707    HE2  PHE  96           HE2      PHE  96   5.150 -16.448 -16.450
  708    HZ   PHE  96           HZ       PHE  96   7.532 -16.263 -15.760
  709    H    GLU  97           H        GLU  97   5.817 -12.021 -13.409
  710    HA   GLU  97           HA       GLU  97   4.758 -11.928 -16.106
  711    HB2  GLU  97           HB2      GLU  97   5.790  -9.466 -14.729
  712    HB3  GLU  97           HB3      GLU  97   5.670  -9.581 -16.463
  713    HG2  GLU  97           HG2      GLU  97   3.293  -9.687 -14.572
  714    HG3  GLU  97           HG3      GLU  97   3.891  -8.243 -15.350
  715    H    ASP  98           H        ASP  98   6.571 -11.198 -17.552
  716    HA   ASP  98           HA       ASP  98   9.226 -11.801 -17.055
  717    HB2  ASP  98           HB2      ASP  98   8.787 -14.117 -16.655
  718    HB3  ASP  98           HB3      ASP  98   7.461 -14.150 -17.813
  719    H    TRP  99           H        TRP  99  10.339 -11.195 -18.873
  720    HA   TRP  99           HA       TRP  99   8.931 -10.794 -21.407
  721    HB2  TRP  99           HB2      TRP  99   9.979  -8.461 -19.766
  722    HB3  TRP  99           HB3      TRP  99   9.339  -8.353 -21.401
  723    HD1  TRP  99           HD1      TRP  99   6.506  -9.538 -21.224
  724    HE1  TRP  99           HE1      TRP  99   4.705  -8.680 -19.597
  725    HE3  TRP  99           HE3      TRP  99   9.494  -7.218 -17.798
  726    HZ2  TRP  99           HZ2      TRP  99   4.549  -6.817 -17.382
  727    HZ3  TRP  99           HZ3      TRP  99   8.492  -6.056 -15.873
  728    HH2  TRP  99           HH2      TRP  99   6.039  -5.779 -15.687
  729    H    GLN 100           H        GLN 100  10.475 -10.656 -23.087
  730    HA   GLN 100           HA       GLN 100  13.245 -11.244 -22.334
  731    HB2  GLN 100           HB2      GLN 100  12.011 -12.488 -24.104
  732    HB3  GLN 100           HB3      GLN 100  11.949 -11.020 -25.083
  733    HG2  GLN 100           HG2      GLN 100  14.456 -10.977 -25.112
  734    HG3  GLN 100           HG3      GLN 100  14.478 -12.442 -24.126
  735   HE21  GLN 100          HE22      GLN 100  15.904 -12.823 -26.285
  736   HE22  GLN 100          HE21      GLN 100  15.043 -13.682 -27.541
  737    H    LEU 101           H        LEU 101  13.577  -9.183 -21.242
  738    HA   LEU 101           HA       LEU 101  13.811  -6.717 -22.827
  739    HB2  LEU 101           HB2      LEU 101  14.591  -7.556 -20.014
  740    HB3  LEU 101           HB3      LEU 101  15.389  -6.174 -20.748
  741    HG   LEU 101           HG       LEU 101  13.282  -5.006 -21.076
  742   HD11  LEU 101          HD11      LEU 101  12.019  -7.472 -19.821
  743   HD12  LEU 101          HD12      LEU 101  11.189  -5.899 -19.968
  744   HD13  LEU 101          HD13      LEU 101  11.678  -6.781 -21.422
  745   HD21  LEU 101          HD21      LEU 101  12.754  -4.668 -18.636
  746   HD22  LEU 101          HD22      LEU 101  13.750  -6.090 -18.262
  747   HD23  LEU 101          HD23      LEU 101  14.495  -4.657 -18.990
  748    H    GLU 102           H        GLU 102  15.343  -6.483 -24.369
  749    HA   GLU 102           HA       GLU 102  17.752  -8.084 -24.350
  750    HB2  GLU 102           HB2      GLU 102  16.794  -5.844 -26.174
  751    HB3  GLU 102           HB3      GLU 102  18.328  -6.716 -26.357
  752    HG2  GLU 102           HG2      GLU 102  17.064  -8.862 -26.576
  753    HG3  GLU 102           HG3      GLU 102  15.546  -7.970 -26.461
  754    H    ASP 103           H        ASP 103  19.359  -7.481 -22.916
  755    HA   ASP 103           HA       ASP 103  19.245  -4.922 -21.626
  756    HB2  ASP 103           HB2      ASP 103  19.942  -7.044 -20.521
  757    HB3  ASP 103           HB3      ASP 103  21.469  -6.971 -21.413
  758    HA   PRO 104           HA       PRO 104  21.862  -2.970 -24.674
  759    HB2  PRO 104           HB2      PRO 104  22.157  -0.532 -23.682
  760    HB3  PRO 104           HB3      PRO 104  20.562  -1.157 -24.182
  761    HG2  PRO 104           HG2      PRO 104  21.713  -1.136 -21.355
  762    HG3  PRO 104           HG3      PRO 104  20.132  -0.478 -21.897
  763    HD2  PRO 104           HD2      PRO 104  20.345  -2.986 -20.878
  764    HD3  PRO 104           HD3      PRO 104  19.260  -2.649 -22.253
  765    H    ASP 105           H        ASP 105  23.117  -4.105 -21.727
  766    HA   ASP 105           HA       ASP 105  25.585  -3.175 -21.205
  767    HB2  ASP 105           HB2      ASP 105  24.939  -5.130 -20.109
  768    HB3  ASP 105           HB3      ASP 105  24.531  -5.964 -21.607
  769    H    GLY 106           H        GLY 106  27.103  -2.343 -22.500
  770    HA2  GLY 106           HA2      GLY 106  28.816  -2.247 -23.985
  771    HA3  GLY 106           HA3      GLY 106  28.609  -3.983 -24.259
  772    H    GLN 107           H        GLN 107  25.684  -2.372 -25.028
  773    HA   GLN 107           HA       GLN 107  26.132  -2.744 -27.904
  774    HB2  GLN 107           HB2      GLN 107  23.717  -1.587 -26.478
  775    HB3  GLN 107           HB3      GLN 107  23.774  -2.206 -28.123
  776    HG2  GLN 107           HG2      GLN 107  24.057  -3.901 -25.609
  777    HG3  GLN 107           HG3      GLN 107  22.596  -3.671 -26.543
  778   HE21  GLN 107          HE22      GLN 107  22.982  -6.101 -26.186
  779   HE22  GLN 107          HE21      GLN 107  23.705  -6.941 -27.551
  780    H    SER 108           H        SER 108  25.233  -0.924 -29.374
  781    HA   SER 108           HA       SER 108  26.535   1.584 -28.919
  782    HB2  SER 108           HB2      SER 108  24.362   0.855 -30.925
  783    HB3  SER 108           HB3      SER 108  25.493   2.222 -31.026
  784    HG   SER 108           HG       SER 108  26.197   0.436 -32.302
  785    H    LEU 109           H        LEU 109  25.409   3.686 -28.752
  786    HA   LEU 109           HA       LEU 109  23.700   3.681 -26.474
  787    HB2  LEU 109           HB2      LEU 109  24.352   5.983 -28.349
  788    HB3  LEU 109           HB3      LEU 109  23.545   6.111 -26.798
  789    HG   LEU 109           HG       LEU 109  25.666   6.779 -26.302
  790   HD11  LEU 109          HD11      LEU 109  24.902   4.988 -24.723
  791   HD12  LEU 109          HD12      LEU 109  25.890   3.820 -25.623
  792   HD13  LEU 109          HD13      LEU 109  26.658   5.182 -24.794
  793   HD21  LEU 109          HD21      LEU 109  27.755   5.828 -26.989
  794   HD22  LEU 109          HD22      LEU 109  26.967   4.449 -27.766
  795   HD23  LEU 109          HD23      LEU 109  26.763   6.089 -28.430
  796    H    GLU 110           H        GLU 110  22.895   3.784 -29.903
  797    HA   GLU 110           HA       GLU 110  20.209   4.597 -29.720
  798    HB2  GLU 110           HB2      GLU 110  19.886   3.042 -31.717
  799    HB3  GLU 110           HB3      GLU 110  21.094   4.327 -31.884
  800    HG2  GLU 110           HG2      GLU 110  22.889   2.651 -31.491
  801    HG3  GLU 110           HG3      GLU 110  21.662   1.391 -31.333
  802    H    VAL 111           H        VAL 111  21.686   1.490 -28.823
  803    HA   VAL 111           HA       VAL 111  19.128   0.167 -28.649
  804    HB   VAL 111           HB       VAL 111  21.769  -0.795 -27.566
  805   HG11  VAL 111          HG11      VAL 111  20.785  -3.050 -27.980
  806   HG12  VAL 111          HG12      VAL 111  19.862  -2.123 -26.790
  807   HG13  VAL 111          HG13      VAL 111  19.262  -2.281 -28.458
  808   HG21  VAL 111          HG21      VAL 111  20.626  -0.915 -30.398
  809   HG22  VAL 111          HG22      VAL 111  22.213  -0.317 -29.893
  810   HG23  VAL 111          HG23      VAL 111  21.889  -2.045 -29.829
  811    H    PHE 112           H        PHE 112  21.520   1.393 -26.183
  812    HA   PHE 112           HA       PHE 112  19.946   1.100 -23.889
  813    HB2  PHE 112           HB2      PHE 112  21.664   3.473 -24.777
  814    HB3  PHE 112           HB3      PHE 112  20.892   3.378 -23.207
  815    HD1  PHE 112           HD2      PHE 112  23.596   1.943 -25.322
  816    HD2  PHE 112           HD1      PHE 112  21.704   1.942 -21.449
  817    HE1  PHE 112           HE2      PHE 112  25.535   0.750 -24.375
  818    HE2  PHE 112           HE1      PHE 112  23.620   0.650 -20.533
  819    HZ   PHE 112           HZ       PHE 112  25.549   0.074 -22.004
  820    H    ARG 113           H        ARG 113  19.752   3.803 -26.275
  821    HA   ARG 113           HA       ARG 113  17.649   5.137 -24.840
  822    HB2  ARG 113           HB2      ARG 113  18.714   5.372 -27.682
  823    HB3  ARG 113           HB3      ARG 113  17.501   6.470 -27.007
  824    HG2  ARG 113           HG2      ARG 113  18.992   7.265 -25.307
  825    HG3  ARG 113           HG3      ARG 113  20.177   6.001 -25.605
  826    HD2  ARG 113           HD2      ARG 113  20.680   6.904 -27.803
  827    HD3  ARG 113           HD3      ARG 113  19.456   8.176 -27.602
  828    HE   ARG 113           HE       ARG 113  21.007   8.586 -25.405
  829   HH11  ARG 113          HH11      ARG 113  21.828   8.303 -28.880
  830   HH12  ARG 113          HH12      ARG 113  23.250   9.274 -28.753
  831   HH21  ARG 113          HH21      ARG 113  22.793   9.935 -25.282
  832   HH22  ARG 113          HH22      ARG 113  23.838  10.215 -26.648
  833    H    THR 114           H        THR 114  17.523   2.741 -27.540
  834    HA   THR 114           HA       THR 114  14.714   2.756 -27.907
  835    HB   THR 114           HB       THR 114  17.041   0.844 -28.266
  836    HG1  THR 114           HG1      THR 114  16.923   2.319 -29.830
  837   HG21  THR 114          HG21      THR 114  14.168   0.097 -28.783
  838   HG22  THR 114          HG22      THR 114  15.611  -0.737 -29.462
  839   HG23  THR 114          HG23      THR 114  15.350  -0.700 -27.716
  840    H    VAL 115           H        VAL 115  16.855   0.835 -25.674
  841    HA   VAL 115           HA       VAL 115  14.647  -0.648 -24.699
  842    HB   VAL 115           HB       VAL 115  17.512  -0.367 -23.731
  843   HG11  VAL 115          HG11      VAL 115  15.370  -2.360 -22.831
  844   HG12  VAL 115          HG12      VAL 115  17.096  -2.501 -22.477
  845   HG13  VAL 115          HG13      VAL 115  16.181  -1.148 -21.809
  846   HG21  VAL 115          HG21      VAL 115  17.834  -2.493 -24.854
  847   HG22  VAL 115          HG22      VAL 115  16.094  -2.657 -25.185
  848   HG23  VAL 115          HG23      VAL 115  17.052  -1.442 -26.028
  849    H    ARG 116           H        ARG 116  16.042   2.437 -23.605
  850    HA   ARG 116           HA       ARG 116  14.613   2.609 -21.161
  851    HB2  ARG 116           HB2      ARG 116  15.164   4.849 -23.194
  852    HB3  ARG 116           HB3      ARG 116  14.509   5.070 -21.568
  853    HG2  ARG 116           HG2      ARG 116  16.643   3.796 -20.780
  854    HG3  ARG 116           HG3      ARG 116  17.316   4.218 -22.345
  855    HD2  ARG 116           HD2      ARG 116  16.066   6.351 -20.591
  856    HD3  ARG 116           HD3      ARG 116  17.670   5.746 -20.255
  857    HE   ARG 116           HE       ARG 116  18.575   6.830 -22.006
  858   HH11  ARG 116          HH21      ARG 116  15.034   7.230 -22.402
  859   HH12  ARG 116          HH22      ARG 116  15.205   8.595 -23.434
  860   HH21  ARG 116          HH11      ARG 116  18.759   8.653 -23.400
  861   HH22  ARG 116          HH12      ARG 116  17.320   9.375 -24.025
  862    H    GLY 117           H        GLY 117  13.487   3.395 -24.503
  863    HA2  GLY 117           HA2      GLY 117  10.834   4.146 -23.803
  864    HA3  GLY 117           HA3      GLY 117  11.383   3.567 -25.384
  865    H    GLN 118           H        GLN 118  12.157   0.971 -24.948
  866    HA   GLN 118           HA       GLN 118   9.678  -0.377 -24.918
  867    HB2  GLN 118           HB2      GLN 118  12.398  -1.636 -24.492
  868    HB3  GLN 118           HB3      GLN 118  10.894  -2.449 -24.936
  869    HG2  GLN 118           HG2      GLN 118  10.934  -0.662 -26.950
  870    HG3  GLN 118           HG3      GLN 118  12.669  -0.702 -26.612
  871   HE21  GLN 118          HE22      GLN 118  13.389  -3.226 -26.151
  872   HE22  GLN 118          HE21      GLN 118  12.916  -4.291 -27.455
  873    H    VAL 119           H        VAL 119  12.151  -0.159 -22.382
  874    HA   VAL 119           HA       VAL 119  10.720  -1.829 -20.517
  875    HB   VAL 119           HB       VAL 119  12.947   0.200 -20.065
  876   HG11  VAL 119          HG11      VAL 119  11.790  -0.077 -17.934
  877   HG12  VAL 119          HG12      VAL 119  11.688  -1.840 -18.169
  878   HG13  VAL 119          HG13      VAL 119  13.261  -1.060 -17.900
  879   HG21  VAL 119          HG21      VAL 119  14.338  -1.853 -19.879
  880   HG22  VAL 119          HG22      VAL 119  12.892  -2.852 -20.162
  881   HG23  VAL 119          HG23      VAL 119  13.519  -1.828 -21.451
  882    H    LYS 120           H        LYS 120  10.786   1.786 -20.923
  883    HA   LYS 120           HA       LYS 120   9.278   2.448 -18.662
  884    HB2  LYS 120           HB2      LYS 120  10.289   4.060 -20.311
  885    HB3  LYS 120           HB3      LYS 120   9.025   3.620 -21.480
  886    HG2  LYS 120           HG2      LYS 120   7.288   4.529 -20.009
  887    HG3  LYS 120           HG3      LYS 120   8.480   4.865 -18.741
  888    HD2  LYS 120           HD2      LYS 120   9.668   6.438 -20.196
  889    HD3  LYS 120           HD3      LYS 120   8.591   6.091 -21.546
  890    HE2  LYS 120           HE2      LYS 120   7.618   7.244 -18.886
  891    HE3  LYS 120           HE3      LYS 120   8.192   8.252 -20.217
  892    HZ1  LYS 120           HZ1      LYS 120   6.432   7.310 -21.620
  893    HZ2  LYS 120           HZ2      LYS 120   5.846   6.419 -20.362
  894    HZ3  LYS 120           HZ3      LYS 120   5.809   8.051 -20.311
  895    H    GLU 121           H        GLU 121   8.121   1.436 -21.911
  896    HA   GLU 121           HA       GLU 121   5.377   1.743 -21.336
  897    HB2  GLU 121           HB2      GLU 121   6.376   1.717 -23.546
  898    HB3  GLU 121           HB3      GLU 121   6.848   0.024 -23.365
  899    HG2  GLU 121           HG2      GLU 121   4.508  -0.687 -23.236
  900    HG3  GLU 121           HG3      GLU 121   3.962   0.995 -23.290
  901    H    ARG 122           H        ARG 122   7.481  -1.202 -21.101
  902    HA   ARG 122           HA       ARG 122   5.343  -2.938 -20.272
  903    HB2  ARG 122           HB2      ARG 122   8.332  -3.185 -19.792
  904    HB3  ARG 122           HB3      ARG 122   7.115  -4.408 -19.402
  905    HG2  ARG 122           HG2      ARG 122   6.406  -4.051 -21.975
  906    HG3  ARG 122           HG3      ARG 122   8.085  -3.496 -22.116
  907    HD2  ARG 122           HD2      ARG 122   8.819  -5.632 -21.031
  908    HD3  ARG 122           HD3      ARG 122   7.126  -6.139 -20.979
  909    HE   ARG 122           HE       ARG 122   8.874  -5.859 -23.370
  910   HH11  ARG 122          HH11      ARG 122   5.662  -6.792 -22.131
  911   HH12  ARG 122          HH12      ARG 122   5.166  -7.537 -23.608
  912   HH21  ARG 122          HH21      ARG 122   8.214  -6.899 -25.315
  913   HH22  ARG 122          HH22      ARG 122   6.653  -7.620 -25.436
  914    H    VAL 123           H        VAL 123   7.665  -1.009 -18.354
  915    HA   VAL 123           HA       VAL 123   6.642  -1.908 -15.820
  916    HB   VAL 123           HB       VAL 123   8.167   0.554 -16.625
  917   HG11  VAL 123          HG11      VAL 123   7.705  -0.603 -13.843
  918   HG12  VAL 123          HG12      VAL 123   8.858   0.694 -14.244
  919   HG13  VAL 123          HG13      VAL 123   7.125   0.960 -14.447
  920   HG21  VAL 123          HG21      VAL 123   9.398  -1.614 -17.028
  921   HG22  VAL 123          HG22      VAL 123  10.162  -0.593 -15.810
  922   HG23  VAL 123          HG23      VAL 123   9.198  -2.000 -15.311
  923    H    GLU 124           H        GLU 124   5.751   0.928 -17.941
  924    HA   GLU 124           HA       GLU 124   3.850   1.997 -16.142
  925    HB2  GLU 124           HB2      GLU 124   4.222   2.145 -19.154
  926    HB3  GLU 124           HB3      GLU 124   2.702   2.696 -18.431
  927    HG2  GLU 124           HG2      GLU 124   4.083   4.165 -16.882
  928    HG3  GLU 124           HG3      GLU 124   5.476   3.780 -17.900
  929    H    ASN 125           H        ASN 125   3.513  -0.540 -18.617
  930    HA   ASN 125           HA       ASN 125   0.716  -0.901 -18.303
  931    HB2  ASN 125           HB2      ASN 125   1.965  -1.834 -20.211
  932    HB3  ASN 125           HB3      ASN 125   2.823  -2.939 -19.133
  933   HD21  ASN 125          HD22      ASN 125  -0.455  -2.103 -20.405
  934   HD22  ASN 125          HD21      ASN 125  -1.143  -3.673 -20.095
  935    H    LEU 126           H        LEU 126   3.459  -2.549 -16.640
  936    HA   LEU 126           HA       LEU 126   1.984  -4.291 -15.017
  937    HB2  LEU 126           HB2      LEU 126   4.363  -4.464 -15.260
  938    HB3  LEU 126           HB3      LEU 126   4.637  -2.824 -14.709
  939    HG   LEU 126           HG       LEU 126   3.891  -3.424 -12.433
  940   HD11  LEU 126          HD11      LEU 126   2.412  -5.327 -12.965
  941   HD12  LEU 126          HD12      LEU 126   3.798  -6.257 -13.588
  942   HD13  LEU 126          HD13      LEU 126   3.677  -5.863 -11.865
  943   HD21  LEU 126          HD21      LEU 126   6.230  -3.412 -13.000
  944   HD22  LEU 126          HD22      LEU 126   5.890  -4.684 -11.817
  945   HD23  LEU 126          HD23      LEU 126   6.162  -5.105 -13.527
  946    H    ILE 127           H        ILE 127   3.040  -0.901 -14.350
  947    HA   ILE 127           HA       ILE 127   1.922  -0.703 -11.695
  948    HB   ILE 127           HB       ILE 127   2.732   1.279 -13.854
  949   HG12  ILE 127          HG12      ILE 127   4.055   0.324 -11.271
  950   HG13  ILE 127          HG13      ILE 127   4.494  -0.292 -12.839
  951   HG21  ILE 127          HG21      ILE 127   1.107   2.330 -12.301
  952   HG22  ILE 127          HG22      ILE 127   2.103   1.821 -10.920
  953   HG23  ILE 127          HG23      ILE 127   2.719   3.002 -12.104
  954   HD11  ILE 127          HD11      ILE 127   4.882   2.537 -11.866
  955   HD12  ILE 127          HD12      ILE 127   6.115   1.328 -12.243
  956   HD13  ILE 127          HD13      ILE 127   5.117   2.009 -13.557
  957    H    ALA 128           H        ALA 128   0.663   0.197 -14.986
  958    HA   ALA 128           HA       ALA 128  -1.830   1.151 -14.102
  959    HB1  ALA 128           HB1      ALA 128  -1.167  -0.232 -16.734
  960    HB2  ALA 128           HB2      ALA 128  -2.542   0.844 -16.419
  961    HB3  ALA 128           HB3      ALA 128  -0.885   1.488 -16.372
  962    H    LYS 129           H        LYS 129  -0.764  -2.251 -14.561
  963    HA   LYS 129           HA       LYS 129  -3.414  -3.330 -14.229
  964    HB2  LYS 129           HB2      LYS 129  -0.684  -4.605 -13.812
  965    HB3  LYS 129           HB3      LYS 129  -2.209  -5.438 -13.554
  966    HG2  LYS 129           HG2      LYS 129  -2.841  -5.117 -15.910
  967    HG3  LYS 129           HG3      LYS 129  -1.330  -4.247 -16.215
  968    HD2  LYS 129           HD2      LYS 129  -0.022  -6.244 -15.569
  969    HD3  LYS 129           HD3      LYS 129  -1.530  -7.124 -15.219
  970    HE2  LYS 129           HE2      LYS 129  -2.226  -6.708 -17.635
  971    HE3  LYS 129           HE3      LYS 129  -0.605  -6.071 -17.928
  972    HZ1  LYS 129           HZ1      LYS 129   0.290  -8.276 -17.281
  973    HZ2  LYS 129           HZ2      LYS 129  -1.234  -8.844 -17.069
  974    HZ3  LYS 129           HZ3      LYS 129  -0.738  -8.385 -18.551
  975    H    ILE 130           H        ILE 130  -0.640  -3.012 -11.940
  976    HA   ILE 130           HA       ILE 130  -2.272  -4.016  -9.865
  977    HB   ILE 130           HB       ILE 130  -0.359  -3.858  -8.461
  978   HG12  ILE 130          HG12      ILE 130   0.900  -2.253 -10.698
  979   HG13  ILE 130          HG13      ILE 130   0.586  -1.716  -9.049
  980   HG21  ILE 130          HG21      ILE 130   0.515  -4.827 -11.211
  981   HG22  ILE 130          HG22      ILE 130   1.004  -5.442  -9.614
  982   HG23  ILE 130          HG23      ILE 130  -0.644  -5.692 -10.175
  983   HD11  ILE 130          HD11      ILE 130   2.933  -2.159  -9.393
  984   HD12  ILE 130          HD12      ILE 130   2.257  -3.270  -8.183
  985   HD13  ILE 130          HD13      ILE 130   2.602  -3.826  -9.858
  986    H    SER 131           H        SER 131  -1.181  -0.684 -10.484
  987    HA   SER 131           HA       SER 131  -2.060   0.253  -7.916
  988    HB2  SER 131           HB2      SER 131  -0.778   1.602 -10.301
  989    HB3  SER 131           HB3      SER 131  -1.131   2.383  -8.741
  990    HG   SER 131           HG       SER 131   1.025   1.527  -8.779
  Start of MODEL   11
    1    H    MET   1           H        MET   1   1.120   0.256   0.648
    2    HA   MET   1           HA       MET   1   1.494   0.086  -1.742
    3    HB2  MET   1           HB2      MET   1   3.518   0.393   0.294
    4    HB3  MET   1           HB3      MET   1   4.235  -0.556  -1.009
    5    HG2  MET   1           HG2      MET   1   3.974   1.096  -2.591
    6    HG3  MET   1           HG3      MET   1   2.760   1.993  -1.654
    7    HE1  MET   1           HE1      MET   1   4.398   3.929  -2.750
    8    HE2  MET   1           HE2      MET   1   6.046   4.249  -2.141
    9    HE3  MET   1           HE3      MET   1   5.740   2.837  -3.165
   10    H    LYS   2           H        LYS   2   2.019  -1.221  -3.569
   11    HA   LYS   2           HA       LYS   2   2.187  -4.156  -3.132
   12    HB2  LYS   2           HB2      LYS   2   2.488  -2.776  -5.815
   13    HB3  LYS   2           HB3      LYS   2   1.970  -4.398  -5.479
   14    HG2  LYS   2           HG2      LYS   2  -0.154  -3.584  -4.500
   15    HG3  LYS   2           HG3      LYS   2   0.364  -1.912  -4.746
   16    HD2  LYS   2           HD2      LYS   2   0.620  -2.550  -7.252
   17    HD3  LYS   2           HD3      LYS   2  -0.402  -3.935  -6.865
   18    HE2  LYS   2           HE2      LYS   2  -1.100  -1.009  -6.231
   19    HE3  LYS   2           HE3      LYS   2  -1.532  -1.793  -7.742
   20    HZ1  LYS   2           HZ1      LYS   2  -2.487  -2.692  -5.068
   21    HZ2  LYS   2           HZ2      LYS   2  -3.365  -1.880  -6.176
   22    HZ3  LYS   2           HZ3      LYS   2  -2.877  -3.397  -6.504
   23    H    LYS   3           H        LYS   3   4.213  -5.077  -2.685
   24    HA   LYS   3           HA       LYS   3   6.577  -3.384  -3.255
   25    HB2  LYS   3           HB2      LYS   3   6.566  -6.090  -1.930
   26    HB3  LYS   3           HB3      LYS   3   7.892  -4.929  -2.040
   27    HG2  LYS   3           HG2      LYS   3   6.510  -3.284  -0.749
   28    HG3  LYS   3           HG3      LYS   3   5.274  -4.539  -0.528
   29    HD2  LYS   3           HD2      LYS   3   6.938  -5.973   0.619
   30    HD3  LYS   3           HD3      LYS   3   8.170  -4.696   0.429
   31    HE2  LYS   3           HE2      LYS   3   6.700  -3.103   1.660
   32    HE3  LYS   3           HE3      LYS   3   5.481  -4.374   1.841
   33    HZ1  LYS   3           HZ1      LYS   3   7.208  -5.686   3.072
   34    HZ2  LYS   3           HZ2      LYS   3   8.193  -4.375   3.056
   35    HZ3  LYS   3           HZ3      LYS   3   6.764  -4.303   3.850
   36    H    VAL   4           H        VAL   4   8.026  -3.775  -4.788
   37    HA   VAL   4           HA       VAL   4   7.250  -5.739  -6.883
   38    HB   VAL   4           HB       VAL   4   8.655  -3.188  -7.490
   39   HG11  VAL   4          HG11      VAL   4   7.384  -3.316  -9.598
   40   HG12  VAL   4          HG12      VAL   4   8.225  -4.849  -9.309
   41   HG13  VAL   4          HG13      VAL   4   6.479  -4.696  -8.998
   42   HG21  VAL   4          HG21      VAL   4   6.813  -2.314  -6.126
   43   HG22  VAL   4          HG22      VAL   4   6.652  -1.911  -7.819
   44   HG23  VAL   4          HG23      VAL   4   5.649  -3.217  -7.124
   45    H    MET   5           H        MET   5   8.920  -6.714  -7.975
   46    HA   MET   5           HA       MET   5  11.754  -6.020  -7.417
   47    HB2  MET   5           HB2      MET   5  10.626  -8.853  -7.569
   48    HB3  MET   5           HB3      MET   5  12.330  -8.428  -7.530
   49    HG2  MET   5           HG2      MET   5  11.340  -7.198  -5.240
   50    HG3  MET   5           HG3      MET   5  10.391  -8.658  -5.323
   51    HE1  MET   5           HE1      MET   5  11.502  -8.988  -2.947
   52    HE2  MET   5           HE2      MET   5  13.223  -9.332  -2.658
   53    HE3  MET   5           HE3      MET   5  12.707  -7.685  -3.099
   54    H    PHE   6           H        PHE   6  13.057  -6.205  -9.289
   55    HA   PHE   6           HA       PHE   6  11.896  -7.444 -11.731
   56    HB2  PHE   6           HB2      PHE   6  13.436  -4.812 -11.557
   57    HB3  PHE   6           HB3      PHE   6  13.011  -5.645 -13.036
   58    HD1  PHE   6           HD2      PHE   6  11.650  -3.791 -10.144
   59    HD2  PHE   6           HD1      PHE   6  10.813  -5.445 -14.033
   60    HE1  PHE   6           HE2      PHE   6   9.525  -2.517 -10.225
   61    HE2  PHE   6           HE1      PHE   6   8.729  -4.095 -14.148
   62    HZ   PHE   6           HZ       PHE   6   8.068  -2.659 -12.237
   63    H    VAL   7           H        VAL   7  13.158  -9.328 -11.454
   64    HA   VAL   7           HA       VAL   7  16.106  -8.908 -11.087
   65    HB   VAL   7           HB       VAL   7  14.126 -10.637  -9.567
   66   HG11  VAL   7          HG11      VAL   7  16.092 -11.613  -8.342
   67   HG12  VAL   7          HG12      VAL   7  15.983 -12.149 -10.018
   68   HG13  VAL   7          HG13      VAL   7  17.170 -10.903  -9.574
   69   HG21  VAL   7          HG21      VAL   7  14.475  -8.360  -8.688
   70   HG22  VAL   7          HG22      VAL   7  15.112  -9.569  -7.588
   71   HG23  VAL   7          HG23      VAL   7  16.229  -8.633  -8.628
   72    H    CYS   8           H        CYS   8  17.325  -9.947 -12.481
   73    HA   CYS   8           HA       CYS   8  16.260 -12.201 -14.126
   74    HB2  CYS   8           HB2      CYS   8  17.118 -10.225 -15.325
   75    HB3  CYS   8           HB3      CYS   8  18.625 -10.321 -14.434
   76    H    LYS   9           H        LYS   9  18.482 -13.751 -14.518
   77    HA   LYS   9           HA       LYS   9  18.713 -15.192 -12.099
   78    HB2  LYS   9           HB2      LYS   9  19.051 -16.103 -14.388
   79    HB3  LYS   9           HB3      LYS   9  20.583 -15.223 -14.519
   80    HG2  LYS   9           HG2      LYS   9  21.508 -16.539 -12.636
   81    HG3  LYS   9           HG3      LYS   9  19.959 -17.379 -12.447
   82    HD2  LYS   9           HD2      LYS   9  20.186 -18.319 -14.731
   83    HD3  LYS   9           HD3      LYS   9  21.719 -17.439 -14.943
   84    HE2  LYS   9           HE2      LYS   9  22.672 -18.671 -12.983
   85    HE3  LYS   9           HE3      LYS   9  21.164 -19.585 -12.829
   86    HZ1  LYS   9           HZ1      LYS   9  22.979 -19.654 -15.184
   87    HZ2  LYS   9           HZ2      LYS   9  22.824 -20.834 -14.066
   88    HZ3  LYS   9           HZ3      LYS   9  21.578 -20.495 -15.056
   89    H    ARG  10           H        ARG  10  20.860 -12.699 -13.453
   90    HA   ARG  10           HA       ARG  10  22.162 -12.421 -10.773
   91    HB2  ARG  10           HB2      ARG  10  23.409 -12.131 -13.557
   92    HB3  ARG  10           HB3      ARG  10  24.110 -11.398 -12.115
   93    HG2  ARG  10           HG2      ARG  10  24.382 -13.598 -11.049
   94    HG3  ARG  10           HG3      ARG  10  23.597 -14.378 -12.428
   95    HD2  ARG  10           HD2      ARG  10  26.001 -14.639 -12.599
   96    HD3  ARG  10           HD3      ARG  10  25.409 -13.616 -13.916
   97    HE   ARG  10           HE       ARG  10  26.237 -11.962 -11.723
   98   HH11  ARG  10          HH21      ARG  10  27.697 -14.081 -14.181
   99   HH12  ARG  10          HH22      ARG  10  29.190 -13.209 -14.237
  100   HH21  ARG  10          HH11      ARG  10  28.162 -10.796 -11.822
  101   HH22  ARG  10          HH12      ARG  10  29.469 -11.285 -12.860
  102    H    ASN  11           H        ASN  11  22.785 -10.058 -10.430
  103    HA   ASN  11           HA       ASN  11  20.696  -8.253 -11.256
  104    HB2  ASN  11           HB2      ASN  11  22.166  -7.927  -9.220
  105    HB3  ASN  11           HB3      ASN  11  23.492  -7.487 -10.319
  106   HD21  ASN  11          HD22      ASN  11  23.576  -5.296 -11.016
  107   HD22  ASN  11          HD21      ASN  11  22.174  -4.242 -10.993
  108    H    SER  12           H        SER  12  23.803  -9.194 -12.717
  109    HA   SER  12           HA       SER  12  24.299  -7.133 -14.468
  110    HB2  SER  12           HB2      SER  12  24.678 -10.055 -15.195
  111    HB3  SER  12           HB3      SER  12  25.722  -8.665 -15.554
  112    HG   SER  12           HG       SER  12  26.632  -9.806 -13.861
  113    H    SER  13           H        SER  13  23.215  -6.323 -16.111
  114    HA   SER  13           HA       SER  13  21.934  -5.972 -17.874
  115    HB2  SER  13           HB2      SER  13  21.851  -8.960 -18.350
  116    HB3  SER  13           HB3      SER  13  21.565  -7.679 -19.524
  117    HG   SER  13           HG       SER  13  23.733  -8.538 -19.615
  118    H    ARG  14           H        ARG  14  19.818  -5.744 -18.546
  119    HA   ARG  14           HA       ARG  14  17.583  -5.677 -18.512
  120    HB2  ARG  14           HB2      ARG  14  17.502  -8.293 -16.974
  121    HB3  ARG  14           HB3      ARG  14  16.236  -7.601 -17.970
  122    HG2  ARG  14           HG2      ARG  14  18.776  -8.119 -19.447
  123    HG3  ARG  14           HG3      ARG  14  18.085  -9.547 -18.731
  124    HD2  ARG  14           HD2      ARG  14  16.316  -7.723 -20.379
  125    HD3  ARG  14           HD3      ARG  14  17.514  -8.743 -21.161
  126    HE   ARG  14           HE       ARG  14  15.459  -9.918 -19.305
  127   HH11  ARG  14          HH11      ARG  14  16.692  -9.783 -22.637
  128   HH12  ARG  14          HH12      ARG  14  16.323 -11.454 -22.972
  129   HH21  ARG  14          HH21      ARG  14  14.610 -11.889 -19.905
  130   HH22  ARG  14          HH22      ARG  14  14.949 -12.596 -21.476
  131    H    SER  15           H        SER  15  18.517  -6.931 -15.257
  132    HA   SER  15           HA       SER  15  16.471  -5.619 -13.854
  133    HB2  SER  15           HB2      SER  15  19.141  -6.337 -12.646
  134    HB3  SER  15           HB3      SER  15  17.532  -6.428 -11.923
  135    HG   SER  15           HG       SER  15  18.883  -8.274 -13.440
  136    H    GLN  16           H        GLN  16  19.447  -4.212 -15.089
  137    HA   GLN  16           HA       GLN  16  19.677  -2.073 -13.266
  138    HB2  GLN  16           HB2      GLN  16  21.011  -0.951 -14.844
  139    HB3  GLN  16           HB3      GLN  16  21.447  -2.632 -14.619
  140    HG2  GLN  16           HG2      GLN  16  20.229  -3.086 -16.871
  141    HG3  GLN  16           HG3      GLN  16  20.207  -1.330 -17.089
  142   HE21  GLN  16          HE22      GLN  16  21.769  -3.342 -18.762
  143   HE22  GLN  16          HE21      GLN  16  23.434  -2.873 -18.538
  144    H    MET  17           H        MET  17  18.012  -1.924 -16.487
  145    HA   MET  17           HA       MET  17  17.126   0.747 -15.845
  146    HB2  MET  17           HB2      MET  17  17.840   0.056 -18.080
  147    HB3  MET  17           HB3      MET  17  16.528  -1.104 -18.165
  148    HG2  MET  17           HG2      MET  17  15.901   0.660 -19.464
  149    HG3  MET  17           HG3      MET  17  14.885   0.780 -18.038
  150    HE1  MET  17           HE1      MET  17  16.242   4.307 -16.570
  151    HE2  MET  17           HE2      MET  17  15.146   2.948 -16.219
  152    HE3  MET  17           HE3      MET  17  16.920   2.796 -15.990
  153    H    ALA  18           H        ALA  18  15.595  -2.422 -15.814
  154    HA   ALA  18           HA       ALA  18  12.899  -1.553 -15.900
  155    HB1  ALA  18           HB1      ALA  18  12.341  -3.821 -15.183
  156    HB2  ALA  18           HB2      ALA  18  13.655  -3.869 -16.375
  157    HB3  ALA  18           HB3      ALA  18  14.018  -4.072 -14.636
  158    H    GLU  19           H        GLU  19  14.719  -2.405 -12.865
  159    HA   GLU  19           HA       GLU  19  12.612  -1.364 -11.207
  160    HB2  GLU  19           HB2      GLU  19  14.210  -1.505  -9.384
  161    HB3  GLU  19           HB3      GLU  19  14.306  -2.920 -10.423
  162    HG2  GLU  19           HG2      GLU  19  16.485  -2.642 -10.265
  163    HG3  GLU  19           HG3      GLU  19  16.309  -1.428 -11.526
  164    H    GLY  20           H        GLY  20  15.356   0.062 -12.853
  165    HA2  GLY  20           HA2      GLY  20  15.626   2.600 -11.845
  166    HA3  GLY  20           HA3      GLY  20  15.765   2.181 -13.561
  167    H    PHE  21           H        PHE  21  13.299   1.653 -14.500
  168    HA   PHE  21           HA       PHE  21  11.990   4.232 -14.299
  169    HB2  PHE  21           HB2      PHE  21  11.461   1.665 -15.800
  170    HB3  PHE  21           HB3      PHE  21  10.156   2.822 -15.630
  171    HD1  PHE  21           HD2      PHE  21  10.839   5.402 -15.971
  172    HD2  PHE  21           HD1      PHE  21  12.839   1.955 -17.652
  173    HE1  PHE  21           HE2      PHE  21  11.658   6.781 -17.886
  174    HE2  PHE  21           HE1      PHE  21  13.676   3.309 -19.508
  175    HZ   PHE  21           HZ       PHE  21  13.044   5.749 -19.670
  176    H    ALA  22           H        ALA  22  11.369   1.111 -12.707
  177    HA   ALA  22           HA       ALA  22   8.624   1.696 -12.335
  178    HB1  ALA  22           HB1      ALA  22   8.690  -0.161 -10.673
  179    HB2  ALA  22           HB2      ALA  22   9.547  -0.554 -12.190
  180    HB3  ALA  22           HB3      ALA  22  10.475  -0.133 -10.740
  181    H    LYS  23           H        LYS  23  11.446   2.621 -10.313
  182    HA   LYS  23           HA       LYS  23   9.833   3.673  -8.172
  183    HB2  LYS  23           HB2      LYS  23  11.790   4.914  -7.477
  184    HB3  LYS  23           HB3      LYS  23  12.323   3.356  -8.095
  185    HG2  LYS  23           HG2      LYS  23  12.539   4.748 -10.379
  186    HG3  LYS  23           HG3      LYS  23  12.542   6.136  -9.330
  187    HD2  LYS  23           HD2      LYS  23  14.759   5.430 -10.098
  188    HD3  LYS  23           HD3      LYS  23  14.631   5.419  -8.312
  189    HE2  LYS  23           HE2      LYS  23  14.218   2.913  -8.435
  190    HE3  LYS  23           HE3      LYS  23  14.444   3.002 -10.180
  191    HZ1  LYS  23           HZ1      LYS  23  16.493   3.527  -8.095
  192    HZ2  LYS  23           HZ2      LYS  23  16.418   2.260  -9.154
  193    HZ3  LYS  23           HZ3      LYS  23  16.766   3.786  -9.698
  194    H    THR  24           H        THR  24  10.669   5.053 -11.360
  195    HA   THR  24           HA       THR  24   9.753   7.677 -10.804
  196    HB   THR  24           HB       THR  24  10.691   6.087 -13.165
  197    HG1  THR  24           HG1      THR  24  11.736   8.382 -11.842
  198   HG21  THR  24          HG21      THR  24   9.139   7.479 -14.211
  199   HG22  THR  24          HG22      THR  24   9.659   8.916 -13.278
  200   HG23  THR  24          HG23      THR  24  10.748   8.164 -14.485
  201    H    LEU  25           H        LEU  25   8.445   5.020 -12.777
  202    HA   LEU  25           HA       LEU  25   6.005   6.436 -13.404
  203    HB2  LEU  25           HB2      LEU  25   6.795   3.507 -13.658
  204    HB3  LEU  25           HB3      LEU  25   5.351   4.212 -14.396
  205    HG   LEU  25           HG       LEU  25   8.214   5.065 -15.025
  206   HD11  LEU  25          HD11      LEU  25   7.864   3.742 -17.130
  207   HD12  LEU  25          HD12      LEU  25   7.942   2.778 -15.655
  208   HD13  LEU  25          HD13      LEU  25   6.373   3.087 -16.406
  209   HD21  LEU  25          HD21      LEU  25   6.580   6.829 -15.571
  210   HD22  LEU  25          HD22      LEU  25   7.203   6.090 -17.046
  211   HD23  LEU  25          HD23      LEU  25   5.580   5.657 -16.457
  212    H    GLY  26           H        GLY  26   6.933   4.012 -10.963
  213    HA2  GLY  26           HA2      GLY  26   4.174   3.567 -10.080
  214    HA3  GLY  26           HA3      GLY  26   5.653   2.737  -9.571
  215    H    ALA  27           H        ALA  27   6.207   6.074  -9.480
  216    HA   ALA  27           HA       ALA  27   6.853   6.221  -6.831
  217    HB1  ALA  27           HB1      ALA  27   7.463   7.919  -8.545
  218    HB2  ALA  27           HB2      ALA  27   5.780   8.480  -8.585
  219    HB3  ALA  27           HB3      ALA  27   6.750   8.674  -7.112
  220    H    GLY  28           H        GLY  28   5.772   6.247  -4.950
  221    HA2  GLY  28           HA2      GLY  28   4.187   6.691  -3.365
  222    HA3  GLY  28           HA3      GLY  28   3.261   7.611  -4.555
  223    H    LYS  29           H        LYS  29   3.554   4.749  -6.148
  224    HA   LYS  29           HA       LYS  29   0.993   3.691  -5.012
  225    HB2  LYS  29           HB2      LYS  29   2.254   3.182  -7.741
  226    HB3  LYS  29           HB3      LYS  29   0.685   2.595  -7.175
  227    HG2  LYS  29           HG2      LYS  29  -0.108   4.941  -6.954
  228    HG3  LYS  29           HG3      LYS  29   1.459   5.529  -7.535
  229    HD2  LYS  29           HD2      LYS  29   1.120   4.227  -9.662
  230    HD3  LYS  29           HD3      LYS  29  -0.511   3.821  -9.122
  231    HE2  LYS  29           HE2      LYS  29   0.576   6.655  -9.510
  232    HE3  LYS  29           HE3      LYS  29  -0.355   5.769 -10.719
  233    HZ1  LYS  29           HZ1      LYS  29  -1.373   6.589  -8.051
  234    HZ2  LYS  29           HZ2      LYS  29  -1.767   7.262  -9.481
  235    HZ3  LYS  29           HZ3      LYS  29  -2.233   5.731  -9.160
  236    H    ILE  30           H        ILE  30   4.228   2.614  -6.201
  237    HA   ILE  30           HA       ILE  30   3.903   0.102  -4.624
  238    HB   ILE  30           HB       ILE  30   4.539  -1.222  -6.542
  239   HG12  ILE  30          HG12      ILE  30   4.491   1.355  -8.169
  240   HG13  ILE  30          HG13      ILE  30   5.930   0.406  -7.788
  241   HG21  ILE  30          HG21      ILE  30   2.093  -0.576  -6.104
  242   HG22  ILE  30          HG22      ILE  30   2.244   0.548  -7.465
  243   HG23  ILE  30          HG23      ILE  30   2.473  -1.187  -7.724
  244   HD11  ILE  30          HD11      ILE  30   5.360  -0.154 -10.015
  245   HD12  ILE  30          HD12      ILE  30   4.807  -1.538  -9.062
  246   HD13  ILE  30          HD13      ILE  30   3.631  -0.344  -9.641
  247    H    ALA  31           H        ALA  31   5.845  -0.993  -4.122
  248    HA   ALA  31           HA       ALA  31   8.075   0.961  -3.712
  249    HB1  ALA  31           HB1      ALA  31   8.411  -0.246  -1.599
  250    HB2  ALA  31           HB2      ALA  31   6.728   0.341  -1.717
  251    HB3  ALA  31           HB3      ALA  31   7.111  -1.378  -2.004
  252    H    VAL  32           H        VAL  32   9.639   0.421  -5.236
  253    HA   VAL  32           HA       VAL  32  10.053  -2.385  -6.033
  254    HB   VAL  32           HB       VAL  32  11.614   0.099  -6.859
  255   HG11  VAL  32          HG11      VAL  32  10.989  -2.557  -8.224
  256   HG12  VAL  32          HG12      VAL  32  11.850  -1.192  -8.981
  257   HG13  VAL  32          HG13      VAL  32  12.564  -2.019  -7.592
  258   HG21  VAL  32          HG21      VAL  32   9.196   0.641  -7.217
  259   HG22  VAL  32          HG22      VAL  32  10.114   0.483  -8.678
  260   HG23  VAL  32          HG23      VAL  32   9.033  -0.849  -8.179
  261    H    THR  33           H        THR  33  11.539  -3.709  -5.217
  262    HA   THR  33           HA       THR  33  14.114  -2.686  -4.285
  263    HB   THR  33           HB       THR  33  12.479  -4.813  -2.882
  264    HG1  THR  33           HG1      THR  33  11.961  -3.395  -1.300
  265   HG21  THR  33          HG21      THR  33  15.050  -3.393  -2.006
  266   HG22  THR  33          HG22      THR  33  14.171  -4.619  -1.057
  267   HG23  THR  33          HG23      THR  33  14.924  -5.066  -2.588
  268    H    SER  34           H        SER  34  15.403  -3.720  -5.900
  269    HA   SER  34           HA       SER  34  14.489  -6.449  -6.727
  270    HB2  SER  34           HB2      SER  34  16.094  -4.403  -8.289
  271    HB3  SER  34           HB3      SER  34  15.664  -6.043  -8.833
  272    HG   SER  34           HG       SER  34  13.902  -3.890  -8.144
  273    H    SER  35           H        SER  35  15.357  -7.275  -4.789
  274    HA   SER  35           HA       SER  35  17.852  -6.815  -3.813
  275    HB2  SER  35           HB2      SER  35  16.319  -9.397  -3.508
  276    HB3  SER  35           HB3      SER  35  17.382  -8.617  -2.318
  277    HG   SER  35           HG       SER  35  15.338  -7.984  -1.739
  278    H    GLY  36           H        GLY  36  17.050  -9.498  -6.075
  279    HA2  GLY  36           HA2      GLY  36  18.559 -10.163  -7.773
  280    HA3  GLY  36           HA3      GLY  36  19.931  -9.582  -6.821
  281    H    LEU  37           H        LEU  37  19.115 -12.296  -7.977
  282    HA   LEU  37           HA       LEU  37  18.788 -14.064  -5.713
  283    HB2  LEU  37           HB2      LEU  37  19.278 -14.302  -8.673
  284    HB3  LEU  37           HB3      LEU  37  19.330 -15.741  -7.646
  285    HG   LEU  37           HG       LEU  37  16.929 -13.886  -7.548
  286   HD11  LEU  37          HD11      LEU  37  17.306 -14.381  -9.943
  287   HD12  LEU  37          HD12      LEU  37  17.397 -16.116  -9.586
  288   HD13  LEU  37          HD13      LEU  37  15.869 -15.227  -9.355
  289   HD21  LEU  37          HD21      LEU  37  17.171 -16.926  -7.260
  290   HD22  LEU  37          HD22      LEU  37  17.216 -15.824  -5.893
  291   HD23  LEU  37          HD23      LEU  37  15.740 -15.947  -6.876
  292    H    GLU  38           H        GLU  38  21.304 -12.723  -7.729
  293    HA   GLU  38           HA       GLU  38  23.357 -13.278  -5.767
  294    HB2  GLU  38           HB2      GLU  38  23.452 -14.005  -8.716
  295    HB3  GLU  38           HB3      GLU  38  24.918 -13.472  -7.850
  296    HG2  GLU  38           HG2      GLU  38  24.572 -15.224  -6.161
  297    HG3  GLU  38           HG3      GLU  38  23.171 -15.830  -7.063
  298    H    SER  39           H        SER  39  25.053 -11.637  -6.017
  299    HA   SER  39           HA       SER  39  23.914  -9.257  -7.320
  300    HB2  SER  39           HB2      SER  39  25.069  -7.984  -5.563
  301    HB3  SER  39           HB3      SER  39  23.832  -9.148  -4.981
  302    HG   SER  39           HG       SER  39  25.736  -9.257  -3.685
  303    H    SER  40           H        SER  40  25.113  -7.690  -8.122
  304    HA   SER  40           HA       SER  40  27.751  -7.889  -9.186
  305    HB2  SER  40           HB2      SER  40  25.302  -8.847 -10.724
  306    HB3  SER  40           HB3      SER  40  26.729  -8.191 -11.580
  307    HG   SER  40           HG       SER  40  27.032 -10.242  -9.652
  308    H    ARG  41           H        ARG  41  27.841  -5.910 -10.752
  309    HA   ARG  41           HA       ARG  41  26.064  -3.857  -9.548
  310    HB2  ARG  41           HB2      ARG  41  28.689  -3.873  -9.509
  311    HB3  ARG  41           HB3      ARG  41  28.552  -3.249 -11.147
  312    HG2  ARG  41           HG2      ARG  41  28.947  -1.492  -9.508
  313    HG3  ARG  41           HG3      ARG  41  27.412  -1.241 -10.303
  314    HD2  ARG  41           HD2      ARG  41  26.258  -2.219  -8.263
  315    HD3  ARG  41           HD3      ARG  41  27.833  -2.345  -7.485
  316    HE   ARG  41           HE       ARG  41  26.276   0.101  -8.158
  317   HH11  ARG  41          HH11      ARG  41  29.279  -1.163  -6.697
  318   HH12  ARG  41          HH12      ARG  41  29.675   0.336  -5.938
  319   HH21  ARG  41          HH21      ARG  41  26.791   2.014  -7.188
  320   HH22  ARG  41          HH22      ARG  41  28.209   2.202  -6.206
  321    H    VAL  42           H        VAL  42  26.687  -2.012 -11.672
  322    HA   VAL  42           HA       VAL  42  24.638  -2.700 -13.709
  323    HB   VAL  42           HB       VAL  42  23.338  -1.690 -12.085
  324   HG11  VAL  42          HG11      VAL  42  25.597   0.226 -11.379
  325   HG12  VAL  42          HG12      VAL  42  23.938   0.324 -10.735
  326   HG13  VAL  42          HG13      VAL  42  24.922  -1.080 -10.368
  327   HG21  VAL  42          HG21      VAL  42  24.285   0.775 -13.584
  328   HG22  VAL  42          HG22      VAL  42  23.113  -0.412 -14.202
  329   HG23  VAL  42          HG23      VAL  42  22.726   0.541 -12.764
  330    H    HIS  43           H        HIS  43  24.757  -1.141 -15.575
  331    HA   HIS  43           HA       HIS  43  27.627  -1.034 -16.194
  332    HB2  HIS  43           HB2      HIS  43  25.166  -0.811 -17.950
  333    HB3  HIS  43           HB3      HIS  43  26.821  -0.724 -18.550
  334    HD1  HIS  43           HD1      HIS  43  24.651  -3.288 -16.561
  335    HD2  HIS  43           HD2      HIS  43  28.004  -2.975 -19.088
  336    HE1  HIS  43           HE1      HIS  43  25.455  -5.680 -17.014
  337    HA   PRO  44           HA       PRO  44  28.163   3.279 -15.675
  338    HB2  PRO  44           HB2      PRO  44  30.144   3.896 -17.502
  339    HB3  PRO  44           HB3      PRO  44  30.423   2.986 -15.985
  340    HG2  PRO  44           HG2      PRO  44  29.980   1.856 -18.772
  341    HG3  PRO  44           HG3      PRO  44  31.263   1.432 -17.594
  342    HD2  PRO  44           HD2      PRO  44  29.051  -0.081 -17.823
  343    HD3  PRO  44           HD3      PRO  44  29.725   0.274 -16.203
  344    H    THR  45           H        THR  45  28.044   2.391 -19.200
  345    HA   THR  45           HA       THR  45  26.989   4.894 -19.994
  346    HB   THR  45           HB       THR  45  26.705   2.287 -21.407
  347    HG1  THR  45           HG1      THR  45  28.787   2.640 -22.206
  348   HG21  THR  45          HG21      THR  45  26.947   3.682 -23.465
  349   HG22  THR  45          HG22      THR  45  25.537   4.157 -22.514
  350   HG23  THR  45          HG23      THR  45  27.017   5.141 -22.447
  351    H    ALA  46           H        ALA  46  25.389   1.995 -18.655
  352    HA   ALA  46           HA       ALA  46  22.726   2.809 -19.354
  353    HB1  ALA  46           HB1      ALA  46  23.271   0.525 -18.318
  354    HB2  ALA  46           HB2      ALA  46  23.538   1.367 -16.752
  355    HB3  ALA  46           HB3      ALA  46  21.959   1.401 -17.505
  356    H    ILE  47           H        ILE  47  24.761   3.368 -16.459
  357    HA   ILE  47           HA       ILE  47  22.816   4.925 -15.136
  358    HB   ILE  47           HB       ILE  47  25.885   5.009 -15.038
  359   HG12  ILE  47          HG12      ILE  47  24.059   3.807 -12.937
  360   HG13  ILE  47          HG13      ILE  47  24.538   2.881 -14.342
  361   HG21  ILE  47          HG21      ILE  47  25.187   7.131 -14.133
  362   HG22  ILE  47          HG22      ILE  47  23.906   6.371 -13.175
  363   HG23  ILE  47          HG23      ILE  47  25.614   6.102 -12.761
  364   HD11  ILE  47          HD11      ILE  47  26.035   2.350 -12.524
  365   HD12  ILE  47          HD12      ILE  47  26.937   3.214 -13.770
  366   HD13  ILE  47          HD13      ILE  47  26.448   4.057 -12.282
  367    H    ALA  48           H        ALA  48  25.342   5.935 -17.474
  368    HA   ALA  48           HA       ALA  48  24.790   8.703 -17.288
  369    HB1  ALA  48           HB1      ALA  48  26.821   7.802 -18.389
  370    HB2  ALA  48           HB2      ALA  48  25.822   7.126 -19.697
  371    HB3  ALA  48           HB3      ALA  48  25.936   8.884 -19.482
  372    H    MET  49           H        MET  49  23.392   6.270 -19.572
  373    HA   MET  49           HA       MET  49  21.727   8.174 -20.952
  374    HB2  MET  49           HB2      MET  49  21.556   5.143 -20.581
  375    HB3  MET  49           HB3      MET  49  20.530   6.054 -21.696
  376    HG2  MET  49           HG2      MET  49  23.576   6.025 -21.802
  377    HG3  MET  49           HG3      MET  49  22.561   4.976 -22.743
  378    HE1  MET  49           HE1      MET  49  24.869   7.094 -23.570
  379    HE2  MET  49           HE2      MET  49  24.293   8.696 -24.102
  380    HE3  MET  49           HE3      MET  49  24.266   8.267 -22.371
  381    H    MET  50           H        MET  50  21.306   6.179 -18.067
  382    HA   MET  50           HA       MET  50  18.457   6.598 -17.961
  383    HB2  MET  50           HB2      MET  50  20.329   5.357 -15.931
  384    HB3  MET  50           HB3      MET  50  18.570   5.315 -15.892
  385    HG2  MET  50           HG2      MET  50  20.390   3.518 -17.199
  386    HG3  MET  50           HG3      MET  50  18.700   3.347 -16.959
  387    HE1  MET  50           HE1      MET  50  19.355   2.142 -20.713
  388    HE2  MET  50           HE2      MET  50  20.437   1.943 -19.324
  389    HE3  MET  50           HE3      MET  50  18.699   1.661 -19.135
  390    H    GLU  51           H        GLU  51  21.366   8.122 -16.559
  391    HA   GLU  51           HA       GLU  51  19.885   9.901 -14.892
  392    HB2  GLU  51           HB2      GLU  51  22.226   9.323 -14.449
  393    HB3  GLU  51           HB3      GLU  51  22.721  10.066 -15.986
  394    HG2  GLU  51           HG2      GLU  51  22.051  12.268 -15.173
  395    HG3  GLU  51           HG3      GLU  51  21.349  11.558 -13.714
  396    H    GLU  52           H        GLU  52  20.574   9.732 -18.349
  397    HA   GLU  52           HA       GLU  52  20.010  12.521 -18.777
  398    HB2  GLU  52           HB2      GLU  52  20.029  10.214 -20.740
  399    HB3  GLU  52           HB3      GLU  52  19.501  11.815 -21.186
  400    HG2  GLU  52           HG2      GLU  52  22.220  11.305 -19.932
  401    HG3  GLU  52           HG3      GLU  52  21.932  11.239 -21.663
  402    H    VAL  53           H        VAL  53  18.028   9.626 -18.363
  403    HA   VAL  53           HA       VAL  53  15.613  11.347 -18.663
  404    HB   VAL  53           HB       VAL  53  15.618   9.134 -19.696
  405   HG11  VAL  53          HG11      VAL  53  16.664   7.706 -18.107
  406   HG12  VAL  53          HG12      VAL  53  15.475   8.091 -16.852
  407   HG13  VAL  53          HG13      VAL  53  14.998   7.145 -18.271
  408   HG21  VAL  53          HG21      VAL  53  13.354   9.451 -17.717
  409   HG22  VAL  53          HG22      VAL  53  13.531  10.387 -19.220
  410   HG23  VAL  53          HG23      VAL  53  13.325   8.629 -19.285
  411    H    GLY  54           H        GLY  54  17.840  11.324 -16.428
  412    HA2  GLY  54           HA2      GLY  54  17.841  12.327 -14.390
  413    HA3  GLY  54           HA3      GLY  54  16.077  12.430 -14.442
  414    H    ILE  55           H        ILE  55  17.451   9.229 -14.848
  415    HA   ILE  55           HA       ILE  55  16.327   8.476 -12.216
  416    HB   ILE  55           HB       ILE  55  16.655   7.045 -14.798
  417   HG12  ILE  55          HG12      ILE  55  14.336   7.957 -13.063
  418   HG13  ILE  55          HG13      ILE  55  14.718   8.449 -14.705
  419   HG21  ILE  55          HG21      ILE  55  17.301   5.420 -13.057
  420   HG22  ILE  55          HG22      ILE  55  15.773   5.742 -12.202
  421   HG23  ILE  55          HG23      ILE  55  15.784   4.987 -13.813
  422   HD11  ILE  55          HD11      ILE  55  14.208   6.017 -15.396
  423   HD12  ILE  55          HD12      ILE  55  13.569   5.846 -13.730
  424   HD13  ILE  55          HD13      ILE  55  12.838   7.007 -14.849
  425    H    ASP  56           H        ASP  56  17.430   7.327 -10.713
  426    HA   ASP  56           HA       ASP  56  20.364   6.946 -11.057
  427    HB2  ASP  56           HB2      ASP  56  19.672   8.134  -9.034
  428    HB3  ASP  56           HB3      ASP  56  18.572   6.822  -8.606
  429    H    ILE  57           H        ILE  57  21.174   4.889 -11.130
  430    HA   ILE  57           HA       ILE  57  19.552   2.592 -10.304
  431    HB   ILE  57           HB       ILE  57  20.417   1.277 -12.338
  432   HG12  ILE  57          HG12      ILE  57  20.372   4.002 -13.716
  433   HG13  ILE  57          HG13      ILE  57  21.861   3.226 -13.175
  434   HG21  ILE  57          HG21      ILE  57  18.082   1.604 -11.934
  435   HG22  ILE  57          HG22      ILE  57  18.131   3.262 -12.614
  436   HG23  ILE  57          HG23      ILE  57  18.383   1.858 -13.653
  437   HD11  ILE  57          HD11      ILE  57  21.355   1.253 -14.609
  438   HD12  ILE  57          HD12      ILE  57  19.941   2.110 -15.252
  439   HD13  ILE  57          HD13      ILE  57  21.576   2.760 -15.494
  440    H    SER  58           H        SER  58  22.677   3.956 -11.223
  441    HA   SER  58           HA       SER  58  24.700   2.575 -10.620
  442    HB2  SER  58           HB2      SER  58  24.290   4.924  -8.803
  443    HB3  SER  58           HB3      SER  58  25.637   4.575  -9.903
  444    HG   SER  58           HG       SER  58  24.217   6.337 -10.539
  445    H    GLY  59           H        GLY  59  22.365   3.108  -7.959
  446    HA2  GLY  59           HA2      GLY  59  24.165   1.814  -5.998
  447    HA3  GLY  59           HA3      GLY  59  22.729   2.769  -5.661
  448    H    GLN  60           H        GLN  60  22.654   0.059  -8.034
  449    HA   GLN  60           HA       GLN  60  20.351  -1.040  -6.875
  450    HB2  GLN  60           HB2      GLN  60  22.391  -2.668  -8.454
  451    HB3  GLN  60           HB3      GLN  60  20.683  -3.023  -8.218
  452    HG2  GLN  60           HG2      GLN  60  20.340  -0.637  -9.342
  453    HG3  GLN  60           HG3      GLN  60  21.955  -0.991 -10.007
  454   HE21  GLN  60          HE22      GLN  60  18.575  -1.861  -9.962
  455   HE22  GLN  60          HE21      GLN  60  18.595  -2.875 -11.399
  456    H    THR  61           H        THR  61  23.710  -1.758  -6.033
  457    HA   THR  61           HA       THR  61  23.170  -4.369  -5.115
  458    HB   THR  61           HB       THR  61  25.604  -3.890  -4.050
  459    HG1  THR  61           HG1      THR  61  25.787  -1.717  -4.514
  460   HG21  THR  61          HG21      THR  61  26.538  -4.536  -6.254
  461   HG22  THR  61          HG22      THR  61  25.092  -5.483  -5.847
  462   HG23  THR  61          HG23      THR  61  24.979  -4.158  -7.028
  463    H    SER  62           H        SER  62  22.408  -5.101  -3.263
  464    HA   SER  62           HA       SER  62  22.311  -3.576  -0.760
  465    HB2  SER  62           HB2      SER  62  19.889  -4.351  -2.467
  466    HB3  SER  62           HB3      SER  62  19.793  -3.826  -0.777
  467    HG   SER  62           HG       SER  62  19.398  -2.099  -2.241
  468    H    ASP  63           H        ASP  63  20.501  -5.228   0.535
  469    HA   ASP  63           HA       ASP  63  21.715  -7.696   1.067
  470    HB2  ASP  63           HB2      ASP  63  18.913  -6.610   1.346
  471    HB3  ASP  63           HB3      ASP  63  19.212  -8.319   1.647
  472    HA   PRO  64           HA       PRO  64  20.380 -10.111  -2.539
  473    HB2  PRO  64           HB2      PRO  64  20.752 -12.655  -1.632
  474    HB3  PRO  64           HB3      PRO  64  22.126 -11.558  -1.975
  475    HG2  PRO  64           HG2      PRO  64  20.813 -12.108   0.714
  476    HG3  PRO  64           HG3      PRO  64  22.559 -12.156   0.309
  477    HD2  PRO  64           HD2      PRO  64  21.376  -9.956   1.423
  478    HD3  PRO  64           HD3      PRO  64  22.697  -9.802   0.223
  479    H    ILE  65           H        ILE  65  18.602 -11.554  -3.126
  480    HA   ILE  65           HA       ILE  65  16.166 -10.969  -1.826
  481    HB   ILE  65           HB       ILE  65  16.694 -11.622  -4.223
  482   HG12  ILE  65          HG12      ILE  65  14.287 -12.992  -3.032
  483   HG13  ILE  65          HG13      ILE  65  14.407 -11.258  -3.332
  484   HG21  ILE  65          HG21      ILE  65  16.285 -14.488  -3.311
  485   HG22  ILE  65          HG22      ILE  65  16.646 -13.878  -4.935
  486   HG23  ILE  65          HG23      ILE  65  17.876 -13.782  -3.670
  487   HD11  ILE  65          HD11      ILE  65  13.218 -12.200  -5.187
  488   HD12  ILE  65          HD12      ILE  65  14.832 -11.789  -5.783
  489   HD13  ILE  65          HD13      ILE  65  14.417 -13.484  -5.406
  490    H    GLU  66           H        GLU  66  18.522 -13.409  -0.974
  491    HA   GLU  66           HA       GLU  66  16.818 -15.407  -0.035
  492    HB2  GLU  66           HB2      GLU  66  19.076 -15.832  -0.723
  493    HB3  GLU  66           HB3      GLU  66  19.709 -14.496   0.263
  494    HG2  GLU  66           HG2      GLU  66  19.327 -15.623   2.258
  495    HG3  GLU  66           HG3      GLU  66  18.404 -16.920   1.460
  496    H    ASN  67           H        ASN  67  18.018 -12.369   1.288
  497    HA   ASN  67           HA       ASN  67  17.356 -12.989   4.044
  498    HB2  ASN  67           HB2      ASN  67  18.357 -10.490   2.646
  499    HB3  ASN  67           HB3      ASN  67  17.911 -10.500   4.343
  500   HD21  ASN  67          HD22      ASN  67  20.449  -9.762   4.004
  501   HD22  ASN  67          HD21      ASN  67  21.544 -11.070   4.409
  502    H    PHE  68           H        PHE  68  15.369 -12.416   1.482
  503    HA   PHE  68           HA       PHE  68  13.335 -10.890   3.048
  504    HB2  PHE  68           HB2      PHE  68  13.797 -11.160   0.042
  505    HB3  PHE  68           HB3      PHE  68  12.346 -10.473   0.743
  506    HD1  PHE  68           HD2      PHE  68  12.357  -8.434   2.023
  507    HD2  PHE  68           HD1      PHE  68  15.915  -9.908   0.139
  508    HE1  PHE  68           HE2      PHE  68  13.402  -6.156   2.225
  509    HE2  PHE  68           HE1      PHE  68  16.970  -7.651   0.311
  510    HZ   PHE  68           HZ       PHE  68  15.705  -5.775   1.351
  511    H    ASN  69           H        ASN  69  11.040 -11.499   2.088
  512    HA   ASN  69           HA       ASN  69  10.875 -14.328   1.528
  513    HB2  ASN  69           HB2      ASN  69  10.172 -13.851   3.976
  514    HB3  ASN  69           HB3      ASN  69   8.839 -12.909   3.262
  515   HD21  ASN  69          HD22      ASN  69   8.337 -15.103   5.012
  516   HD22  ASN  69          HD21      ASN  69   7.572 -16.363   4.066
  517    H    ALA  70           H        ALA  70   9.185 -14.782  -0.042
  518    HA   ALA  70           HA       ALA  70   8.674 -12.419  -1.597
  519    HB1  ALA  70           HB1      ALA  70   7.583 -15.178  -2.233
  520    HB2  ALA  70           HB2      ALA  70   8.081 -13.906  -3.360
  521    HB3  ALA  70           HB3      ALA  70   9.300 -14.864  -2.492
  522    H    ASP  71           H        ASP  71   7.133 -14.530   0.732
  523    HA   ASP  71           HA       ASP  71   4.518 -14.065  -0.103
  524    HB2  ASP  71           HB2      ASP  71   5.142 -15.870   1.461
  525    HB3  ASP  71           HB3      ASP  71   5.603 -14.673   2.680
  526    H    ASP  72           H        ASP  72   6.774 -11.961   1.535
  527    HA   ASP  72           HA       ASP  72   4.819 -10.186   2.709
  528    HB2  ASP  72           HB2      ASP  72   7.124 -10.491   3.631
  529    HB3  ASP  72           HB3      ASP  72   7.761  -9.778   2.132
  530    H    TYR  73           H        TYR  73   6.428 -10.657  -0.336
  531    HA   TYR  73           HA       TYR  73   6.003  -7.977  -1.327
  532    HB2  TYR  73           HB2      TYR  73   7.387 -10.431  -2.393
  533    HB3  TYR  73           HB3      TYR  73   6.897  -9.167  -3.506
  534    HD1  TYR  73           HD2      TYR  73   8.670  -9.493  -0.186
  535    HD2  TYR  73           HD1      TYR  73   8.389  -7.419  -3.962
  536    HE1  TYR  73           HE2      TYR  73  10.487  -8.001   0.518
  537    HE2  TYR  73           HE1      TYR  73  10.247  -5.925  -3.271
  538    HH   TYR  73           HH       TYR  73  11.806  -6.175  -0.023
  539    H    ASP  74           H        ASP  74   5.034  -7.789  -3.617
  540    HA   ASP  74           HA       ASP  74   2.456  -9.315  -3.709
  541    HB2  ASP  74           HB2      ASP  74   2.080  -6.998  -2.996
  542    HB3  ASP  74           HB3      ASP  74   2.937  -6.416  -4.433
  543    H    VAL  75           H        VAL  75   5.049  -7.661  -5.607
  544    HA   VAL  75           HA       VAL  75   4.263  -9.267  -7.961
  545    HB   VAL  75           HB       VAL  75   3.201  -7.319  -8.436
  546   HG11  VAL  75          HG11      VAL  75   3.613  -5.856  -6.637
  547   HG12  VAL  75          HG12      VAL  75   5.279  -5.615  -7.154
  548   HG13  VAL  75          HG13      VAL  75   3.953  -5.003  -8.145
  549   HG21  VAL  75          HG21      VAL  75   5.963  -6.797  -9.585
  550   HG22  VAL  75          HG22      VAL  75   4.770  -7.918 -10.241
  551   HG23  VAL  75          HG23      VAL  75   4.414  -6.178 -10.206
  552    H    VAL  76           H        VAL  76   5.910 -10.126  -9.098
  553    HA   VAL  76           HA       VAL  76   8.651  -9.085  -8.707
  554    HB   VAL  76           HB       VAL  76   7.688 -11.916  -8.311
  555   HG11  VAL  76          HG11      VAL  76  10.073 -12.544  -7.888
  556   HG12  VAL  76          HG12      VAL  76   9.763 -12.066  -9.554
  557   HG13  VAL  76          HG13      VAL  76  10.582 -10.941  -8.449
  558   HG21  VAL  76          HG21      VAL  76   9.342 -10.336  -6.280
  559   HG22  VAL  76          HG22      VAL  76   7.574 -10.359  -6.243
  560   HG23  VAL  76          HG23      VAL  76   8.437 -11.850  -6.069
  561    H    ILE  77           H        ILE  77   9.475  -8.814 -10.690
  562    HA   ILE  77           HA       ILE  77   8.353 -10.320 -12.992
  563    HB   ILE  77           HB       ILE  77  10.426  -8.147 -13.060
  564   HG12  ILE  77          HG12      ILE  77   8.737  -6.912 -12.023
  565   HG13  ILE  77          HG13      ILE  77   8.650  -6.520 -13.728
  566   HG21  ILE  77          HG21      ILE  77   9.991  -7.921 -15.329
  567   HG22  ILE  77          HG22      ILE  77  10.035  -9.662 -15.064
  568   HG23  ILE  77          HG23      ILE  77   8.470  -8.841 -15.254
  569   HD11  ILE  77          HD11      ILE  77   6.477  -6.765 -12.455
  570   HD12  ILE  77          HD12      ILE  77   6.594  -7.549 -14.035
  571   HD13  ILE  77          HD13      ILE  77   6.724  -8.510 -12.526
  572    H    SER  78           H        SER  78   9.532 -12.045 -13.680
  573    HA   SER  78           HA       SER  78  12.301 -12.417 -12.668
  574    HB2  SER  78           HB2      SER  78  10.349 -14.286 -14.072
  575    HB3  SER  78           HB3      SER  78  11.993 -14.727 -13.563
  576    HG   SER  78           HG       SER  78  11.368 -14.451 -11.393
  577    H    LEU  79           H        LEU  79  13.310 -10.921 -14.000
  578    HA   LEU  79           HA       LEU  79  12.421 -10.279 -16.655
  579    HB2  LEU  79           HB2      LEU  79  14.947  -9.763 -15.049
  580    HB3  LEU  79           HB3      LEU  79  14.891  -9.293 -16.743
  581    HG   LEU  79           HG       LEU  79  12.838  -8.335 -14.728
  582   HD11  LEU  79          HD11      LEU  79  15.094  -7.618 -14.050
  583   HD12  LEU  79          HD12      LEU  79  15.418  -7.080 -15.715
  584   HD13  LEU  79          HD13      LEU  79  14.206  -6.246 -14.744
  585   HD21  LEU  79          HD21      LEU  79  12.449  -6.556 -16.408
  586   HD22  LEU  79          HD22      LEU  79  13.635  -7.319 -17.493
  587   HD23  LEU  79          HD23      LEU  79  12.105  -8.144 -17.097
  588    H    CYS  80           H        CYS  80  14.109 -13.066 -15.634
  589    HA   CYS  80           HA       CYS  80  14.588 -13.759 -18.415
  590    HB2  CYS  80           HB2      CYS  80  16.734 -14.136 -16.260
  591    HB3  CYS  80           HB3      CYS  80  16.873 -14.586 -17.955
  592    H    GLY  81           H        GLY  81  13.584 -15.750 -18.598
  593    HA2  GLY  81           HA2      GLY  81  12.759 -17.827 -18.100
  594    HA3  GLY  81           HA3      GLY  81  14.053 -17.963 -16.906
  595    H    SER  82           H        SER  82  12.696 -19.064 -15.430
  596    HA   SER  82           HA       SER  82  11.017 -17.258 -13.788
  597    HB2  SER  82           HB2      SER  82   9.374 -19.169 -13.506
  598    HB3  SER  82           HB3      SER  82   9.358 -18.351 -15.079
  599    HG   SER  82           HG       SER  82   9.322 -20.606 -15.380
  600    H    GLY  83           H        GLY  83  11.701 -20.759 -13.621
  601    HA2  GLY  83           HA2      GLY  83  12.593 -20.569 -10.869
  602    HA3  GLY  83           HA3      GLY  83  12.484 -22.024 -11.865
  603    H    VAL  84           H        VAL  84  14.405 -18.964 -12.057
  604    HA   VAL  84           HA       VAL  84  16.699 -20.442 -13.091
  605    HB   VAL  84           HB       VAL  84  17.699 -18.171 -13.340
  606   HG11  VAL  84          HG11      VAL  84  16.487 -19.322 -15.146
  607   HG12  VAL  84          HG12      VAL  84  14.967 -18.572 -14.607
  608   HG13  VAL  84          HG13      VAL  84  16.288 -17.566 -15.229
  609   HG21  VAL  84          HG21      VAL  84  14.934 -17.080 -12.617
  610   HG22  VAL  84          HG22      VAL  84  16.355 -16.956 -11.558
  611   HG23  VAL  84          HG23      VAL  84  16.355 -16.172 -13.143
  612    H    ASN  85           H        ASN  85  16.497 -21.642 -10.919
  613    HA   ASN  85           HA       ASN  85  17.406 -22.322  -8.975
  614    HB2  ASN  85           HB2      ASN  85  19.600 -22.121 -10.085
  615    HB3  ASN  85           HB3      ASN  85  19.721 -20.444  -9.540
  616   HD21  ASN  85          HD22      ASN  85  21.764 -21.238  -8.458
  617   HD22  ASN  85          HD21      ASN  85  21.629 -22.021  -6.905
  618    H    LEU  86           H        LEU  86  15.396 -21.107  -8.528
  619    HA   LEU  86           HA       LEU  86  15.745 -18.838  -6.658
  620    HB2  LEU  86           HB2      LEU  86  15.315 -17.690  -8.592
  621    HB3  LEU  86           HB3      LEU  86  14.380 -18.956  -9.330
  622    HG   LEU  86           HG       LEU  86  13.197 -17.508  -6.970
  623   HD11  LEU  86          HD11      LEU  86  13.895 -15.670  -8.357
  624   HD12  LEU  86          HD12      LEU  86  13.349 -16.496  -9.839
  625   HD13  LEU  86          HD13      LEU  86  12.175 -15.898  -8.650
  626   HD21  LEU  86          HD21      LEU  86  12.042 -19.527  -8.132
  627   HD22  LEU  86          HD22      LEU  86  11.102 -18.047  -8.164
  628   HD23  LEU  86          HD23      LEU  86  12.010 -18.581  -9.603
  629    HA   PRO  87           HA       PRO  87  12.762 -21.388  -4.474
  630    HB2  PRO  87           HB2      PRO  87  11.986 -18.897  -2.995
  631    HB3  PRO  87           HB3      PRO  87  12.469 -20.495  -2.352
  632    HG2  PRO  87           HG2      PRO  87  14.202 -18.392  -2.319
  633    HG3  PRO  87           HG3      PRO  87  14.767 -20.049  -2.704
  634    HD2  PRO  87           HD2      PRO  87  14.151 -17.793  -4.633
  635    HD3  PRO  87           HD3      PRO  87  15.523 -18.934  -4.597
  636    HA   PRO  88           HA       PRO  88   9.380 -20.627  -7.116
  637    HB2  PRO  88           HB2      PRO  88   7.348 -22.206  -6.096
  638    HB3  PRO  88           HB3      PRO  88   8.789 -22.834  -6.954
  639    HG2  PRO  88           HG2      PRO  88   8.373 -22.580  -3.959
  640    HG3  PRO  88           HG3      PRO  88   8.976 -23.997  -4.877
  641    HD2  PRO  88           HD2      PRO  88  10.703 -22.302  -3.667
  642    HD3  PRO  88           HD3      PRO  88  11.070 -22.953  -5.295
  643    H    GLU  89           H        GLU  89   8.731 -19.851  -3.690
  644    HA   GLU  89           HA       GLU  89   6.237 -18.592  -4.059
  645    HB2  GLU  89           HB2      GLU  89   6.790 -17.293  -2.055
  646    HB3  GLU  89           HB3      GLU  89   7.001 -19.007  -1.854
  647    HG2  GLU  89           HG2      GLU  89   9.454 -17.419  -2.603
  648    HG3  GLU  89           HG3      GLU  89   8.772 -17.171  -1.000
  649    H    TRP  90           H        TRP  90   9.357 -17.581  -5.261
  650    HA   TRP  90           HA       TRP  90   8.603 -14.770  -5.495
  651    HB2  TRP  90           HB2      TRP  90  10.928 -16.408  -6.543
  652    HB3  TRP  90           HB3      TRP  90  10.757 -14.675  -6.808
  653    HD1  TRP  90           HD1      TRP  90  12.045 -17.103  -4.303
  654    HE1  TRP  90           HE1      TRP  90  12.781 -15.944  -2.138
  655    HE3  TRP  90           HE3      TRP  90  10.213 -12.498  -5.266
  656    HZ2  TRP  90           HZ2      TRP  90  12.421 -13.323  -0.898
  657    HZ3  TRP  90           HZ3      TRP  90  10.257 -10.698  -3.552
  658    HH2  TRP  90           HH2      TRP  90  11.364 -11.095  -1.377
  659    H    VAL  91           H        VAL  91   8.145 -17.634  -7.506
  660    HA   VAL  91           HA       VAL  91   7.385 -15.926  -9.774
  661    HB   VAL  91           HB       VAL  91   7.484 -18.094 -11.048
  662   HG11  VAL  91          HG11      VAL  91   9.173 -16.412 -11.295
  663   HG12  VAL  91          HG12      VAL  91  10.014 -16.926  -9.830
  664   HG13  VAL  91          HG13      VAL  91   9.967 -17.993 -11.247
  665   HG21  VAL  91          HG21      VAL  91   8.821 -19.930 -10.231
  666   HG22  VAL  91          HG22      VAL  91   9.088 -19.117  -8.683
  667   HG23  VAL  91          HG23      VAL  91   7.458 -19.681  -9.125
  668    H    THR  92           H        THR  92   5.931 -17.683  -7.229
  669    HA   THR  92           HA       THR  92   3.372 -17.487  -8.742
  670    HB   THR  92           HB       THR  92   4.115 -19.761  -8.052
  671    HG1  THR  92           HG1      THR  92   1.951 -19.549  -8.356
  672   HG21  THR  92          HG21      THR  92   4.211 -20.511  -5.825
  673   HG22  THR  92          HG22      THR  92   5.118 -18.996  -5.843
  674   HG23  THR  92          HG23      THR  92   3.484 -19.025  -5.174
  675    H    GLN  93           H        GLN  93   4.354 -15.195  -8.054
  676    HA   GLN  93           HA       GLN  93   3.181 -14.133  -5.611
  677    HB2  GLN  93           HB2      GLN  93   4.504 -12.957  -8.095
  678    HB3  GLN  93           HB3      GLN  93   3.850 -11.945  -6.819
  679    HG2  GLN  93           HG2      GLN  93   5.960 -14.089  -6.310
  680    HG3  GLN  93           HG3      GLN  93   6.302 -12.413  -6.680
  681   HE21  GLN  93          HE22      GLN  93   5.596 -14.589  -4.095
  682   HE22  GLN  93          HE21      GLN  93   5.346 -13.341  -2.866
  683    H    GLU  94           H        GLU  94   1.662 -12.039  -6.158
  684    HA   GLU  94           HA       GLU  94  -0.756 -13.168  -7.180
  685    HB2  GLU  94           HB2      GLU  94  -0.003 -10.291  -6.508
  686    HB3  GLU  94           HB3      GLU  94  -1.635 -10.823  -6.902
  687    HG2  GLU  94           HG2      GLU  94   0.001 -11.803  -4.521
  688    HG3  GLU  94           HG3      GLU  94  -1.299 -10.617  -4.473
  689    H    ILE  95           H        ILE  95   1.870 -11.492  -8.699
  690    HA   ILE  95           HA       ILE  95   0.663 -11.969 -11.314
  691    HB   ILE  95           HB       ILE  95   0.154  -9.674 -11.182
  692   HG12  ILE  95          HG12      ILE  95   2.914  -9.733 -12.482
  693   HG13  ILE  95          HG13      ILE  95   1.455 -10.409 -13.220
  694   HG21  ILE  95          HG21      ILE  95   1.781  -7.913 -10.415
  695   HG22  ILE  95          HG22      ILE  95   1.296  -9.008  -9.141
  696   HG23  ILE  95          HG23      ILE  95   2.878  -9.205  -9.922
  697   HD11  ILE  95          HD11      ILE  95   1.983  -8.192 -14.126
  698   HD12  ILE  95          HD12      ILE  95   0.419  -8.172 -13.283
  699   HD13  ILE  95          HD13      ILE  95   1.865  -7.464 -12.537
  700    H    PHE  96           H        PHE  96   2.130 -12.988 -12.559
  701    HA   PHE  96           HA       PHE  96   5.004 -12.971 -11.786
  702    HB2  PHE  96           HB2      PHE  96   4.350 -15.183 -11.584
  703    HB3  PHE  96           HB3      PHE  96   3.291 -15.127 -12.994
  704    HD1  PHE  96           HD1      PHE  96   6.913 -14.991 -11.985
  705    HD2  PHE  96           HD2      PHE  96   4.082 -15.702 -15.168
  706    HE1  PHE  96           HE1      PHE  96   8.753 -15.719 -13.479
  707    HE2  PHE  96           HE2      PHE  96   5.934 -16.413 -16.652
  708    HZ   PHE  96           HZ       PHE  96   8.273 -16.395 -15.823
  709    H    GLU  97           H        GLU  97   6.367 -12.183 -13.496
  710    HA   GLU  97           HA       GLU  97   5.329 -11.879 -16.220
  711    HB2  GLU  97           HB2      GLU  97   6.311  -9.625 -14.488
  712    HB3  GLU  97           HB3      GLU  97   6.362  -9.514 -16.237
  713    HG2  GLU  97           HG2      GLU  97   3.780  -9.908 -14.692
  714    HG3  GLU  97           HG3      GLU  97   4.456  -8.342 -15.094
  715    H    ASP  98           H        ASP  98   7.167 -11.114 -17.622
  716    HA   ASP  98           HA       ASP  98   9.823 -11.767 -17.150
  717    HB2  ASP  98           HB2      ASP  98   9.344 -14.092 -16.736
  718    HB3  ASP  98           HB3      ASP  98   8.063 -14.114 -17.948
  719    H    TRP  99           H        TRP  99  10.899 -11.077 -18.991
  720    HA   TRP  99           HA       TRP  99   9.358 -10.756 -21.503
  721    HB2  TRP  99           HB2      TRP  99  10.570  -8.419 -19.970
  722    HB3  TRP  99           HB3      TRP  99   9.885  -8.332 -21.593
  723    HD1  TRP  99           HD1      TRP  99   7.084  -9.562 -21.325
  724    HE1  TRP  99           HE1      TRP  99   5.296  -8.732 -19.695
  725    HE3  TRP  99           HE3      TRP  99  10.077  -6.993 -18.085
  726    HZ2  TRP  99           HZ2      TRP  99   5.143  -6.983 -17.398
  727    HZ3  TRP  99           HZ3      TRP  99   9.091  -5.906 -16.107
  728    HH2  TRP  99           HH2      TRP  99   6.647  -5.840 -15.770
  729    H    GLN 100           H        GLN 100  10.676 -10.757 -23.304
  730    HA   GLN 100           HA       GLN 100  13.580 -11.061 -22.892
  731    HB2  GLN 100           HB2      GLN 100  11.896 -11.304 -25.405
  732    HB3  GLN 100           HB3      GLN 100  13.634 -11.601 -25.304
  733    HG2  GLN 100           HG2      GLN 100  11.510 -13.201 -23.809
  734    HG3  GLN 100           HG3      GLN 100  12.240 -13.657 -25.335
  735   HE21  GLN 100          HE22      GLN 100  12.657 -15.662 -23.924
  736   HE22  GLN 100          HE21      GLN 100  14.184 -15.696 -23.068
  737    H    LEU 101           H        LEU 101  13.286  -8.823 -21.932
  738    HA   LEU 101           HA       LEU 101  13.256  -6.522 -23.724
  739    HB2  LEU 101           HB2      LEU 101  14.089  -7.064 -20.837
  740    HB3  LEU 101           HB3      LEU 101  14.571  -5.570 -21.595
  741    HG   LEU 101           HG       LEU 101  11.667  -6.429 -21.450
  742   HD11  LEU 101          HD11      LEU 101  12.267  -6.324 -19.223
  743   HD12  LEU 101          HD12      LEU 101  13.337  -4.945 -19.437
  744   HD13  LEU 101          HD13      LEU 101  11.560  -4.737 -19.556
  745   HD21  LEU 101          HD21      LEU 101  11.390  -3.891 -21.770
  746   HD22  LEU 101          HD22      LEU 101  13.072  -3.945 -22.376
  747   HD23  LEU 101          HD23      LEU 101  11.812  -4.895 -23.160
  748    H    GLU 102           H        GLU 102  15.044  -5.618 -24.866
  749    HA   GLU 102           HA       GLU 102  17.475  -7.142 -24.984
  750    HB2  GLU 102           HB2      GLU 102  16.476  -4.535 -26.119
  751    HB3  GLU 102           HB3      GLU 102  18.219  -4.784 -26.058
  752    HG2  GLU 102           HG2      GLU 102  16.220  -6.643 -27.366
  753    HG3  GLU 102           HG3      GLU 102  17.215  -5.441 -28.211
  754    H    ASP 103           H        ASP 103  19.622  -6.145 -24.350
  755    HA   ASP 103           HA       ASP 103  19.458  -4.187 -22.217
  756    HB2  ASP 103           HB2      ASP 103  19.716  -6.339 -21.038
  757    HB3  ASP 103           HB3      ASP 103  21.177  -6.676 -21.984
  758    HA   PRO 104           HA       PRO 104  22.196  -2.669 -25.257
  759    HB2  PRO 104           HB2      PRO 104  22.924  -0.309 -24.270
  760    HB3  PRO 104           HB3      PRO 104  21.222  -0.693 -24.648
  761    HG2  PRO 104           HG2      PRO 104  22.573  -0.879 -21.920
  762    HG3  PRO 104           HG3      PRO 104  21.069   0.017 -22.334
  763    HD2  PRO 104           HD2      PRO 104  20.961  -2.504 -21.363
  764    HD3  PRO 104           HD3      PRO 104  19.870  -1.982 -22.676
  765    H    ASP 105           H        ASP 105  23.573  -3.900 -22.340
  766    HA   ASP 105           HA       ASP 105  26.221  -2.980 -22.348
  767    HB2  ASP 105           HB2      ASP 105  25.500  -4.442 -20.625
  768    HB3  ASP 105           HB3      ASP 105  25.093  -5.723 -21.779
  769    H    GLY 106           H        GLY 106  27.906  -3.163 -23.728
  770    HA2  GLY 106           HA2      GLY 106  29.346  -3.984 -25.284
  771    HA3  GLY 106           HA3      GLY 106  28.464  -5.515 -25.213
  772    H    GLN 107           H        GLN 107  26.407  -2.866 -26.121
  773    HA   GLN 107           HA       GLN 107  27.029  -3.127 -28.988
  774    HB2  GLN 107           HB2      GLN 107  24.751  -3.614 -29.629
  775    HB3  GLN 107           HB3      GLN 107  25.447  -4.892 -28.639
  776    HG2  GLN 107           HG2      GLN 107  24.201  -4.006 -26.662
  777    HG3  GLN 107           HG3      GLN 107  23.476  -2.783 -27.720
  778   HE21  GLN 107          HE22      GLN 107  22.197  -5.175 -26.152
  779   HE22  GLN 107          HE21      GLN 107  21.255  -5.965 -27.395
  780    H    SER 108           H        SER 108  25.057  -1.643 -30.097
  781    HA   SER 108           HA       SER 108  26.229   0.785 -29.704
  782    HB2  SER 108           HB2      SER 108  23.651   0.368 -31.255
  783    HB3  SER 108           HB3      SER 108  24.958   1.506 -31.603
  784    HG   SER 108           HG       SER 108  25.090  -0.347 -32.951
  785    H    LEU 109           H        LEU 109  25.474   2.922 -29.441
  786    HA   LEU 109           HA       LEU 109  23.946   3.698 -27.253
  787    HB2  LEU 109           HB2      LEU 109  25.591   5.033 -28.543
  788    HB3  LEU 109           HB3      LEU 109  24.477   5.086 -29.910
  789    HG   LEU 109           HG       LEU 109  22.855   6.389 -28.544
  790   HD11  LEU 109          HD11      LEU 109  23.359   5.629 -26.284
  791   HD12  LEU 109          HD12      LEU 109  25.038   6.205 -26.418
  792   HD13  LEU 109          HD13      LEU 109  23.683   7.364 -26.369
  793   HD21  LEU 109          HD21      LEU 109  25.688   7.512 -28.593
  794   HD22  LEU 109          HD22      LEU 109  24.544   7.513 -29.949
  795   HD23  LEU 109          HD23      LEU 109  24.185   8.467 -28.498
  796    H    GLU 110           H        GLU 110  22.893   3.066 -30.619
  797    HA   GLU 110           HA       GLU 110  20.268   4.037 -30.259
  798    HB2  GLU 110           HB2      GLU 110  21.553   3.447 -32.419
  799    HB3  GLU 110           HB3      GLU 110  21.062   1.783 -32.127
  800    HG2  GLU 110           HG2      GLU 110  19.549   2.897 -33.693
  801    HG3  GLU 110           HG3      GLU 110  18.696   2.444 -32.220
  802    H    VAL 111           H        VAL 111  21.723   0.992 -29.231
  803    HA   VAL 111           HA       VAL 111  19.152  -0.195 -28.665
  804    HB   VAL 111           HB       VAL 111  21.794  -1.152 -27.605
  805   HG11  VAL 111          HG11      VAL 111  19.838  -2.200 -26.580
  806   HG12  VAL 111          HG12      VAL 111  19.087  -2.475 -28.165
  807   HG13  VAL 111          HG13      VAL 111  20.538  -3.358 -27.708
  808   HG21  VAL 111          HG21      VAL 111  20.477  -1.734 -30.311
  809   HG22  VAL 111          HG22      VAL 111  22.083  -1.011 -30.049
  810   HG23  VAL 111          HG23      VAL 111  21.799  -2.690 -29.629
  811    H    PHE 112           H        PHE 112  21.689   1.568 -26.760
  812    HA   PHE 112           HA       PHE 112  20.343   1.462 -24.232
  813    HB2  PHE 112           HB2      PHE 112  22.001   3.685 -25.506
  814    HB3  PHE 112           HB3      PHE 112  21.286   3.804 -23.922
  815    HD1  PHE 112           HD1      PHE 112  22.112   2.501 -22.010
  816    HD2  PHE 112           HD2      PHE 112  23.936   2.125 -25.904
  817    HE1  PHE 112           HE1      PHE 112  23.996   1.217 -21.029
  818    HE2  PHE 112           HE2      PHE 112  25.837   0.918 -24.908
  819    HZ   PHE 112           HZ       PHE 112  25.856   0.413 -22.473
  820    H    ARG 113           H        ARG 113  19.927   3.807 -26.920
  821    HA   ARG 113           HA       ARG 113  17.765   5.272 -25.808
  822    HB2  ARG 113           HB2      ARG 113  18.498   4.614 -28.695
  823    HB3  ARG 113           HB3      ARG 113  17.243   5.767 -28.269
  824    HG2  ARG 113           HG2      ARG 113  18.735   7.341 -27.410
  825    HG3  ARG 113           HG3      ARG 113  20.032   6.162 -27.137
  826    HD2  ARG 113           HD2      ARG 113  20.498   5.949 -29.449
  827    HD3  ARG 113           HD3      ARG 113  19.011   6.808 -29.919
  828    HE   ARG 113           HE       ARG 113  20.621   8.549 -28.359
  829   HH11  ARG 113          HH11      ARG 113  20.545   7.005 -31.594
  830   HH12  ARG 113          HH12      ARG 113  21.472   8.260 -32.347
  831   HH21  ARG 113          HH21      ARG 113  21.833  10.227 -29.401
  832   HH22  ARG 113          HH22      ARG 113  22.220  10.118 -31.077
  833    H    THR 114           H        THR 114  17.655   2.278 -27.883
  834    HA   THR 114           HA       THR 114  14.851   2.115 -28.031
  835    HB   THR 114           HB       THR 114  17.184   0.193 -28.295
  836    HG1  THR 114           HG1      THR 114  17.154   1.605 -29.937
  837   HG21  THR 114          HG21      THR 114  15.662  -1.347 -29.465
  838   HG22  THR 114          HG22      THR 114  15.411  -1.225 -27.714
  839   HG23  THR 114          HG23      THR 114  14.284  -0.393 -28.823
  840    H    VAL 115           H        VAL 115  17.199   0.531 -25.729
  841    HA   VAL 115           HA       VAL 115  15.141  -0.977 -24.508
  842    HB   VAL 115           HB       VAL 115  17.989  -0.312 -23.669
  843   HG11  VAL 115          HG11      VAL 115  16.062  -2.295 -22.374
  844   HG12  VAL 115          HG12      VAL 115  17.790  -2.196 -22.034
  845   HG13  VAL 115          HG13      VAL 115  16.748  -0.842 -21.595
  846   HG21  VAL 115          HG21      VAL 115  17.589  -1.771 -25.725
  847   HG22  VAL 115          HG22      VAL 115  18.391  -2.639 -24.407
  848   HG23  VAL 115          HG23      VAL 115  16.644  -2.854 -24.694
  849    H    ARG 116           H        ARG 116  16.497   2.223 -23.733
  850    HA   ARG 116           HA       ARG 116  15.068   2.574 -21.314
  851    HB2  ARG 116           HB2      ARG 116  16.914   3.991 -22.160
  852    HB3  ARG 116           HB3      ARG 116  15.861   4.655 -23.422
  853    HG2  ARG 116           HG2      ARG 116  14.503   5.785 -21.811
  854    HG3  ARG 116           HG3      ARG 116  15.150   4.826 -20.479
  855    HD2  ARG 116           HD2      ARG 116  16.015   7.134 -20.458
  856    HD3  ARG 116           HD3      ARG 116  17.258   5.901 -20.516
  857    HE   ARG 116           HE       ARG 116  18.065   6.840 -22.386
  858   HH11  ARG 116          HH11      ARG 116  14.672   7.962 -22.208
  859   HH12  ARG 116          HH12      ARG 116  14.831   9.022 -23.555
  860   HH21  ARG 116          HH21      ARG 116  18.228   8.244 -24.193
  861   HH22  ARG 116          HH22      ARG 116  16.878   9.192 -24.686
  862    H    GLY 117           H        GLY 117  13.997   3.004 -24.723
  863    HA2  GLY 117           HA2      GLY 117  11.318   3.859 -24.137
  864    HA3  GLY 117           HA3      GLY 117  11.904   3.112 -25.633
  865    H    GLN 118           H        GLN 118  12.627   0.599 -25.030
  866    HA   GLN 118           HA       GLN 118  10.249  -0.860 -24.959
  867    HB2  GLN 118           HB2      GLN 118  13.012  -1.829 -24.078
  868    HB3  GLN 118           HB3      GLN 118  11.605  -2.842 -24.394
  869    HG2  GLN 118           HG2      GLN 118  11.590  -1.952 -26.759
  870    HG3  GLN 118           HG3      GLN 118  13.180  -1.252 -26.427
  871   HE21  GLN 118          HE22      GLN 118  12.440  -3.388 -28.346
  872   HE22  GLN 118          HE21      GLN 118  13.422  -4.770 -27.917
  873    H    VAL 119           H        VAL 119  12.555  -0.267 -22.339
  874    HA   VAL 119           HA       VAL 119  11.083  -1.895 -20.457
  875    HB   VAL 119           HB       VAL 119  13.410   0.044 -20.069
  876   HG11  VAL 119          HG11      VAL 119  12.319  -0.297 -17.926
  877   HG12  VAL 119          HG12      VAL 119  12.202  -2.057 -18.219
  878   HG13  VAL 119          HG13      VAL 119  13.788  -1.287 -17.987
  879   HG21  VAL 119          HG21      VAL 119  13.919  -1.918 -21.553
  880   HG22  VAL 119          HG22      VAL 119  14.763  -2.048 -20.001
  881   HG23  VAL 119          HG23      VAL 119  13.296  -3.000 -20.312
  882    H    LYS 120           H        LYS 120  11.197   1.702 -21.038
  883    HA   LYS 120           HA       LYS 120   9.556   2.382 -18.818
  884    HB2  LYS 120           HB2      LYS 120  10.590   4.019 -20.483
  885    HB3  LYS 120           HB3      LYS 120   9.389   3.472 -21.681
  886    HG2  LYS 120           HG2      LYS 120   7.556   4.227 -20.139
  887    HG3  LYS 120           HG3      LYS 120   8.788   4.832 -19.015
  888    HD2  LYS 120           HD2      LYS 120   9.636   6.387 -20.753
  889    HD3  LYS 120           HD3      LYS 120   8.448   5.748 -21.912
  890    HE2  LYS 120           HE2      LYS 120   6.602   6.472 -20.386
  891    HE3  LYS 120           HE3      LYS 120   7.797   7.162 -19.281
  892    HZ1  LYS 120           HZ1      LYS 120   8.458   8.693 -21.065
  893    HZ2  LYS 120           HZ2      LYS 120   7.352   8.044 -22.085
  894    HZ3  LYS 120           HZ3      LYS 120   6.861   8.845 -20.753
  895    H    GLU 121           H        GLU 121   8.685   1.214 -22.127
  896    HA   GLU 121           HA       GLU 121   5.905   1.388 -21.709
  897    HB2  GLU 121           HB2      GLU 121   7.025   1.373 -23.867
  898    HB3  GLU 121           HB3      GLU 121   7.553  -0.300 -23.634
  899    HG2  GLU 121           HG2      GLU 121   5.235  -1.092 -23.603
  900    HG3  GLU 121           HG3      GLU 121   4.635   0.568 -23.708
  901    H    ARG 122           H        ARG 122   8.121  -1.452 -21.299
  902    HA   ARG 122           HA       ARG 122   6.047  -3.269 -20.488
  903    HB2  ARG 122           HB2      ARG 122   9.011  -3.193 -19.738
  904    HB3  ARG 122           HB3      ARG 122   7.936  -4.524 -19.322
  905    HG2  ARG 122           HG2      ARG 122   8.633  -3.675 -22.163
  906    HG3  ARG 122           HG3      ARG 122   9.328  -5.034 -21.266
  907    HD2  ARG 122           HD2      ARG 122   7.087  -6.075 -21.108
  908    HD3  ARG 122           HD3      ARG 122   6.420  -4.747 -22.089
  909    HE   ARG 122           HE       ARG 122   8.580  -5.754 -23.538
  910   HH11  ARG 122          HH21      ARG 122   5.443  -7.006 -22.411
  911   HH12  ARG 122          HH22      ARG 122   5.239  -8.089 -23.742
  912   HH21  ARG 122          HH11      ARG 122   8.317  -7.222 -25.298
  913   HH22  ARG 122          HH12      ARG 122   6.920  -8.224 -25.401
  914    H    VAL 123           H        VAL 123   8.083  -1.074 -18.538
  915    HA   VAL 123           HA       VAL 123   6.975  -1.975 -16.052
  916    HB   VAL 123           HB       VAL 123   8.505   0.494 -16.761
  917   HG11  VAL 123          HG11      VAL 123   9.061   0.647 -14.384
  918   HG12  VAL 123          HG12      VAL 123   7.319   0.825 -14.616
  919   HG13  VAL 123          HG13      VAL 123   7.960  -0.714 -14.017
  920   HG21  VAL 123          HG21      VAL 123   9.730  -1.717 -17.098
  921   HG22  VAL 123          HG22      VAL 123  10.456  -0.648 -15.899
  922   HG23  VAL 123          HG23      VAL 123   9.490  -2.041 -15.377
  923    H    GLU 124           H        GLU 124   6.080   0.721 -18.295
  924    HA   GLU 124           HA       GLU 124   4.009   1.792 -16.699
  925    HB2  GLU 124           HB2      GLU 124   4.560   1.747 -19.690
  926    HB3  GLU 124           HB3      GLU 124   3.001   2.313 -19.079
  927    HG2  GLU 124           HG2      GLU 124   4.270   3.940 -17.609
  928    HG3  GLU 124           HG3      GLU 124   5.721   3.524 -18.527
  929    H    ASN 125           H        ASN 125   3.971  -0.864 -19.075
  930    HA   ASN 125           HA       ASN 125   1.181  -1.351 -18.914
  931    HB2  ASN 125           HB2      ASN 125   2.655  -2.187 -20.737
  932    HB3  ASN 125           HB3      ASN 125   3.426  -3.301 -19.599
  933   HD21  ASN 125          HD22      ASN 125   0.212  -2.475 -21.065
  934   HD22  ASN 125          HD21      ASN 125  -0.414  -4.099 -20.947
  935    H    LEU 126           H        LEU 126   3.883  -2.836 -17.077
  936    HA   LEU 126           HA       LEU 126   2.495  -4.640 -15.443
  937    HB2  LEU 126           HB2      LEU 126   4.864  -4.523 -15.811
  938    HB3  LEU 126           HB3      LEU 126   4.995  -2.966 -15.030
  939    HG   LEU 126           HG       LEU 126   5.719  -5.106 -13.854
  940   HD11  LEU 126          HD11      LEU 126   5.344  -4.203 -11.646
  941   HD12  LEU 126          HD12      LEU 126   5.747  -2.915 -12.783
  942   HD13  LEU 126          HD13      LEU 126   4.056  -3.137 -12.266
  943   HD21  LEU 126          HD21      LEU 126   3.616  -6.357 -14.192
  944   HD22  LEU 126          HD22      LEU 126   4.178  -6.331 -12.519
  945   HD23  LEU 126          HD23      LEU 126   2.835  -5.288 -13.001
  946    H    ILE 127           H        ILE 127   3.253  -1.130 -14.887
  947    HA   ILE 127           HA       ILE 127   1.966  -1.020 -12.300
  948    HB   ILE 127           HB       ILE 127   2.856   0.976 -14.432
  949   HG12  ILE 127          HG12      ILE 127   3.886   0.466 -11.626
  950   HG13  ILE 127          HG13      ILE 127   4.502  -0.444 -13.002
  951   HG21  ILE 127          HG21      ILE 127   0.986   2.036 -13.252
  952   HG22  ILE 127          HG22      ILE 127   1.701   1.609 -11.680
  953   HG23  ILE 127          HG23      ILE 127   2.499   2.780 -12.763
  954   HD11  ILE 127          HD11      ILE 127   6.011   1.354 -12.533
  955   HD12  ILE 127          HD12      ILE 127   5.172   1.697 -14.072
  956   HD13  ILE 127          HD13      ILE 127   4.692   2.538 -12.580
  957    H    ALA 128           H        ALA 128   0.898  -0.110 -15.640
  958    HA   ALA 128           HA       ALA 128  -1.616   0.846 -14.944
  959    HB1  ALA 128           HB1      ALA 128  -0.591   1.111 -17.172
  960    HB2  ALA 128           HB2      ALA 128  -0.809  -0.626 -17.492
  961    HB3  ALA 128           HB3      ALA 128  -2.222   0.430 -17.301
  962    H    LYS 129           H        LYS 129  -0.639  -2.603 -15.329
  963    HA   LYS 129           HA       LYS 129  -3.411  -3.403 -15.066
  964    HB2  LYS 129           HB2      LYS 129  -2.736  -5.674 -15.255
  965    HB3  LYS 129           HB3      LYS 129  -2.026  -4.683 -16.525
  966    HG2  LYS 129           HG2      LYS 129   0.119  -4.651 -15.213
  967    HG3  LYS 129           HG3      LYS 129  -0.613  -5.750 -14.042
  968    HD2  LYS 129           HD2      LYS 129   0.818  -6.950 -15.569
  969    HD3  LYS 129           HD3      LYS 129  -0.864  -7.456 -15.847
  970    HE2  LYS 129           HE2      LYS 129  -0.947  -5.988 -17.854
  971    HE3  LYS 129           HE3      LYS 129   0.656  -5.357 -17.467
  972    HZ1  LYS 129           HZ1      LYS 129   1.500  -7.683 -17.768
  973    HZ2  LYS 129           HZ2      LYS 129   0.018  -8.107 -18.355
  974    HZ3  LYS 129           HZ3      LYS 129   0.925  -6.970 -19.130
  975    H    ILE 130           H        ILE 130  -0.593  -3.294 -12.782
  976    HA   ILE 130           HA       ILE 130  -2.220  -4.609 -10.838
  977    HB   ILE 130           HB       ILE 130  -0.427  -4.402  -9.335
  978   HG12  ILE 130          HG12      ILE 130   0.847  -2.563 -11.358
  979   HG13  ILE 130          HG13      ILE 130   0.417  -2.203  -9.696
  980   HG21  ILE 130          HG21      ILE 130   1.125  -5.824 -10.490
  981   HG22  ILE 130          HG22      ILE 130  -0.487  -6.176 -11.107
  982   HG23  ILE 130          HG23      ILE 130   0.637  -5.193 -12.074
  983   HD11  ILE 130          HD11      ILE 130   2.595  -4.117 -10.580
  984   HD12  ILE 130          HD12      ILE 130   2.810  -2.501  -9.923
  985   HD13  ILE 130          HD13      ILE 130   2.132  -3.765  -8.876
  986    H    SER 131           H        SER 131  -1.426  -1.209 -11.414
  987    HA   SER 131           HA       SER 131  -2.520  -0.412  -8.865
  988    HB2  SER 131           HB2      SER 131  -0.956   1.041 -10.998
  989    HB3  SER 131           HB3      SER 131  -1.545   1.778  -9.492
  990    HG   SER 131           HG       SER 131   0.643   0.919  -9.313
  Start of MODEL   12
    1    H    MET   1           H        MET   1   2.947  -0.382   2.093
    2    HA   MET   1           HA       MET   1   2.579   0.844  -0.569
    3    HB2  MET   1           HB2      MET   1   4.773   1.161   1.265
    4    HB3  MET   1           HB3      MET   1   5.347   0.108  -0.033
    5    HG2  MET   1           HG2      MET   1   5.029   1.682  -1.682
    6    HG3  MET   1           HG3      MET   1   3.944   2.690  -0.704
    7    HE1  MET   1           HE1      MET   1   6.842   3.274  -2.496
    8    HE2  MET   1           HE2      MET   1   5.585   4.458  -2.056
    9    HE3  MET   1           HE3      MET   1   7.278   4.737  -1.590
   10    H    LYS   2           H        LYS   2   2.924  -0.550  -2.380
   11    HA   LYS   2           HA       LYS   2   2.983  -3.470  -1.810
   12    HB2  LYS   2           HB2      LYS   2   3.061  -2.228  -4.571
   13    HB3  LYS   2           HB3      LYS   2   2.500  -3.801  -4.111
   14    HG2  LYS   2           HG2      LYS   2   0.529  -2.830  -2.962
   15    HG3  LYS   2           HG3      LYS   2   1.087  -1.202  -3.377
   16    HD2  LYS   2           HD2      LYS   2   1.067  -2.010  -5.840
   17    HD3  LYS   2           HD3      LYS   2   0.062  -3.340  -5.272
   18    HE2  LYS   2           HE2      LYS   2  -0.535  -0.367  -4.787
   19    HE3  LYS   2           HE3      LYS   2  -1.098  -1.237  -6.206
   20    HZ1  LYS   2           HZ1      LYS   2  -2.360  -2.726  -4.741
   21    HZ2  LYS   2           HZ2      LYS   2  -1.848  -1.915  -3.403
   22    HZ3  LYS   2           HZ3      LYS   2  -2.801  -1.182  -4.504
   23    H    LYS   3           H        LYS   3   4.965  -4.495  -1.507
   24    HA   LYS   3           HA       LYS   3   7.368  -3.057  -2.415
   25    HB2  LYS   3           HB2      LYS   3   7.209  -5.811  -1.149
   26    HB3  LYS   3           HB3      LYS   3   8.675  -4.873  -1.471
   27    HG2  LYS   3           HG2      LYS   3   7.759  -3.048   0.000
   28    HG3  LYS   3           HG3      LYS   3   6.410  -4.136   0.419
   29    HD2  LYS   3           HD2      LYS   3   8.015  -5.797   1.308
   30    HD3  LYS   3           HD3      LYS   3   9.376  -4.703   0.901
   31    HE2  LYS   3           HE2      LYS   3   8.344  -2.926   2.265
   32    HE3  LYS   3           HE3      LYS   3   6.987  -4.004   2.651
   33    HZ1  LYS   3           HZ1      LYS   3   8.537  -4.070   4.479
   34    HZ2  LYS   3           HZ2      LYS   3   8.638  -5.525   3.709
   35    HZ3  LYS   3           HZ3      LYS   3   9.812  -4.394   3.505
   36    H    VAL   4           H        VAL   4   8.537  -3.501  -4.131
   37    HA   VAL   4           HA       VAL   4   7.450  -5.454  -6.109
   38    HB   VAL   4           HB       VAL   4   8.981  -3.014  -6.892
   39   HG11  VAL   4          HG11      VAL   4   6.549  -4.357  -8.146
   40   HG12  VAL   4          HG12      VAL   4   7.529  -3.100  -8.880
   41   HG13  VAL   4          HG13      VAL   4   8.242  -4.703  -8.596
   42   HG21  VAL   4          HG21      VAL   4   7.336  -1.968  -5.399
   43   HG22  VAL   4          HG22      VAL   4   7.049  -1.595  -7.082
   44   HG23  VAL   4          HG23      VAL   4   6.022  -2.806  -6.258
   45    H    MET   5           H        MET   5   8.971  -6.651  -7.143
   46    HA   MET   5           HA       MET   5  11.870  -6.043  -6.876
   47    HB2  MET   5           HB2      MET   5  11.545  -7.731  -5.248
   48    HB3  MET   5           HB3      MET   5  10.459  -8.671  -6.266
   49    HG2  MET   5           HG2      MET   5  12.267  -9.307  -7.723
   50    HG3  MET   5           HG3      MET   5  13.404  -8.263  -6.895
   51    HE1  MET   5           HE1      MET   5  13.901  -8.598  -4.191
   52    HE2  MET   5           HE2      MET   5  12.306  -9.169  -3.661
   53    HE3  MET   5           HE3      MET   5  13.737 -10.169  -3.386
   54    H    PHE   6           H        PHE   6  13.067  -6.615  -8.752
   55    HA   PHE   6           HA       PHE   6  11.692  -7.723 -11.102
   56    HB2  PHE   6           HB2      PHE   6  13.319  -5.137 -11.147
   57    HB3  PHE   6           HB3      PHE   6  12.723  -6.029 -12.532
   58    HD1  PHE   6           HD2      PHE   6  11.709  -3.959  -9.653
   59    HD2  PHE   6           HD1      PHE   6  10.564  -5.678 -13.441
   60    HE1  PHE   6           HE2      PHE   6   9.662  -2.567  -9.664
   61    HE2  PHE   6           HE1      PHE   6   8.522  -4.256 -13.461
   62    HZ   PHE   6           HZ       PHE   6   8.059  -2.718 -11.561
   63    H    VAL   7           H        VAL   7  13.127  -9.421 -11.652
   64    HA   VAL   7           HA       VAL   7  16.017  -8.930 -11.227
   65    HB   VAL   7           HB       VAL   7  15.262  -9.455  -9.053
   66   HG11  VAL   7          HG11      VAL   7  14.015 -11.500  -8.421
   67   HG12  VAL   7          HG12      VAL   7  13.084 -10.364  -9.394
   68   HG13  VAL   7          HG13      VAL   7  13.743 -11.840 -10.148
   69   HG21  VAL   7          HG21      VAL   7  16.439 -11.432  -8.402
   70   HG22  VAL   7          HG22      VAL   7  16.408 -12.079 -10.053
   71   HG23  VAL   7          HG23      VAL   7  17.351 -10.613  -9.672
   72    H    CYS   8           H        CYS   8  17.391 -10.470 -12.038
   73    HA   CYS   8           HA       CYS   8  16.469 -12.779 -13.544
   74    HB2  CYS   8           HB2      CYS   8  16.570 -10.912 -15.254
   75    HB3  CYS   8           HB3      CYS   8  18.251 -10.639 -14.791
   76    H    LYS   9           H        LYS   9  18.592 -14.145 -13.918
   77    HA   LYS   9           HA       LYS   9  20.252 -14.021 -11.558
   78    HB2  LYS   9           HB2      LYS   9  21.599 -15.761 -12.594
   79    HB3  LYS   9           HB3      LYS   9  19.877 -16.132 -12.674
   80    HG2  LYS   9           HG2      LYS   9  19.872 -15.378 -15.090
   81    HG3  LYS   9           HG3      LYS   9  21.627 -15.140 -14.969
   82    HD2  LYS   9           HD2      LYS   9  21.914 -17.553 -14.408
   83    HD3  LYS   9           HD3      LYS   9  20.165 -17.767 -14.473
   84    HE2  LYS   9           HE2      LYS   9  21.012 -18.593 -16.532
   85    HE3  LYS   9           HE3      LYS   9  20.178 -17.084 -16.887
   86    HZ1  LYS   9           HZ1      LYS   9  22.367 -15.995 -17.029
   87    HZ2  LYS   9           HZ2      LYS   9  23.130 -17.398 -16.637
   88    HZ3  LYS   9           HZ3      LYS   9  22.308 -17.270 -18.040
   89    H    ARG  10           H        ARG  10  22.000 -12.896 -11.159
   90    HA   ARG  10           HA       ARG  10  23.476 -11.306 -11.128
   91    HB2  ARG  10           HB2      ARG  10  24.032 -11.986 -14.042
   92    HB3  ARG  10           HB3      ARG  10  24.987 -10.852 -13.076
   93    HG2  ARG  10           HG2      ARG  10  25.452 -12.609 -11.412
   94    HG3  ARG  10           HG3      ARG  10  24.544 -13.783 -12.382
   95    HD2  ARG  10           HD2      ARG  10  26.155 -13.505 -14.229
   96    HD3  ARG  10           HD3      ARG  10  27.045 -12.292 -13.277
   97    HE   ARG  10           HE       ARG  10  26.785 -14.634 -11.692
   98   HH11  ARG  10          HH21      ARG  10  28.573 -13.685 -14.634
   99   HH12  ARG  10          HH22      ARG  10  29.846 -14.823 -14.350
  100   HH21  ARG  10          HH11      ARG  10  28.336 -16.010 -11.321
  101   HH22  ARG  10          HH12      ARG  10  29.724 -16.237 -12.377
  102    H    ASN  11           H        ASN  11  23.502  -9.208 -10.996
  103    HA   ASN  11           HA       ASN  11  21.396  -7.513 -11.762
  104    HB2  ASN  11           HB2      ASN  11  23.118  -7.085  -9.965
  105    HB3  ASN  11           HB3      ASN  11  24.316  -6.766 -11.236
  106   HD21  ASN  11          HD22      ASN  11  24.358  -4.689 -12.160
  107   HD22  ASN  11          HD21      ASN  11  23.117  -3.477 -11.859
  108    H    SER  12           H        SER  12  24.421  -8.284 -13.531
  109    HA   SER  12           HA       SER  12  24.306  -6.118 -15.365
  110    HB2  SER  12           HB2      SER  12  26.029  -7.790 -16.505
  111    HB3  SER  12           HB3      SER  12  26.416  -6.924 -15.010
  112    HG   SER  12           HG       SER  12  26.871  -9.235 -14.942
  113    H    SER  13           H        SER  13  22.327  -8.945 -15.260
  114    HA   SER  13           HA       SER  13  22.089  -9.278 -18.114
  115    HB2  SER  13           HB2      SER  13  20.370 -10.326 -15.845
  116    HB3  SER  13           HB3      SER  13  20.306 -10.853 -17.541
  117    HG   SER  13           HG       SER  13  21.794 -11.841 -15.690
  118    H    ARG  14           H        ARG  14  19.151  -8.513 -16.100
  119    HA   ARG  14           HA       ARG  14  18.661  -6.270 -18.031
  120    HB2  ARG  14           HB2      ARG  14  16.743  -8.395 -17.072
  121    HB3  ARG  14           HB3      ARG  14  16.175  -6.796 -17.552
  122    HG2  ARG  14           HG2      ARG  14  15.884  -7.935 -19.423
  123    HG3  ARG  14           HG3      ARG  14  17.414  -7.120 -19.751
  124    HD2  ARG  14           HD2      ARG  14  18.644  -9.182 -19.418
  125    HD3  ARG  14           HD3      ARG  14  17.202  -9.987 -18.723
  126    HE   ARG  14           HE       ARG  14  16.276  -9.109 -21.084
  127   HH11  ARG  14          HH11      ARG  14  19.024 -11.275 -20.338
  128   HH12  ARG  14          HH12      ARG  14  19.002 -12.034 -21.887
  129   HH21  ARG  14          HH21      ARG  14  16.292 -10.047 -23.091
  130   HH22  ARG  14          HH22      ARG  14  17.377 -11.350 -23.510
  131    H    SER  15           H        SER  15  19.690  -6.567 -14.958
  132    HA   SER  15           HA       SER  15  17.690  -4.758 -13.816
  133    HB2  SER  15           HB2      SER  15  20.053  -5.840 -12.341
  134    HB3  SER  15           HB3      SER  15  18.479  -5.291 -11.729
  135    HG   SER  15           HG       SER  15  18.572  -7.578 -11.771
  136    H    GLN  16           H        GLN  16  18.910  -3.495 -15.910
  137    HA   GLN  16           HA       GLN  16  20.429  -1.376 -14.542
  138    HB2  GLN  16           HB2      GLN  16  21.560  -0.818 -16.525
  139    HB3  GLN  16           HB3      GLN  16  21.845  -2.535 -16.229
  140    HG2  GLN  16           HG2      GLN  16  19.791  -1.429 -18.200
  141    HG3  GLN  16           HG3      GLN  16  21.460  -1.755 -18.634
  142   HE21  GLN  16          HE22      GLN  16  22.243  -4.003 -18.727
  143   HE22  GLN  16          HE21      GLN  16  21.113  -5.323 -18.809
  144    H    MET  17           H        MET  17  17.344  -1.885 -15.150
  145    HA   MET  17           HA       MET  17  16.811   0.823 -15.820
  146    HB2  MET  17           HB2      MET  17  17.418  -0.119 -18.085
  147    HB3  MET  17           HB3      MET  17  16.062  -1.215 -17.939
  148    HG2  MET  17           HG2      MET  17  15.413   0.525 -19.323
  149    HG3  MET  17           HG3      MET  17  14.544   0.756 -17.811
  150    HE1  MET  17           HE1      MET  17  15.013   2.900 -16.140
  151    HE2  MET  17           HE2      MET  17  16.804   2.823 -16.071
  152    HE3  MET  17           HE3      MET  17  16.035   4.274 -16.661
  153    H    ALA  18           H        ALA  18  15.315  -2.487 -15.493
  154    HA   ALA  18           HA       ALA  18  12.654  -1.356 -15.586
  155    HB1  ALA  18           HB1      ALA  18  11.913  -3.608 -14.948
  156    HB2  ALA  18           HB2      ALA  18  13.127  -3.698 -16.246
  157    HB3  ALA  18           HB3      ALA  18  13.584  -4.072 -14.561
  158    H    GLU  19           H        GLU  19  14.688  -2.445 -12.913
  159    HA   GLU  19           HA       GLU  19  12.942  -1.672 -10.791
  160    HB2  GLU  19           HB2      GLU  19  14.881  -1.922  -9.397
  161    HB3  GLU  19           HB3      GLU  19  14.854  -3.202 -10.598
  162    HG2  GLU  19           HG2      GLU  19  16.718  -0.828 -10.424
  163    HG3  GLU  19           HG3      GLU  19  17.121  -2.541 -10.346
  164    H    GLY  20           H        GLY  20  15.481   0.194 -12.595
  165    HA2  GLY  20           HA2      GLY  20  15.258   2.605 -11.175
  166    HA3  GLY  20           HA3      GLY  20  15.736   2.429 -12.873
  167    H    PHE  21           H        PHE  21  13.403   1.540 -14.121
  168    HA   PHE  21           HA       PHE  21  11.863   3.934 -14.175
  169    HB2  PHE  21           HB2      PHE  21  11.767   1.300 -15.544
  170    HB3  PHE  21           HB3      PHE  21  10.202   2.071 -15.365
  171    HD1  PHE  21           HD2      PHE  21  10.412   4.848 -15.673
  172    HD2  PHE  21           HD1      PHE  21  12.767   1.783 -17.576
  173    HE1  PHE  21           HE2      PHE  21  10.841   6.356 -17.615
  174    HE2  PHE  21           HE1      PHE  21  13.259   3.282 -19.448
  175    HZ   PHE  21           HZ       PHE  21  12.244   5.580 -19.512
  176    H    ALA  22           H        ALA  22  11.262   0.840 -12.442
  177    HA   ALA  22           HA       ALA  22   8.612   1.704 -11.709
  178    HB1  ALA  22           HB1      ALA  22   8.768  -0.180 -10.055
  179    HB2  ALA  22           HB2      ALA  22   9.260  -0.640 -11.713
  180    HB3  ALA  22           HB3      ALA  22  10.496  -0.371 -10.485
  181    H    LYS  23           H        LYS  23  11.794   2.078 -10.149
  182    HA   LYS  23           HA       LYS  23  11.017   3.463  -7.799
  183    HB2  LYS  23           HB2      LYS  23  13.308   3.068  -7.893
  184    HB3  LYS  23           HB3      LYS  23  13.371   3.242  -9.623
  185    HG2  LYS  23           HG2      LYS  23  13.130   5.881  -9.036
  186    HG3  LYS  23           HG3      LYS  23  13.831   5.315  -7.528
  187    HD2  LYS  23           HD2      LYS  23  14.903   4.927 -10.374
  188    HD3  LYS  23           HD3      LYS  23  15.510   6.092  -9.222
  189    HE2  LYS  23           HE2      LYS  23  15.619   3.061  -8.747
  190    HE3  LYS  23           HE3      LYS  23  16.920   3.994  -9.490
  191    HZ1  LYS  23           HZ1      LYS  23  17.113   5.300  -7.452
  192    HZ2  LYS  23           HZ2      LYS  23  15.918   4.443  -6.721
  193    HZ3  LYS  23           HZ3      LYS  23  17.322   3.717  -7.124
  194    H    THR  24           H        THR  24  11.358   4.637 -11.176
  195    HA   THR  24           HA       THR  24  10.858   7.344 -10.552
  196    HB   THR  24           HB       THR  24  11.090   5.653 -13.020
  197    HG1  THR  24           HG1      THR  24  12.991   5.915 -11.953
  198   HG21  THR  24          HG21      THR  24   9.706   7.403 -13.726
  199   HG22  THR  24          HG22      THR  24  10.683   8.632 -12.862
  200   HG23  THR  24          HG23      THR  24  11.362   7.765 -14.266
  201    H    LEU  25           H        LEU  25   8.863   4.977 -12.300
  202    HA   LEU  25           HA       LEU  25   6.626   6.742 -12.604
  203    HB2  LEU  25           HB2      LEU  25   6.962   3.729 -12.948
  204    HB3  LEU  25           HB3      LEU  25   5.521   4.608 -13.486
  205    HG   LEU  25           HG       LEU  25   8.308   5.309 -14.457
  206   HD11  LEU  25          HD11      LEU  25   8.042   3.002 -15.011
  207   HD12  LEU  25          HD12      LEU  25   6.380   3.252 -15.584
  208   HD13  LEU  25          HD13      LEU  25   7.763   3.921 -16.491
  209   HD21  LEU  25          HD21      LEU  25   6.568   7.018 -14.879
  210   HD22  LEU  25          HD22      LEU  25   7.096   6.269 -16.391
  211   HD23  LEU  25          HD23      LEU  25   5.547   5.794 -15.662
  212    H    GLY  26           H        GLY  26   7.430   4.207 -10.243
  213    HA2  GLY  26           HA2      GLY  26   4.702   4.234  -9.121
  214    HA3  GLY  26           HA3      GLY  26   5.983   3.040  -8.878
  215    H    ALA  27           H        ALA  27   7.365   6.097  -8.555
  216    HA   ALA  27           HA       ALA  27   8.471   5.801  -6.201
  217    HB1  ALA  27           HB1      ALA  27   8.731   8.247  -6.046
  218    HB2  ALA  27           HB2      ALA  27   8.883   7.725  -7.729
  219    HB3  ALA  27           HB3      ALA  27   7.381   8.487  -7.173
  220    H    GLY  28           H        GLY  28   5.344   7.533  -6.394
  221    HA2  GLY  28           HA2      GLY  28   5.177   7.743  -3.471
  222    HA3  GLY  28           HA3      GLY  28   4.066   8.424  -4.658
  223    H    LYS  29           H        LYS  29   4.613   5.096  -5.288
  224    HA   LYS  29           HA       LYS  29   1.963   4.428  -4.051
  225    HB2  LYS  29           HB2      LYS  29   2.914   3.428  -6.763
  226    HB3  LYS  29           HB3      LYS  29   1.289   3.366  -6.066
  227    HG2  LYS  29           HG2      LYS  29   1.265   5.915  -6.206
  228    HG3  LYS  29           HG3      LYS  29   2.797   5.805  -7.104
  229    HD2  LYS  29           HD2      LYS  29   1.645   4.373  -8.831
  230    HD3  LYS  29           HD3      LYS  29   0.122   4.594  -7.936
  231    HE2  LYS  29           HE2      LYS  29   0.419   7.099  -8.185
  232    HE3  LYS  29           HE3      LYS  29   1.835   6.787  -9.201
  233    HZ1  LYS  29           HZ1      LYS  29   0.356   5.652 -10.778
  234    HZ2  LYS  29           HZ2      LYS  29  -0.951   5.947  -9.819
  235    HZ3  LYS  29           HZ3      LYS  29  -0.153   7.180 -10.519
  236    H    ILE  30           H        ILE  30   5.025   3.042  -5.376
  237    HA   ILE  30           HA       ILE  30   4.682   0.650  -3.638
  238    HB   ILE  30           HB       ILE  30   5.062  -0.809  -5.550
  239   HG12  ILE  30          HG12      ILE  30   4.955   1.709  -7.282
  240   HG13  ILE  30          HG13      ILE  30   6.376   0.701  -7.021
  241   HG21  ILE  30          HG21      ILE  30   2.721  -0.054  -4.887
  242   HG22  ILE  30          HG22      ILE  30   2.753   1.023  -6.290
  243   HG23  ILE  30          HG23      ILE  30   2.892  -0.722  -6.518
  244   HD11  ILE  30          HD11      ILE  30   5.564   0.086  -9.140
  245   HD12  ILE  30          HD12      ILE  30   5.035  -1.231  -8.091
  246   HD13  ILE  30          HD13      ILE  30   3.869   0.007  -8.611
  247    H    ALA  31           H        ALA  31   6.608  -0.566  -3.312
  248    HA   ALA  31           HA       ALA  31   8.979   1.256  -3.208
  249    HB1  ALA  31           HB1      ALA  31   9.462   0.100  -1.104
  250    HB2  ALA  31           HB2      ALA  31   7.810   0.763  -1.073
  251    HB3  ALA  31           HB3      ALA  31   8.080  -0.986  -1.327
  252    H    VAL  32           H        VAL  32  10.395   0.561  -4.861
  253    HA   VAL  32           HA       VAL  32  10.586  -2.308  -5.522
  254    HB   VAL  32           HB       VAL  32  12.418  -0.054  -6.437
  255   HG11  VAL  32          HG11      VAL  32  12.680  -1.542  -8.414
  256   HG12  VAL  32          HG12      VAL  32  13.223  -2.328  -6.930
  257   HG13  VAL  32          HG13      VAL  32  11.647  -2.764  -7.623
  258   HG21  VAL  32          HG21      VAL  32  10.109   0.654  -6.998
  259   HG22  VAL  32          HG22      VAL  32  11.035   0.184  -8.412
  260   HG23  VAL  32          HG23      VAL  32   9.807  -0.931  -7.748
  261    H    THR  33           H        THR  33  11.874  -3.709  -4.529
  262    HA   THR  33           HA       THR  33  14.501  -2.911  -3.539
  263    HB   THR  33           HB       THR  33  12.637  -4.661  -1.933
  264    HG1  THR  33           HG1      THR  33  11.830  -2.600  -1.657
  265   HG21  THR  33          HG21      THR  33  15.332  -3.383  -1.247
  266   HG22  THR  33          HG22      THR  33  14.377  -4.426  -0.161
  267   HG23  THR  33          HG23      THR  33  15.068  -5.089  -1.654
  268    H    SER  34           H        SER  34  15.290  -3.999  -5.386
  269    HA   SER  34           HA       SER  34  13.938  -6.467  -6.059
  270    HB2  SER  34           HB2      SER  34  15.938  -4.748  -7.519
  271    HB3  SER  34           HB3      SER  34  15.356  -6.297  -8.155
  272    HG   SER  34           HG       SER  34  14.086  -4.236  -8.634
  273    H    SER  35           H        SER  35  16.459  -6.038  -4.012
  274    HA   SER  35           HA       SER  35  18.205  -7.275  -3.288
  275    HB2  SER  35           HB2      SER  35  17.654  -9.458  -2.661
  276    HB3  SER  35           HB3      SER  35  16.140  -8.550  -2.671
  277    HG   SER  35           HG       SER  35  15.893  -9.494  -4.901
  278    H    GLY  36           H        GLY  36  18.413 -10.178  -4.759
  279    HA2  GLY  36           HA2      GLY  36  19.073  -9.872  -7.385
  280    HA3  GLY  36           HA3      GLY  36  20.601  -9.538  -6.551
  281    H    LEU  37           H        LEU  37  20.117 -11.805  -8.299
  282    HA   LEU  37           HA       LEU  37  20.624 -14.034  -6.486
  283    HB2  LEU  37           HB2      LEU  37  19.187 -13.871  -9.161
  284    HB3  LEU  37           HB3      LEU  37  20.091 -15.329  -8.753
  285    HG   LEU  37           HG       LEU  37  18.200 -14.237  -6.680
  286   HD11  LEU  37          HD11      LEU  37  17.322 -15.758  -9.152
  287   HD12  LEU  37          HD12      LEU  37  16.293 -15.481  -7.717
  288   HD13  LEU  37          HD13      LEU  37  16.870 -14.105  -8.689
  289   HD21  LEU  37          HD21      LEU  37  19.604 -16.181  -6.142
  290   HD22  LEU  37          HD22      LEU  37  17.907 -16.686  -6.226
  291   HD23  LEU  37          HD23      LEU  37  19.002 -17.049  -7.571
  292    H    GLU  38           H        GLU  38  22.723 -13.753  -6.341
  293    HA   GLU  38           HA       GLU  38  24.901 -13.321  -6.763
  294    HB2  GLU  38           HB2      GLU  38  24.129 -13.981  -9.619
  295    HB3  GLU  38           HB3      GLU  38  25.724 -13.364  -9.200
  296    HG2  GLU  38           HG2      GLU  38  26.127 -15.150  -7.654
  297    HG3  GLU  38           HG3      GLU  38  24.498 -15.801  -7.885
  298    H    SER  39           H        SER  39  26.391 -11.628  -7.912
  299    HA   SER  39           HA       SER  39  24.867  -9.293  -8.741
  300    HB2  SER  39           HB2      SER  39  25.867  -7.867  -6.953
  301    HB3  SER  39           HB3      SER  39  24.727  -9.104  -6.370
  302    HG   SER  39           HG       SER  39  26.606  -9.033  -5.045
  303    H    SER  40           H        SER  40  26.085  -7.456  -9.236
  304    HA   SER  40           HA       SER  40  28.729  -7.448 -10.257
  305    HB2  SER  40           HB2      SER  40  26.379  -8.361 -11.963
  306    HB3  SER  40           HB3      SER  40  27.706  -7.434 -12.713
  307    HG   SER  40           HG       SER  40  28.147  -9.769 -11.151
  308    H    ARG  41           H        ARG  41  28.733  -5.329 -11.681
  309    HA   ARG  41           HA       ARG  41  26.800  -3.400 -10.469
  310    HB2  ARG  41           HB2      ARG  41  29.613  -3.267 -10.975
  311    HB3  ARG  41           HB3      ARG  41  28.889  -2.216 -12.174
  312    HG2  ARG  41           HG2      ARG  41  29.358  -0.843 -10.326
  313    HG3  ARG  41           HG3      ARG  41  27.602  -1.070 -10.293
  314    HD2  ARG  41           HD2      ARG  41  27.860  -2.780  -8.503
  315    HD3  ARG  41           HD3      ARG  41  29.628  -2.633  -8.630
  316    HE   ARG  41           HE       ARG  41  28.367  -0.086  -8.113
  317   HH11  ARG  41          HH11      ARG  41  29.354  -3.078  -6.467
  318   HH12  ARG  41          HH12      ARG  41  29.630  -2.316  -4.944
  319   HH21  ARG  41          HH21      ARG  41  28.736   0.929  -6.074
  320   HH22  ARG  41          HH22      ARG  41  29.235   0.000  -4.710
  321    H    VAL  42           H        VAL  42  27.049  -1.531 -12.605
  322    HA   VAL  42           HA       VAL  42  25.518  -2.797 -14.807
  323    HB   VAL  42           HB       VAL  42  23.777  -1.959 -13.499
  324   HG11  VAL  42          HG11      VAL  42  23.786   0.378 -12.486
  325   HG12  VAL  42          HG12      VAL  42  24.965  -0.731 -11.757
  326   HG13  VAL  42          HG13      VAL  42  25.509   0.495 -12.910
  327   HG21  VAL  42          HG21      VAL  42  24.340   0.440 -15.257
  328   HG22  VAL  42          HG22      VAL  42  23.721  -1.125 -15.847
  329   HG23  VAL  42          HG23      VAL  42  22.778  -0.202 -14.661
  330    H    HIS  43           H        HIS  43  25.563  -1.437 -16.768
  331    HA   HIS  43           HA       HIS  43  28.351  -0.724 -17.192
  332    HB2  HIS  43           HB2      HIS  43  26.841  -0.538 -19.633
  333    HB3  HIS  43           HB3      HIS  43  28.033  -1.736 -19.147
  334    HD1  HIS  43           HD1      HIS  43  26.973  -4.004 -17.900
  335    HD2  HIS  43           HD2      HIS  43  24.303  -1.250 -19.611
  336    HE1  HIS  43           HE1      HIS  43  24.667  -5.086 -17.825
  337    HA   PRO  44           HA       PRO  44  28.102   3.593 -17.196
  338    HB2  PRO  44           HB2      PRO  44  29.722   4.423 -19.278
  339    HB3  PRO  44           HB3      PRO  44  30.334   3.672 -17.775
  340    HG2  PRO  44           HG2      PRO  44  29.718   2.280 -20.425
  341    HG3  PRO  44           HG3      PRO  44  31.229   2.201 -19.458
  342    HD2  PRO  44           HD2      PRO  44  29.388   0.286 -19.210
  343    HD3  PRO  44           HD3      PRO  44  30.151   0.955 -17.732
  344    H    THR  45           H        THR  45  27.642   2.367 -20.590
  345    HA   THR  45           HA       THR  45  26.266   4.682 -21.433
  346    HB   THR  45           HB       THR  45  26.037   1.952 -22.603
  347    HG1  THR  45           HG1      THR  45  27.955   2.418 -23.688
  348   HG21  THR  45          HG21      THR  45  25.896   3.214 -24.767
  349   HG22  THR  45          HG22      THR  45  24.551   3.580 -23.685
  350   HG23  THR  45          HG23      THR  45  25.882   4.742 -23.849
  351    H    ALA  46           H        ALA  46  25.049   1.785 -19.696
  352    HA   ALA  46           HA       ALA  46  22.268   2.479 -20.134
  353    HB1  ALA  46           HB1      ALA  46  21.804   1.142 -18.059
  354    HB2  ALA  46           HB2      ALA  46  22.750   0.244 -19.242
  355    HB3  ALA  46           HB3      ALA  46  23.557   0.957 -17.810
  356    H    ILE  47           H        ILE  47  24.641   3.288 -17.552
  357    HA   ILE  47           HA       ILE  47  22.755   4.844 -16.077
  358    HB   ILE  47           HB       ILE  47  25.789   5.064 -16.320
  359   HG12  ILE  47          HG12      ILE  47  24.214   3.885 -14.001
  360   HG13  ILE  47          HG13      ILE  47  24.759   2.910 -15.371
  361   HG21  ILE  47          HG21      ILE  47  25.742   6.357 -14.161
  362   HG22  ILE  47          HG22      ILE  47  24.921   7.216 -15.455
  363   HG23  ILE  47          HG23      ILE  47  23.968   6.359 -14.227
  364   HD11  ILE  47          HD11      ILE  47  26.560   4.409 -13.436
  365   HD12  ILE  47          HD12      ILE  47  26.351   2.661 -13.586
  366   HD13  ILE  47          HD13      ILE  47  27.116   3.562 -14.903
  367    H    ALA  48           H        ALA  48  24.898   5.808 -18.794
  368    HA   ALA  48           HA       ALA  48  24.142   8.530 -18.746
  369    HB1  ALA  48           HB1      ALA  48  25.029   8.625 -21.052
  370    HB2  ALA  48           HB2      ALA  48  26.108   7.696 -19.999
  371    HB3  ALA  48           HB3      ALA  48  25.031   6.852 -21.140
  372    H    MET  49           H        MET  49  22.714   5.823 -20.688
  373    HA   MET  49           HA       MET  49  20.777   7.507 -22.020
  374    HB2  MET  49           HB2      MET  49  20.911   4.503 -21.573
  375    HB3  MET  49           HB3      MET  49  19.781   5.308 -22.669
  376    HG2  MET  49           HG2      MET  49  22.820   5.472 -22.896
  377    HG3  MET  49           HG3      MET  49  21.829   4.362 -23.783
  378    HE1  MET  49           HE1      MET  49  23.056   8.471 -24.920
  379    HE2  MET  49           HE2      MET  49  22.718   8.146 -23.203
  380    HE3  MET  49           HE3      MET  49  23.889   7.136 -24.079
  381    H    MET  50           H        MET  50  20.772   5.626 -19.045
  382    HA   MET  50           HA       MET  50  17.934   5.824 -18.597
  383    HB2  MET  50           HB2      MET  50  20.207   5.051 -16.753
  384    HB3  MET  50           HB3      MET  50  18.505   4.882 -16.375
  385    HG2  MET  50           HG2      MET  50  20.136   2.936 -17.468
  386    HG3  MET  50           HG3      MET  50  18.441   2.850 -17.322
  387    HE1  MET  50           HE1      MET  50  18.058   0.983 -19.812
  388    HE2  MET  50           HE2      MET  50  19.648   0.983 -20.578
  389    HE3  MET  50           HE3      MET  50  19.514   0.872 -18.808
  390    H    GLU  51           H        GLU  51  20.856   7.718 -17.739
  391    HA   GLU  51           HA       GLU  51  19.404   9.652 -16.239
  392    HB2  GLU  51           HB2      GLU  51  21.791   9.291 -15.937
  393    HB3  GLU  51           HB3      GLU  51  22.113   9.847 -17.591
  394    HG2  GLU  51           HG2      GLU  51  21.342  12.099 -17.020
  395    HG3  GLU  51           HG3      GLU  51  20.812  11.546 -15.426
  396    H    GLU  52           H        GLU  52  19.677   9.054 -19.707
  397    HA   GLU  52           HA       GLU  52  18.881  11.701 -20.477
  398    HB2  GLU  52           HB2      GLU  52  18.190   9.162 -22.006
  399    HB3  GLU  52           HB3      GLU  52  17.944  10.797 -22.542
  400    HG2  GLU  52           HG2      GLU  52  20.344  11.257 -22.507
  401    HG3  GLU  52           HG3      GLU  52  20.674   9.607 -22.001
  402    H    VAL  53           H        VAL  53  17.097   8.825 -19.372
  403    HA   VAL  53           HA       VAL  53  14.601  10.428 -19.348
  404    HB   VAL  53           HB       VAL  53  13.554   8.357 -18.448
  405   HG11  VAL  53          HG11      VAL  53  13.455   7.325 -20.691
  406   HG12  VAL  53          HG12      VAL  53  13.345   9.087 -20.762
  407   HG13  VAL  53          HG13      VAL  53  14.874   8.300 -21.178
  408   HG21  VAL  53          HG21      VAL  53  14.620   6.185 -18.865
  409   HG22  VAL  53          HG22      VAL  53  16.152   7.016 -19.235
  410   HG23  VAL  53          HG23      VAL  53  15.452   7.091 -17.607
  411    H    GLY  54           H        GLY  54  17.139  10.848 -17.579
  412    HA2  GLY  54           HA2      GLY  54  17.427  11.955 -15.621
  413    HA3  GLY  54           HA3      GLY  54  15.671  12.022 -15.425
  414    H    ILE  55           H        ILE  55  17.009   8.810 -15.785
  415    HA   ILE  55           HA       ILE  55  16.301   8.234 -12.981
  416    HB   ILE  55           HB       ILE  55  16.681   6.450 -15.328
  417   HG12  ILE  55          HG12      ILE  55  14.298   7.608 -13.881
  418   HG13  ILE  55          HG13      ILE  55  14.665   7.679 -15.587
  419   HG21  ILE  55          HG21      ILE  55  17.378   5.270 -13.264
  420   HG22  ILE  55          HG22      ILE  55  15.809   5.666 -12.528
  421   HG23  ILE  55          HG23      ILE  55  15.920   4.590 -13.943
  422   HD11  ILE  55          HD11      ILE  55  14.174   5.235 -15.785
  423   HD12  ILE  55          HD12      ILE  55  13.744   5.236 -14.046
  424   HD13  ILE  55          HD13      ILE  55  12.802   6.185 -15.203
  425    H    ASP  56           H        ASP  56  17.719   7.508 -11.490
  426    HA   ASP  56           HA       ASP  56  20.583   7.194 -12.263
  427    HB2  ASP  56           HB2      ASP  56  20.313   8.865 -10.544
  428    HB3  ASP  56           HB3      ASP  56  19.274   7.791  -9.591
  429    H    ILE  57           H        ILE  57  21.440   5.203 -12.075
  430    HA   ILE  57           HA       ILE  57  19.894   2.993 -10.818
  431    HB   ILE  57           HB       ILE  57  21.213   1.610 -12.664
  432   HG12  ILE  57          HG12      ILE  57  20.370   3.976 -14.377
  433   HG13  ILE  57          HG13      ILE  57  22.002   3.927 -13.729
  434   HG21  ILE  57          HG21      ILE  57  18.743   1.550 -12.254
  435   HG22  ILE  57          HG22      ILE  57  18.555   2.993 -13.259
  436   HG23  ILE  57          HG23      ILE  57  19.126   1.463 -13.971
  437   HD11  ILE  57          HD11      ILE  57  20.889   1.585 -15.291
  438   HD12  ILE  57          HD12      ILE  57  21.677   2.961 -16.050
  439   HD13  ILE  57          HD13      ILE  57  22.572   1.979 -14.887
  440    H    SER  58           H        SER  58  23.147   3.483 -12.181
  441    HA   SER  58           HA       SER  58  25.199   2.968 -11.344
  442    HB2  SER  58           HB2      SER  58  25.898   4.697  -9.806
  443    HB3  SER  58           HB3      SER  58  24.825   5.325 -11.068
  444    HG   SER  58           HG       SER  58  23.401   5.866  -9.642
  445    H    GLY  59           H        GLY  59  24.193   3.501  -8.034
  446    HA2  GLY  59           HA2      GLY  59  25.514   1.083  -7.095
  447    HA3  GLY  59           HA3      GLY  59  24.704   2.321  -6.122
  448    H    GLN  60           H        GLN  60  23.747   0.055  -8.700
  449    HA   GLN  60           HA       GLN  60  21.100  -0.455  -7.791
  450    HB2  GLN  60           HB2      GLN  60  22.992  -2.152  -9.475
  451    HB3  GLN  60           HB3      GLN  60  21.267  -2.451  -9.338
  452    HG2  GLN  60           HG2      GLN  60  22.274   0.243 -10.348
  453    HG3  GLN  60           HG3      GLN  60  22.137  -1.156 -11.406
  454   HE21  GLN  60          HE22      GLN  60  20.063  -1.940 -12.026
  455   HE22  GLN  60          HE21      GLN  60  18.703  -0.826 -11.907
  456    H    THR  61           H        THR  61  24.207  -1.873  -6.937
  457    HA   THR  61           HA       THR  61  23.351  -4.458  -6.370
  458    HB   THR  61           HB       THR  61  25.715  -4.365  -5.078
  459    HG1  THR  61           HG1      THR  61  26.011  -2.132  -5.072
  460   HG21  THR  61          HG21      THR  61  25.437  -3.954  -8.080
  461   HG22  THR  61          HG22      THR  61  26.822  -4.679  -7.227
  462   HG23  THR  61          HG23      THR  61  25.248  -5.498  -7.217
  463    H    SER  62           H        SER  62  22.713  -5.491  -4.482
  464    HA   SER  62           HA       SER  62  22.112  -3.941  -2.066
  465    HB2  SER  62           HB2      SER  62  20.165  -5.152  -4.086
  466    HB3  SER  62           HB3      SER  62  19.696  -4.731  -2.420
  467    HG   SER  62           HG       SER  62  20.474  -3.035  -4.558
  468    H    ASP  63           H        ASP  63  20.779  -5.665  -0.679
  469    HA   ASP  63           HA       ASP  63  22.396  -7.887  -0.067
  470    HB2  ASP  63           HB2      ASP  63  19.586  -7.019   0.497
  471    HB3  ASP  63           HB3      ASP  63  20.045  -8.668   0.929
  472    HA   PRO  64           HA       PRO  64  21.056 -11.005  -3.014
  473    HB2  PRO  64           HB2      PRO  64  21.288 -13.319  -1.576
  474    HB3  PRO  64           HB3      PRO  64  22.711 -12.378  -2.110
  475    HG2  PRO  64           HG2      PRO  64  21.334 -12.269   0.614
  476    HG3  PRO  64           HG3      PRO  64  23.080 -12.485   0.268
  477    HD2  PRO  64           HD2      PRO  64  22.032 -10.053   0.835
  478    HD3  PRO  64           HD3      PRO  64  23.326 -10.222  -0.386
  479    H    ILE  65           H        ILE  65  19.201 -12.366  -3.436
  480    HA   ILE  65           HA       ILE  65  16.772 -11.559  -2.315
  481    HB   ILE  65           HB       ILE  65  17.292 -12.624  -4.532
  482   HG12  ILE  65          HG12      ILE  65  14.914 -13.881  -3.155
  483   HG13  ILE  65          HG13      ILE  65  14.981 -12.188  -3.633
  484   HG21  ILE  65          HG21      ILE  65  17.043 -15.274  -3.043
  485   HG22  ILE  65          HG22      ILE  65  17.159 -15.061  -4.780
  486   HG23  ILE  65          HG23      ILE  65  18.537 -14.625  -3.768
  487   HD11  ILE  65          HD11      ILE  65  15.057 -14.595  -5.492
  488   HD12  ILE  65          HD12      ILE  65  13.830 -13.326  -5.388
  489   HD13  ILE  65          HD13      ILE  65  15.432 -12.931  -6.017
  490    H    GLU  66           H        GLU  66  18.985 -13.973  -1.172
  491    HA   GLU  66           HA       GLU  66  17.174 -15.647   0.206
  492    HB2  GLU  66           HB2      GLU  66  20.070 -15.180   1.031
  493    HB3  GLU  66           HB3      GLU  66  19.119 -16.659   1.188
  494    HG2  GLU  66           HG2      GLU  66  19.078 -16.754  -1.358
  495    HG3  GLU  66           HG3      GLU  66  20.191 -15.374  -1.336
  496    H    ASN  67           H        ASN  67  18.705 -12.645   0.910
  497    HA   ASN  67           HA       ASN  67  18.528 -12.511   3.752
  498    HB2  ASN  67           HB2      ASN  67  19.817 -10.988   2.053
  499    HB3  ASN  67           HB3      ASN  67  18.287 -10.125   1.889
  500   HD21  ASN  67          HD22      ASN  67  20.837 -11.130   4.176
  501   HD22  ASN  67          HD21      ASN  67  20.519  -9.895   5.372
  502    H    PHE  68           H        PHE  68  16.080 -12.304   1.300
  503    HA   PHE  68           HA       PHE  68  14.156 -10.827   3.026
  504    HB2  PHE  68           HB2      PHE  68  14.245 -11.282   0.012
  505    HB3  PHE  68           HB3      PHE  68  12.992 -10.392   0.864
  506    HD1  PHE  68           HD2      PHE  68  13.523  -8.329   2.116
  507    HD2  PHE  68           HD1      PHE  68  16.315 -10.223  -0.520
  508    HE1  PHE  68           HE2      PHE  68  14.885  -6.218   2.058
  509    HE2  PHE  68           HE1      PHE  68  17.723  -8.149  -0.551
  510    HZ   PHE  68           HZ       PHE  68  16.990  -6.145   0.734
  511    H    ASN  69           H        ASN  69  11.805 -11.468   2.239
  512    HA   ASN  69           HA       ASN  69  11.580 -14.281   1.701
  513    HB2  ASN  69           HB2      ASN  69  11.165 -13.886   4.221
  514    HB3  ASN  69           HB3      ASN  69   9.795 -12.866   3.706
  515   HD21  ASN  69          HD22      ASN  69   9.317 -15.002   5.439
  516   HD22  ASN  69          HD21      ASN  69   8.437 -16.240   4.577
  517    H    ALA  70           H        ALA  70   9.662 -14.667   0.347
  518    HA   ALA  70           HA       ALA  70   9.076 -12.243  -1.090
  519    HB1  ALA  70           HB1      ALA  70   8.094 -13.680  -2.780
  520    HB2  ALA  70           HB2      ALA  70   9.591 -14.478  -2.267
  521    HB3  ALA  70           HB3      ALA  70   8.034 -15.046  -1.651
  522    H    ASP  71           H        ASP  71   7.711 -14.378   1.307
  523    HA   ASP  71           HA       ASP  71   5.023 -13.829   0.897
  524    HB2  ASP  71           HB2      ASP  71   5.827 -15.604   2.398
  525    HB3  ASP  71           HB3      ASP  71   6.502 -14.395   3.496
  526    H    ASP  72           H        ASP  72   7.554 -11.777   2.190
  527    HA   ASP  72           HA       ASP  72   5.839  -9.958   3.622
  528    HB2  ASP  72           HB2      ASP  72   8.265 -10.352   4.157
  529    HB3  ASP  72           HB3      ASP  72   8.665  -9.590   2.604
  530    H    TYR  73           H        TYR  73   6.939 -10.386   0.361
  531    HA   TYR  73           HA       TYR  73   6.598  -7.651  -0.479
  532    HB2  TYR  73           HB2      TYR  73   7.429 -10.204  -1.871
  533    HB3  TYR  73           HB3      TYR  73   6.950  -8.824  -2.815
  534    HD1  TYR  73           HD1      TYR  73   9.186  -9.475   0.176
  535    HD2  TYR  73           HD2      TYR  73   8.632  -7.450  -3.600
  536    HE1  TYR  73           HE1      TYR  73  11.462  -8.546   0.349
  537    HE2  TYR  73           HE2      TYR  73  10.919  -6.532  -3.427
  538    HH   TYR  73           HH       TYR  73  12.945  -6.699  -2.348
  539    H    ASP  74           H        ASP  74   5.268  -7.142  -2.426
  540    HA   ASP  74           HA       ASP  74   2.610  -8.534  -2.354
  541    HB2  ASP  74           HB2      ASP  74   2.506  -6.164  -1.726
  542    HB3  ASP  74           HB3      ASP  74   3.314  -5.728  -3.228
  543    H    VAL  75           H        VAL  75   5.224  -7.171  -4.481
  544    HA   VAL  75           HA       VAL  75   4.196  -8.884  -6.654
  545    HB   VAL  75           HB       VAL  75   3.246  -6.908  -7.282
  546   HG11  VAL  75          HG11      VAL  75   3.780  -5.385  -5.513
  547   HG12  VAL  75          HG12      VAL  75   5.421  -5.208  -6.133
  548   HG13  VAL  75          HG13      VAL  75   4.059  -4.613  -7.071
  549   HG21  VAL  75          HG21      VAL  75   4.803  -7.590  -9.085
  550   HG22  VAL  75          HG22      VAL  75   4.509  -5.837  -9.078
  551   HG23  VAL  75          HG23      VAL  75   6.027  -6.503  -8.439
  552    H    VAL  76           H        VAL  76   5.653  -9.730  -8.012
  553    HA   VAL  76           HA       VAL  76   8.497  -9.048  -7.713
  554    HB   VAL  76           HB       VAL  76   7.330 -11.840  -7.538
  555   HG11  VAL  76          HG11      VAL  76  10.206 -10.791  -7.289
  556   HG12  VAL  76          HG12      VAL  76   9.697 -12.459  -6.996
  557   HG13  VAL  76          HG13      VAL  76   9.547 -11.798  -8.607
  558   HG21  VAL  76          HG21      VAL  76   8.642 -10.266  -5.264
  559   HG22  VAL  76          HG22      VAL  76   6.927 -10.697  -5.369
  560   HG23  VAL  76          HG23      VAL  76   8.115 -11.965  -5.206
  561    H    ILE  77           H        ILE  77   9.578  -9.384  -9.657
  562    HA   ILE  77           HA       ILE  77   8.024 -10.269 -12.015
  563    HB   ILE  77           HB       ILE  77   9.598  -7.694 -11.601
  564   HG12  ILE  77          HG12      ILE  77   7.369  -7.563 -10.499
  565   HG13  ILE  77          HG13      ILE  77   7.635  -6.408 -11.771
  566   HG21  ILE  77          HG21      ILE  77   8.693  -7.107 -13.867
  567   HG22  ILE  77          HG22      ILE  77   9.990  -8.300 -13.821
  568   HG23  ILE  77          HG23      ILE  77   8.309  -8.827 -14.085
  569   HD11  ILE  77          HD11      ILE  77   5.339  -7.525 -11.706
  570   HD12  ILE  77          HD12      ILE  77   6.161  -7.511 -13.270
  571   HD13  ILE  77          HD13      ILE  77   6.129  -8.995 -12.291
  572    H    SER  78           H        SER  78   9.295 -11.298 -13.493
  573    HA   SER  78           HA       SER  78  12.207 -11.449 -12.977
  574    HB2  SER  78           HB2      SER  78  10.366 -13.390 -14.355
  575    HB3  SER  78           HB3      SER  78  12.140 -13.432 -14.483
  576    HG   SER  78           HG       SER  78  11.496 -14.773 -12.794
  577    H    LEU  79           H        LEU  79  13.497 -11.428 -15.045
  578    HA   LEU  79           HA       LEU  79  12.229  -9.653 -17.108
  579    HB2  LEU  79           HB2      LEU  79  14.910  -9.333 -15.721
  580    HB3  LEU  79           HB3      LEU  79  14.361  -8.356 -17.082
  581    HG   LEU  79           HG       LEU  79  12.840  -8.328 -14.452
  582   HD11  LEU  79          HD11      LEU  79  15.212  -7.704 -14.023
  583   HD12  LEU  79          HD12      LEU  79  15.178  -6.586 -15.406
  584   HD13  LEU  79          HD13      LEU  79  14.212  -6.252 -13.984
  585   HD21  LEU  79          HD21      LEU  79  13.016  -6.336 -16.729
  586   HD22  LEU  79          HD22      LEU  79  11.664  -7.469 -16.430
  587   HD23  LEU  79          HD23      LEU  79  12.026  -6.204 -15.257
  588    H    CYS  80           H        CYS  80  12.886 -12.610 -17.150
  589    HA   CYS  80           HA       CYS  80  14.255 -12.746 -19.603
  590    HB2  CYS  80           HB2      CYS  80  16.421 -13.756 -18.932
  591    HB3  CYS  80           HB3      CYS  80  16.266 -12.109 -18.364
  592    H    GLY  81           H        GLY  81  12.419 -14.324 -17.211
  593    HA2  GLY  81           HA2      GLY  81  11.907 -16.632 -18.494
  594    HA3  GLY  81           HA3      GLY  81  13.365 -17.055 -17.590
  595    H    SER  82           H        SER  82  11.311 -18.502 -16.892
  596    HA   SER  82           HA       SER  82  10.064 -17.291 -14.461
  597    HB2  SER  82           HB2      SER  82   8.952 -19.443 -16.297
  598    HB3  SER  82           HB3      SER  82   8.170 -18.790 -14.842
  599    HG   SER  82           HG       SER  82   7.457 -17.816 -16.862
  600    H    GLY  83           H        GLY  83  10.701 -18.236 -12.580
  601    HA2  GLY  83           HA2      GLY  83  11.760 -19.679 -11.122
  602    HA3  GLY  83           HA3      GLY  83  11.298 -21.003 -12.200
  603    H    VAL  84           H        VAL  84  13.289 -18.246 -13.232
  604    HA   VAL  84           HA       VAL  84  15.215 -20.102 -14.330
  605    HB   VAL  84           HB       VAL  84  14.291 -18.445 -15.698
  606   HG11  VAL  84          HG11      VAL  84  14.682 -16.033 -15.512
  607   HG12  VAL  84          HG12      VAL  84  13.713 -16.639 -14.176
  608   HG13  VAL  84          HG13      VAL  84  15.435 -16.258 -13.925
  609   HG21  VAL  84          HG21      VAL  84  16.593 -19.115 -16.189
  610   HG22  VAL  84          HG22      VAL  84  16.227 -17.476 -16.747
  611   HG23  VAL  84          HG23      VAL  84  17.201 -17.708 -15.281
  612    H    ASN  85           H        ASN  85  15.751 -20.856 -12.206
  613    HA   ASN  85           HA       ASN  85  17.295 -21.319 -10.626
  614    HB2  ASN  85           HB2      ASN  85  18.990 -20.816 -12.428
  615    HB3  ASN  85           HB3      ASN  85  19.142 -19.193 -11.752
  616   HD21  ASN  85          HD22      ASN  85  19.667 -19.155  -9.284
  617   HD22  ASN  85          HD21      ASN  85  20.830 -20.358  -8.728
  618    H    LEU  86           H        LEU  86  15.231 -20.198  -9.835
  619    HA   LEU  86           HA       LEU  86  15.838 -18.051  -7.931
  620    HB2  LEU  86           HB2      LEU  86  15.395 -16.727  -9.798
  621    HB3  LEU  86           HB3      LEU  86  14.208 -17.808 -10.463
  622    HG   LEU  86           HG       LEU  86  13.523 -16.545  -7.822
  623   HD11  LEU  86          HD11      LEU  86  13.479 -15.037 -10.483
  624   HD12  LEU  86          HD12      LEU  86  12.689 -14.499  -8.983
  625   HD13  LEU  86          HD13      LEU  86  14.448 -14.619  -9.056
  626   HD21  LEU  86          HD21      LEU  86  11.271 -16.445  -9.035
  627   HD22  LEU  86          HD22      LEU  86  12.061 -17.123 -10.476
  628   HD23  LEU  86          HD23      LEU  86  11.931 -18.083  -8.996
  629    HA   PRO  87           HA       PRO  87  13.097 -20.865  -5.998
  630    HB2  PRO  87           HB2      PRO  87  12.477 -18.803  -3.908
  631    HB3  PRO  87           HB3      PRO  87  13.032 -20.490  -3.706
  632    HG2  PRO  87           HG2      PRO  87  14.769 -18.408  -3.448
  633    HG3  PRO  87           HG3      PRO  87  15.260 -19.925  -4.272
  634    HD2  PRO  87           HD2      PRO  87  14.401 -17.305  -5.526
  635    HD3  PRO  87           HD3      PRO  87  15.752 -18.391  -5.938
  636    HA   PRO  88           HA       PRO  88   9.090 -20.019  -7.589
  637    HB2  PRO  88           HB2      PRO  88   7.950 -21.913  -5.535
  638    HB3  PRO  88           HB3      PRO  88   7.718 -21.907  -7.309
  639    HG2  PRO  88           HG2      PRO  88   9.414 -23.684  -6.172
  640    HG3  PRO  88           HG3      PRO  88   9.900 -22.817  -7.671
  641    HD2  PRO  88           HD2      PRO  88  10.649 -22.176  -4.796
  642    HD3  PRO  88           HD3      PRO  88  11.688 -22.287  -6.246
  643    H    GLU  89           H        GLU  89   9.251 -19.558  -4.020
  644    HA   GLU  89           HA       GLU  89   6.719 -18.284  -3.897
  645    HB2  GLU  89           HB2      GLU  89   7.562 -17.223  -1.849
  646    HB3  GLU  89           HB3      GLU  89   7.810 -18.951  -1.873
  647    HG2  GLU  89           HG2      GLU  89  10.113 -17.264  -2.829
  648    HG3  GLU  89           HG3      GLU  89   9.698 -17.172  -1.126
  649    H    TRP  90           H        TRP  90   9.560 -17.267  -5.537
  650    HA   TRP  90           HA       TRP  90   8.733 -14.445  -5.637
  651    HB2  TRP  90           HB2      TRP  90  11.001 -15.990  -6.852
  652    HB3  TRP  90           HB3      TRP  90  10.831 -14.258  -6.982
  653    HD1  TRP  90           HD1      TRP  90  12.308 -16.870  -4.904
  654    HE1  TRP  90           HE1      TRP  90  13.189 -16.036  -2.632
  655    HE3  TRP  90           HE3      TRP  90  10.288 -12.194  -4.948
  656    HZ2  TRP  90           HZ2      TRP  90  12.973 -13.629  -1.028
  657    HZ3  TRP  90           HZ3      TRP  90  10.545 -10.677  -3.020
  658    HH2  TRP  90           HH2      TRP  90  11.891 -11.364  -1.071
  659    H    VAL  91           H        VAL  91   8.248 -17.390  -7.554
  660    HA   VAL  91           HA       VAL  91   7.556 -15.824  -9.896
  661    HB   VAL  91           HB       VAL  91   7.162 -17.706 -11.061
  662   HG11  VAL  91          HG11      VAL  91   9.492 -18.472  -9.272
  663   HG12  VAL  91          HG12      VAL  91   9.175 -19.056 -10.913
  664   HG13  VAL  91          HG13      VAL  91   9.528 -17.334 -10.643
  665   HG21  VAL  91          HG21      VAL  91   5.758 -19.044  -9.535
  666   HG22  VAL  91          HG22      VAL  91   6.992 -19.999 -10.362
  667   HG23  VAL  91          HG23      VAL  91   7.217 -19.557  -8.672
  668    H    THR  92           H        THR  92   6.096 -16.572  -6.919
  669    HA   THR  92           HA       THR  92   3.409 -16.318  -8.065
  670    HB   THR  92           HB       THR  92   2.712 -17.253  -5.930
  671    HG1  THR  92           HG1      THR  92   4.264 -17.853  -4.403
  672   HG21  THR  92          HG21      THR  92   3.428 -18.781  -7.783
  673   HG22  THR  92          HG22      THR  92   5.068 -18.786  -7.116
  674   HG23  THR  92          HG23      THR  92   3.738 -19.481  -6.172
  675    H    GLN  93           H        GLN  93   3.442 -15.354  -4.858
  676    HA   GLN  93           HA       GLN  93   2.438 -13.561  -3.927
  677    HB2  GLN  93           HB2      GLN  93   4.245 -11.794  -5.631
  678    HB3  GLN  93           HB3      GLN  93   3.475 -11.418  -4.104
  679    HG2  GLN  93           HG2      GLN  93   5.715 -13.405  -4.526
  680    HG3  GLN  93           HG3      GLN  93   5.749 -11.928  -3.574
  681   HE21  GLN  93          HE22      GLN  93   5.925 -15.094  -3.073
  682   HE22  GLN  93          HE21      GLN  93   4.984 -15.267  -1.592
  683    H    GLU  94           H        GLU  94   1.566 -11.024  -4.777
  684    HA   GLU  94           HA       GLU  94  -0.943 -12.002  -5.718
  685    HB2  GLU  94           HB2      GLU  94   0.028  -9.144  -5.285
  686    HB3  GLU  94           HB3      GLU  94  -1.643  -9.614  -5.566
  687    HG2  GLU  94           HG2      GLU  94   0.057 -10.424  -3.169
  688    HG3  GLU  94           HG3      GLU  94  -1.246  -9.248  -3.183
  689    H    ILE  95           H        ILE  95   1.783 -10.639  -7.415
  690    HA   ILE  95           HA       ILE  95   0.499 -11.319  -9.915
  691    HB   ILE  95           HB       ILE  95  -0.138  -9.008  -9.894
  692   HG12  ILE  95          HG12      ILE  95   2.391  -9.062 -11.592
  693   HG13  ILE  95          HG13      ILE  95   0.957 -10.006 -12.006
  694   HG21  ILE  95          HG21      ILE  95   1.624  -7.170  -9.674
  695   HG22  ILE  95          HG22      ILE  95   1.265  -8.047  -8.183
  696   HG23  ILE  95          HG23      ILE  95   2.737  -8.406  -9.112
  697   HD11  ILE  95          HD11      ILE  95   1.071  -7.850 -13.239
  698   HD12  ILE  95          HD12      ILE  95  -0.400  -8.007 -12.254
  699   HD13  ILE  95          HD13      ILE  95   0.934  -6.969 -11.722
  700    H    PHE  96           H        PHE  96   1.987 -12.065 -11.356
  701    HA   PHE  96           HA       PHE  96   4.844 -11.665 -10.824
  702    HB2  PHE  96           HB2      PHE  96   4.441 -13.903 -10.064
  703    HB3  PHE  96           HB3      PHE  96   3.567 -14.307 -11.540
  704    HD1  PHE  96           HD1      PHE  96   6.906 -13.002 -10.370
  705    HD2  PHE  96           HD2      PHE  96   4.772 -15.327 -13.316
  706    HE1  PHE  96           HE1      PHE  96   9.054 -13.654 -11.410
  707    HE2  PHE  96           HE2      PHE  96   6.931 -15.982 -14.351
  708    HZ   PHE  96           HZ       PHE  96   9.069 -15.151 -13.409
  709    H    GLU  97           H        GLU  97   5.946 -11.240 -12.759
  710    HA   GLU  97           HA       GLU  97   4.694 -11.736 -15.322
  711    HB2  GLU  97           HB2      GLU  97   5.770  -8.969 -14.722
  712    HB3  GLU  97           HB3      GLU  97   5.219  -9.541 -16.257
  713    HG2  GLU  97           HG2      GLU  97   3.343  -9.283 -13.871
  714    HG3  GLU  97           HG3      GLU  97   3.672  -7.987 -15.004
  715    H    ASP  98           H        ASP  98   6.446 -11.070 -16.990
  716    HA   ASP  98           HA       ASP  98   9.115 -11.377 -16.402
  717    HB2  ASP  98           HB2      ASP  98   8.729 -13.705 -15.720
  718    HB3  ASP  98           HB3      ASP  98   7.839 -14.008 -17.221
  719    H    TRP  99           H        TRP  99  10.233 -10.982 -18.363
  720    HA   TRP  99           HA       TRP  99   8.593 -10.833 -20.832
  721    HB2  TRP  99           HB2      TRP  99   9.937  -8.501 -19.404
  722    HB3  TRP  99           HB3      TRP  99   9.224  -8.416 -21.029
  723    HD1  TRP  99           HD1      TRP  99   6.398  -9.579 -20.704
  724    HE1  TRP  99           HE1      TRP  99   4.645  -8.662 -19.065
  725    HE3  TRP  99           HE3      TRP  99   9.489  -7.134 -17.467
  726    HZ2  TRP  99           HZ2      TRP  99   4.554  -6.751 -16.909
  727    HZ3  TRP  99           HZ3      TRP  99   8.550  -5.868 -15.598
  728    HH2  TRP  99           HH2      TRP  99   6.095  -5.595 -15.321
  729    H    GLN 100           H        GLN 100   9.799 -10.879 -22.698
  730    HA   GLN 100           HA       GLN 100  12.685 -11.420 -22.485
  731    HB2  GLN 100           HB2      GLN 100  11.108 -12.787 -23.899
  732    HB3  GLN 100           HB3      GLN 100  10.895 -11.383 -24.946
  733    HG2  GLN 100           HG2      GLN 100  13.375 -11.418 -25.416
  734    HG3  GLN 100           HG3      GLN 100  13.535 -12.813 -24.347
  735   HE21  GLN 100          HE22      GLN 100  11.977 -11.691 -27.407
  736   HE22  GLN 100          HE21      GLN 100  11.838 -13.284 -28.115
  737    H    LEU 101           H        LEU 101  12.566  -9.135 -21.452
  738    HA   LEU 101           HA       LEU 101  12.546  -6.810 -23.235
  739    HB2  LEU 101           HB2      LEU 101  13.460  -7.389 -20.379
  740    HB3  LEU 101           HB3      LEU 101  13.931  -5.897 -21.157
  741    HG   LEU 101           HG       LEU 101  11.016  -6.714 -20.861
  742   HD11  LEU 101          HD11      LEU 101  11.015  -5.036 -18.996
  743   HD12  LEU 101          HD12      LEU 101  11.778  -6.601 -18.693
  744   HD13  LEU 101          HD13      LEU 101  12.806  -5.200 -18.987
  745   HD21  LEU 101          HD21      LEU 101  12.391  -4.248 -21.862
  746   HD22  LEU 101          HD22      LEU 101  11.116  -5.227 -22.604
  747   HD23  LEU 101          HD23      LEU 101  10.720  -4.219 -21.212
  748    H    GLU 102           H        GLU 102  14.333  -5.984 -24.386
  749    HA   GLU 102           HA       GLU 102  16.605  -7.685 -24.699
  750    HB2  GLU 102           HB2      GLU 102  15.812  -4.965 -25.705
  751    HB3  GLU 102           HB3      GLU 102  17.511  -5.425 -25.805
  752    HG2  GLU 102           HG2      GLU 102  15.183  -6.982 -26.978
  753    HG3  GLU 102           HG3      GLU 102  16.243  -5.876 -27.866
  754    H    ASP 103           H        ASP 103  18.787  -7.210 -24.105
  755    HA   ASP 103           HA       ASP 103  19.187  -5.449 -21.795
  756    HB2  ASP 103           HB2      ASP 103  19.674  -7.502 -20.872
  757    HB3  ASP 103           HB3      ASP 103  20.138  -8.219 -22.416
  758    HA   PRO 104           HA       PRO 104  21.377  -3.614 -25.246
  759    HB2  PRO 104           HB2      PRO 104  21.906  -1.211 -24.276
  760    HB3  PRO 104           HB3      PRO 104  20.221  -1.750 -24.538
  761    HG2  PRO 104           HG2      PRO 104  21.783  -1.789 -21.920
  762    HG3  PRO 104           HG3      PRO 104  20.151  -1.098 -22.215
  763    HD2  PRO 104           HD2      PRO 104  20.540  -3.645 -21.255
  764    HD3  PRO 104           HD3      PRO 104  19.179  -3.246 -22.343
  765    H    ASP 105           H        ASP 105  22.943  -4.832 -22.431
  766    HA   ASP 105           HA       ASP 105  25.353  -3.474 -22.318
  767    HB2  ASP 105           HB2      ASP 105  24.859  -5.162 -20.698
  768    HB3  ASP 105           HB3      ASP 105  24.808  -6.425 -21.934
  769    H    GLY 106           H        GLY 106  26.913  -3.120 -23.825
  770    HA2  GLY 106           HA2      GLY 106  28.422  -3.441 -25.497
  771    HA3  GLY 106           HA3      GLY 106  28.049  -5.169 -25.460
  772    H    GLN 107           H        GLN 107  25.120  -3.557 -26.016
  773    HA   GLN 107           HA       GLN 107  25.264  -4.083 -28.927
  774    HB2  GLN 107           HB2      GLN 107  22.854  -3.198 -27.311
  775    HB3  GLN 107           HB3      GLN 107  22.908  -3.812 -28.964
  776    HG2  GLN 107           HG2      GLN 107  24.011  -5.940 -27.653
  777    HG3  GLN 107           HG3      GLN 107  23.006  -5.254 -26.366
  778   HE21  GLN 107          HE22      GLN 107  21.152  -6.452 -26.197
  779   HE22  GLN 107          HE21      GLN 107  20.143  -6.943 -27.547
  780    H    SER 108           H        SER 108  24.126  -2.335 -30.316
  781    HA   SER 108           HA       SER 108  25.554   0.106 -30.099
  782    HB2  SER 108           HB2      SER 108  23.149  -0.575 -31.835
  783    HB3  SER 108           HB3      SER 108  24.354   0.689 -32.139
  784    HG   SER 108           HG       SER 108  24.808  -1.222 -33.341
  785    H    LEU 109           H        LEU 109  24.544   2.311 -30.097
  786    HA   LEU 109           HA       LEU 109  23.263   2.804 -27.683
  787    HB2  LEU 109           HB2      LEU 109  24.690   4.316 -29.265
  788    HB3  LEU 109           HB3      LEU 109  23.162   4.690 -30.060
  789    HG   LEU 109           HG       LEU 109  22.290   5.485 -27.798
  790   HD11  LEU 109          HD11      LEU 109  24.137   6.044 -26.110
  791   HD12  LEU 109          HD12      LEU 109  23.716   4.339 -26.212
  792   HD13  LEU 109          HD13      LEU 109  25.193   4.954 -27.005
  793   HD21  LEU 109          HD21      LEU 109  23.523   7.605 -27.846
  794   HD22  LEU 109          HD22      LEU 109  24.818   6.857 -28.809
  795   HD23  LEU 109          HD23      LEU 109  23.191   7.052 -29.495
  796    H    GLU 110           H        GLU 110  21.812   2.372 -30.856
  797    HA   GLU 110           HA       GLU 110  19.180   3.204 -30.386
  798    HB2  GLU 110           HB2      GLU 110  18.605   1.360 -32.075
  799    HB3  GLU 110           HB3      GLU 110  19.697   2.652 -32.600
  800    HG2  GLU 110           HG2      GLU 110  21.621   1.137 -32.332
  801    HG3  GLU 110           HG3      GLU 110  20.554  -0.139 -31.743
  802    H    VAL 111           H        VAL 111  20.785   0.216 -29.317
  803    HA   VAL 111           HA       VAL 111  18.285  -1.078 -28.619
  804    HB   VAL 111           HB       VAL 111  21.090  -1.811 -27.807
  805   HG11  VAL 111          HG11      VAL 111  20.272  -4.027 -27.446
  806   HG12  VAL 111          HG12      VAL 111  19.255  -2.948 -26.504
  807   HG13  VAL 111          HG13      VAL 111  18.640  -3.611 -28.035
  808   HG21  VAL 111          HG21      VAL 111  20.797  -3.462 -29.806
  809   HG22  VAL 111          HG22      VAL 111  19.453  -2.406 -30.315
  810   HG23  VAL 111          HG23      VAL 111  21.097  -1.766 -30.213
  811    H    PHE 112           H        PHE 112  20.850   0.679 -26.722
  812    HA   PHE 112           HA       PHE 112  19.529   0.455 -24.214
  813    HB2  PHE 112           HB2      PHE 112  21.087   2.815 -25.374
  814    HB3  PHE 112           HB3      PHE 112  20.527   2.686 -23.712
  815    HD1  PHE 112           HD2      PHE 112  22.952   1.293 -26.187
  816    HD2  PHE 112           HD1      PHE 112  21.645   1.343 -22.077
  817    HE1  PHE 112           HE2      PHE 112  25.023   0.131 -25.513
  818    HE2  PHE 112           HE1      PHE 112  23.720   0.137 -21.422
  819    HZ   PHE 112           HZ       PHE 112  25.418  -0.459 -23.135
  820    H    ARG 113           H        ARG 113  19.119   2.963 -26.775
  821    HA   ARG 113           HA       ARG 113  17.049   4.349 -25.373
  822    HB2  ARG 113           HB2      ARG 113  17.938   4.281 -28.286
  823    HB3  ARG 113           HB3      ARG 113  16.689   5.391 -27.698
  824    HG2  ARG 113           HG2      ARG 113  18.175   6.443 -26.146
  825    HG3  ARG 113           HG3      ARG 113  19.447   5.243 -26.378
  826    HD2  ARG 113           HD2      ARG 113  19.997   6.015 -28.529
  827    HD3  ARG 113           HD3      ARG 113  18.493   6.960 -28.673
  828    HE   ARG 113           HE       ARG 113  19.896   7.954 -26.416
  829   HH11  ARG 113          HH11      ARG 113  20.242   7.918 -29.973
  830   HH12  ARG 113          HH12      ARG 113  21.122   9.402 -30.025
  831   HH21  ARG 113          HH21      ARG 113  20.973   9.939 -26.502
  832   HH22  ARG 113          HH22      ARG 113  21.587  10.564 -28.002
  833    H    THR 114           H        THR 114  16.800   1.650 -27.756
  834    HA   THR 114           HA       THR 114  13.977   1.535 -27.883
  835    HB   THR 114           HB       THR 114  16.318  -0.360 -28.220
  836    HG1  THR 114           HG1      THR 114  16.075   0.973 -29.900
  837   HG21  THR 114          HG21      THR 114  13.422  -1.152 -28.482
  838   HG22  THR 114          HG22      THR 114  14.815  -2.035 -29.192
  839   HG23  THR 114          HG23      THR 114  14.693  -1.856 -27.440
  840    H    VAL 115           H        VAL 115  16.354  -0.034 -25.628
  841    HA   VAL 115           HA       VAL 115  14.391  -1.495 -24.236
  842    HB   VAL 115           HB       VAL 115  17.250  -0.686 -23.607
  843   HG11  VAL 115          HG11      VAL 115  17.239  -2.361 -21.776
  844   HG12  VAL 115          HG12      VAL 115  16.163  -1.016 -21.402
  845   HG13  VAL 115          HG13      VAL 115  15.492  -2.569 -21.963
  846   HG21  VAL 115          HG21      VAL 115  17.690  -3.033 -24.157
  847   HG22  VAL 115          HG22      VAL 115  15.940  -3.363 -24.229
  848   HG23  VAL 115          HG23      VAL 115  16.707  -2.371 -25.470
  849    H    ARG 116           H        ARG 116  15.575   1.836 -23.701
  850    HA   ARG 116           HA       ARG 116  14.170   2.248 -21.272
  851    HB2  ARG 116           HB2      ARG 116  14.512   4.246 -23.577
  852    HB3  ARG 116           HB3      ARG 116  13.961   4.614 -21.933
  853    HG2  ARG 116           HG2      ARG 116  16.211   3.555 -21.179
  854    HG3  ARG 116           HG3      ARG 116  16.741   3.801 -22.844
  855    HD2  ARG 116           HD2      ARG 116  15.506   6.048 -21.218
  856    HD3  ARG 116           HD3      ARG 116  17.169   5.586 -21.008
  857    HE   ARG 116           HE       ARG 116  17.789   6.613 -22.924
  858   HH11  ARG 116          HH11      ARG 116  14.191   6.534 -23.099
  859   HH12  ARG 116          HH12      ARG 116  14.151   7.700 -24.359
  860   HH21  ARG 116          HH21      ARG 116  17.644   8.237 -24.491
  861   HH22  ARG 116          HH22      ARG 116  16.109   8.642 -25.176
  862    H    GLY 117           H        GLY 117  12.938   2.578 -24.655
  863    HA2  GLY 117           HA2      GLY 117  10.276   3.287 -23.965
  864    HA3  GLY 117           HA3      GLY 117  10.812   2.547 -25.485
  865    H    GLN 118           H        GLN 118  11.720   0.065 -24.755
  866    HA   GLN 118           HA       GLN 118   9.405  -1.497 -24.497
  867    HB2  GLN 118           HB2      GLN 118  12.222  -2.304 -23.634
  868    HB3  GLN 118           HB3      GLN 118  10.843  -3.373 -23.893
  869    HG2  GLN 118           HG2      GLN 118  10.795  -2.591 -26.301
  870    HG3  GLN 118           HG3      GLN 118  12.370  -1.848 -26.002
  871   HE21  GLN 118          HE22      GLN 118  11.607  -4.141 -27.784
  872   HE22  GLN 118          HE21      GLN 118  12.653  -5.458 -27.297
  873    H    VAL 119           H        VAL 119  11.825  -0.706 -22.032
  874    HA   VAL 119           HA       VAL 119  10.473  -2.179 -19.966
  875    HB   VAL 119           HB       VAL 119  12.775  -0.180 -19.901
  876   HG11  VAL 119          HG11      VAL 119  11.756  -0.231 -17.687
  877   HG12  VAL 119          HG12      VAL 119  11.713  -2.013 -17.716
  878   HG13  VAL 119          HG13      VAL 119  13.276  -1.141 -17.691
  879   HG21  VAL 119          HG21      VAL 119  13.251  -2.288 -21.125
  880   HG22  VAL 119          HG22      VAL 119  14.109  -2.294 -19.583
  881   HG23  VAL 119          HG23      VAL 119  12.602  -3.227 -19.784
  882    H    LYS 120           H        LYS 120  10.517   1.354 -20.741
  883    HA   LYS 120           HA       LYS 120   9.076   2.194 -18.468
  884    HB2  LYS 120           HB2      LYS 120  10.041   3.684 -20.303
  885    HB3  LYS 120           HB3      LYS 120   8.710   3.160 -21.359
  886    HG2  LYS 120           HG2      LYS 120   7.079   4.106 -19.703
  887    HG3  LYS 120           HG3      LYS 120   8.437   4.655 -18.704
  888    HD2  LYS 120           HD2      LYS 120   9.216   6.118 -20.530
  889    HD3  LYS 120           HD3      LYS 120   7.912   5.516 -21.583
  890    HE2  LYS 120           HE2      LYS 120   6.223   6.364 -19.940
  891    HE3  LYS 120           HE3      LYS 120   7.532   7.019 -18.948
  892    HZ1  LYS 120           HZ1      LYS 120   6.897   7.867 -21.731
  893    HZ2  LYS 120           HZ2      LYS 120   6.557   8.713 -20.381
  894    HZ3  LYS 120           HZ3      LYS 120   8.112   8.485 -20.814
  895    H    GLU 121           H        GLU 121   7.886   0.913 -21.631
  896    HA   GLU 121           HA       GLU 121   5.156   1.222 -20.989
  897    HB2  GLU 121           HB2      GLU 121   6.089   1.075 -23.232
  898    HB3  GLU 121           HB3      GLU 121   6.576  -0.605 -22.970
  899    HG2  GLU 121           HG2      GLU 121   4.243  -1.304 -22.710
  900    HG3  GLU 121           HG3      GLU 121   3.694   0.374 -22.836
  901    H    ARG 122           H        ARG 122   7.311  -1.660 -20.632
  902    HA   ARG 122           HA       ARG 122   5.256  -3.402 -19.630
  903    HB2  ARG 122           HB2      ARG 122   8.269  -3.395 -19.074
  904    HB3  ARG 122           HB3      ARG 122   7.183  -4.700 -18.638
  905    HG2  ARG 122           HG2      ARG 122   7.760  -3.818 -21.497
  906    HG3  ARG 122           HG3      ARG 122   8.507  -5.184 -20.661
  907    HD2  ARG 122           HD2      ARG 122   6.304  -6.241 -20.433
  908    HD3  ARG 122           HD3      ARG 122   5.551  -4.889 -21.312
  909    HE   ARG 122           HE       ARG 122   7.641  -5.855 -22.919
  910   HH11  ARG 122          HH11      ARG 122   4.520  -7.064 -21.713
  911   HH12  ARG 122          HH12      ARG 122   4.255  -8.122 -23.051
  912   HH21  ARG 122          HH21      ARG 122   7.290  -7.281 -24.700
  913   HH22  ARG 122          HH22      ARG 122   5.867  -8.248 -24.771
  914    H    VAL 123           H        VAL 123   7.536  -1.265 -17.893
  915    HA   VAL 123           HA       VAL 123   6.614  -1.995 -15.276
  916    HB   VAL 123           HB       VAL 123   8.114   0.373 -16.337
  917   HG11  VAL 123          HG11      VAL 123   7.117   1.022 -14.193
  918   HG12  VAL 123          HG12      VAL 123   7.654  -0.497 -13.450
  919   HG13  VAL 123          HG13      VAL 123   8.838   0.722 -13.980
  920   HG21  VAL 123          HG21      VAL 123   9.287  -1.862 -16.532
  921   HG22  VAL 123          HG22      VAL 123  10.103  -0.709 -15.480
  922   HG23  VAL 123          HG23      VAL 123   9.148  -2.035 -14.773
  923    H    GLU 124           H        GLU 124   5.645   0.705 -17.538
  924    HA   GLU 124           HA       GLU 124   3.820   1.942 -15.760
  925    HB2  GLU 124           HB2      GLU 124   4.000   1.805 -18.796
  926    HB3  GLU 124           HB3      GLU 124   2.631   2.579 -17.997
  927    HG2  GLU 124           HG2      GLU 124   4.210   4.063 -16.766
  928    HG3  GLU 124           HG3      GLU 124   5.537   3.422 -17.732
  929    H    ASN 125           H        ASN 125   3.373  -0.708 -18.088
  930    HA   ASN 125           HA       ASN 125   0.577  -0.990 -17.694
  931    HB2  ASN 125           HB2      ASN 125   1.797  -2.043 -19.582
  932    HB3  ASN 125           HB3      ASN 125   2.656  -3.102 -18.455
  933   HD21  ASN 125          HD22      ASN 125  -0.585  -2.351 -19.814
  934   HD22  ASN 125          HD21      ASN 125  -1.294  -3.889 -19.389
  935    H    LEU 126           H        LEU 126   3.331  -2.614 -16.027
  936    HA   LEU 126           HA       LEU 126   1.830  -4.261 -14.316
  937    HB2  LEU 126           HB2      LEU 126   4.166  -4.595 -14.615
  938    HB3  LEU 126           HB3      LEU 126   4.556  -2.935 -14.172
  939    HG   LEU 126           HG       LEU 126   3.879  -3.355 -11.840
  940   HD11  LEU 126          HD11      LEU 126   3.538  -6.242 -12.823
  941   HD12  LEU 126          HD12      LEU 126   3.571  -5.747 -11.115
  942   HD13  LEU 126          HD13      LEU 126   2.266  -5.198 -12.168
  943   HD21  LEU 126          HD21      LEU 126   6.175  -3.507 -12.515
  944   HD22  LEU 126          HD22      LEU 126   5.838  -4.720 -11.267
  945   HD23  LEU 126          HD23      LEU 126   5.979  -5.204 -12.984
  946    H    ILE 127           H        ILE 127   3.001  -0.856 -13.806
  947    HA   ILE 127           HA       ILE 127   1.968  -0.588 -11.122
  948    HB   ILE 127           HB       ILE 127   2.747   1.341 -13.364
  949   HG12  ILE 127          HG12      ILE 127   4.116   0.633 -10.743
  950   HG13  ILE 127          HG13      ILE 127   4.513  -0.165 -12.248
  951   HG21  ILE 127          HG21      ILE 127   2.069   2.001 -10.463
  952   HG22  ILE 127          HG22      ILE 127   2.749   3.139 -11.654
  953   HG23  ILE 127          HG23      ILE 127   1.136   2.486 -11.902
  954   HD11  ILE 127          HD11      ILE 127   4.926   2.764 -11.602
  955   HD12  ILE 127          HD12      ILE 127   6.155   1.515 -11.862
  956   HD13  ILE 127          HD13      ILE 127   5.140   2.053 -13.220
  957    H    ALA 128           H        ALA 128   0.649   0.303 -14.392
  958    HA   ALA 128           HA       ALA 128  -1.801   1.303 -13.469
  959    HB1  ALA 128           HB1      ALA 128  -2.586   0.946 -15.758
  960    HB2  ALA 128           HB2      ALA 128  -0.914   1.552 -15.777
  961    HB3  ALA 128           HB3      ALA 128  -1.244  -0.167 -16.078
  962    H    LYS 129           H        LYS 129  -0.838  -2.137 -13.885
  963    HA   LYS 129           HA       LYS 129  -3.495  -3.149 -13.462
  964    HB2  LYS 129           HB2      LYS 129  -0.770  -4.450 -13.085
  965    HB3  LYS 129           HB3      LYS 129  -2.293  -5.263 -12.740
  966    HG2  LYS 129           HG2      LYS 129  -3.020  -4.992 -15.071
  967    HG3  LYS 129           HG3      LYS 129  -1.495  -4.179 -15.472
  968    HD2  LYS 129           HD2      LYS 129  -0.218  -6.183 -14.818
  969    HD3  LYS 129           HD3      LYS 129  -1.727  -7.007 -14.346
  970    HE2  LYS 129           HE2      LYS 129  -2.543  -6.664 -16.737
  971    HE3  LYS 129           HE3      LYS 129  -0.912  -6.104 -17.141
  972    HZ1  LYS 129           HZ1      LYS 129  -1.126  -8.431 -17.647
  973    HZ2  LYS 129           HZ2      LYS 129  -0.088  -8.316 -16.382
  974    HZ3  LYS 129           HZ3      LYS 129  -1.637  -8.806 -16.145
  975    H    ILE 130           H        ILE 130  -0.669  -2.861 -11.229
  976    HA   ILE 130           HA       ILE 130  -2.295  -3.774  -9.110
  977    HB   ILE 130           HB       ILE 130  -0.380  -3.604  -7.719
  978   HG12  ILE 130          HG12      ILE 130   0.922  -2.118 -10.015
  979   HG13  ILE 130          HG13      ILE 130   0.663  -1.547  -8.372
  980   HG21  ILE 130          HG21      ILE 130  -0.760  -5.497  -9.345
  981   HG22  ILE 130          HG22      ILE 130   0.445  -4.731 -10.415
  982   HG23  ILE 130          HG23      ILE 130   0.892  -5.283  -8.781
  983   HD11  ILE 130          HD11      ILE 130   2.566  -3.755  -9.229
  984   HD12  ILE 130          HD12      ILE 130   2.985  -2.134  -8.697
  985   HD13  ILE 130          HD13      ILE 130   2.258  -3.258  -7.533
  986    H    SER 131           H        SER 131  -1.286  -0.480  -9.913
  987    HA   SER 131           HA       SER 131  -2.209   0.509  -7.355
  988    HB2  SER 131           HB2      SER 131  -0.593   1.748  -9.585
  989    HB3  SER 131           HB3      SER 131  -1.031   2.557  -8.063
  990    HG   SER 131           HG       SER 131   1.077   1.501  -7.998
  Start of MODEL   13
    1    H    MET   1           H        MET   1   1.567   0.184   1.298
    2    HA   MET   1           HA       MET   1   1.847   0.031  -1.092
    3    HB2  MET   1           HB2      MET   1   3.984   0.327   0.823
    4    HB3  MET   1           HB3      MET   1   4.629  -0.603  -0.528
    5    HG2  MET   1           HG2      MET   1   4.274   1.064  -2.074
    6    HG3  MET   1           HG3      MET   1   3.104   1.943  -1.067
    7    HE1  MET   1           HE1      MET   1   6.388   4.191  -1.717
    8    HE2  MET   1           HE2      MET   1   6.104   2.743  -2.699
    9    HE3  MET   1           HE3      MET   1   4.748   3.838  -2.310
   10    H    LYS   2           H        LYS   2   2.327  -1.246  -2.967
   11    HA   LYS   2           HA       LYS   2   2.452  -4.186  -2.560
   12    HB2  LYS   2           HB2      LYS   2   2.632  -2.756  -5.239
   13    HB3  LYS   2           HB3      LYS   2   2.109  -4.383  -4.912
   14    HG2  LYS   2           HG2      LYS   2   0.054  -3.558  -3.812
   15    HG3  LYS   2           HG3      LYS   2   0.589  -1.886  -4.039
   16    HD2  LYS   2           HD2      LYS   2   0.696  -2.476  -6.575
   17    HD3  LYS   2           HD3      LYS   2  -0.349  -3.835  -6.157
   18    HE2  LYS   2           HE2      LYS   2  -0.921  -0.907  -5.418
   19    HE3  LYS   2           HE3      LYS   2  -1.445  -1.635  -6.928
   20    HZ1  LYS   2           HZ1      LYS   2  -3.202  -1.711  -5.267
   21    HZ2  LYS   2           HZ2      LYS   2  -2.784  -3.229  -5.674
   22    HZ3  LYS   2           HZ3      LYS   2  -2.299  -2.590  -4.236
   23    H    LYS   3           H        LYS   3   4.445  -5.126  -2.149
   24    HA   LYS   3           HA       LYS   3   6.839  -3.552  -2.840
   25    HB2  LYS   3           HB2      LYS   3   6.745  -6.327  -1.658
   26    HB3  LYS   3           HB3      LYS   3   8.164  -5.288  -1.837
   27    HG2  LYS   3           HG2      LYS   3   7.014  -3.580  -0.382
   28    HG3  LYS   3           HG3      LYS   3   5.713  -4.762  -0.104
   29    HD2  LYS   3           HD2      LYS   3   7.373  -6.355   0.839
   30    HD3  LYS   3           HD3      LYS   3   8.662  -5.141   0.602
   31    HE2  LYS   3           HE2      LYS   3   7.376  -3.518   1.967
   32    HE3  LYS   3           HE3      LYS   3   6.099  -4.730   2.191
   33    HZ1  LYS   3           HZ1      LYS   3   8.881  -4.898   3.239
   34    HZ2  LYS   3           HZ2      LYS   3   7.508  -4.795   4.122
   35    HZ3  LYS   3           HZ3      LYS   3   7.845  -6.169   3.266
   36    H    VAL   4           H        VAL   4   8.124  -3.866  -4.487
   37    HA   VAL   4           HA       VAL   4   7.250  -5.783  -6.587
   38    HB   VAL   4           HB       VAL   4   8.725  -3.257  -7.188
   39   HG11  VAL   4          HG11      VAL   4   8.143  -4.894  -9.003
   40   HG12  VAL   4          HG12      VAL   4   6.418  -4.631  -8.634
   41   HG13  VAL   4          HG13      VAL   4   7.394  -3.304  -9.253
   42   HG21  VAL   4          HG21      VAL   4   6.777  -1.891  -7.414
   43   HG22  VAL   4          HG22      VAL   4   5.732  -3.179  -6.739
   44   HG23  VAL   4          HG23      VAL   4   6.952  -2.357  -5.738
   45    H    MET   5           H        MET   5   8.876  -6.831  -7.655
   46    HA   MET   5           HA       MET   5  11.731  -6.176  -7.146
   47    HB2  MET   5           HB2      MET   5  11.207  -7.987  -5.623
   48    HB3  MET   5           HB3      MET   5  10.411  -8.908  -6.907
   49    HG2  MET   5           HG2      MET   5  12.438  -9.306  -8.050
   50    HG3  MET   5           HG3      MET   5  13.332  -8.156  -7.092
   51    HE1  MET   5           HE1      MET   5  13.705 -10.069  -3.634
   52    HE2  MET   5           HE2      MET   5  13.862  -8.511  -4.471
   53    HE3  MET   5           HE3      MET   5  12.265  -9.110  -3.998
   54    H    PHE   6           H        PHE   6  13.063  -6.667  -8.982
   55    HA   PHE   6           HA       PHE   6  11.768  -7.676 -11.418
   56    HB2  PHE   6           HB2      PHE   6  13.412  -5.104 -11.303
   57    HB3  PHE   6           HB3      PHE   6  12.873  -5.914 -12.757
   58    HD1  PHE   6           HD2      PHE   6  11.686  -4.095  -9.740
   59    HD2  PHE   6           HD1      PHE   6  10.776  -5.352 -13.767
   60    HE1  PHE   6           HE2      PHE   6   9.651  -2.681  -9.724
   61    HE2  PHE   6           HE1      PHE   6   8.786  -3.878 -13.763
   62    HZ   PHE   6           HZ       PHE   6   8.186  -2.588 -11.730
   63    H    VAL   7           H        VAL   7  13.060  -9.376 -11.979
   64    HA   VAL   7           HA       VAL   7  15.982  -9.144 -11.534
   65    HB   VAL   7           HB       VAL   7  15.228  -9.800  -9.428
   66   HG11  VAL   7          HG11      VAL   7  12.913 -10.354  -9.799
   67   HG12  VAL   7          HG12      VAL   7  13.362 -11.853 -10.657
   68   HG13  VAL   7          HG13      VAL   7  13.706 -11.660  -8.918
   69   HG21  VAL   7          HG21      VAL   7  15.940 -12.427 -10.766
   70   HG22  VAL   7          HG22      VAL   7  17.102 -11.159 -10.302
   71   HG23  VAL   7          HG23      VAL   7  16.145 -11.977  -9.055
   72    H    CYS   8           H        CYS   8  17.083 -10.054 -13.092
   73    HA   CYS   8           HA       CYS   8  15.835 -12.129 -14.831
   74    HB2  CYS   8           HB2      CYS   8  16.887  -9.645 -15.529
   75    HB3  CYS   8           HB3      CYS   8  18.253 -10.712 -15.787
   76    H    LYS   9           H        LYS   9  18.056 -13.394 -15.784
   77    HA   LYS   9           HA       LYS   9  18.789 -14.927 -13.453
   78    HB2  LYS   9           HB2      LYS   9  18.319 -15.785 -15.775
   79    HB3  LYS   9           HB3      LYS   9  19.854 -15.082 -16.316
   80    HG2  LYS   9           HG2      LYS   9  21.078 -16.588 -14.762
   81    HG3  LYS   9           HG3      LYS   9  19.532 -17.243 -14.177
   82    HD2  LYS   9           HD2      LYS   9  19.027 -18.111 -16.433
   83    HD3  LYS   9           HD3      LYS   9  20.516 -17.373 -17.066
   84    HE2  LYS   9           HE2      LYS   9  21.859 -18.777 -15.496
   85    HE3  LYS   9           HE3      LYS   9  20.375 -19.551 -14.921
   86    HZ1  LYS   9           HZ1      LYS   9  21.405 -19.675 -17.707
   87    HZ2  LYS   9           HZ2      LYS   9  21.484 -20.882 -16.611
   88    HZ3  LYS   9           HZ3      LYS   9  20.031 -20.400 -17.181
   89    H    ARG  10           H        ARG  10  20.401 -12.273 -15.122
   90    HA   ARG  10           HA       ARG  10  22.901 -12.727 -13.552
   91    HB2  ARG  10           HB2      ARG  10  22.837 -13.671 -15.967
   92    HB3  ARG  10           HB3      ARG  10  22.771 -12.001 -16.521
   93    HG2  ARG  10           HG2      ARG  10  25.002 -11.599 -15.457
   94    HG3  ARG  10           HG3      ARG  10  24.991 -13.258 -14.831
   95    HD2  ARG  10           HD2      ARG  10  26.353 -13.150 -16.857
   96    HD3  ARG  10           HD3      ARG  10  24.919 -14.148 -17.134
   97    HE   ARG  10           HE       ARG  10  25.003 -11.257 -17.901
   98   HH11  ARG  10          HH11      ARG  10  24.976 -14.606 -19.084
   99   HH12  ARG  10          HH12      ARG  10  24.386 -14.194 -20.655
  100   HH21  ARG  10          HH21      ARG  10  24.025 -10.727 -19.877
  101   HH22  ARG  10          HH22      ARG  10  23.911 -11.899 -21.153
  102    H    ASN  11           H        ASN  11  24.207 -10.700 -13.376
  103    HA   ASN  11           HA       ASN  11  22.561  -8.344 -12.962
  104    HB2  ASN  11           HB2      ASN  11  24.400  -7.479 -11.937
  105    HB3  ASN  11           HB3      ASN  11  24.932  -9.142 -11.888
  106   HD21  ASN  11          HD22      ASN  11  25.440  -5.944 -13.218
  107   HD22  ASN  11          HD21      ASN  11  26.767  -6.313 -14.302
  108    H    SER  12           H        SER  12  24.821  -9.367 -15.564
  109    HA   SER  12           HA       SER  12  24.541  -6.914 -17.072
  110    HB2  SER  12           HB2      SER  12  25.968  -8.391 -18.675
  111    HB3  SER  12           HB3      SER  12  26.653  -7.879 -17.129
  112    HG   SER  12           HG       SER  12  27.074 -10.035 -17.325
  113    H    SER  13           H        SER  13  22.086  -7.192 -16.950
  114    HA   SER  13           HA       SER  13  21.106  -8.494 -19.405
  115    HB2  SER  13           HB2      SER  13  19.629  -9.997 -18.235
  116    HB3  SER  13           HB3      SER  13  21.206 -10.215 -17.458
  117    HG   SER  13           HG       SER  13  20.418  -9.351 -15.667
  118    H    ARG  14           H        ARG  14  18.482  -8.376 -18.918
  119    HA   ARG  14           HA       ARG  14  17.557  -5.696 -19.062
  120    HB2  ARG  14           HB2      ARG  14  16.081  -8.207 -18.129
  121    HB3  ARG  14           HB3      ARG  14  15.326  -6.758 -18.795
  122    HG2  ARG  14           HG2      ARG  14  16.092  -7.181 -20.960
  123    HG3  ARG  14           HG3      ARG  14  17.213  -8.449 -20.436
  124    HD2  ARG  14           HD2      ARG  14  15.360  -9.842 -19.632
  125    HD3  ARG  14           HD3      ARG  14  14.185  -8.619 -20.188
  126    HE   ARG  14           HE       ARG  14  15.610  -8.936 -22.367
  127   HH11  ARG  14          HH11      ARG  14  13.805 -11.318 -20.482
  128   HH12  ARG  14          HH12      ARG  14  13.936 -12.590 -21.658
  129   HH21  ARG  14          HH21      ARG  14  15.783 -10.605 -23.966
  130   HH22  ARG  14          HH22      ARG  14  15.036 -12.140 -23.720
  131    H    SER  15           H        SER  15  18.394  -7.660 -16.171
  132    HA   SER  15           HA       SER  15  16.871  -6.508 -14.164
  133    HB2  SER  15           HB2      SER  15  19.843  -7.172 -14.102
  134    HB3  SER  15           HB3      SER  15  18.756  -7.084 -12.697
  135    HG   SER  15           HG       SER  15  19.211  -9.224 -13.784
  136    H    GLN  16           H        GLN  16  19.507  -4.920 -15.979
  137    HA   GLN  16           HA       GLN  16  20.127  -3.029 -13.990
  138    HB2  GLN  16           HB2      GLN  16  21.472  -1.959 -15.694
  139    HB3  GLN  16           HB3      GLN  16  21.570  -3.705 -15.905
  140    HG2  GLN  16           HG2      GLN  16  19.714  -3.422 -17.717
  141    HG3  GLN  16           HG3      GLN  16  20.013  -1.691 -17.585
  142   HE21  GLN  16          HE22      GLN  16  21.539  -4.828 -18.411
  143   HE22  GLN  16          HE21      GLN  16  22.669  -4.152 -19.532
  144    H    MET  17           H        MET  17  17.422  -2.827 -16.273
  145    HA   MET  17           HA       MET  17  17.229   0.078 -15.653
  146    HB2  MET  17           HB2      MET  17  17.705  -0.615 -17.971
  147    HB3  MET  17           HB3      MET  17  16.214  -1.512 -18.003
  148    HG2  MET  17           HG2      MET  17  15.945   0.471 -19.197
  149    HG3  MET  17           HG3      MET  17  14.903   0.569 -17.789
  150    HE1  MET  17           HE1      MET  17  16.984   2.190 -15.526
  151    HE2  MET  17           HE2      MET  17  16.517   3.806 -16.035
  152    HE3  MET  17           HE3      MET  17  15.258   2.557 -15.854
  153    H    ALA  18           H        ALA  18  15.250  -2.903 -15.601
  154    HA   ALA  18           HA       ALA  18  12.777  -1.477 -15.564
  155    HB1  ALA  18           HB1      ALA  18  11.734  -3.606 -15.212
  156    HB2  ALA  18           HB2      ALA  18  13.090  -3.845 -16.320
  157    HB3  ALA  18           HB3      ALA  18  13.253  -4.316 -14.610
  158    H    GLU  19           H        GLU  19  14.604  -2.782 -12.702
  159    HA   GLU  19           HA       GLU  19  12.668  -1.695 -10.872
  160    HB2  GLU  19           HB2      GLU  19  14.219  -2.095  -9.149
  161    HB3  GLU  19           HB3      GLU  19  14.478  -3.363 -10.319
  162    HG2  GLU  19           HG2      GLU  19  16.603  -2.763  -9.609
  163    HG3  GLU  19           HG3      GLU  19  16.460  -1.997 -11.195
  164    H    GLY  20           H        GLY  20  15.429  -0.354 -12.588
  165    HA2  GLY  20           HA2      GLY  20  15.824   2.138 -11.492
  166    HA3  GLY  20           HA3      GLY  20  15.929   1.754 -13.222
  167    H    PHE  21           H        PHE  21  13.373   1.286 -14.057
  168    HA   PHE  21           HA       PHE  21  12.232   3.951 -13.844
  169    HB2  PHE  21           HB2      PHE  21  11.578   1.457 -15.378
  170    HB3  PHE  21           HB3      PHE  21  10.281   2.611 -15.119
  171    HD1  PHE  21           HD1      PHE  21  10.897   5.188 -15.426
  172    HD2  PHE  21           HD2      PHE  21  13.046   1.861 -17.155
  173    HE1  PHE  21           HE1      PHE  21  11.704   6.647 -17.291
  174    HE2  PHE  21           HE2      PHE  21  13.939   3.323 -18.909
  175    HZ   PHE  21           HZ       PHE  21  13.199   5.719 -19.046
  176    H    ALA  22           H        ALA  22  11.426   0.868 -12.240
  177    HA   ALA  22           HA       ALA  22   8.755   1.691 -11.748
  178    HB1  ALA  22           HB1      ALA  22   8.647  -0.225 -10.241
  179    HB2  ALA  22           HB2      ALA  22   9.631  -0.633 -11.676
  180    HB3  ALA  22           HB3      ALA  22  10.434  -0.283 -10.133
  181    H    LYS  23           H        LYS  23  11.726   2.291  -9.830
  182    HA   LYS  23           HA       LYS  23  10.366   3.465  -7.585
  183    HB2  LYS  23           HB2      LYS  23  12.493   4.477  -7.019
  184    HB3  LYS  23           HB3      LYS  23  12.821   2.895  -7.717
  185    HG2  LYS  23           HG2      LYS  23  12.986   4.292  -9.969
  186    HG3  LYS  23           HG3      LYS  23  13.202   5.667  -8.930
  187    HD2  LYS  23           HD2      LYS  23  15.250   4.663  -9.954
  188    HD3  LYS  23           HD3      LYS  23  15.332   4.901  -8.187
  189    HE2  LYS  23           HE2      LYS  23  14.827   2.486  -7.823
  190    HE3  LYS  23           HE3      LYS  23  14.688   2.254  -9.569
  191    HZ1  LYS  23           HZ1      LYS  23  17.043   2.846  -9.731
  192    HZ2  LYS  23           HZ2      LYS  23  17.186   2.944  -8.115
  193    HZ3  LYS  23           HZ3      LYS  23  16.770   1.500  -8.858
  194    H    THR  24           H        THR  24  10.987   4.764 -10.849
  195    HA   THR  24           HA       THR  24  10.362   7.458 -10.138
  196    HB   THR  24           HB       THR  24  11.099   5.917 -12.597
  197    HG1  THR  24           HG1      THR  24  12.333   8.076 -11.208
  198   HG21  THR  24          HG21      THR  24  10.219   8.804 -12.510
  199   HG22  THR  24          HG22      THR  24  11.222   8.091 -13.803
  200   HG23  THR  24          HG23      THR  24   9.595   7.454 -13.510
  201    H    LEU  25           H        LEU  25   8.820   4.970 -12.159
  202    HA   LEU  25           HA       LEU  25   6.512   6.590 -12.707
  203    HB2  LEU  25           HB2      LEU  25   6.998   3.598 -13.016
  204    HB3  LEU  25           HB3      LEU  25   5.635   4.465 -13.731
  205    HG   LEU  25           HG       LEU  25   8.555   5.061 -14.347
  206   HD11  LEU  25          HD11      LEU  25   6.548   3.290 -15.769
  207   HD12  LEU  25          HD12      LEU  25   8.084   3.831 -16.490
  208   HD13  LEU  25          HD13      LEU  25   8.084   2.829 -15.039
  209   HD21  LEU  25          HD21      LEU  25   7.077   6.978 -14.842
  210   HD22  LEU  25          HD22      LEU  25   7.669   6.239 -16.331
  211   HD23  LEU  25          HD23      LEU  25   6.007   5.918 -15.786
  212    H    GLY  26           H        GLY  26   7.164   4.030 -10.307
  213    HA2  GLY  26           HA2      GLY  26   4.332   4.029  -9.430
  214    HA3  GLY  26           HA3      GLY  26   5.572   2.810  -9.116
  215    H    ALA  27           H        ALA  27   6.755   5.993  -8.670
  216    HA   ALA  27           HA       ALA  27   7.859   5.644  -6.305
  217    HB1  ALA  27           HB1      ALA  27   6.633   8.292  -7.218
  218    HB2  ALA  27           HB2      ALA  27   7.972   8.105  -6.073
  219    HB3  ALA  27           HB3      ALA  27   8.181   7.639  -7.774
  220    H    GLY  28           H        GLY  28   4.644   7.198  -6.483
  221    HA2  GLY  28           HA2      GLY  28   4.393   7.175  -3.546
  222    HA3  GLY  28           HA3      GLY  28   3.302   7.927  -4.710
  223    H    LYS  29           H        LYS  29   4.035   4.653  -5.532
  224    HA   LYS  29           HA       LYS  29   1.315   3.822  -4.556
  225    HB2  LYS  29           HB2      LYS  29   2.533   3.077  -7.242
  226    HB3  LYS  29           HB3      LYS  29   0.883   2.804  -6.667
  227    HG2  LYS  29           HG2      LYS  29   0.584   5.313  -6.581
  228    HG3  LYS  29           HG3      LYS  29   2.193   5.484  -7.327
  229    HD2  LYS  29           HD2      LYS  29   1.418   4.148  -9.278
  230    HD3  LYS  29           HD3      LYS  29  -0.204   4.057  -8.583
  231    HE2  LYS  29           HE2      LYS  29   1.261   6.657  -9.255
  232    HE3  LYS  29           HE3      LYS  29   0.142   5.843 -10.354
  233    HZ1  LYS  29           HZ1      LYS  29  -0.973   7.600  -9.161
  234    HZ2  LYS  29           HZ2      LYS  29  -1.628   6.174  -8.711
  235    HZ3  LYS  29           HZ3      LYS  29  -0.601   6.973  -7.704
  236    H    ILE  30           H        ILE  30   4.503   2.595  -5.728
  237    HA   ILE  30           HA       ILE  30   4.107   0.115  -4.120
  238    HB   ILE  30           HB       ILE  30   4.663  -1.243  -6.050
  239   HG12  ILE  30          HG12      ILE  30   4.611   1.329  -7.701
  240   HG13  ILE  30          HG13      ILE  30   6.044   0.362  -7.365
  241   HG21  ILE  30          HG21      ILE  30   2.253  -0.552  -5.542
  242   HG22  ILE  30          HG22      ILE  30   2.374   0.564  -6.914
  243   HG23  ILE  30          HG23      ILE  30   2.568  -1.174  -7.172
  244   HD11  ILE  30          HD11      ILE  30   5.392  -0.176  -9.580
  245   HD12  ILE  30          HD12      ILE  30   4.876  -1.566  -8.612
  246   HD13  ILE  30          HD13      ILE  30   3.679  -0.366  -9.142
  247    H    ALA  31           H        ALA  31   6.025  -1.057  -3.689
  248    HA   ALA  31           HA       ALA  31   8.321   0.828  -3.316
  249    HB1  ALA  31           HB1      ALA  31   7.352  -1.520  -1.611
  250    HB2  ALA  31           HB2      ALA  31   8.692  -0.429  -1.242
  251    HB3  ALA  31           HB3      ALA  31   7.035   0.212  -1.293
  252    H    VAL  32           H        VAL  32   9.839   0.265  -4.916
  253    HA   VAL  32           HA       VAL  32  10.139  -2.601  -5.610
  254    HB   VAL  32           HB       VAL  32   9.974  -1.047  -7.409
  255   HG11  VAL  32          HG11      VAL  32  12.547   0.266  -6.441
  256   HG12  VAL  32          HG12      VAL  32  11.784   0.514  -8.015
  257   HG13  VAL  32          HG13      VAL  32  10.944   1.027  -6.544
  258   HG21  VAL  32          HG21      VAL  32  12.793  -2.163  -7.225
  259   HG22  VAL  32          HG22      VAL  32  11.337  -3.128  -7.593
  260   HG23  VAL  32          HG23      VAL  32  11.852  -1.831  -8.696
  261    H    THR  33           H        THR  33  11.578  -3.903  -4.793
  262    HA   THR  33           HA       THR  33  14.182  -2.943  -3.910
  263    HB   THR  33           HB       THR  33  12.487  -4.873  -2.309
  264    HG1  THR  33           HG1      THR  33  12.147  -3.261  -0.799
  265   HG21  THR  33          HG21      THR  33  15.142  -3.505  -1.649
  266   HG22  THR  33          HG22      THR  33  14.230  -4.555  -0.538
  267   HG23  THR  33          HG23      THR  33  14.901  -5.230  -2.022
  268    H    SER  34           H        SER  34  15.451  -4.152  -5.355
  269    HA   SER  34           HA       SER  34  14.335  -6.791  -6.107
  270    HB2  SER  34           HB2      SER  34  16.012  -4.952  -7.819
  271    HB3  SER  34           HB3      SER  34  15.386  -6.540  -8.273
  272    HG   SER  34           HG       SER  34  13.909  -4.176  -7.662
  273    H    SER  35           H        SER  35  16.531  -5.967  -3.996
  274    HA   SER  35           HA       SER  35  18.293  -7.061  -3.051
  275    HB2  SER  35           HB2      SER  35  17.040  -9.541  -4.255
  276    HB3  SER  35           HB3      SER  35  17.800  -9.340  -2.666
  277    HG   SER  35           HG       SER  35  15.980  -8.088  -2.046
  278    H    GLY  36           H        GLY  36  19.094  -9.865  -4.484
  279    HA2  GLY  36           HA2      GLY  36  20.114  -9.227  -6.963
  280    HA3  GLY  36           HA3      GLY  36  21.473  -9.116  -5.805
  281    H    LEU  37           H        LEU  37  21.124 -11.145  -7.887
  282    HA   LEU  37           HA       LEU  37  20.841 -13.560  -6.243
  283    HB2  LEU  37           HB2      LEU  37  20.699 -13.063  -9.224
  284    HB3  LEU  37           HB3      LEU  37  20.960 -14.687  -8.582
  285    HG   LEU  37           HG       LEU  37  18.573 -12.968  -7.780
  286   HD11  LEU  37          HD11      LEU  37  18.779 -15.104  -9.955
  287   HD12  LEU  37          HD12      LEU  37  17.274 -14.340  -9.424
  288   HD13  LEU  37          HD13      LEU  37  18.528 -13.367 -10.216
  289   HD21  LEU  37          HD21      LEU  37  17.612 -15.102  -7.060
  290   HD22  LEU  37          HD22      LEU  37  19.052 -15.980  -7.609
  291   HD23  LEU  37          HD23      LEU  37  19.155 -14.858  -6.243
  292    H    GLU  38           H        GLU  38  22.873 -12.023  -8.700
  293    HA   GLU  38           HA       GLU  38  25.256 -12.785  -7.166
  294    HB2  GLU  38           HB2      GLU  38  24.764 -13.259 -10.085
  295    HB3  GLU  38           HB3      GLU  38  26.403 -12.846  -9.474
  296    HG2  GLU  38           HG2      GLU  38  26.232 -14.603  -7.778
  297    HG3  GLU  38           HG3      GLU  38  24.665 -15.104  -8.422
  298    H    SER  39           H        SER  39  24.681 -11.025  -6.321
  299    HA   SER  39           HA       SER  39  24.480  -8.988  -5.687
  300    HB2  SER  39           HB2      SER  39  26.726  -8.394  -7.641
  301    HB3  SER  39           HB3      SER  39  26.366  -7.483  -6.153
  302    HG   SER  39           HG       SER  39  28.118  -9.005  -5.863
  303    H    SER  40           H        SER  40  24.250  -9.066  -9.160
  304    HA   SER  40           HA       SER  40  22.856  -7.964 -10.501
  305    HB2  SER  40           HB2      SER  40  21.538  -7.764  -7.835
  306    HB3  SER  40           HB3      SER  40  20.646  -7.475  -9.368
  307    HG   SER  40           HG       SER  40  21.026  -9.623  -9.951
  308    H    ARG  41           H        ARG  41  24.945  -6.204  -9.230
  309    HA   ARG  41           HA       ARG  41  23.782  -3.540  -9.353
  310    HB2  ARG  41           HB2      ARG  41  26.222  -4.429  -8.408
  311    HB3  ARG  41           HB3      ARG  41  26.676  -3.685  -9.955
  312    HG2  ARG  41           HG2      ARG  41  25.594  -1.586  -9.328
  313    HG3  ARG  41           HG3      ARG  41  24.983  -2.301  -7.835
  314    HD2  ARG  41           HD2      ARG  41  27.308  -2.627  -7.043
  315    HD3  ARG  41           HD3      ARG  41  27.916  -1.883  -8.543
  316    HE   ARG  41           HE       ARG  41  26.020  -0.132  -7.355
  317   HH11  ARG  41          HH11      ARG  41  29.289  -1.357  -6.656
  318   HH12  ARG  41          HH12      ARG  41  29.756   0.017  -5.720
  319   HH21  ARG  41          HH21      ARG  41  26.634   1.686  -6.112
  320   HH22  ARG  41          HH22      ARG  41  28.205   1.793  -5.401
  321    H    VAL  42           H        VAL  42  25.149  -2.105 -11.217
  322    HA   VAL  42           HA       VAL  42  24.388  -3.355 -13.811
  323    HB   VAL  42           HB       VAL  42  23.321  -1.279 -14.298
  324   HG11  VAL  42          HG11      VAL  42  21.464  -1.335 -12.816
  325   HG12  VAL  42          HG12      VAL  42  22.113  -2.993 -12.831
  326   HG13  VAL  42          HG13      VAL  42  22.443  -1.915 -11.457
  327   HG21  VAL  42          HG21      VAL  42  23.167   0.561 -12.605
  328   HG22  VAL  42          HG22      VAL  42  24.397  -0.279 -11.627
  329   HG23  VAL  42          HG23      VAL  42  24.785   0.321 -13.261
  330    H    HIS  43           H        HIS  43  25.084  -1.370 -15.530
  331    HA   HIS  43           HA       HIS  43  28.054  -1.458 -15.401
  332    HB2  HIS  43           HB2      HIS  43  26.067  -1.760 -17.691
  333    HB3  HIS  43           HB3      HIS  43  27.798  -1.619 -17.940
  334    HD1  HIS  43           HD1      HIS  43  29.335  -3.712 -17.018
  335    HD2  HIS  43           HD2      HIS  43  25.157  -4.084 -16.611
  336    HE1  HIS  43           HE1      HIS  43  28.891  -6.098 -16.256
  337    HA   PRO  44           HA       PRO  44  28.493   2.842 -15.521
  338    HB2  PRO  44           HB2      PRO  44  30.297   3.376 -17.577
  339    HB3  PRO  44           HB3      PRO  44  30.738   2.661 -16.001
  340    HG2  PRO  44           HG2      PRO  44  30.056   1.155 -18.576
  341    HG3  PRO  44           HG3      PRO  44  31.530   0.984 -17.550
  342    HD2  PRO  44           HD2      PRO  44  29.546  -0.707 -17.191
  343    HD3  PRO  44           HD3      PRO  44  30.210   0.078 -15.733
  344    H    THR  45           H        THR  45  28.269   1.738 -18.980
  345    HA   THR  45           HA       THR  45  27.141   4.138 -19.893
  346    HB   THR  45           HB       THR  45  26.747   1.478 -21.177
  347    HG1  THR  45           HG1      THR  45  28.870   1.642 -21.957
  348   HG21  THR  45          HG21      THR  45  27.316   4.265 -22.302
  349   HG22  THR  45          HG22      THR  45  27.111   2.786 -23.270
  350   HG23  THR  45          HG23      THR  45  25.750   3.434 -22.339
  351    H    ALA  46           H        ALA  46  25.588   1.309 -18.374
  352    HA   ALA  46           HA       ALA  46  22.905   2.070 -19.049
  353    HB1  ALA  46           HB1      ALA  46  22.172   0.605 -17.321
  354    HB2  ALA  46           HB2      ALA  46  23.677  -0.156 -17.875
  355    HB3  ALA  46           HB3      ALA  46  23.657   0.777 -16.363
  356    H    ILE  47           H        ILE  47  24.972   2.770 -16.201
  357    HA   ILE  47           HA       ILE  47  22.974   4.368 -14.982
  358    HB   ILE  47           HB       ILE  47  26.027   4.553 -14.750
  359   HG12  ILE  47          HG12      ILE  47  24.150   3.283 -12.732
  360   HG13  ILE  47          HG13      ILE  47  24.751   2.356 -14.100
  361   HG21  ILE  47          HG21      ILE  47  25.094   6.642 -13.895
  362   HG22  ILE  47          HG22      ILE  47  23.858   5.768 -12.982
  363   HG23  ILE  47          HG23      ILE  47  25.565   5.650 -12.505
  364   HD11  ILE  47          HD11      ILE  47  26.555   3.710 -12.057
  365   HD12  ILE  47          HD12      ILE  47  26.131   1.991 -12.103
  366   HD13  ILE  47          HD13      ILE  47  27.068   2.706 -13.425
  367    H    ALA  48           H        ALA  48  25.538   5.273 -17.324
  368    HA   ALA  48           HA       ALA  48  25.042   8.047 -17.214
  369    HB1  ALA  48           HB1      ALA  48  27.027   7.049 -18.321
  370    HB2  ALA  48           HB2      ALA  48  25.983   6.384 -19.604
  371    HB3  ALA  48           HB3      ALA  48  26.161   8.141 -19.420
  372    H    MET  49           H        MET  49  23.553   5.574 -19.402
  373    HA   MET  49           HA       MET  49  21.939   7.564 -20.765
  374    HB2  MET  49           HB2      MET  49  21.719   4.538 -20.638
  375    HB3  MET  49           HB3      MET  49  20.828   5.589 -21.756
  376    HG2  MET  49           HG2      MET  49  23.862   5.300 -21.619
  377    HG3  MET  49           HG3      MET  49  22.844   4.574 -22.812
  378    HE1  MET  49           HE1      MET  49  24.938   8.458 -23.029
  379    HE2  MET  49           HE2      MET  49  24.383   7.863 -21.447
  380    HE3  MET  49           HE3      MET  49  25.404   6.829 -22.467
  381    H    MET  50           H        MET  50  21.511   5.478 -17.966
  382    HA   MET  50           HA       MET  50  18.669   5.931 -17.791
  383    HB2  MET  50           HB2      MET  50  20.602   4.829 -15.748
  384    HB3  MET  50           HB3      MET  50  18.851   4.781 -15.644
  385    HG2  MET  50           HG2      MET  50  20.610   2.896 -16.845
  386    HG3  MET  50           HG3      MET  50  18.906   2.779 -16.619
  387    HE1  MET  50           HE1      MET  50  20.590   1.084 -19.081
  388    HE2  MET  50           HE2      MET  50  18.985   0.948 -18.367
  389    HE3  MET  50           HE3      MET  50  19.147   1.165 -20.107
  390    H    GLU  51           H        GLU  51  21.618   7.491 -16.495
  391    HA   GLU  51           HA       GLU  51  20.159   9.429 -15.001
  392    HB2  GLU  51           HB2      GLU  51  23.023   9.229 -15.960
  393    HB3  GLU  51           HB3      GLU  51  22.430  10.700 -15.208
  394    HG2  GLU  51           HG2      GLU  51  22.020   8.040 -13.819
  395    HG3  GLU  51           HG3      GLU  51  23.575   8.871 -13.754
  396    H    GLU  52           H        GLU  52  20.753   9.019 -18.429
  397    HA   GLU  52           HA       GLU  52  20.283  11.787 -19.062
  398    HB2  GLU  52           HB2      GLU  52  19.470   9.430 -20.802
  399    HB3  GLU  52           HB3      GLU  52  19.406  11.112 -21.254
  400    HG2  GLU  52           HG2      GLU  52  21.827  11.339 -21.033
  401    HG3  GLU  52           HG3      GLU  52  21.968   9.636 -20.624
  402    H    VAL  53           H        VAL  53  18.215   9.015 -18.293
  403    HA   VAL  53           HA       VAL  53  15.846  10.832 -18.346
  404    HB   VAL  53           HB       VAL  53  15.609   8.655 -19.367
  405   HG11  VAL  53          HG11      VAL  53  15.793   7.542 -16.559
  406   HG12  VAL  53          HG12      VAL  53  15.170   6.639 -17.950
  407   HG13  VAL  53          HG13      VAL  53  16.853   7.178 -17.935
  408   HG21  VAL  53          HG21      VAL  53  13.387   8.218 -18.665
  409   HG22  VAL  53          HG22      VAL  53  13.657   8.958 -17.078
  410   HG23  VAL  53          HG23      VAL  53  13.654   9.964 -18.543
  411    H    GLY  54           H        GLY  54  18.312  10.674 -16.353
  412    HA2  GLY  54           HA2      GLY  54  18.648  11.545 -14.303
  413    HA3  GLY  54           HA3      GLY  54  16.930  11.964 -14.225
  414    H    ILE  55           H        ILE  55  17.930   8.606 -14.706
  415    HA   ILE  55           HA       ILE  55  16.680   7.951 -12.108
  416    HB   ILE  55           HB       ILE  55  16.819   6.567 -14.725
  417   HG12  ILE  55          HG12      ILE  55  14.687   7.619 -12.834
  418   HG13  ILE  55          HG13      ILE  55  14.973   8.061 -14.511
  419   HG21  ILE  55          HG21      ILE  55  15.834   4.542 -13.796
  420   HG22  ILE  55          HG22      ILE  55  17.426   4.825 -13.142
  421   HG23  ILE  55          HG23      ILE  55  15.992   5.203 -12.153
  422   HD11  ILE  55          HD11      ILE  55  12.983   6.766 -14.463
  423   HD12  ILE  55          HD12      ILE  55  14.219   5.667 -15.108
  424   HD13  ILE  55          HD13      ILE  55  13.721   5.568 -13.384
  425    H    ASP  56           H        ASP  56  17.575   6.847 -10.570
  426    HA   ASP  56           HA       ASP  56  20.415   6.109 -10.588
  427    HB2  ASP  56           HB2      ASP  56  19.786   6.796  -8.450
  428    HB3  ASP  56           HB3      ASP  56  18.147   6.161  -8.603
  429    H    ILE  57           H        ILE  57  21.164   4.076 -10.847
  430    HA   ILE  57           HA       ILE  57  19.468   1.741 -10.479
  431    HB   ILE  57           HB       ILE  57  20.337   0.606 -12.523
  432   HG12  ILE  57          HG12      ILE  57  20.678   3.341 -13.796
  433   HG13  ILE  57          HG13      ILE  57  22.048   2.540 -13.034
  434   HG21  ILE  57          HG21      ILE  57  18.403   2.891 -13.010
  435   HG22  ILE  57          HG22      ILE  57  18.564   1.456 -14.006
  436   HG23  ILE  57          HG23      ILE  57  18.028   1.278 -12.335
  437   HD11  ILE  57          HD11      ILE  57  21.739   0.548 -14.466
  438   HD12  ILE  57          HD12      ILE  57  20.383   1.332 -15.276
  439   HD13  ILE  57          HD13      ILE  57  22.012   2.035 -15.384
  440    H    SER  58           H        SER  58  22.597   3.276 -10.953
  441    HA   SER  58           HA       SER  58  24.545   1.624 -10.252
  442    HB2  SER  58           HB2      SER  58  24.495   4.092  -8.625
  443    HB3  SER  58           HB3      SER  58  25.593   3.639  -9.937
  444    HG   SER  58           HG       SER  58  24.259   5.525 -10.339
  445    H    GLY  59           H        GLY  59  22.117   2.902  -7.947
  446    HA2  GLY  59           HA2      GLY  59  23.382   1.648  -5.642
  447    HA3  GLY  59           HA3      GLY  59  21.922   2.645  -5.682
  448    H    GLN  60           H        GLN  60  21.953  -0.122  -7.908
  449    HA   GLN  60           HA       GLN  60  19.645  -1.208  -6.751
  450    HB2  GLN  60           HB2      GLN  60  21.365  -1.899  -8.989
  451    HB3  GLN  60           HB3      GLN  60  21.124  -3.360  -8.027
  452    HG2  GLN  60           HG2      GLN  60  18.625  -2.807  -8.015
  453    HG3  GLN  60           HG3      GLN  60  18.999  -1.534  -9.178
  454   HE21  GLN  60          HE22      GLN  60  19.596  -2.156 -11.378
  455   HE22  GLN  60          HE21      GLN  60  19.184  -3.775 -11.936
  456    H    THR  61           H        THR  61  23.022  -1.907  -5.995
  457    HA   THR  61           HA       THR  61  22.590  -4.454  -4.893
  458    HB   THR  61           HB       THR  61  24.975  -3.640  -3.805
  459    HG1  THR  61           HG1      THR  61  25.000  -1.552  -4.501
  460   HG21  THR  61          HG21      THR  61  24.806  -5.485  -5.282
  461   HG22  THR  61          HG22      THR  61  24.420  -4.434  -6.666
  462   HG23  THR  61          HG23      THR  61  26.044  -4.390  -5.916
  463    H    SER  62           H        SER  62  22.037  -5.119  -2.822
  464    HA   SER  62           HA       SER  62  22.076  -3.229  -0.567
  465    HB2  SER  62           HB2      SER  62  19.633  -3.728  -0.111
  466    HB3  SER  62           HB3      SER  62  19.966  -2.643  -1.464
  467    HG   SER  62           HG       SER  62  18.424  -4.146  -2.106
  468    H    ASP  63           H        ASP  63  20.442  -6.320  -1.364
  469    HA   ASP  63           HA       ASP  63  22.171  -7.867   0.462
  470    HB2  ASP  63           HB2      ASP  63  19.257  -7.205   0.917
  471    HB3  ASP  63           HB3      ASP  63  19.820  -8.822   1.303
  472    HA   PRO  64           HA       PRO  64  21.172 -10.960  -2.653
  473    HB2  PRO  64           HB2      PRO  64  21.247 -13.310  -1.254
  474    HB3  PRO  64           HB3      PRO  64  22.720 -12.368  -1.637
  475    HG2  PRO  64           HG2      PRO  64  21.106 -12.305   0.950
  476    HG3  PRO  64           HG3      PRO  64  22.879 -12.518   0.754
  477    HD2  PRO  64           HD2      PRO  64  21.790 -10.095   1.295
  478    HD3  PRO  64           HD3      PRO  64  23.176 -10.241   0.178
  479    H    ILE  65           H        ILE  65  19.342 -12.260  -3.318
  480    HA   ILE  65           HA       ILE  65  16.831 -11.455  -2.380
  481    HB   ILE  65           HB       ILE  65  17.546 -12.516  -4.590
  482   HG12  ILE  65          HG12      ILE  65  14.954 -13.481  -3.363
  483   HG13  ILE  65          HG13      ILE  65  15.241 -11.852  -3.984
  484   HG21  ILE  65          HG21      ILE  65  16.951 -15.143  -3.154
  485   HG22  ILE  65          HG22      ILE  65  17.251 -14.939  -4.867
  486   HG23  ILE  65          HG23      ILE  65  18.553 -14.604  -3.722
  487   HD11  ILE  65          HD11      ILE  65  15.704 -12.845  -6.255
  488   HD12  ILE  65          HD12      ILE  65  15.189 -14.427  -5.610
  489   HD13  ILE  65          HD13      ILE  65  14.051 -13.083  -5.665
  490    H    GLU  66           H        GLU  66  18.921 -13.995  -1.137
  491    HA   GLU  66           HA       GLU  66  17.056 -15.705   0.029
  492    HB2  GLU  66           HB2      GLU  66  19.269 -16.380  -0.591
  493    HB3  GLU  66           HB3      GLU  66  20.007 -14.982   0.216
  494    HG2  GLU  66           HG2      GLU  66  19.592 -15.809   2.336
  495    HG3  GLU  66           HG3      GLU  66  18.573 -17.138   1.735
  496    H    ASN  67           H        ASN  67  18.447 -12.625   0.956
  497    HA   ASN  67           HA       ASN  67  18.110 -12.710   3.780
  498    HB2  ASN  67           HB2      ASN  67  19.440 -11.041   2.287
  499    HB3  ASN  67           HB3      ASN  67  17.893 -10.227   2.044
  500   HD21  ASN  67          HD22      ASN  67  20.308 -11.240   4.473
  501   HD22  ASN  67          HD21      ASN  67  19.837 -10.087   5.700
  502    H    PHE  68           H        PHE  68  15.804 -12.452   1.202
  503    HA   PHE  68           HA       PHE  68  13.690 -11.239   2.924
  504    HB2  PHE  68           HB2      PHE  68  13.885 -11.416  -0.114
  505    HB3  PHE  68           HB3      PHE  68  12.646 -10.573   0.808
  506    HD1  PHE  68           HD1      PHE  68  13.255  -8.615   2.231
  507    HD2  PHE  68           HD2      PHE  68  15.966 -10.408  -0.558
  508    HE1  PHE  68           HE1      PHE  68  14.722  -6.582   2.372
  509    HE2  PHE  68           HE2      PHE  68  17.504  -8.425  -0.363
  510    HZ   PHE  68           HZ       PHE  68  16.845  -6.499   1.085
  511    H    ASN  69           H        ASN  69  11.449 -11.941   1.729
  512    HA   ASN  69           HA       ASN  69  11.484 -14.721   1.022
  513    HB2  ASN  69           HB2      ASN  69  10.812 -14.529   3.515
  514    HB3  ASN  69           HB3      ASN  69   9.448 -13.532   2.952
  515   HD21  ASN  69          HD22      ASN  69   8.927 -15.771   4.515
  516   HD22  ASN  69          HD21      ASN  69   8.161 -16.989   3.524
  517    H    ALA  70           H        ALA  70   9.609 -15.153  -0.480
  518    HA   ALA  70           HA       ALA  70   9.033 -12.696  -1.854
  519    HB1  ALA  70           HB1      ALA  70   8.069 -14.120  -3.578
  520    HB2  ALA  70           HB2      ALA  70   9.598 -14.886  -3.080
  521    HB3  ALA  70           HB3      ALA  70   8.051 -15.514  -2.481
  522    H    ASP  71           H        ASP  71   7.614 -14.931   0.419
  523    HA   ASP  71           HA       ASP  71   4.934 -14.405  -0.104
  524    HB2  ASP  71           HB2      ASP  71   5.692 -16.266   1.323
  525    HB3  ASP  71           HB3      ASP  71   6.266 -15.115   2.534
  526    H    ASP  72           H        ASP  72   7.358 -12.397   1.437
  527    HA   ASP  72           HA       ASP  72   5.543 -10.692   2.881
  528    HB2  ASP  72           HB2      ASP  72   7.965 -11.031   3.473
  529    HB3  ASP  72           HB3      ASP  72   8.390 -10.187   1.978
  530    H    TYR  73           H        TYR  73   6.785 -10.949  -0.362
  531    HA   TYR  73           HA       TYR  73   6.302  -8.202  -1.084
  532    HB2  TYR  73           HB2      TYR  73   7.426 -10.587  -2.567
  533    HB3  TYR  73           HB3      TYR  73   6.961  -9.145  -3.430
  534    HD1  TYR  73           HD2      TYR  73   8.958  -9.991  -0.321
  535    HD2  TYR  73           HD1      TYR  73   8.652  -7.621  -3.918
  536    HE1  TYR  73           HE2      TYR  73  11.086  -8.901   0.231
  537    HE2  TYR  73           HE1      TYR  73  10.812  -6.544  -3.377
  538    HH   TYR  73           HH       TYR  73  12.736  -7.419  -0.449
  539    H    ASP  74           H        ASP  74   5.073  -7.730  -3.152
  540    HA   ASP  74           HA       ASP  74   2.525  -9.308  -3.215
  541    HB2  ASP  74           HB2      ASP  74   2.197  -6.995  -2.485
  542    HB3  ASP  74           HB3      ASP  74   3.019  -6.414  -3.936
  543    H    VAL  75           H        VAL  75   5.109  -7.696  -5.189
  544    HA   VAL  75           HA       VAL  75   4.221  -9.324  -7.484
  545    HB   VAL  75           HB       VAL  75   3.179  -7.363  -8.013
  546   HG11  VAL  75          HG11      VAL  75   3.596  -5.937  -6.140
  547   HG12  VAL  75          HG12      VAL  75   5.232  -5.619  -6.711
  548   HG13  VAL  75          HG13      VAL  75   3.847  -5.051  -7.639
  549   HG21  VAL  75          HG21      VAL  75   4.780  -7.846  -9.825
  550   HG22  VAL  75          HG22      VAL  75   4.451  -6.108  -9.688
  551   HG23  VAL  75          HG23      VAL  75   5.969  -6.776  -9.073
  552    H    VAL  76           H        VAL  76   5.756 -10.064  -8.823
  553    HA   VAL  76           HA       VAL  76   8.536  -9.149  -8.474
  554    HB   VAL  76           HB       VAL  76   7.603 -12.014  -8.372
  555   HG11  VAL  76          HG11      VAL  76   9.780 -11.825  -9.507
  556   HG12  VAL  76          HG12      VAL  76  10.431 -10.858  -8.162
  557   HG13  VAL  76          HG13      VAL  76   9.999 -12.555  -7.925
  558   HG21  VAL  76          HG21      VAL  76   7.186 -10.916  -6.166
  559   HG22  VAL  76          HG22      VAL  76   8.393 -12.168  -6.070
  560   HG23  VAL  76          HG23      VAL  76   8.895 -10.460  -6.070
  561    H    ILE  77           H        ILE  77   9.409  -8.912 -10.437
  562    HA   ILE  77           HA       ILE  77   8.040 -10.035 -12.831
  563    HB   ILE  77           HB       ILE  77  10.084  -7.843 -12.595
  564   HG12  ILE  77          HG12      ILE  77   8.227  -6.922 -11.426
  565   HG13  ILE  77          HG13      ILE  77   8.257  -6.191 -13.017
  566   HG21  ILE  77          HG21      ILE  77   8.224  -8.396 -14.939
  567   HG22  ILE  77          HG22      ILE  77   9.605  -7.280 -14.859
  568   HG23  ILE  77          HG23      ILE  77   9.882  -9.010 -14.820
  569   HD11  ILE  77          HD11      ILE  77   6.383  -8.492 -12.419
  570   HD12  ILE  77          HD12      ILE  77   5.983  -6.815 -12.073
  571   HD13  ILE  77          HD13      ILE  77   6.328  -7.279 -13.740
  572    H    SER  78           H        SER  78   9.111 -11.582 -13.882
  573    HA   SER  78           HA       SER  78  11.833 -12.277 -12.986
  574    HB2  SER  78           HB2      SER  78   9.589 -13.930 -14.226
  575    HB3  SER  78           HB3      SER  78  11.138 -14.564 -13.632
  576    HG   SER  78           HG       SER  78   9.401 -14.788 -12.084
  577    H    LEU  79           H        LEU  79  12.601 -10.674 -14.438
  578    HA   LEU  79           HA       LEU  79  11.703 -10.080 -17.017
  579    HB2  LEU  79           HB2      LEU  79  14.423  -9.822 -15.687
  580    HB3  LEU  79           HB3      LEU  79  14.085  -9.112 -17.260
  581    HG   LEU  79           HG       LEU  79  12.472  -8.343 -14.809
  582   HD11  LEU  79          HD11      LEU  79  14.973  -7.055 -15.968
  583   HD12  LEU  79          HD12      LEU  79  13.993  -6.405 -14.650
  584   HD13  LEU  79          HD13      LEU  79  14.889  -7.913 -14.408
  585   HD21  LEU  79          HD21      LEU  79  12.996  -6.945 -17.459
  586   HD22  LEU  79          HD22      LEU  79  11.495  -7.809 -17.050
  587   HD23  LEU  79          HD23      LEU  79  11.954  -6.356 -16.142
  588    H    CYS  80           H        CYS  80  13.509 -12.947 -16.221
  589    HA   CYS  80           HA       CYS  80  14.361 -13.188 -19.064
  590    HB2  CYS  80           HB2      CYS  80  15.621 -14.152 -16.469
  591    HB3  CYS  80           HB3      CYS  80  15.957 -14.981 -17.971
  592    H    GLY  81           H        GLY  81  11.945 -14.437 -16.985
  593    HA2  GLY  81           HA2      GLY  81  10.706 -16.197 -18.385
  594    HA3  GLY  81           HA3      GLY  81  12.147 -17.181 -18.160
  595    H    SER  82           H        SER  82  11.625 -18.749 -16.768
  596    HA   SER  82           HA       SER  82   9.998 -18.077 -14.347
  597    HB2  SER  82           HB2      SER  82   9.930 -20.646 -15.958
  598    HB3  SER  82           HB3      SER  82   8.840 -20.159 -14.649
  599    HG   SER  82           HG       SER  82   7.929 -19.809 -16.753
  600    H    GLY  83           H        GLY  83  12.794 -19.947 -15.594
  601    HA2  GLY  83           HA2      GLY  83  13.332 -21.259 -13.047
  602    HA3  GLY  83           HA3      GLY  83  14.413 -21.133 -14.441
  603    H    VAL  84           H        VAL  84  15.113 -18.761 -14.899
  604    HA   VAL  84           HA       VAL  84  16.291 -16.935 -14.309
  605    HB   VAL  84           HB       VAL  84  14.113 -16.525 -12.370
  606   HG11  VAL  84          HG11      VAL  84  15.796 -14.519 -13.922
  607   HG12  VAL  84          HG12      VAL  84  14.345 -14.101 -12.976
  608   HG13  VAL  84          HG13      VAL  84  15.772 -14.697 -12.156
  609   HG21  VAL  84          HG21      VAL  84  13.023 -15.345 -14.352
  610   HG22  VAL  84          HG22      VAL  84  14.258 -16.101 -15.382
  611   HG23  VAL  84          HG23      VAL  84  13.098 -17.092 -14.460
  612    H    ASN  85           H        ASN  85  17.012 -19.484 -12.862
  613    HA   ASN  85           HA       ASN  85  18.189 -20.287 -11.140
  614    HB2  ASN  85           HB2      ASN  85  19.930 -19.111 -12.503
  615    HB3  ASN  85           HB3      ASN  85  19.806 -17.732 -11.402
  616   HD21  ASN  85          HD22      ASN  85  22.111 -18.055 -10.842
  617   HD22  ASN  85          HD21      ASN  85  22.575 -19.358  -9.778
  618    H    LEU  86           H        LEU  86  15.806 -19.069 -10.230
  619    HA   LEU  86           HA       LEU  86  16.652 -18.376  -7.504
  620    HB2  LEU  86           HB2      LEU  86  15.134 -16.529  -7.281
  621    HB3  LEU  86           HB3      LEU  86  16.394 -16.266  -8.475
  622    HG   LEU  86           HG       LEU  86  14.987 -16.111 -10.244
  623   HD11  LEU  86          HD11      LEU  86  13.422 -17.982  -9.988
  624   HD12  LEU  86          HD12      LEU  86  12.679 -17.195  -8.584
  625   HD13  LEU  86          HD13      LEU  86  12.520 -16.487 -10.202
  626   HD21  LEU  86          HD21      LEU  86  13.508 -14.835  -7.925
  627   HD22  LEU  86          HD22      LEU  86  14.960 -14.195  -8.716
  628   HD23  LEU  86          HD23      LEU  86  13.449 -14.337  -9.627
  629    HA   PRO  87           HA       PRO  87  13.510 -21.126  -6.046
  630    HB2  PRO  87           HB2      PRO  87  12.611 -18.888  -4.263
  631    HB3  PRO  87           HB3      PRO  87  12.888 -20.611  -3.872
  632    HG2  PRO  87           HG2      PRO  87  14.758 -18.776  -3.228
  633    HG3  PRO  87           HG3      PRO  87  15.261 -20.321  -3.990
  634    HD2  PRO  87           HD2      PRO  87  14.893 -17.611  -5.296
  635    HD3  PRO  87           HD3      PRO  87  16.220 -18.797  -5.487
  636    HA   PRO  88           HA       PRO  88  10.202 -19.827  -8.768
  637    HB2  PRO  88           HB2      PRO  88   8.364 -21.851  -8.379
  638    HB3  PRO  88           HB3      PRO  88   9.853 -22.020  -9.360
  639    HG2  PRO  88           HG2      PRO  88   9.434 -22.815  -6.459
  640    HG3  PRO  88           HG3      PRO  88  10.167 -23.786  -7.776
  641    HD2  PRO  88           HD2      PRO  88  11.714 -22.435  -6.023
  642    HD3  PRO  88           HD3      PRO  88  12.151 -22.476  -7.761
  643    H    GLU  89           H        GLU  89   9.792 -20.350  -5.345
  644    HA   GLU  89           HA       GLU  89   7.296 -19.338  -4.794
  645    HB2  GLU  89           HB2      GLU  89   8.092 -19.405  -2.664
  646    HB3  GLU  89           HB3      GLU  89   9.479 -20.221  -3.427
  647    HG2  GLU  89           HG2      GLU  89  10.634 -17.990  -3.511
  648    HG3  GLU  89           HG3      GLU  89   9.334 -17.334  -2.511
  649    H    TRP  90           H        TRP  90  10.059 -17.570  -6.049
  650    HA   TRP  90           HA       TRP  90   9.037 -14.917  -5.446
  651    HB2  TRP  90           HB2      TRP  90  11.230 -16.080  -7.162
  652    HB3  TRP  90           HB3      TRP  90  10.852 -14.371  -7.205
  653    HD1  TRP  90           HD1      TRP  90  12.661 -16.868  -5.086
  654    HE1  TRP  90           HE1      TRP  90  13.420 -15.874  -2.853
  655    HE3  TRP  90           HE3      TRP  90  10.433 -12.321  -5.475
  656    HZ2  TRP  90           HZ2      TRP  90  12.946 -13.421  -1.337
  657    HZ3  TRP  90           HZ3      TRP  90  10.472 -10.708  -3.591
  658    HH2  TRP  90           HH2      TRP  90  11.707 -11.238  -1.536
  659    H    VAL  91           H        VAL  91   8.855 -17.153  -8.178
  660    HA   VAL  91           HA       VAL  91   7.709 -15.295 -10.063
  661    HB   VAL  91           HB       VAL  91   7.494 -18.244 -10.033
  662   HG11  VAL  91          HG11      VAL  91   7.655 -16.330 -12.370
  663   HG12  VAL  91          HG12      VAL  91   7.428 -18.086 -12.468
  664   HG13  VAL  91          HG13      VAL  91   6.162 -17.081 -11.761
  665   HG21  VAL  91          HG21      VAL  91   9.578 -18.369 -11.384
  666   HG22  VAL  91          HG22      VAL  91   9.865 -16.644 -11.083
  667   HG23  VAL  91          HG23      VAL  91   9.904 -17.811  -9.754
  668    H    THR  92           H        THR  92   6.426 -17.625  -7.629
  669    HA   THR  92           HA       THR  92   3.801 -17.306  -8.681
  670    HB   THR  92           HB       THR  92   3.261 -19.002  -6.910
  671    HG1  THR  92           HG1      THR  92   4.777 -19.595  -5.459
  672   HG21  THR  92          HG21      THR  92   4.259 -19.651  -9.109
  673   HG22  THR  92          HG22      THR  92   5.876 -19.581  -8.369
  674   HG23  THR  92          HG23      THR  92   4.691 -20.769  -7.788
  675    H    GLN  93           H        GLN  93   4.841 -14.776  -7.552
  676    HA   GLN  93           HA       GLN  93   3.044 -14.378  -5.309
  677    HB2  GLN  93           HB2      GLN  93   4.807 -12.339  -6.753
  678    HB3  GLN  93           HB3      GLN  93   3.787 -11.999  -5.368
  679    HG2  GLN  93           HG2      GLN  93   6.151 -13.900  -5.400
  680    HG3  GLN  93           HG3      GLN  93   6.001 -12.388  -4.509
  681   HE21  GLN  93          HE22      GLN  93   6.081 -15.642  -3.948
  682   HE22  GLN  93          HE21      GLN  93   4.951 -15.747  -2.620
  683    H    GLU  94           H        GLU  94   1.714 -12.022  -5.736
  684    HA   GLU  94           HA       GLU  94  -0.562 -13.153  -6.943
  685    HB2  GLU  94           HB2      GLU  94   0.026 -10.259  -6.192
  686    HB3  GLU  94           HB3      GLU  94  -1.572 -10.878  -6.584
  687    HG2  GLU  94           HG2      GLU  94   0.128 -11.801  -4.228
  688    HG3  GLU  94           HG3      GLU  94  -1.232 -10.691  -4.156
  689    H    ILE  95           H        ILE  95   2.000 -11.425  -8.493
  690    HA   ILE  95           HA       ILE  95   0.643 -11.810 -11.044
  691    HB   ILE  95           HB       ILE  95   0.119  -9.541 -10.821
  692   HG12  ILE  95          HG12      ILE  95   2.798  -9.490 -12.273
  693   HG13  ILE  95          HG13      ILE  95   1.325 -10.196 -12.956
  694   HG21  ILE  95          HG21      ILE  95   2.896  -9.072  -9.702
  695   HG22  ILE  95          HG22      ILE  95   1.764  -7.770 -10.102
  696   HG23  ILE  95          HG23      ILE  95   1.349  -8.905  -8.839
  697   HD11  ILE  95          HD11      ILE  95   1.660  -7.264 -12.202
  698   HD12  ILE  95          HD12      ILE  95   1.721  -7.933 -13.826
  699   HD13  ILE  95          HD13      ILE  95   0.207  -8.005 -12.892
  700    H    PHE  96           H        PHE  96   2.018 -12.708 -12.456
  701    HA   PHE  96           HA       PHE  96   4.939 -12.774 -11.883
  702    HB2  PHE  96           HB2      PHE  96   4.557 -14.992 -11.889
  703    HB3  PHE  96           HB3      PHE  96   3.066 -14.885 -12.818
  704    HD1  PHE  96           HD1      PHE  96   6.779 -14.272 -13.313
  705    HD2  PHE  96           HD2      PHE  96   3.107 -15.849 -14.955
  706    HE1  PHE  96           HE1      PHE  96   8.009 -15.093 -15.294
  707    HE2  PHE  96           HE2      PHE  96   4.350 -16.650 -16.945
  708    HZ   PHE  96           HZ       PHE  96   6.805 -16.279 -17.115
  709    H    GLU  97           H        GLU  97   6.150 -11.837 -13.603
  710    HA   GLU  97           HA       GLU  97   4.959 -11.445 -16.244
  711    HB2  GLU  97           HB2      GLU  97   6.139  -9.230 -14.579
  712    HB3  GLU  97           HB3      GLU  97   5.996  -9.104 -16.316
  713    HG2  GLU  97           HG2      GLU  97   3.588  -9.469 -14.492
  714    HG3  GLU  97           HG3      GLU  97   4.245  -7.911 -14.940
  715    H    ASP  98           H        ASP  98   6.764 -10.666 -17.711
  716    HA   ASP  98           HA       ASP  98   9.417 -11.509 -17.360
  717    HB2  ASP  98           HB2      ASP  98   8.807 -13.815 -17.113
  718    HB3  ASP  98           HB3      ASP  98   7.449 -13.660 -18.224
  719    H    TRP  99           H        TRP  99  10.428 -10.698 -19.224
  720    HA   TRP  99           HA       TRP  99   8.673 -10.090 -21.555
  721    HB2  TRP  99           HB2      TRP  99  10.013  -7.911 -19.926
  722    HB3  TRP  99           HB3      TRP  99   9.237  -7.668 -21.489
  723    HD1  TRP  99           HD1      TRP  99   6.454  -8.942 -21.184
  724    HE1  TRP  99           HE1      TRP  99   4.744  -8.188 -19.429
  725    HE3  TRP  99           HE3      TRP  99   9.601  -6.627 -17.899
  726    HZ2  TRP  99           HZ2      TRP  99   4.687  -6.468 -17.117
  727    HZ3  TRP  99           HZ3      TRP  99   8.690  -5.549 -15.882
  728    HH2  TRP  99           HH2      TRP  99   6.254  -5.415 -15.488
  729    H    GLN 100           H        GLN 100   9.690  -9.829 -23.463
  730    HA   GLN 100           HA       GLN 100  12.556 -10.364 -23.617
  731    HB2  GLN 100           HB2      GLN 100  12.172 -10.524 -26.037
  732    HB3  GLN 100           HB3      GLN 100  11.178 -11.614 -25.080
  733    HG2  GLN 100           HG2      GLN 100   9.196 -10.210 -25.420
  734    HG3  GLN 100           HG3      GLN 100  10.158  -8.994 -26.259
  735   HE21  GLN 100          HE22      GLN 100   9.080 -12.446 -26.471
  736   HE22  GLN 100          HE21      GLN 100   9.185 -12.527 -28.214
  737    H    LEU 101           H        LEU 101  12.491  -8.160 -22.272
  738    HA   LEU 101           HA       LEU 101  12.622  -5.684 -23.829
  739    HB2  LEU 101           HB2      LEU 101  13.612  -6.552 -21.058
  740    HB3  LEU 101           HB3      LEU 101  13.961  -4.963 -21.697
  741    HG   LEU 101           HG       LEU 101  11.126  -6.003 -21.416
  742   HD11  LEU 101          HD11      LEU 101  11.811  -6.116 -19.245
  743   HD12  LEU 101          HD12      LEU 101  12.875  -4.717 -19.344
  744   HD13  LEU 101          HD13      LEU 101  11.093  -4.508 -19.339
  745   HD21  LEU 101          HD21      LEU 101  10.721  -3.455 -21.417
  746   HD22  LEU 101          HD22      LEU 101  12.331  -3.374 -22.186
  747   HD23  LEU 101          HD23      LEU 101  11.029  -4.304 -22.937
  748    H    GLU 102           H        GLU 102  14.524  -4.829 -24.906
  749    HA   GLU 102           HA       GLU 102  16.685  -6.664 -25.317
  750    HB2  GLU 102           HB2      GLU 102  16.181  -3.782 -26.030
  751    HB3  GLU 102           HB3      GLU 102  17.836  -4.389 -26.095
  752    HG2  GLU 102           HG2      GLU 102  15.456  -5.567 -27.563
  753    HG3  GLU 102           HG3      GLU 102  16.664  -4.479 -28.261
  754    H    ASP 103           H        ASP 103  18.732  -6.704 -24.355
  755    HA   ASP 103           HA       ASP 103  19.112  -5.206 -21.862
  756    HB2  ASP 103           HB2      ASP 103  19.549  -7.455 -21.362
  757    HB3  ASP 103           HB3      ASP 103  20.187  -7.795 -22.973
  758    HA   PRO 104           HA       PRO 104  21.592  -2.934 -24.904
  759    HB2  PRO 104           HB2      PRO 104  21.952  -0.647 -23.645
  760    HB3  PRO 104           HB3      PRO 104  20.318  -1.168 -24.145
  761    HG2  PRO 104           HG2      PRO 104  21.587  -1.439 -21.408
  762    HG3  PRO 104           HG3      PRO 104  19.964  -0.781 -21.793
  763    HD2  PRO 104           HD2      PRO 104  20.392  -3.403 -21.041
  764    HD3  PRO 104           HD3      PRO 104  19.097  -2.936 -22.175
  765    H    ASP 105           H        ASP 105  22.830  -4.394 -22.021
  766    HA   ASP 105           HA       ASP 105  25.297  -2.986 -21.775
  767    HB2  ASP 105           HB2      ASP 105  24.659  -4.474 -20.007
  768    HB3  ASP 105           HB3      ASP 105  24.606  -5.858 -21.116
  769    H    GLY 106           H        GLY 106  27.078  -2.970 -23.035
  770    HA2  GLY 106           HA2      GLY 106  28.630  -3.555 -24.607
  771    HA3  GLY 106           HA3      GLY 106  27.893  -5.158 -24.717
  772    H    GLN 107           H        GLN 107  25.405  -2.936 -25.281
  773    HA   GLN 107           HA       GLN 107  25.767  -3.092 -28.235
  774    HB2  GLN 107           HB2      GLN 107  23.216  -2.371 -26.771
  775    HB3  GLN 107           HB3      GLN 107  23.450  -2.749 -28.476
  776    HG2  GLN 107           HG2      GLN 107  24.308  -5.097 -27.419
  777    HG3  GLN 107           HG3      GLN 107  23.241  -4.552 -26.114
  778   HE21  GLN 107          HE22      GLN 107  21.309  -5.613 -26.258
  779   HE22  GLN 107          HE21      GLN 107  20.399  -5.866 -27.738
  780    H    SER 108           H        SER 108  24.913  -1.095 -29.412
  781    HA   SER 108           HA       SER 108  26.363   1.196 -28.578
  782    HB2  SER 108           HB2      SER 108  24.268   0.914 -30.768
  783    HB3  SER 108           HB3      SER 108  25.541   2.147 -30.665
  784    HG   SER 108           HG       SER 108  26.131   0.412 -32.068
  785    H    LEU 109           H        LEU 109  25.387   3.451 -28.471
  786    HA   LEU 109           HA       LEU 109  23.644   3.615 -26.238
  787    HB2  LEU 109           HB2      LEU 109  24.289   5.813 -28.239
  788    HB3  LEU 109           HB3      LEU 109  23.593   6.021 -26.634
  789    HG   LEU 109           HG       LEU 109  26.412   5.118 -27.315
  790   HD11  LEU 109          HD11      LEU 109  25.340   7.496 -25.732
  791   HD12  LEU 109          HD12      LEU 109  27.045   7.151 -26.086
  792   HD13  LEU 109          HD13      LEU 109  25.938   7.548 -27.409
  793   HD21  LEU 109          HD21      LEU 109  26.832   5.061 -24.851
  794   HD22  LEU 109          HD22      LEU 109  25.079   5.169 -24.576
  795   HD23  LEU 109          HD23      LEU 109  25.778   3.759 -25.404
  796    H    GLU 110           H        GLU 110  22.849   3.630 -29.681
  797    HA   GLU 110           HA       GLU 110  20.192   4.538 -29.521
  798    HB2  GLU 110           HB2      GLU 110  19.830   2.913 -31.480
  799    HB3  GLU 110           HB3      GLU 110  21.004   4.219 -31.688
  800    HG2  GLU 110           HG2      GLU 110  22.848   2.632 -31.322
  801    HG3  GLU 110           HG3      GLU 110  21.696   1.329 -31.035
  802    H    VAL 111           H        VAL 111  21.554   1.382 -28.604
  803    HA   VAL 111           HA       VAL 111  18.946   0.148 -28.292
  804    HB   VAL 111           HB       VAL 111  21.634  -0.823 -27.335
  805   HG11  VAL 111          HG11      VAL 111  19.165  -2.470 -28.008
  806   HG12  VAL 111          HG12      VAL 111  20.700  -3.004 -27.274
  807   HG13  VAL 111          HG13      VAL 111  19.607  -1.987 -26.357
  808   HG21  VAL 111          HG21      VAL 111  21.466  -2.228 -29.516
  809   HG22  VAL 111          HG22      VAL 111  20.245  -1.044 -30.040
  810   HG23  VAL 111          HG23      VAL 111  21.901  -0.523 -29.693
  811    H    PHE 112           H        PHE 112  21.457   1.488 -26.006
  812    HA   PHE 112           HA       PHE 112  19.936   1.114 -23.639
  813    HB2  PHE 112           HB2      PHE 112  21.802   3.377 -24.477
  814    HB3  PHE 112           HB3      PHE 112  21.033   3.290 -22.901
  815    HD1  PHE 112           HD1      PHE 112  21.629   1.609 -21.231
  816    HD2  PHE 112           HD2      PHE 112  23.721   1.844 -24.996
  817    HE1  PHE 112           HE1      PHE 112  23.428   0.146 -20.344
  818    HE2  PHE 112           HE2      PHE 112  25.541   0.462 -24.071
  819    HZ   PHE 112           HZ       PHE 112  25.417  -0.389 -21.737
  820    H    ARG 113           H        ARG 113  19.788   3.857 -25.978
  821    HA   ARG 113           HA       ARG 113  17.753   5.235 -24.474
  822    HB2  ARG 113           HB2      ARG 113  18.791   5.492 -27.327
  823    HB3  ARG 113           HB3      ARG 113  17.605   6.605 -26.623
  824    HG2  ARG 113           HG2      ARG 113  19.130   7.331 -24.908
  825    HG3  ARG 113           HG3      ARG 113  20.298   6.060 -25.279
  826    HD2  ARG 113           HD2      ARG 113  20.770   7.032 -27.442
  827    HD3  ARG 113           HD3      ARG 113  19.558   8.307 -27.181
  828    HE   ARG 113           HE       ARG 113  21.125   8.671 -25.006
  829   HH11  ARG 113          HH21      ARG 113  22.001   8.327 -28.459
  830   HH12  ARG 113          HH22      ARG 113  23.431   9.282 -28.325
  831   HH21  ARG 113          HH11      ARG 113  22.909  10.017 -24.879
  832   HH22  ARG 113          HH12      ARG 113  23.998  10.250 -26.225
  833    H    THR 114           H        THR 114  17.521   2.883 -27.221
  834    HA   THR 114           HA       THR 114  14.708   2.953 -27.511
  835    HB   THR 114           HB       THR 114  16.965   0.980 -27.932
  836    HG1  THR 114           HG1      THR 114  16.852   2.451 -29.502
  837   HG21  THR 114          HG21      THR 114  14.051   0.332 -28.353
  838   HG22  THR 114          HG22      THR 114  15.425  -0.531 -29.122
  839   HG23  THR 114          HG23      THR 114  15.263  -0.518 -27.362
  840    H    VAL 115           H        VAL 115  16.857   1.039 -25.310
  841    HA   VAL 115           HA       VAL 115  14.738  -0.455 -24.202
  842    HB   VAL 115           HB       VAL 115  17.594   0.107 -23.350
  843   HG11  VAL 115          HG11      VAL 115  16.334  -0.414 -21.261
  844   HG12  VAL 115          HG12      VAL 115  15.710  -1.894 -22.030
  845   HG13  VAL 115          HG13      VAL 115  17.434  -1.704 -21.702
  846   HG21  VAL 115          HG21      VAL 115  17.056  -1.314 -25.420
  847   HG22  VAL 115          HG22      VAL 115  17.938  -2.179 -24.153
  848   HG23  VAL 115          HG23      VAL 115  16.179  -2.401 -24.341
  849    H    ARG 116           H        ARG 116  16.045   2.736 -23.265
  850    HA   ARG 116           HA       ARG 116  14.566   2.924 -20.864
  851    HB2  ARG 116           HB2      ARG 116  15.220   5.166 -22.853
  852    HB3  ARG 116           HB3      ARG 116  14.524   5.392 -21.242
  853    HG2  ARG 116           HG2      ARG 116  16.576   4.049 -20.378
  854    HG3  ARG 116           HG3      ARG 116  17.316   4.397 -21.934
  855    HD2  ARG 116           HD2      ARG 116  16.143   6.601 -20.200
  856    HD3  ARG 116           HD3      ARG 116  17.730   5.937 -19.887
  857    HE   ARG 116           HE       ARG 116  18.650   6.963 -21.676
  858   HH11  ARG 116          HH11      ARG 116  15.128   7.591 -21.900
  859   HH12  ARG 116          HH12      ARG 116  15.332   8.947 -22.941
  860   HH21  ARG 116          HH21      ARG 116  18.881   8.809 -23.046
  861   HH22  ARG 116          HH22      ARG 116  17.460   9.600 -23.627
  862    H    GLY 117           H        GLY 117  13.478   3.628 -24.221
  863    HA2  GLY 117           HA2      GLY 117  10.781   4.320 -23.584
  864    HA3  GLY 117           HA3      GLY 117  11.375   3.689 -25.134
  865    H    GLN 118           H        GLN 118  12.210   1.154 -24.626
  866    HA   GLN 118           HA       GLN 118   9.841  -0.339 -24.601
  867    HB2  GLN 118           HB2      GLN 118  12.613  -1.350 -23.814
  868    HB3  GLN 118           HB3      GLN 118  11.207  -2.333 -24.233
  869    HG2  GLN 118           HG2      GLN 118  11.198  -1.224 -26.503
  870    HG3  GLN 118           HG3      GLN 118  12.787  -0.556 -26.103
  871   HE21  GLN 118          HE22      GLN 118  12.049  -2.511 -28.221
  872   HE22  GLN 118          HE21      GLN 118  13.037  -3.925 -27.916
  873    H    VAL 119           H        VAL 119  12.174   0.109 -21.972
  874    HA   VAL 119           HA       VAL 119  10.689  -1.575 -20.138
  875    HB   VAL 119           HB       VAL 119  13.052   0.305 -19.667
  876   HG11  VAL 119          HG11      VAL 119  11.847  -1.926 -17.962
  877   HG12  VAL 119          HG12      VAL 119  13.436  -1.169 -17.686
  878   HG13  VAL 119          HG13      VAL 119  11.963  -0.193 -17.540
  879   HG21  VAL 119          HG21      VAL 119  14.383  -1.792 -19.764
  880   HG22  VAL 119          HG22      VAL 119  12.905  -2.718 -20.094
  881   HG23  VAL 119          HG23      VAL 119  13.517  -1.574 -21.284
  882    H    LYS 120           H        LYS 120  10.879   2.030 -20.531
  883    HA   LYS 120           HA       LYS 120   9.321   2.654 -18.257
  884    HB2  LYS 120           HB2      LYS 120  10.351   4.326 -19.874
  885    HB3  LYS 120           HB3      LYS 120   9.127   3.854 -21.079
  886    HG2  LYS 120           HG2      LYS 120   7.333   4.649 -19.506
  887    HG3  LYS 120           HG3      LYS 120   8.602   5.153 -18.368
  888    HD2  LYS 120           HD2      LYS 120   9.505   6.722 -20.056
  889    HD3  LYS 120           HD3      LYS 120   8.277   6.185 -21.221
  890    HE2  LYS 120           HE2      LYS 120   6.478   6.965 -19.663
  891    HE3  LYS 120           HE3      LYS 120   7.712   7.539 -18.536
  892    HZ1  LYS 120           HZ1      LYS 120   8.461   9.104 -20.250
  893    HZ2  LYS 120           HZ2      LYS 120   7.325   8.560 -21.303
  894    HZ3  LYS 120           HZ3      LYS 120   6.874   9.331 -19.938
  895    H    GLU 121           H        GLU 121   8.310   1.620 -21.556
  896    HA   GLU 121           HA       GLU 121   5.548   1.873 -21.055
  897    HB2  GLU 121           HB2      GLU 121   6.594   1.923 -23.236
  898    HB3  GLU 121           HB3      GLU 121   7.093   0.232 -23.094
  899    HG2  GLU 121           HG2      GLU 121   4.761  -0.512 -23.024
  900    HG3  GLU 121           HG3      GLU 121   4.190   1.162 -23.056
  901    H    ARG 122           H        ARG 122   7.685  -1.048 -20.809
  902    HA   ARG 122           HA       ARG 122   5.557  -2.806 -20.007
  903    HB2  ARG 122           HB2      ARG 122   8.542  -2.930 -19.342
  904    HB3  ARG 122           HB3      ARG 122   7.399  -4.222 -18.999
  905    HG2  ARG 122           HG2      ARG 122   8.121  -3.211 -21.780
  906    HG3  ARG 122           HG3      ARG 122   8.716  -4.684 -21.003
  907    HD2  ARG 122           HD2      ARG 122   6.427  -5.578 -20.911
  908    HD3  ARG 122           HD3      ARG 122   5.827  -4.124 -21.755
  909    HE   ARG 122           HE       ARG 122   7.852  -5.049 -23.377
  910   HH11  ARG 122          HH21      ARG 122   4.791  -6.435 -22.184
  911   HH12  ARG 122          HH22      ARG 122   4.527  -7.410 -23.582
  912   HH21  ARG 122          HH11      ARG 122   7.487  -6.360 -25.248
  913   HH22  ARG 122          HH12      ARG 122   6.095  -7.372 -25.349
  914    H    VAL 123           H        VAL 123   7.737  -0.790 -18.036
  915    HA   VAL 123           HA       VAL 123   6.715  -1.753 -15.517
  916    HB   VAL 123           HB       VAL 123   8.272   0.700 -16.239
  917   HG11  VAL 123          HG11      VAL 123   8.939   0.738 -13.865
  918   HG12  VAL 123          HG12      VAL 123   7.194   0.972 -14.016
  919   HG13  VAL 123          HG13      VAL 123   7.827  -0.603 -13.511
  920   HG21  VAL 123          HG21      VAL 123   9.254  -1.911 -15.008
  921   HG22  VAL 123          HG22      VAL 123   9.439  -1.508 -16.719
  922   HG23  VAL 123          HG23      VAL 123  10.233  -0.506 -15.506
  923    H    GLU 124           H        GLU 124   5.838   1.075 -17.665
  924    HA   GLU 124           HA       GLU 124   3.826   2.154 -16.012
  925    HB2  GLU 124           HB2      GLU 124   4.360   2.136 -18.989
  926    HB3  GLU 124           HB3      GLU 124   2.780   2.668 -18.432
  927    HG2  GLU 124           HG2      GLU 124   5.372   3.913 -17.469
  928    HG3  GLU 124           HG3      GLU 124   4.452   4.474 -18.847
  929    H    ASN 125           H        ASN 125   3.634  -0.424 -18.461
  930    HA   ASN 125           HA       ASN 125   0.835  -0.789 -18.250
  931    HB2  ASN 125           HB2      ASN 125   2.204  -1.623 -20.144
  932    HB3  ASN 125           HB3      ASN 125   2.971  -2.805 -19.078
  933   HD21  ASN 125          HD22      ASN 125  -0.267  -1.813 -20.391
  934   HD22  ASN 125          HD21      ASN 125  -0.946  -3.417 -20.305
  935    H    LEU 126           H        LEU 126   3.509  -2.424 -16.502
  936    HA   LEU 126           HA       LEU 126   2.027  -4.202 -14.908
  937    HB2  LEU 126           HB2      LEU 126   4.408  -4.325 -15.069
  938    HB3  LEU 126           HB3      LEU 126   4.620  -2.650 -14.583
  939    HG   LEU 126           HG       LEU 126   3.813  -3.204 -12.292
  940   HD11  LEU 126          HD11      LEU 126   3.957  -6.073 -13.352
  941   HD12  LEU 126          HD12      LEU 126   3.695  -5.603 -11.658
  942   HD13  LEU 126          HD13      LEU 126   2.475  -5.216 -12.863
  943   HD21  LEU 126          HD21      LEU 126   5.877  -4.318 -11.588
  944   HD22  LEU 126          HD22      LEU 126   6.230  -4.729 -13.288
  945   HD23  LEU 126          HD23      LEU 126   6.161  -3.032 -12.773
  946    H    ILE 127           H        ILE 127   2.967  -0.749 -14.257
  947    HA   ILE 127           HA       ILE 127   1.752  -0.652 -11.640
  948    HB   ILE 127           HB       ILE 127   2.679   1.366 -13.743
  949   HG12  ILE 127          HG12      ILE 127   3.746   0.821 -10.956
  950   HG13  ILE 127          HG13      ILE 127   4.286  -0.139 -12.336
  951   HG21  ILE 127          HG21      ILE 127   2.444   3.160 -12.059
  952   HG22  ILE 127          HG22      ILE 127   0.889   2.495 -12.529
  953   HG23  ILE 127          HG23      ILE 127   1.606   2.018 -10.972
  954   HD11  ILE 127          HD11      ILE 127   5.891   1.595 -11.902
  955   HD12  ILE 127          HD12      ILE 127   5.064   1.958 -13.442
  956   HD13  ILE 127          HD13      ILE 127   4.639   2.848 -11.966
  957    H    ALA 128           H        ALA 128   0.633   0.339 -14.930
  958    HA   ALA 128           HA       ALA 128  -1.848   1.348 -14.170
  959    HB1  ALA 128           HB1      ALA 128  -2.484   0.993 -16.527
  960    HB2  ALA 128           HB2      ALA 128  -0.821   1.616 -16.409
  961    HB3  ALA 128           HB3      ALA 128  -1.108  -0.107 -16.748
  962    H    LYS 129           H        LYS 129  -0.937  -2.113 -14.600
  963    HA   LYS 129           HA       LYS 129  -3.726  -2.862 -14.290
  964    HB2  LYS 129           HB2      LYS 129  -3.128  -5.131 -14.605
  965    HB3  LYS 129           HB3      LYS 129  -2.435  -4.117 -15.864
  966    HG2  LYS 129           HG2      LYS 129  -0.246  -4.200 -14.639
  967    HG3  LYS 129           HG3      LYS 129  -0.970  -5.307 -13.468
  968    HD2  LYS 129           HD2      LYS 129   0.355  -6.532 -15.042
  969    HD3  LYS 129           HD3      LYS 129  -1.356  -6.942 -15.327
  970    HE2  LYS 129           HE2      LYS 129  -1.381  -5.416 -17.282
  971    HE3  LYS 129           HE3      LYS 129   0.252  -4.863 -16.887
  972    HZ1  LYS 129           HZ1      LYS 129   1.018  -7.190 -17.293
  973    HZ2  LYS 129           HZ2      LYS 129  -0.490  -7.569 -17.840
  974    HZ3  LYS 129           HZ3      LYS 129   0.416  -6.432 -18.617
  975    H    ILE 130           H        ILE 130  -0.815  -2.922 -12.119
  976    HA   ILE 130           HA       ILE 130  -2.404  -4.283 -10.180
  977    HB   ILE 130           HB       ILE 130  -0.551  -4.251  -8.756
  978   HG12  ILE 130          HG12      ILE 130   0.729  -2.312 -10.685
  979   HG13  ILE 130          HG13      ILE 130   0.349  -2.052  -8.994
  980   HG21  ILE 130          HG21      ILE 130   0.435  -4.869 -11.567
  981   HG22  ILE 130          HG22      ILE 130   0.884  -5.654 -10.039
  982   HG23  ILE 130          HG23      ILE 130  -0.742  -5.871 -10.681
  983   HD11  ILE 130          HD11      ILE 130   2.011  -3.761  -8.336
  984   HD12  ILE 130          HD12      ILE 130   2.438  -3.967 -10.072
  985   HD13  ILE 130          HD13      ILE 130   2.718  -2.424  -9.271
  986    H    SER 131           H        SER 131  -1.560  -0.872 -10.625
  987    HA   SER 131           HA       SER 131  -2.471  -0.207  -7.971
  988    HB2  SER 131           HB2      SER 131  -1.071   1.387 -10.117
  989    HB3  SER 131           HB3      SER 131  -1.490   1.988  -8.494
  990    HG   SER 131           HG       SER 131   0.694   1.085  -8.649
  Start of MODEL   14
    1    H    MET   1           H        MET   1   1.783   0.593   1.264
    2    HA   MET   1           HA       MET   1   2.146   0.419  -1.127
    3    HB2  MET   1           HB2      MET   1   4.393  -0.143   0.824
    4    HB3  MET   1           HB3      MET   1   4.729  -0.351  -0.890
    5    HG2  MET   1           HG2      MET   1   3.677   2.245   0.280
    6    HG3  MET   1           HG3      MET   1   5.371   1.861  -0.100
    7    HE1  MET   1           HE1      MET   1   4.795   4.412  -1.474
    8    HE2  MET   1           HE2      MET   1   6.181   3.383  -1.916
    9    HE3  MET   1           HE3      MET   1   5.128   4.030  -3.189
   10    H    LYS   2           H        LYS   2   2.488  -0.856  -2.990
   11    HA   LYS   2           HA       LYS   2   2.429  -3.828  -2.668
   12    HB2  LYS   2           HB2      LYS   2   2.673  -2.345  -5.303
   13    HB3  LYS   2           HB3      LYS   2   2.074  -3.953  -5.005
   14    HG2  LYS   2           HG2      LYS   2   0.047  -3.028  -3.887
   15    HG3  LYS   2           HG3      LYS   2   0.656  -1.387  -4.172
   16    HD2  LYS   2           HD2      LYS   2   0.763  -2.089  -6.682
   17    HD3  LYS   2           HD3      LYS   2  -0.333  -3.388  -6.220
   18    HE2  LYS   2           HE2      LYS   2  -0.824  -0.418  -5.618
   19    HE3  LYS   2           HE3      LYS   2  -1.326  -1.172  -7.122
   20    HZ1  LYS   2           HZ1      LYS   2  -2.756  -2.670  -5.869
   21    HZ2  LYS   2           HZ2      LYS   2  -2.282  -2.021  -4.430
   22    HZ3  LYS   2           HZ3      LYS   2  -3.127  -1.125  -5.500
   23    H    LYS   3           H        LYS   3   4.453  -4.741  -2.188
   24    HA   LYS   3           HA       LYS   3   6.826  -3.155  -2.926
   25    HB2  LYS   3           HB2      LYS   3   6.788  -5.859  -1.590
   26    HB3  LYS   3           HB3      LYS   3   8.165  -4.760  -1.771
   27    HG2  LYS   3           HG2      LYS   3   6.949  -3.047  -0.415
   28    HG3  LYS   3           HG3      LYS   3   5.635  -4.211  -0.155
   29    HD2  LYS   3           HD2      LYS   3   7.241  -5.770   0.925
   30    HD3  LYS   3           HD3      LYS   3   8.538  -4.563   0.707
   31    HE2  LYS   3           HE2      LYS   3   7.177  -2.900   1.968
   32    HE3  LYS   3           HE3      LYS   3   5.904  -4.111   2.181
   33    HZ1  LYS   3           HZ1      LYS   3   7.582  -5.502   3.379
   34    HZ2  LYS   3           HZ2      LYS   3   8.644  -4.255   3.328
   35    HZ3  LYS   3           HZ3      LYS   3   7.245  -4.094   4.162
   36    H    VAL   4           H        VAL   4   8.192  -3.575  -4.524
   37    HA   VAL   4           HA       VAL   4   7.272  -5.538  -6.564
   38    HB   VAL   4           HB       VAL   4   8.692  -3.000  -7.240
   39   HG11  VAL   4          HG11      VAL   4   7.409  -3.131  -9.313
   40   HG12  VAL   4          HG12      VAL   4   8.218  -4.678  -9.032
   41   HG13  VAL   4          HG13      VAL   4   6.478  -4.490  -8.698
   42   HG21  VAL   4          HG21      VAL   4   6.898  -2.113  -5.835
   43   HG22  VAL   4          HG22      VAL   4   6.654  -1.742  -7.533
   44   HG23  VAL   4          HG23      VAL   4   5.698  -3.034  -6.764
   45    H    MET   5           H        MET   5   8.868  -6.595  -7.684
   46    HA   MET   5           HA       MET   5  11.749  -5.965  -7.277
   47    HB2  MET   5           HB2      MET   5  10.562  -8.777  -7.342
   48    HB3  MET   5           HB3      MET   5  12.274  -8.377  -7.433
   49    HG2  MET   5           HG2      MET   5  11.732  -7.137  -5.149
   50    HG3  MET   5           HG3      MET   5  10.435  -8.322  -5.074
   51    HE1  MET   5           HE1      MET   5  11.656  -8.946  -2.790
   52    HE2  MET   5           HE2      MET   5  13.282  -9.637  -2.652
   53    HE3  MET   5           HE3      MET   5  13.079  -7.925  -3.065
   54    H    PHE   6           H        PHE   6  13.009  -6.249  -9.130
   55    HA   PHE   6           HA       PHE   6  11.836  -7.564 -11.499
   56    HB2  PHE   6           HB2      PHE   6  13.384  -4.936 -11.596
   57    HB3  PHE   6           HB3      PHE   6  12.824  -5.874 -12.962
   58    HD1  PHE   6           HD1      PHE   6  11.664  -3.834 -10.061
   59    HD2  PHE   6           HD2      PHE   6  10.684  -5.522 -13.907
   60    HE1  PHE   6           HE1      PHE   6   9.586  -2.505 -10.114
   61    HE2  PHE   6           HE2      PHE   6   8.599  -4.172 -13.964
   62    HZ   PHE   6           HZ       PHE   6   8.047  -2.660 -12.057
   63    H    VAL   7           H        VAL   7  13.252  -9.278 -11.825
   64    HA   VAL   7           HA       VAL   7  16.156  -8.860 -11.430
   65    HB   VAL   7           HB       VAL   7  15.403  -9.139  -9.196
   66   HG11  VAL   7          HG11      VAL   7  13.748 -11.534 -10.056
   67   HG12  VAL   7          HG12      VAL   7  14.082 -11.072  -8.373
   68   HG13  VAL   7          HG13      VAL   7  13.165  -9.981  -9.403
   69   HG21  VAL   7          HG21      VAL   7  16.495 -11.104  -8.383
   70   HG22  VAL   7          HG22      VAL   7  16.388 -11.905  -9.962
   71   HG23  VAL   7          HG23      VAL   7  17.423 -10.464  -9.745
   72    H    CYS   8           H        CYS   8  17.419 -10.656 -12.136
   73    HA   CYS   8           HA       CYS   8  16.246 -13.039 -13.292
   74    HB2  CYS   8           HB2      CYS   8  16.100 -11.462 -15.187
   75    HB3  CYS   8           HB3      CYS   8  17.816 -11.071 -15.023
   76    H    LYS   9           H        LYS   9  18.395 -14.398 -14.061
   77    HA   LYS   9           HA       LYS   9  20.269 -14.318 -11.859
   78    HB2  LYS   9           HB2      LYS   9  21.527 -16.028 -13.023
   79    HB3  LYS   9           HB3      LYS   9  19.815 -16.427 -12.972
   80    HG2  LYS   9           HG2      LYS   9  19.570 -15.779 -15.351
   81    HG3  LYS   9           HG3      LYS   9  21.266 -15.263 -15.400
   82    HD2  LYS   9           HD2      LYS   9  22.013 -17.565 -14.915
   83    HD3  LYS   9           HD3      LYS   9  20.322 -18.107 -14.853
   84    HE2  LYS   9           HE2      LYS   9  20.003 -17.432 -17.221
   85    HE3  LYS   9           HE3      LYS   9  21.654 -16.810 -17.279
   86    HZ1  LYS   9           HZ1      LYS   9  22.467 -19.082 -16.940
   87    HZ2  LYS   9           HZ2      LYS   9  20.935 -19.666 -16.869
   88    HZ3  LYS   9           HZ3      LYS   9  21.506 -19.020 -18.253
   89    H    ARG  10           H        ARG  10  22.363 -13.580 -11.800
   90    HA   ARG  10           HA       ARG  10  23.997 -12.075 -11.978
   91    HB2  ARG  10           HB2      ARG  10  23.640 -12.320 -15.000
   92    HB3  ARG  10           HB3      ARG  10  25.008 -11.586 -14.170
   93    HG2  ARG  10           HG2      ARG  10  25.556 -13.760 -13.103
   94    HG3  ARG  10           HG3      ARG  10  24.208 -14.509 -13.975
   95    HD2  ARG  10           HD2      ARG  10  26.230 -14.961 -15.213
   96    HD3  ARG  10           HD3      ARG  10  25.259 -13.832 -16.142
   97    HE   ARG  10           HE       ARG  10  26.737 -12.033 -15.593
   98   HH11  ARG  10          HH21      ARG  10  28.013 -15.164 -14.450
   99   HH12  ARG  10          HH22      ARG  10  29.636 -14.586 -14.309
  100   HH21  ARG  10          HH11      ARG  10  28.818 -11.287 -15.383
  101   HH22  ARG  10          HH12      ARG  10  30.120 -12.320 -14.872
  102    H    ASN  11           H        ASN  11  24.659  -9.839 -12.705
  103    HA   ASN  11           HA       ASN  11  22.288  -8.083 -13.330
  104    HB2  ASN  11           HB2      ASN  11  23.640  -8.005 -10.982
  105    HB3  ASN  11           HB3      ASN  11  24.645  -6.896 -11.933
  106   HD21  ASN  11          HD22      ASN  11  22.901  -5.531 -13.525
  107   HD22  ASN  11          HD21      ASN  11  21.523  -4.887 -12.641
  108    H    SER  12           H        SER  12  25.021  -9.434 -14.760
  109    HA   SER  12           HA       SER  12  26.418  -7.220 -15.802
  110    HB2  SER  12           HB2      SER  12  26.125  -9.878 -17.224
  111    HB3  SER  12           HB3      SER  12  27.557  -8.843 -17.085
  112    HG   SER  12           HG       SER  12  27.585  -9.391 -14.807
  113    H    SER  13           H        SER  13  23.593  -9.039 -16.965
  114    HA   SER  13           HA       SER  13  22.792  -6.789 -18.649
  115    HB2  SER  13           HB2      SER  13  21.987  -8.428 -20.397
  116    HB3  SER  13           HB3      SER  13  23.743  -8.246 -20.296
  117    HG   SER  13           HG       SER  13  23.272 -10.441 -20.416
  118    H    ARG  14           H        ARG  14  20.498  -6.653 -18.720
  119    HA   ARG  14           HA       ARG  14  18.510  -6.519 -17.763
  120    HB2  ARG  14           HB2      ARG  14  18.815  -9.529 -17.270
  121    HB3  ARG  14           HB3      ARG  14  17.380  -8.608 -16.851
  122    HG2  ARG  14           HG2      ARG  14  16.744  -9.399 -18.802
  123    HG3  ARG  14           HG3      ARG  14  17.365  -7.832 -19.314
  124    HD2  ARG  14           HD2      ARG  14  19.432  -8.900 -20.134
  125    HD3  ARG  14           HD3      ARG  14  18.921 -10.465 -19.434
  126    HE   ARG  14           HE       ARG  14  16.821  -9.516 -20.983
  127   HH11  ARG  14          HH21      ARG  14  20.051 -10.909 -21.506
  128   HH12  ARG  14          HH22      ARG  14  19.737 -11.414 -23.129
  129   HH21  ARG  14          HH11      ARG  14  16.433 -10.062 -23.163
  130   HH22  ARG  14          HH12      ARG  14  17.579 -11.007 -24.071
  131    H    SER  15           H        SER  15  17.412  -7.350 -15.377
  132    HA   SER  15           HA       SER  15  17.203  -6.179 -13.418
  133    HB2  SER  15           HB2      SER  15  19.946  -7.284 -12.835
  134    HB3  SER  15           HB3      SER  15  18.585  -7.003 -11.716
  135    HG   SER  15           HG       SER  15  19.132  -9.247 -12.822
  136    H    GLN  16           H        GLN  16  17.731  -4.364 -15.352
  137    HA   GLN  16           HA       GLN  16  18.821  -2.263 -13.799
  138    HB2  GLN  16           HB2      GLN  16  20.392  -1.407 -15.260
  139    HB3  GLN  16           HB3      GLN  16  20.834  -3.081 -14.964
  140    HG2  GLN  16           HG2      GLN  16  19.685  -3.604 -17.217
  141    HG3  GLN  16           HG3      GLN  16  19.660  -1.842 -17.472
  142   HE21  GLN  16          HE22      GLN  16  21.312  -4.099 -18.877
  143   HE22  GLN  16          HE21      GLN  16  22.978  -3.618 -18.618
  144    H    MET  17           H        MET  17  17.795  -0.357 -14.565
  145    HA   MET  17           HA       MET  17  16.503   1.078 -15.612
  146    HB2  MET  17           HB2      MET  17  17.636   0.535 -17.669
  147    HB3  MET  17           HB3      MET  17  16.521  -0.795 -17.974
  148    HG2  MET  17           HG2      MET  17  15.750   0.830 -19.350
  149    HG3  MET  17           HG3      MET  17  14.634   0.923 -18.015
  150    HE1  MET  17           HE1      MET  17  16.570   3.154 -15.946
  151    HE2  MET  17           HE2      MET  17  15.721   4.567 -16.550
  152    HE3  MET  17           HE3      MET  17  14.785   3.103 -16.151
  153    H    ALA  18           H        ALA  18  15.189  -2.266 -15.620
  154    HA   ALA  18           HA       ALA  18  12.474  -1.280 -15.898
  155    HB1  ALA  18           HB1      ALA  18  13.415  -3.947 -14.779
  156    HB2  ALA  18           HB2      ALA  18  11.791  -3.556 -15.389
  157    HB3  ALA  18           HB3      ALA  18  13.163  -3.605 -16.513
  158    H    GLU  19           H        GLU  19  14.330  -2.390 -13.039
  159    HA   GLU  19           HA       GLU  19  12.425  -1.437 -11.115
  160    HB2  GLU  19           HB2      GLU  19  14.179  -1.720  -9.505
  161    HB3  GLU  19           HB3      GLU  19  14.210  -3.067 -10.621
  162    HG2  GLU  19           HG2      GLU  19  16.168  -0.737 -10.459
  163    HG3  GLU  19           HG3      GLU  19  16.444  -2.438 -10.094
  164    H    GLY  20           H        GLY  20  15.241   0.123 -12.716
  165    HA2  GLY  20           HA2      GLY  20  15.219   2.622 -11.507
  166    HA3  GLY  20           HA3      GLY  20  15.607   2.325 -13.214
  167    H    PHE  21           H        PHE  21  13.105   1.604 -14.315
  168    HA   PHE  21           HA       PHE  21  11.786   4.174 -14.304
  169    HB2  PHE  21           HB2      PHE  21  11.435   1.553 -15.711
  170    HB3  PHE  21           HB3      PHE  21   9.998   2.546 -15.556
  171    HD1  PHE  21           HD2      PHE  21  10.529   5.247 -15.906
  172    HD2  PHE  21           HD1      PHE  21  12.570   1.886 -17.694
  173    HE1  PHE  21           HE2      PHE  21  11.170   6.652 -17.863
  174    HE2  PHE  21           HE1      PHE  21  13.229   3.283 -19.613
  175    HZ   PHE  21           HZ       PHE  21  12.510   5.674 -19.727
  176    H    ALA  22           H        ALA  22  11.120   1.102 -12.634
  177    HA   ALA  22           HA       ALA  22   8.407   1.749 -12.127
  178    HB1  ALA  22           HB1      ALA  22   9.275  -0.518 -12.028
  179    HB2  ALA  22           HB2      ALA  22  10.342  -0.129 -10.682
  180    HB3  ALA  22           HB3      ALA  22   8.570  -0.111 -10.441
  181    H    LYS  23           H        LYS  23  11.339   2.569 -10.211
  182    HA   LYS  23           HA       LYS  23   9.863   3.824  -8.075
  183    HB2  LYS  23           HB2      LYS  23  11.983   5.168  -7.709
  184    HB3  LYS  23           HB3      LYS  23  12.241   3.417  -7.751
  185    HG2  LYS  23           HG2      LYS  23  13.116   3.481  -9.950
  186    HG3  LYS  23           HG3      LYS  23  12.541   5.128 -10.235
  187    HD2  LYS  23           HD2      LYS  23  14.839   5.215 -10.164
  188    HD3  LYS  23           HD3      LYS  23  14.250   5.993  -8.686
  189    HE2  LYS  23           HE2      LYS  23  14.754   3.968  -7.365
  190    HE3  LYS  23           HE3      LYS  23  15.206   3.076  -8.824
  191    HZ1  LYS  23           HZ1      LYS  23  16.665   5.468  -7.795
  192    HZ2  LYS  23           HZ2      LYS  23  17.144   3.925  -7.584
  193    HZ3  LYS  23           HZ3      LYS  23  17.120   4.561  -9.099
  194    H    THR  24           H        THR  24  10.476   4.940 -11.393
  195    HA   THR  24           HA       THR  24   9.800   7.680 -10.789
  196    HB   THR  24           HB       THR  24  10.770   6.090 -13.132
  197    HG1  THR  24           HG1      THR  24  12.262   6.966 -11.684
  198   HG21  THR  24          HG21      THR  24   9.119   7.425 -14.202
  199   HG22  THR  24          HG22      THR  24   9.607   8.884 -13.295
  200   HG23  THR  24          HG23      THR  24  10.702   8.156 -14.502
  201    H    LEU  25           H        LEU  25   8.367   5.064 -12.734
  202    HA   LEU  25           HA       LEU  25   5.978   6.576 -13.347
  203    HB2  LEU  25           HB2      LEU  25   6.651   3.613 -13.545
  204    HB3  LEU  25           HB3      LEU  25   5.209   4.339 -14.267
  205    HG   LEU  25           HG       LEU  25   8.079   5.092 -14.979
  206   HD11  LEU  25          HD11      LEU  25   7.750   2.792 -15.538
  207   HD12  LEU  25          HD12      LEU  25   6.171   3.112 -16.268
  208   HD13  LEU  25          HD13      LEU  25   7.659   3.711 -17.040
  209   HD21  LEU  25          HD21      LEU  25   5.432   5.695 -16.385
  210   HD22  LEU  25          HD22      LEU  25   6.465   6.870 -15.546
  211   HD23  LEU  25          HD23      LEU  25   7.055   6.081 -17.010
  212    H    GLY  26           H        GLY  26   6.863   4.192 -10.871
  213    HA2  GLY  26           HA2      GLY  26   4.109   3.982  -9.849
  214    HA3  GLY  26           HA3      GLY  26   5.520   2.985  -9.459
  215    H    ALA  27           H        ALA  27   6.307   6.324  -9.434
  216    HA   ALA  27           HA       ALA  27   7.198   6.431  -6.831
  217    HB1  ALA  27           HB1      ALA  27   7.175   8.890  -7.111
  218    HB2  ALA  27           HB2      ALA  27   7.769   8.099  -8.583
  219    HB3  ALA  27           HB3      ALA  27   6.115   8.734  -8.529
  220    H    GLY  28           H        GLY  28   6.216   6.420  -4.890
  221    HA2  GLY  28           HA2      GLY  28   4.743   6.882  -3.204
  222    HA3  GLY  28           HA3      GLY  28   3.847   7.949  -4.290
  223    H    LYS  29           H        LYS  29   3.923   5.042  -5.940
  224    HA   LYS  29           HA       LYS  29   1.291   4.197  -4.795
  225    HB2  LYS  29           HB2      LYS  29   2.486   3.536  -7.527
  226    HB3  LYS  29           HB3      LYS  29   0.859   3.148  -6.952
  227    HG2  LYS  29           HG2      LYS  29   0.352   5.587  -6.807
  228    HG3  LYS  29           HG3      LYS  29   1.959   5.941  -7.485
  229    HD2  LYS  29           HD2      LYS  29   1.370   4.549  -9.505
  230    HD3  LYS  29           HD3      LYS  29  -0.270   4.377  -8.875
  231    HE2  LYS  29           HE2      LYS  29   1.112   7.022  -9.535
  232    HE3  LYS  29           HE3      LYS  29   0.008   6.166 -10.612
  233    HZ1  LYS  29           HZ1      LYS  29  -1.755   6.479  -8.949
  234    HZ2  LYS  29           HZ2      LYS  29  -0.730   7.309  -7.968
  235    HZ3  LYS  29           HZ3      LYS  29  -1.140   7.909  -9.429
  236    H    ILE  30           H        ILE  30   4.497   2.976  -5.819
  237    HA   ILE  30           HA       ILE  30   4.036   0.446  -4.340
  238    HB   ILE  30           HB       ILE  30   4.681  -0.892  -6.252
  239   HG12  ILE  30          HG12      ILE  30   4.740   1.738  -7.788
  240   HG13  ILE  30          HG13      ILE  30   6.115   0.682  -7.477
  241   HG21  ILE  30          HG21      ILE  30   2.620  -0.812  -7.448
  242   HG22  ILE  30          HG22      ILE  30   2.255  -0.207  -5.828
  243   HG23  ILE  30          HG23      ILE  30   2.425   0.930  -7.178
  244   HD11  ILE  30          HD11      ILE  30   3.732   0.104  -9.328
  245   HD12  ILE  30          HD12      ILE  30   5.430   0.367  -9.767
  246   HD13  ILE  30          HD13      ILE  30   4.966  -1.099  -8.894
  247    H    ALA  31           H        ALA  31   6.017  -0.721  -3.895
  248    HA   ALA  31           HA       ALA  31   8.302   1.185  -3.474
  249    HB1  ALA  31           HB1      ALA  31   7.313  -1.147  -1.765
  250    HB2  ALA  31           HB2      ALA  31   8.706  -0.116  -1.425
  251    HB3  ALA  31           HB3      ALA  31   7.074   0.587  -1.423
  252    H    VAL  32           H        VAL  32   9.827   0.610  -5.078
  253    HA   VAL  32           HA       VAL  32  10.164  -2.237  -5.808
  254    HB   VAL  32           HB       VAL  32  11.813   0.138  -6.771
  255   HG11  VAL  32          HG11      VAL  32  11.002  -2.528  -8.020
  256   HG12  VAL  32          HG12      VAL  32  11.951  -1.251  -8.822
  257   HG13  VAL  32          HG13      VAL  32  12.606  -2.090  -7.406
  258   HG21  VAL  32          HG21      VAL  32  10.295   0.499  -8.589
  259   HG22  VAL  32          HG22      VAL  32   9.139  -0.713  -7.971
  260   HG23  VAL  32          HG23      VAL  32   9.437   0.821  -7.112
  261    H    THR  33           H        THR  33  11.616  -3.545  -4.859
  262    HA   THR  33           HA       THR  33  14.207  -2.570  -3.948
  263    HB   THR  33           HB       THR  33  12.377  -4.253  -2.207
  264    HG1  THR  33           HG1      THR  33  12.100  -2.486  -0.858
  265   HG21  THR  33          HG21      THR  33  14.095  -3.874  -0.427
  266   HG22  THR  33          HG22      THR  33  14.787  -4.680  -1.835
  267   HG23  THR  33          HG23      THR  33  15.076  -2.945  -1.585
  268    H    SER  34           H        SER  34  15.201  -3.906  -5.610
  269    HA   SER  34           HA       SER  34  13.892  -6.519  -5.998
  270    HB2  SER  34           HB2      SER  34  15.885  -5.111  -7.795
  271    HB3  SER  34           HB3      SER  34  14.949  -6.574  -8.159
  272    HG   SER  34           HG       SER  34  14.024  -3.907  -7.845
  273    H    SER  35           H        SER  35  16.267  -5.705  -3.984
  274    HA   SER  35           HA       SER  35  18.045  -6.772  -3.033
  275    HB2  SER  35           HB2      SER  35  16.552  -9.275  -3.860
  276    HB3  SER  35           HB3      SER  35  17.553  -9.024  -2.421
  277    HG   SER  35           HG       SER  35  15.959  -7.557  -1.653
  278    H    GLY  36           H        GLY  36  18.660  -9.744  -4.236
  279    HA2  GLY  36           HA2      GLY  36  19.881  -9.455  -6.724
  280    HA3  GLY  36           HA3      GLY  36  21.101  -9.149  -5.467
  281    H    LEU  37           H        LEU  37  21.475 -11.450  -6.906
  282    HA   LEU  37           HA       LEU  37  20.475 -13.630  -5.188
  283    HB2  LEU  37           HB2      LEU  37  21.162 -13.502  -8.125
  284    HB3  LEU  37           HB3      LEU  37  21.086 -15.047  -7.279
  285    HG   LEU  37           HG       LEU  37  18.724 -13.134  -7.222
  286   HD11  LEU  37          HD11      LEU  37  17.815 -14.294  -9.198
  287   HD12  LEU  37          HD12      LEU  37  19.337 -13.488  -9.582
  288   HD13  LEU  37          HD13      LEU  37  19.310 -15.254  -9.337
  289   HD21  LEU  37          HD21      LEU  37  18.922 -16.171  -7.007
  290   HD22  LEU  37          HD22      LEU  37  18.736 -15.074  -5.638
  291   HD23  LEU  37          HD23      LEU  37  17.433 -15.216  -6.838
  292    H    GLU  38           H        GLU  38  23.144 -12.290  -6.988
  293    HA   GLU  38           HA       GLU  38  25.103 -13.060  -5.001
  294    HB2  GLU  38           HB2      GLU  38  25.553 -13.615  -7.978
  295    HB3  GLU  38           HB3      GLU  38  26.767 -13.749  -6.693
  296    HG2  GLU  38           HG2      GLU  38  25.264 -15.516  -5.649
  297    HG3  GLU  38           HG3      GLU  38  24.275 -15.430  -7.125
  298    H    SER  39           H        SER  39  24.721 -11.873  -8.291
  299    HA   SER  39           HA       SER  39  24.691  -9.931  -9.312
  300    HB2  SER  39           HB2      SER  39  23.739  -8.977  -6.592
  301    HB3  SER  39           HB3      SER  39  23.409  -8.165  -8.135
  302    HG   SER  39           HG       SER  39  22.114  -9.846  -8.752
  303    H    SER  40           H        SER  40  25.168  -7.440  -9.083
  304    HA   SER  40           HA       SER  40  27.771  -6.657  -8.245
  305    HB2  SER  40           HB2      SER  40  27.218  -7.888 -10.990
  306    HB3  SER  40           HB3      SER  40  28.446  -6.608 -10.818
  307    HG   SER  40           HG       SER  40  28.450  -8.958  -9.214
  308    H    ARG  41           H        ARG  41  28.098  -4.521  -9.819
  309    HA   ARG  41           HA       ARG  41  25.616  -3.027  -9.679
  310    HB2  ARG  41           HB2      ARG  41  28.456  -2.475 -10.145
  311    HB3  ARG  41           HB3      ARG  41  27.529  -1.758 -11.449
  312    HG2  ARG  41           HG2      ARG  41  27.657  -0.060  -9.812
  313    HG3  ARG  41           HG3      ARG  41  26.017  -0.696  -9.680
  314    HD2  ARG  41           HD2      ARG  41  26.957  -2.259  -7.829
  315    HD3  ARG  41           HD3      ARG  41  28.419  -1.284  -7.863
  316    HE   ARG  41           HE       ARG  41  25.814  -0.660  -6.728
  317   HH11  ARG  41          HH21      ARG  41  28.834   0.855  -7.873
  318   HH12  ARG  41          HH22      ARG  41  28.629   2.284  -6.927
  319   HH21  ARG  41          HH11      ARG  41  25.536   1.227  -5.521
  320   HH22  ARG  41          HH12      ARG  41  26.717   2.499  -5.538
  321    H    VAL  42           H        VAL  42  24.776  -1.894 -11.468
  322    HA   VAL  42           HA       VAL  42  23.960  -3.500 -13.760
  323    HB   VAL  42           HB       VAL  42  22.567  -1.637 -14.205
  324   HG11  VAL  42          HG11      VAL  42  21.339  -1.237 -12.227
  325   HG12  VAL  42          HG12      VAL  42  21.951  -2.886 -12.127
  326   HG13  VAL  42          HG13      VAL  42  22.707  -1.594 -11.168
  327   HG21  VAL  42          HG21      VAL  42  24.144   0.236 -14.073
  328   HG22  VAL  42          HG22      VAL  42  22.822   0.569 -12.953
  329   HG23  VAL  42          HG23      VAL  42  24.377  -0.011 -12.331
  330    H    HIS  43           H        HIS  43  24.116  -2.149 -15.988
  331    HA   HIS  43           HA       HIS  43  26.976  -2.339 -16.570
  332    HB2  HIS  43           HB2      HIS  43  25.170  -3.189 -18.061
  333    HB3  HIS  43           HB3      HIS  43  24.693  -1.530 -18.413
  334    HD1  HIS  43           HD1      HIS  43  26.236  -0.246 -20.210
  335    HD2  HIS  43           HD2      HIS  43  27.491  -4.101 -19.098
  336    HE1  HIS  43           HE1      HIS  43  28.129  -0.864 -21.798
  337    HA   PRO  44           HA       PRO  44  27.941   1.829 -15.587
  338    HB2  PRO  44           HB2      PRO  44  30.021   2.472 -17.342
  339    HB3  PRO  44           HB3      PRO  44  30.183   1.500 -15.850
  340    HG2  PRO  44           HG2      PRO  44  29.831   0.505 -18.699
  341    HG3  PRO  44           HG3      PRO  44  30.978  -0.072 -17.445
  342    HD2  PRO  44           HD2      PRO  44  28.706  -1.405 -17.907
  343    HD3  PRO  44           HD3      PRO  44  29.243  -1.141 -16.224
  344    H    THR  45           H        THR  45  27.964   1.559 -19.232
  345    HA   THR  45           HA       THR  45  27.110   4.185 -19.653
  346    HB   THR  45           HB       THR  45  26.522   1.873 -21.428
  347    HG1  THR  45           HG1      THR  45  28.672   2.159 -22.210
  348   HG21  THR  45          HG21      THR  45  25.606   3.963 -22.290
  349   HG22  THR  45          HG22      THR  45  27.169   4.778 -22.056
  350   HG23  THR  45          HG23      THR  45  26.989   3.484 -23.270
  351    H    ALA  46           H        ALA  46  25.189   1.470 -18.481
  352    HA   ALA  46           HA       ALA  46  22.624   2.379 -19.422
  353    HB1  ALA  46           HB1      ALA  46  23.091   0.081 -18.321
  354    HB2  ALA  46           HB2      ALA  46  23.158   0.948 -16.747
  355    HB3  ALA  46           HB3      ALA  46  21.682   0.948 -17.699
  356    H    ILE  47           H        ILE  47  24.578   3.060 -16.507
  357    HA   ILE  47           HA       ILE  47  22.541   4.584 -15.233
  358    HB   ILE  47           HB       ILE  47  25.601   4.710 -15.045
  359   HG12  ILE  47          HG12      ILE  47  23.779   3.439 -12.985
  360   HG13  ILE  47          HG13      ILE  47  24.227   2.526 -14.415
  361   HG21  ILE  47          HG21      ILE  47  23.517   5.915 -13.171
  362   HG22  ILE  47          HG22      ILE  47  25.244   5.773 -12.783
  363   HG23  ILE  47          HG23      ILE  47  24.723   6.794 -14.121
  364   HD11  ILE  47          HD11      ILE  47  26.251   3.731 -12.488
  365   HD12  ILE  47          HD12      ILE  47  25.726   2.038 -12.526
  366   HD13  ILE  47          HD13      ILE  47  26.596   2.727 -13.909
  367    H    ALA  48           H        ALA  48  25.088   5.551 -17.564
  368    HA   ALA  48           HA       ALA  48  24.558   8.330 -17.375
  369    HB1  ALA  48           HB1      ALA  48  25.820   8.493 -19.498
  370    HB2  ALA  48           HB2      ALA  48  26.639   7.420 -18.347
  371    HB3  ALA  48           HB3      ALA  48  25.723   6.735 -19.712
  372    H    MET  49           H        MET  49  23.304   5.804 -19.567
  373    HA   MET  49           HA       MET  49  21.668   7.528 -21.202
  374    HB2  MET  49           HB2      MET  49  21.578   4.548 -20.633
  375    HB3  MET  49           HB3      MET  49  20.688   5.351 -21.930
  376    HG2  MET  49           HG2      MET  49  23.730   5.497 -21.664
  377    HG3  MET  49           HG3      MET  49  22.927   4.247 -22.540
  378    HE1  MET  49           HE1      MET  49  24.914   7.130 -22.917
  379    HE2  MET  49           HE2      MET  49  24.107   8.315 -23.980
  380    HE3  MET  49           HE3      MET  49  23.564   8.110 -22.296
  381    H    MET  50           H        MET  50  21.145   5.729 -18.212
  382    HA   MET  50           HA       MET  50  18.288   6.138 -18.234
  383    HB2  MET  50           HB2      MET  50  20.111   5.056 -16.076
  384    HB3  MET  50           HB3      MET  50  18.356   5.055 -16.029
  385    HG2  MET  50           HG2      MET  50  20.077   3.081 -17.136
  386    HG3  MET  50           HG3      MET  50  18.360   3.044 -17.033
  387    HE1  MET  50           HE1      MET  50  18.137   1.384 -19.621
  388    HE2  MET  50           HE2      MET  50  19.567   1.641 -20.620
  389    HE3  MET  50           HE3      MET  50  19.751   1.260 -18.889
  390    H    GLU  51           H        GLU  51  21.144   7.737 -16.828
  391    HA   GLU  51           HA       GLU  51  19.657   9.714 -15.456
  392    HB2  GLU  51           HB2      GLU  51  21.998   9.185 -14.958
  393    HB3  GLU  51           HB3      GLU  51  22.493   9.814 -16.537
  394    HG2  GLU  51           HG2      GLU  51  21.774  12.061 -15.902
  395    HG3  GLU  51           HG3      GLU  51  21.068  11.454 -14.401
  396    H    GLU  52           H        GLU  52  20.326   9.212 -18.888
  397    HA   GLU  52           HA       GLU  52  19.701  11.909 -19.658
  398    HB2  GLU  52           HB2      GLU  52  18.934   9.479 -21.318
  399    HB3  GLU  52           HB3      GLU  52  18.948  11.139 -21.819
  400    HG2  GLU  52           HG2      GLU  52  21.385  11.272 -21.559
  401    HG3  GLU  52           HG3      GLU  52  21.434   9.565 -21.119
  402    H    VAL  53           H        VAL  53  17.767   9.046 -18.853
  403    HA   VAL  53           HA       VAL  53  15.306  10.708 -19.075
  404    HB   VAL  53           HB       VAL  53  15.288   8.442 -19.979
  405   HG11  VAL  53          HG11      VAL  53  15.223   7.547 -17.083
  406   HG12  VAL  53          HG12      VAL  53  14.727   6.538 -18.453
  407   HG13  VAL  53          HG13      VAL  53  16.394   7.100 -18.339
  408   HG21  VAL  53          HG21      VAL  53  13.238   9.750 -19.481
  409   HG22  VAL  53          HG22      VAL  53  13.014   7.998 -19.453
  410   HG23  VAL  53          HG23      VAL  53  13.114   8.896 -17.928
  411    H    GLY  54           H        GLY  54  17.649  10.841 -16.960
  412    HA2  GLY  54           HA2      GLY  54  17.731  11.995 -15.008
  413    HA3  GLY  54           HA3      GLY  54  15.965  12.062 -14.963
  414    H    ILE  55           H        ILE  55  17.493   8.911 -15.244
  415    HA   ILE  55           HA       ILE  55  16.615   8.258 -12.470
  416    HB   ILE  55           HB       ILE  55  16.531   6.724 -15.012
  417   HG12  ILE  55          HG12      ILE  55  14.427   7.953 -13.202
  418   HG13  ILE  55          HG13      ILE  55  14.759   8.321 -14.893
  419   HG21  ILE  55          HG21      ILE  55  17.123   5.144 -13.186
  420   HG22  ILE  55          HG22      ILE  55  15.702   5.703 -12.269
  421   HG23  ILE  55          HG23      ILE  55  15.527   4.849 -13.814
  422   HD11  ILE  55          HD11      ILE  55  12.759   7.077 -14.890
  423   HD12  ILE  55          HD12      ILE  55  13.995   5.926 -15.433
  424   HD13  ILE  55          HD13      ILE  55  13.411   5.904 -13.739
  425    H    ASP  56           H        ASP  56  17.881   6.905 -11.175
  426    HA   ASP  56           HA       ASP  56  20.507   6.037 -12.286
  427    HB2  ASP  56           HB2      ASP  56  21.038   7.716 -10.646
  428    HB3  ASP  56           HB3      ASP  56  19.965   6.962  -9.459
  429    H    ILE  57           H        ILE  57  21.201   4.078 -11.570
  430    HA   ILE  57           HA       ILE  57  19.279   2.100 -10.496
  431    HB   ILE  57           HB       ILE  57  20.032   0.615 -12.517
  432   HG12  ILE  57          HG12      ILE  57  20.155   3.291 -13.968
  433   HG13  ILE  57          HG13      ILE  57  21.620   2.524 -13.358
  434   HG21  ILE  57          HG21      ILE  57  18.056   1.302 -13.788
  435   HG22  ILE  57          HG22      ILE  57  17.726   1.269 -12.046
  436   HG23  ILE  57          HG23      ILE  57  17.971   2.831 -12.880
  437   HD11  ILE  57          HD11      ILE  57  19.721   1.266 -15.373
  438   HD12  ILE  57          HD12      ILE  57  21.298   2.025 -15.672
  439   HD13  ILE  57          HD13      ILE  57  21.214   0.541 -14.719
  440    H    SER  58           H        SER  58  22.584   3.169 -11.103
  441    HA   SER  58           HA       SER  58  24.133   1.037 -10.295
  442    HB2  SER  58           HB2      SER  58  24.671   3.583 -10.769
  443    HB3  SER  58           HB3      SER  58  24.532   3.752  -9.016
  444    HG   SER  58           HG       SER  58  26.692   3.257  -9.696
  445    H    GLY  59           H        GLY  59  22.131   3.121  -8.196
  446    HA2  GLY  59           HA2      GLY  59  22.992   2.137  -5.702
  447    HA3  GLY  59           HA3      GLY  59  21.496   3.017  -6.020
  448    H    GLN  60           H        GLN  60  21.460   0.127  -7.878
  449    HA   GLN  60           HA       GLN  60  19.338  -1.027  -6.414
  450    HB2  GLN  60           HB2      GLN  60  21.039  -1.725  -8.757
  451    HB3  GLN  60           HB3      GLN  60  20.571  -3.132  -7.831
  452    HG2  GLN  60           HG2      GLN  60  18.163  -2.396  -7.948
  453    HG3  GLN  60           HG3      GLN  60  18.675  -1.111  -9.065
  454   HE21  GLN  60          HE22      GLN  60  19.400  -1.726 -11.202
  455   HE22  GLN  60          HE21      GLN  60  19.375  -3.408 -11.751
  456    H    THR  61           H        THR  61  22.829  -1.497  -6.072
  457    HA   THR  61           HA       THR  61  22.758  -4.125  -5.114
  458    HB   THR  61           HB       THR  61  25.104  -3.311  -4.135
  459    HG1  THR  61           HG1      THR  61  24.822  -1.105  -4.388
  460   HG21  THR  61          HG21      THR  61  24.693  -4.791  -6.074
  461   HG22  THR  61          HG22      THR  61  24.485  -3.361  -7.115
  462   HG23  THR  61          HG23      THR  61  26.057  -3.691  -6.323
  463    H    SER  62           H        SER  62  22.143  -5.017  -3.308
  464    HA   SER  62           HA       SER  62  21.731  -3.546  -0.791
  465    HB2  SER  62           HB2      SER  62  19.540  -4.835  -2.499
  466    HB3  SER  62           HB3      SER  62  19.313  -4.190  -0.865
  467    HG   SER  62           HG       SER  62  19.813  -2.826  -3.285
  468    H    ASP  63           H        ASP  63  20.283  -5.419   0.509
  469    HA   ASP  63           HA       ASP  63  21.866  -7.686   1.030
  470    HB2  ASP  63           HB2      ASP  63  18.990  -6.897   1.452
  471    HB3  ASP  63           HB3      ASP  63  19.466  -8.555   1.804
  472    HA   PRO  64           HA       PRO  64  20.634 -10.547  -2.238
  473    HB2  PRO  64           HB2      PRO  64  20.735 -12.966  -0.980
  474    HB3  PRO  64           HB3      PRO  64  22.212 -12.028  -1.359
  475    HG2  PRO  64           HG2      PRO  64  20.691 -12.105   1.282
  476    HG3  PRO  64           HG3      PRO  64  22.452 -12.325   1.013
  477    HD2  PRO  64           HD2      PRO  64  21.392  -9.929   1.731
  478    HD3  PRO  64           HD3      PRO  64  22.765 -10.017   0.589
  479    H    ILE  65           H        ILE  65  18.792 -11.832  -2.843
  480    HA   ILE  65           HA       ILE  65  16.328 -10.943  -1.802
  481    HB   ILE  65           HB       ILE  65  16.935 -11.768  -4.099
  482   HG12  ILE  65          HG12      ILE  65  14.422 -12.953  -2.942
  483   HG13  ILE  65          HG13      ILE  65  14.639 -11.263  -3.396
  484   HG21  ILE  65          HG21      ILE  65  18.034 -13.914  -3.458
  485   HG22  ILE  65          HG22      ILE  65  16.435 -14.566  -3.021
  486   HG23  ILE  65          HG23      ILE  65  16.789 -14.105  -4.691
  487   HD11  ILE  65          HD11      ILE  65  14.627 -13.663  -5.267
  488   HD12  ILE  65          HD12      ILE  65  13.474 -12.326  -5.203
  489   HD13  ILE  65          HD13      ILE  65  15.124 -12.025  -5.765
  490    H    GLU  66           H        GLU  66  18.351 -13.596  -0.860
  491    HA   GLU  66           HA       GLU  66  16.408 -15.309   0.257
  492    HB2  GLU  66           HB2      GLU  66  19.273 -15.063   1.263
  493    HB3  GLU  66           HB3      GLU  66  18.269 -16.517   1.185
  494    HG2  GLU  66           HG2      GLU  66  18.387 -16.307  -1.359
  495    HG3  GLU  66           HG3      GLU  66  19.538 -14.984  -1.103
  496    H    ASN  67           H        ASN  67  18.002 -12.464   1.338
  497    HA   ASN  67           HA       ASN  67  17.739 -12.633   4.167
  498    HB2  ASN  67           HB2      ASN  67  19.103 -10.959   2.716
  499    HB3  ASN  67           HB3      ASN  67  17.591 -10.068   2.549
  500   HD21  ASN  67          HD22      ASN  67  19.999 -11.292   4.889
  501   HD22  ASN  67          HD21      ASN  67  19.616 -10.155   6.158
  502    H    PHE  68           H        PHE  68  15.337 -12.224   1.728
  503    HA   PHE  68           HA       PHE  68  13.286 -11.216   3.643
  504    HB2  PHE  68           HB2      PHE  68  13.231 -10.911   0.620
  505    HB3  PHE  68           HB3      PHE  68  12.199 -10.124   1.803
  506    HD1  PHE  68           HD2      PHE  68  15.551 -10.241   0.306
  507    HD2  PHE  68           HD1      PHE  68  12.896  -8.055   2.868
  508    HE1  PHE  68           HE2      PHE  68  17.144  -8.310   0.276
  509    HE2  PHE  68           HE1      PHE  68  14.437  -6.079   2.792
  510    HZ   PHE  68           HZ       PHE  68  16.563  -6.217   1.508
  511    H    ASN  69           H        ASN  69  11.017 -11.962   2.844
  512    HA   ASN  69           HA       ASN  69  11.140 -14.375   1.277
  513    HB2  ASN  69           HB2      ASN  69   9.337 -15.305   2.517
  514    HB3  ASN  69           HB3      ASN  69  10.657 -14.864   3.644
  515   HD21  ASN  69          HD22      ASN  69   7.838 -15.398   4.341
  516   HD22  ASN  69          HD21      ASN  69   7.246 -13.919   5.057
  517    H    ALA  70           H        ALA  70   9.129 -14.838  -0.006
  518    HA   ALA  70           HA       ALA  70   8.709 -12.345  -1.330
  519    HB1  ALA  70           HB1      ALA  70   7.723 -13.706  -3.102
  520    HB2  ALA  70           HB2      ALA  70   9.219 -14.486  -2.560
  521    HB3  ALA  70           HB3      ALA  70   7.647 -15.108  -2.013
  522    H    ASP  71           H        ASP  71   7.069 -14.396   0.922
  523    HA   ASP  71           HA       ASP  71   4.469 -13.731   0.259
  524    HB2  ASP  71           HB2      ASP  71   5.008 -15.609   1.725
  525    HB3  ASP  71           HB3      ASP  71   5.622 -14.504   2.956
  526    H    ASP  72           H        ASP  72   6.908 -11.792   1.867
  527    HA   ASP  72           HA       ASP  72   5.061  -9.947   3.112
  528    HB2  ASP  72           HB2      ASP  72   7.353 -10.315   3.991
  529    HB3  ASP  72           HB3      ASP  72   8.000  -9.645   2.480
  530    H    TYR  73           H        TYR  73   6.600 -10.407   0.031
  531    HA   TYR  73           HA       TYR  73   6.233  -7.697  -0.901
  532    HB2  TYR  73           HB2      TYR  73   7.456 -10.197  -2.075
  533    HB3  TYR  73           HB3      TYR  73   7.031  -8.860  -3.125
  534    HD1  TYR  73           HD2      TYR  73   8.913  -9.530   0.081
  535    HD2  TYR  73           HD1      TYR  73   8.600  -7.163  -3.519
  536    HE1  TYR  73           HE2      TYR  73  10.923  -8.273   0.744
  537    HE2  TYR  73           HE1      TYR  73  10.635  -5.906  -2.863
  538    HH   TYR  73           HH       TYR  73  12.416  -6.574   0.204
  539    H    ASP  74           H        ASP  74   5.153  -7.432  -3.153
  540    HA   ASP  74           HA       ASP  74   2.533  -8.906  -3.128
  541    HB2  ASP  74           HB2      ASP  74   2.290  -6.566  -2.433
  542    HB3  ASP  74           HB3      ASP  74   3.080  -6.036  -3.917
  543    H    VAL  75           H        VAL  75   5.067  -7.346  -5.176
  544    HA   VAL  75           HA       VAL  75   4.147  -9.018  -7.434
  545    HB   VAL  75           HB       VAL  75   3.115  -7.040  -7.934
  546   HG11  VAL  75          HG11      VAL  75   3.632  -5.564  -6.160
  547   HG12  VAL  75          HG12      VAL  75   5.276  -5.355  -6.764
  548   HG13  VAL  75          HG13      VAL  75   3.907  -4.741  -7.692
  549   HG21  VAL  75          HG21      VAL  75   5.852  -6.581  -9.164
  550   HG22  VAL  75          HG22      VAL  75   4.617  -7.669  -9.789
  551   HG23  VAL  75          HG23      VAL  75   4.305  -5.918  -9.736
  552    H    VAL  76           H        VAL  76   5.717  -9.848  -8.712
  553    HA   VAL  76           HA       VAL  76   8.510  -9.007  -8.292
  554    HB   VAL  76           HB       VAL  76   7.351 -11.757  -7.850
  555   HG11  VAL  76          HG11      VAL  76   9.464 -12.038  -9.045
  556   HG12  VAL  76          HG12      VAL  76  10.293 -10.893  -7.963
  557   HG13  VAL  76          HG13      VAL  76   9.718 -12.453  -7.355
  558   HG21  VAL  76          HG21      VAL  76   8.211 -11.696  -5.591
  559   HG22  VAL  76          HG22      VAL  76   8.980 -10.111  -5.844
  560   HG23  VAL  76          HG23      VAL  76   7.214 -10.289  -5.806
  561    H    ILE  77           H        ILE  77   9.605  -9.143 -10.188
  562    HA   ILE  77           HA       ILE  77   8.173 -10.239 -12.559
  563    HB   ILE  77           HB       ILE  77   9.821  -7.714 -12.189
  564   HG12  ILE  77          HG12      ILE  77   7.642  -7.443 -11.104
  565   HG13  ILE  77          HG13      ILE  77   7.824  -6.412 -12.495
  566   HG21  ILE  77          HG21      ILE  77  10.234  -8.377 -14.400
  567   HG22  ILE  77          HG22      ILE  77   8.527  -8.846 -14.678
  568   HG23  ILE  77          HG23      ILE  77   8.976  -7.138 -14.510
  569   HD11  ILE  77          HD11      ILE  77   6.335  -7.773 -13.823
  570   HD12  ILE  77          HD12      ILE  77   6.298  -9.059 -12.594
  571   HD13  ILE  77          HD13      ILE  77   5.558  -7.495 -12.254
  572    H    SER  78           H        SER  78   9.355 -11.569 -13.771
  573    HA   SER  78           HA       SER  78  12.241 -11.768 -13.237
  574    HB2  SER  78           HB2      SER  78  10.292 -13.546 -14.726
  575    HB3  SER  78           HB3      SER  78  12.059 -13.632 -14.964
  576    HG   SER  78           HG       SER  78  11.566 -15.049 -13.342
  577    H    LEU  79           H        LEU  79  13.610 -10.793 -14.618
  578    HA   LEU  79           HA       LEU  79  12.509  -9.439 -17.038
  579    HB2  LEU  79           HB2      LEU  79  15.186  -9.253 -15.614
  580    HB3  LEU  79           HB3      LEU  79  14.817  -8.423 -17.126
  581    HG   LEU  79           HG       LEU  79  13.183  -7.994 -14.566
  582   HD11  LEU  79          HD11      LEU  79  15.505  -7.331 -14.230
  583   HD12  LEU  79          HD12      LEU  79  15.477  -6.368 -15.758
  584   HD13  LEU  79          HD13      LEU  79  14.499  -5.892 -14.368
  585   HD21  LEU  79          HD21      LEU  79  12.368  -6.000 -15.705
  586   HD22  LEU  79          HD22      LEU  79  13.361  -6.362 -17.140
  587   HD23  LEU  79          HD23      LEU  79  11.993  -7.408 -16.682
  588    H    CYS  80           H        CYS  80  13.880 -12.381 -16.177
  589    HA   CYS  80           HA       CYS  80  13.580 -13.363 -18.723
  590    HB2  CYS  80           HB2      CYS  80  16.064 -14.327 -18.807
  591    HB3  CYS  80           HB3      CYS  80  15.575 -12.867 -19.633
  592    H    GLY  81           H        GLY  81  13.443 -15.655 -18.578
  593    HA2  GLY  81           HA2      GLY  81  13.513 -17.758 -17.706
  594    HA3  GLY  81           HA3      GLY  81  14.612 -17.198 -16.449
  595    H    SER  82           H        SER  82  12.781 -19.105 -15.848
  596    HA   SER  82           HA       SER  82  11.004 -17.757 -13.880
  597    HB2  SER  82           HB2      SER  82  10.130 -20.015 -15.737
  598    HB3  SER  82           HB3      SER  82   9.179 -19.291 -14.426
  599    HG   SER  82           HG       SER  82   8.679 -18.478 -16.558
  600    H    GLY  83           H        GLY  83  11.866 -18.493 -11.965
  601    HA2  GLY  83           HA2      GLY  83  12.837 -19.864 -10.405
  602    HA3  GLY  83           HA3      GLY  83  12.092 -21.230 -11.249
  603    H    VAL  84           H        VAL  84  14.390 -18.986 -12.757
  604    HA   VAL  84           HA       VAL  84  15.801 -21.142 -13.919
  605    HB   VAL  84           HB       VAL  84  15.378 -19.058 -15.019
  606   HG11  VAL  84          HG11      VAL  84  17.450 -17.646 -13.290
  607   HG12  VAL  84          HG12      VAL  84  16.504 -16.972 -14.624
  608   HG13  VAL  84          HG13      VAL  84  15.691 -17.423 -13.127
  609   HG21  VAL  84          HG21      VAL  84  17.524 -18.677 -16.108
  610   HG22  VAL  84          HG22      VAL  84  18.364 -19.541 -14.795
  611   HG23  VAL  84          HG23      VAL  84  17.225 -20.406 -15.852
  612    H    ASN  85           H        ASN  85  16.911 -18.820 -11.404
  613    HA   ASN  85           HA       ASN  85  18.387 -20.913 -10.036
  614    HB2  ASN  85           HB2      ASN  85  20.063 -20.115 -11.761
  615    HB3  ASN  85           HB3      ASN  85  19.910 -18.482 -11.114
  616   HD21  ASN  85          HD22      ASN  85  20.546 -21.877  -9.907
  617   HD22  ASN  85          HD21      ASN  85  21.798 -21.392  -8.792
  618    H    LEU  86           H        LEU  86  16.086 -19.672  -9.386
  619    HA   LEU  86           HA       LEU  86  16.670 -17.745  -7.255
  620    HB2  LEU  86           HB2      LEU  86  16.518 -16.258  -9.055
  621    HB3  LEU  86           HB3      LEU  86  15.215 -17.125  -9.842
  622    HG   LEU  86           HG       LEU  86  14.603 -16.042  -7.141
  623   HD11  LEU  86          HD11      LEU  86  15.813 -14.107  -8.049
  624   HD12  LEU  86          HD12      LEU  86  14.896 -14.213  -9.576
  625   HD13  LEU  86          HD13      LEU  86  14.083 -13.768  -8.056
  626   HD21  LEU  86          HD21      LEU  86  12.452 -15.445  -8.333
  627   HD22  LEU  86          HD22      LEU  86  13.139 -16.056  -9.837
  628   HD23  LEU  86          HD23      LEU  86  12.834 -17.163  -8.480
  629    HA   PRO  87           HA       PRO  87  13.783 -20.507  -5.705
  630    HB2  PRO  87           HB2      PRO  87  12.825 -18.564  -3.616
  631    HB3  PRO  87           HB3      PRO  87  13.482 -20.213  -3.419
  632    HG2  PRO  87           HG2      PRO  87  15.042 -18.035  -2.930
  633    HG3  PRO  87           HG3      PRO  87  15.708 -19.482  -3.756
  634    HD2  PRO  87           HD2      PRO  87  14.742 -16.893  -4.993
  635    HD3  PRO  87           HD3      PRO  87  16.239 -17.815  -5.300
  636    HA   PRO  88           HA       PRO  88   9.993 -19.965  -7.669
  637    HB2  PRO  88           HB2      PRO  88   8.323 -21.889  -6.629
  638    HB3  PRO  88           HB3      PRO  88   9.763 -22.267  -7.627
  639    HG2  PRO  88           HG2      PRO  88   9.553 -22.239  -4.598
  640    HG3  PRO  88           HG3      PRO  88  10.250 -23.517  -5.646
  641    HD2  PRO  88           HD2      PRO  88  11.824 -21.671  -4.449
  642    HD3  PRO  88           HD3      PRO  88  12.164 -22.205  -6.126
  643    H    GLU  89           H        GLU  89   9.589 -19.676  -4.128
  644    HA   GLU  89           HA       GLU  89   6.950 -18.729  -4.269
  645    HB2  GLU  89           HB2      GLU  89   7.307 -17.797  -2.052
  646    HB3  GLU  89           HB3      GLU  89   8.061 -19.385  -2.172
  647    HG2  GLU  89           HG2      GLU  89  10.283 -18.348  -2.409
  648    HG3  GLU  89           HG3      GLU  89   9.570 -16.739  -2.411
  649    H    TRP  90           H        TRP  90   9.784 -17.201  -5.412
  650    HA   TRP  90           HA       TRP  90   8.824 -14.458  -5.216
  651    HB2  TRP  90           HB2      TRP  90  11.132 -15.834  -6.588
  652    HB3  TRP  90           HB3      TRP  90  10.871 -14.108  -6.717
  653    HD1  TRP  90           HD1      TRP  90  12.445 -16.602  -4.477
  654    HE1  TRP  90           HE1      TRP  90  13.083 -15.608  -2.195
  655    HE3  TRP  90           HE3      TRP  90  10.210 -12.088  -4.975
  656    HZ2  TRP  90           HZ2      TRP  90  12.483 -13.168  -0.696
  657    HZ3  TRP  90           HZ3      TRP  90  10.091 -10.494  -3.083
  658    HH2  TRP  90           HH2      TRP  90  11.233 -11.002  -0.960
  659    H    VAL  91           H        VAL  91   9.094 -16.915  -7.803
  660    HA   VAL  91           HA       VAL  91   7.828 -15.133  -9.691
  661    HB   VAL  91           HB       VAL  91   8.056 -16.951 -11.277
  662   HG11  VAL  91          HG11      VAL  91  10.651 -16.597  -9.737
  663   HG12  VAL  91          HG12      VAL  91  10.429 -16.846 -11.486
  664   HG13  VAL  91          HG13      VAL  91   9.936 -15.326 -10.743
  665   HG21  VAL  91          HG21      VAL  91   9.194 -19.027 -10.796
  666   HG22  VAL  91          HG22      VAL  91   9.411 -18.564  -9.102
  667   HG23  VAL  91          HG23      VAL  91   7.784 -18.905  -9.737
  668    H    THR  92           H        THR  92   6.485 -17.047  -7.195
  669    HA   THR  92           HA       THR  92   3.933 -17.107  -8.681
  670    HB   THR  92           HB       THR  92   3.281 -18.672  -6.865
  671    HG1  THR  92           HG1      THR  92   4.636 -19.142  -5.219
  672   HG21  THR  92          HG21      THR  92   6.011 -19.396  -7.988
  673   HG22  THR  92          HG22      THR  92   4.787 -20.518  -7.372
  674   HG23  THR  92          HG23      THR  92   4.469 -19.571  -8.853
  675    H    GLN  93           H        GLN  93   5.096 -14.542  -7.359
  676    HA   GLN  93           HA       GLN  93   3.188 -14.085  -5.289
  677    HB2  GLN  93           HB2      GLN  93   5.028 -12.191  -6.814
  678    HB3  GLN  93           HB3      GLN  93   3.904 -11.599  -5.607
  679    HG2  GLN  93           HG2      GLN  93   6.150 -13.581  -5.135
  680    HG3  GLN  93           HG3      GLN  93   6.002 -11.950  -4.483
  681   HE21  GLN  93          HE22      GLN  93   5.770 -15.105  -3.558
  682   HE22  GLN  93          HE21      GLN  93   4.538 -14.980  -2.309
  683    H    GLU  94           H        GLU  94   1.805 -11.849  -5.512
  684    HA   GLU  94           HA       GLU  94  -0.560 -12.875  -6.543
  685    HB2  GLU  94           HB2      GLU  94   0.117  -9.949  -6.040
  686    HB3  GLU  94           HB3      GLU  94  -1.504 -10.609  -6.207
  687    HG2  GLU  94           HG2      GLU  94   0.466 -11.321  -3.992
  688    HG3  GLU  94           HG3      GLU  94  -0.923 -10.257  -3.848
  689    H    ILE  95           H        ILE  95   1.816 -10.898  -8.200
  690    HA   ILE  95           HA       ILE  95   0.533 -11.577 -10.735
  691    HB   ILE  95           HB       ILE  95  -0.142  -9.316 -10.658
  692   HG12  ILE  95          HG12      ILE  95   2.522  -9.214 -12.147
  693   HG13  ILE  95          HG13      ILE  95   1.144 -10.153 -12.722
  694   HG21  ILE  95          HG21      ILE  95   1.517  -7.445 -10.169
  695   HG22  ILE  95          HG22      ILE  95   1.047  -8.419  -8.775
  696   HG23  ILE  95          HG23      ILE  95   2.618  -8.679  -9.569
  697   HD11  ILE  95          HD11      ILE  95   1.313  -7.939 -13.835
  698   HD12  ILE  95          HD12      ILE  95  -0.221  -8.149 -12.964
  699   HD13  ILE  95          HD13      ILE  95   1.063  -7.135 -12.286
  700    H    PHE  96           H        PHE  96   2.019 -12.534 -11.984
  701    HA   PHE  96           HA       PHE  96   4.886 -12.154 -11.366
  702    HB2  PHE  96           HB2      PHE  96   4.435 -14.362 -10.662
  703    HB3  PHE  96           HB3      PHE  96   3.545 -14.733 -12.149
  704    HD1  PHE  96           HD2      PHE  96   6.899 -13.270 -11.184
  705    HD2  PHE  96           HD1      PHE  96   4.749 -15.982 -13.770
  706    HE1  PHE  96           HE2      PHE  96   9.000 -13.840 -12.341
  707    HE2  PHE  96           HE1      PHE  96   6.877 -16.577 -14.898
  708    HZ   PHE  96           HZ       PHE  96   9.005 -15.519 -14.184
  709    H    GLU  97           H        GLU  97   6.083 -11.751 -13.307
  710    HA   GLU  97           HA       GLU  97   4.829 -12.213 -15.893
  711    HB2  GLU  97           HB2      GLU  97   6.010  -9.506 -15.149
  712    HB3  GLU  97           HB3      GLU  97   5.618  -9.999 -16.779
  713    HG2  GLU  97           HG2      GLU  97   3.551  -9.726 -14.554
  714    HG3  GLU  97           HG3      GLU  97   3.984  -8.447 -15.666
  715    H    ASP  98           H        ASP  98   6.439 -12.665 -17.409
  716    HA   ASP  98           HA       ASP  98   9.274 -12.492 -16.541
  717    HB2  ASP  98           HB2      ASP  98   8.900 -14.843 -16.486
  718    HB3  ASP  98           HB3      ASP  98   7.977 -14.797 -17.998
  719    H    TRP  99           H        TRP  99   9.920 -10.760 -17.722
  720    HA   TRP  99           HA       TRP  99   8.297 -10.087 -20.088
  721    HB2  TRP  99           HB2      TRP  99  10.377  -8.499 -18.573
  722    HB3  TRP  99           HB3      TRP  99   9.645  -7.952 -20.068
  723    HD1  TRP  99           HD1      TRP  99   9.453  -6.850 -16.903
  724    HE1  TRP  99           HE1      TRP  99   7.172  -5.962 -16.175
  725    HE3  TRP  99           HE3      TRP  99   6.506  -9.083 -20.484
  726    HZ2  TRP  99           HZ2      TRP  99   4.426  -6.129 -17.069
  727    HZ3  TRP  99           HZ3      TRP  99   4.075  -8.725 -20.478
  728    HH2  TRP  99           HH2      TRP  99   3.018  -7.226 -18.799
  729    H    GLN 100           H        GLN 100   8.928 -10.180 -22.155
  730    HA   GLN 100           HA       GLN 100  11.651 -11.130 -22.805
  731    HB2  GLN 100           HB2      GLN 100   9.679 -12.008 -24.032
  732    HB3  GLN 100           HB3      GLN 100   9.292 -10.378 -24.592
  733    HG2  GLN 100           HG2      GLN 100  11.500 -10.289 -25.774
  734    HG3  GLN 100           HG3      GLN 100  11.864 -11.915 -25.187
  735   HE21  GLN 100          HE22      GLN 100  12.132 -11.973 -27.737
  736   HE22  GLN 100          HE21      GLN 100  10.726 -12.533 -28.611
  737    H    LEU 101           H        LEU 101  13.054  -9.498 -22.255
  738    HA   LEU 101           HA       LEU 101  12.674  -6.842 -23.522
  739    HB2  LEU 101           HB2      LEU 101  13.242  -7.484 -20.612
  740    HB3  LEU 101           HB3      LEU 101  14.092  -6.123 -21.322
  741    HG   LEU 101           HG       LEU 101  11.078  -6.363 -21.301
  742   HD11  LEU 101          HD11      LEU 101  11.725  -6.238 -19.060
  743   HD12  LEU 101          HD12      LEU 101  12.994  -5.057 -19.378
  744   HD13  LEU 101          HD13      LEU 101  11.268  -4.590 -19.507
  745   HD21  LEU 101          HD21      LEU 101  11.625  -4.993 -23.143
  746   HD22  LEU 101          HD22      LEU 101  11.211  -3.893 -21.856
  747   HD23  LEU 101          HD23      LEU 101  12.925  -4.179 -22.266
  748    H    GLU 102           H        GLU 102  14.390  -6.214 -24.631
  749    HA   GLU 102           HA       GLU 102  16.789  -7.819 -24.797
  750    HB2  GLU 102           HB2      GLU 102  15.874  -5.222 -26.092
  751    HB3  GLU 102           HB3      GLU 102  17.431  -5.975 -26.439
  752    HG2  GLU 102           HG2      GLU 102  16.410  -7.935 -27.376
  753    HG3  GLU 102           HG3      GLU 102  14.806  -7.483 -26.803
  754    H    ASP 103           H        ASP 103  18.975  -6.561 -24.549
  755    HA   ASP 103           HA       ASP 103  18.872  -4.572 -22.428
  756    HB2  ASP 103           HB2      ASP 103  18.977  -6.743 -21.287
  757    HB3  ASP 103           HB3      ASP 103  20.406  -7.187 -22.230
  758    HA   PRO 104           HA       PRO 104  21.996  -3.064 -25.155
  759    HB2  PRO 104           HB2      PRO 104  22.743  -0.818 -23.988
  760    HB3  PRO 104           HB3      PRO 104  21.045  -1.088 -24.470
  761    HG2  PRO 104           HG2      PRO 104  22.258  -1.531 -21.705
  762    HG3  PRO 104           HG3      PRO 104  20.825  -0.525 -22.124
  763    HD2  PRO 104           HD2      PRO 104  20.551  -3.092 -21.323
  764    HD3  PRO 104           HD3      PRO 104  19.523  -2.416 -22.615
  765    H    ASP 105           H        ASP 105  23.028  -4.655 -22.285
  766    HA   ASP 105           HA       ASP 105  25.661  -3.883 -21.847
  767    HB2  ASP 105           HB2      ASP 105  24.765  -5.551 -20.464
  768    HB3  ASP 105           HB3      ASP 105  24.269  -6.554 -21.835
  769    H    GLY 106           H        GLY 106  27.363  -3.672 -23.115
  770    HA2  GLY 106           HA2      GLY 106  28.929  -4.004 -24.717
  771    HA3  GLY 106           HA3      GLY 106  28.293  -5.640 -24.928
  772    H    GLN 107           H        GLN 107  25.791  -3.370 -25.523
  773    HA   GLN 107           HA       GLN 107  26.069  -3.815 -28.445
  774    HB2  GLN 107           HB2      GLN 107  23.656  -2.754 -26.944
  775    HB3  GLN 107           HB3      GLN 107  23.754  -3.302 -28.610
  776    HG2  GLN 107           HG2      GLN 107  24.612  -5.559 -27.219
  777    HG3  GLN 107           HG3      GLN 107  23.429  -4.844 -26.119
  778   HE21  GLN 107          HE22      GLN 107  21.503  -5.945 -26.333
  779   HE22  GLN 107          HE21      GLN 107  20.831  -6.481 -27.864
  780    H    SER 108           H        SER 108  25.220  -1.952 -29.836
  781    HA   SER 108           HA       SER 108  26.795   0.368 -29.445
  782    HB2  SER 108           HB2      SER 108  24.458  -0.073 -31.346
  783    HB3  SER 108           HB3      SER 108  25.782   1.095 -31.538
  784    HG   SER 108           HG       SER 108  26.144  -0.820 -32.776
  785    H    LEU 109           H        LEU 109  25.990   2.620 -29.348
  786    HA   LEU 109           HA       LEU 109  24.635   3.010 -26.993
  787    HB2  LEU 109           HB2      LEU 109  26.275   4.517 -28.295
  788    HB3  LEU 109           HB3      LEU 109  24.859   5.129 -29.148
  789    HG   LEU 109           HG       LEU 109  23.893   5.780 -26.893
  790   HD11  LEU 109          HD11      LEU 109  25.094   4.331 -25.349
  791   HD12  LEU 109          HD12      LEU 109  26.663   4.947 -25.922
  792   HD13  LEU 109          HD13      LEU 109  25.566   5.991 -24.999
  793   HD21  LEU 109          HD21      LEU 109  25.326   7.763 -26.632
  794   HD22  LEU 109          HD22      LEU 109  26.601   6.981 -27.595
  795   HD23  LEU 109          HD23      LEU 109  25.050   7.402 -28.344
  796    H    GLU 110           H        GLU 110  23.286   3.060 -30.241
  797    HA   GLU 110           HA       GLU 110  20.741   4.125 -29.890
  798    HB2  GLU 110           HB2      GLU 110  20.093   2.437 -31.710
  799    HB3  GLU 110           HB3      GLU 110  21.359   3.615 -32.081
  800    HG2  GLU 110           HG2      GLU 110  23.074   1.852 -31.734
  801    HG3  GLU 110           HG3      GLU 110  21.805   0.694 -31.342
  802    H    VAL 111           H        VAL 111  21.909   0.917 -28.936
  803    HA   VAL 111           HA       VAL 111  19.292  -0.207 -28.603
  804    HB   VAL 111           HB       VAL 111  21.929  -1.148 -27.467
  805   HG11  VAL 111          HG11      VAL 111  19.451  -2.781 -28.117
  806   HG12  VAL 111          HG12      VAL 111  20.983  -3.360 -27.404
  807   HG13  VAL 111          HG13      VAL 111  19.928  -2.285 -26.482
  808   HG21  VAL 111          HG21      VAL 111  21.820  -2.665 -29.594
  809   HG22  VAL 111          HG22      VAL 111  20.629  -1.491 -30.204
  810   HG23  VAL 111          HG23      VAL 111  22.274  -0.976 -29.838
  811    H    PHE 112           H        PHE 112  21.605   1.374 -26.339
  812    HA   PHE 112           HA       PHE 112  20.078   1.067 -23.975
  813    HB2  PHE 112           HB2      PHE 112  21.760   3.445 -24.913
  814    HB3  PHE 112           HB3      PHE 112  21.092   3.258 -23.302
  815    HD1  PHE 112           HD2      PHE 112  23.566   1.865 -25.696
  816    HD2  PHE 112           HD1      PHE 112  22.090   1.801 -21.655
  817    HE1  PHE 112           HE2      PHE 112  25.559   0.574 -25.002
  818    HE2  PHE 112           HE1      PHE 112  24.037   0.432 -20.970
  819    HZ   PHE 112           HZ       PHE 112  25.789  -0.182 -22.656
  820    H    ARG 113           H        ARG 113  19.856   3.649 -26.481
  821    HA   ARG 113           HA       ARG 113  17.787   5.073 -25.064
  822    HB2  ARG 113           HB2      ARG 113  17.706   5.429 -27.986
  823    HB3  ARG 113           HB3      ARG 113  17.876   6.626 -26.709
  824    HG2  ARG 113           HG2      ARG 113  20.061   4.917 -27.913
  825    HG3  ARG 113           HG3      ARG 113  19.729   6.577 -28.348
  826    HD2  ARG 113           HD2      ARG 113  20.546   5.809 -25.525
  827    HD3  ARG 113           HD3      ARG 113  21.734   5.968 -26.808
  828    HE   ARG 113           HE       ARG 113  20.598   8.076 -25.282
  829   HH11  ARG 113          HH11      ARG 113  21.651   7.451 -28.663
  830   HH12  ARG 113          HH12      ARG 113  22.141   9.082 -28.919
  831   HH21  ARG 113          HH21      ARG 113  21.353  10.160 -25.637
  832   HH22  ARG 113          HH22      ARG 113  21.901  10.669 -27.202
  833    H    THR 114           H        THR 114  17.661   2.564 -27.640
  834    HA   THR 114           HA       THR 114  14.867   2.449 -27.997
  835    HB   THR 114           HB       THR 114  17.245   0.583 -28.261
  836    HG1  THR 114           HG1      THR 114  17.159   2.070 -29.856
  837   HG21  THR 114          HG21      THR 114  15.833  -1.011 -29.494
  838   HG22  THR 114          HG22      THR 114  15.531  -0.955 -27.761
  839   HG23  THR 114          HG23      THR 114  14.383  -0.159 -28.866
  840    H    VAL 115           H        VAL 115  17.029   0.638 -25.696
  841    HA   VAL 115           HA       VAL 115  14.839  -0.851 -24.700
  842    HB   VAL 115           HB       VAL 115  17.697  -0.512 -23.740
  843   HG11  VAL 115          HG11      VAL 115  16.369  -1.172 -21.756
  844   HG12  VAL 115          HG12      VAL 115  15.600  -2.477 -22.697
  845   HG13  VAL 115          HG13      VAL 115  17.323  -2.539 -22.327
  846   HG21  VAL 115          HG21      VAL 115  17.937  -2.779 -24.681
  847   HG22  VAL 115          HG22      VAL 115  16.200  -2.850 -25.051
  848   HG23  VAL 115          HG23      VAL 115  17.247  -1.740 -25.935
  849    H    ARG 116           H        ARG 116  16.077   2.328 -23.708
  850    HA   ARG 116           HA       ARG 116  14.595   2.475 -21.287
  851    HB2  ARG 116           HB2      ARG 116  15.090   4.696 -23.347
  852    HB3  ARG 116           HB3      ARG 116  14.366   4.924 -21.751
  853    HG2  ARG 116           HG2      ARG 116  16.523   3.792 -20.841
  854    HG3  ARG 116           HG3      ARG 116  17.236   4.171 -22.399
  855    HD2  ARG 116           HD2      ARG 116  15.839   6.338 -20.788
  856    HD3  ARG 116           HD3      ARG 116  17.442   5.800 -20.346
  857    HE   ARG 116           HE       ARG 116  18.407   6.825 -22.095
  858   HH11  ARG 116          HH11      ARG 116  14.871   7.105 -22.650
  859   HH12  ARG 116          HH12      ARG 116  15.058   8.307 -23.864
  860   HH21  ARG 116          HH21      ARG 116  18.609   8.448 -23.674
  861   HH22  ARG 116          HH22      ARG 116  17.200   9.040 -24.489
  862    H    GLY 117           H        GLY 117  13.472   3.105 -24.674
  863    HA2  GLY 117           HA2      GLY 117  10.789   3.764 -23.983
  864    HA3  GLY 117           HA3      GLY 117  11.354   3.174 -25.550
  865    H    GLN 118           H        GLN 118  12.213   0.616 -25.069
  866    HA   GLN 118           HA       GLN 118   9.799  -0.872 -24.919
  867    HB2  GLN 118           HB2      GLN 118  12.572  -1.979 -24.437
  868    HB3  GLN 118           HB3      GLN 118  11.112  -2.864 -24.925
  869    HG2  GLN 118           HG2      GLN 118  11.117  -1.223 -26.987
  870    HG3  GLN 118           HG3      GLN 118  12.816  -0.970 -26.556
  871   HE21  GLN 118          HE22      GLN 118  13.596  -3.560 -25.735
  872   HE22  GLN 118          HE21      GLN 118  13.647  -4.505 -27.242
  873    H    VAL 119           H        VAL 119  12.300  -0.388 -22.454
  874    HA   VAL 119           HA       VAL 119  10.940  -2.112 -20.598
  875    HB   VAL 119           HB       VAL 119  13.152  -0.051 -20.179
  876   HG11  VAL 119          HG11      VAL 119  11.999  -2.116 -18.253
  877   HG12  VAL 119          HG12      VAL 119  13.560  -1.273 -18.044
  878   HG13  VAL 119          HG13      VAL 119  12.044  -0.346 -18.030
  879   HG21  VAL 119          HG21      VAL 119  14.576  -2.070 -20.042
  880   HG22  VAL 119          HG22      VAL 119  13.145  -3.107 -20.252
  881   HG23  VAL 119          HG23      VAL 119  13.693  -2.079 -21.576
  882    H    LYS 120           H        LYS 120  10.911   1.492 -21.005
  883    HA   LYS 120           HA       LYS 120   9.320   2.161 -18.798
  884    HB2  LYS 120           HB2      LYS 120  10.312   3.740 -20.549
  885    HB3  LYS 120           HB3      LYS 120   9.016   3.230 -21.653
  886    HG2  LYS 120           HG2      LYS 120   7.333   4.067 -19.965
  887    HG3  LYS 120           HG3      LYS 120   8.685   4.645 -18.966
  888    HD2  LYS 120           HD2      LYS 120   9.424   6.137 -20.788
  889    HD3  LYS 120           HD3      LYS 120   8.125   5.518 -21.836
  890    HE2  LYS 120           HE2      LYS 120   6.430   6.334 -20.193
  891    HE3  LYS 120           HE3      LYS 120   7.728   7.009 -19.195
  892    HZ1  LYS 120           HZ1      LYS 120   8.297   8.478 -21.067
  893    HZ2  LYS 120           HZ2      LYS 120   7.087   7.847 -21.978
  894    HZ3  LYS 120           HZ3      LYS 120   6.740   8.688 -20.624
  895    H    GLU 121           H        GLU 121   8.307   0.991 -22.063
  896    HA   GLU 121           HA       GLU 121   5.551   1.162 -21.556
  897    HB2  GLU 121           HB2      GLU 121   6.591   1.102 -23.737
  898    HB3  GLU 121           HB3      GLU 121   7.137  -0.563 -23.495
  899    HG2  GLU 121           HG2      GLU 121   4.834  -1.372 -23.381
  900    HG3  GLU 121           HG3      GLU 121   4.205   0.278 -23.480
  901    H    ARG 122           H        ARG 122   7.775  -1.671 -21.120
  902    HA   ARG 122           HA       ARG 122   5.744  -3.503 -20.249
  903    HB2  ARG 122           HB2      ARG 122   8.674  -3.321 -19.358
  904    HB3  ARG 122           HB3      ARG 122   7.610  -4.671 -19.032
  905    HG2  ARG 122           HG2      ARG 122   8.649  -3.823 -21.753
  906    HG3  ARG 122           HG3      ARG 122   9.125  -5.222 -20.789
  907    HD2  ARG 122           HD2      ARG 122   6.729  -6.040 -20.985
  908    HD3  ARG 122           HD3      ARG 122   6.497  -4.753 -22.197
  909    HE   ARG 122           HE       ARG 122   8.831  -6.240 -22.867
  910   HH11  ARG 122          HH21      ARG 122   5.300  -6.657 -22.893
  911   HH12  ARG 122          HH22      ARG 122   5.311  -7.802 -24.184
  912   HH21  ARG 122          HH11      ARG 122   8.867  -7.826 -24.488
  913   HH22  ARG 122          HH12      ARG 122   7.383  -8.439 -25.153
  914    H    VAL 123           H        VAL 123   7.772  -1.227 -18.387
  915    HA   VAL 123           HA       VAL 123   6.685  -2.036 -15.843
  916    HB   VAL 123           HB       VAL 123   8.221   0.385 -16.710
  917   HG11  VAL 123          HG11      VAL 123   8.861   0.598 -14.315
  918   HG12  VAL 123          HG12      VAL 123   7.119   0.834 -14.546
  919   HG13  VAL 123          HG13      VAL 123   7.717  -0.710 -13.904
  920   HG21  VAL 123          HG21      VAL 123  10.185  -0.747 -15.831
  921   HG22  VAL 123          HG22      VAL 123   9.214  -2.134 -15.301
  922   HG23  VAL 123          HG23      VAL 123   9.443  -1.815 -17.024
  923    H    GLU 124           H        GLU 124   5.780   0.626 -18.143
  924    HA   GLU 124           HA       GLU 124   3.776   1.783 -16.508
  925    HB2  GLU 124           HB2      GLU 124   4.124   1.564 -19.531
  926    HB3  GLU 124           HB3      GLU 124   2.701   2.327 -18.811
  927    HG2  GLU 124           HG2      GLU 124   4.175   3.915 -17.593
  928    HG3  GLU 124           HG3      GLU 124   5.568   3.259 -18.454
  929    H    ASN 125           H        ASN 125   3.627  -0.936 -18.811
  930    HA   ASN 125           HA       ASN 125   0.831  -1.337 -18.585
  931    HB2  ASN 125           HB2      ASN 125   2.196  -2.331 -20.394
  932    HB3  ASN 125           HB3      ASN 125   3.031  -3.356 -19.226
  933   HD21  ASN 125          HD22      ASN 125  -0.114  -2.763 -20.826
  934   HD22  ASN 125          HD21      ASN 125  -0.801  -4.318 -20.425
  935    H    LEU 126           H        LEU 126   3.534  -2.843 -16.760
  936    HA   LEU 126           HA       LEU 126   2.034  -4.519 -15.079
  937    HB2  LEU 126           HB2      LEU 126   4.452  -4.672 -15.275
  938    HB3  LEU 126           HB3      LEU 126   4.666  -3.006 -14.759
  939    HG   LEU 126           HG       LEU 126   3.900  -3.546 -12.499
  940   HD11  LEU 126          HD11      LEU 126   3.731  -6.414 -13.577
  941   HD12  LEU 126          HD12      LEU 126   3.627  -5.964 -11.862
  942   HD13  LEU 126          HD13      LEU 126   2.372  -5.432 -12.977
  943   HD21  LEU 126          HD21      LEU 126   6.121  -5.292 -13.592
  944   HD22  LEU 126          HD22      LEU 126   6.236  -3.613 -13.030
  945   HD23  LEU 126          HD23      LEU 126   5.876  -4.899 -11.866
  946    H    ILE 127           H        ILE 127   3.017  -1.061 -14.587
  947    HA   ILE 127           HA       ILE 127   1.866  -0.754 -11.957
  948    HB   ILE 127           HB       ILE 127   2.692   1.093 -14.228
  949   HG12  ILE 127          HG12      ILE 127   3.815   0.570 -11.446
  950   HG13  ILE 127          HG13      ILE 127   4.372  -0.326 -12.849
  951   HG21  ILE 127          HG21      ILE 127   2.469   2.982 -12.644
  952   HG22  ILE 127          HG22      ILE 127   0.915   2.253 -12.991
  953   HG23  ILE 127          HG23      ILE 127   1.725   1.893 -11.446
  954   HD11  ILE 127          HD11      ILE 127   5.927   1.432 -12.423
  955   HD12  ILE 127          HD12      ILE 127   5.030   1.822 -13.921
  956   HD13  ILE 127          HD13      ILE 127   4.642   2.648 -12.389
  957    H    ALA 128           H        ALA 128   0.644   0.005 -15.300
  958    HA   ALA 128           HA       ALA 128  -1.895   0.892 -14.525
  959    HB1  ALA 128           HB1      ALA 128  -1.120  -0.618 -17.057
  960    HB2  ALA 128           HB2      ALA 128  -2.545   0.413 -16.848
  961    HB3  ALA 128           HB3      ALA 128  -0.910   1.129 -16.795
  962    H    LYS 129           H        LYS 129  -0.734  -2.486 -14.739
  963    HA   LYS 129           HA       LYS 129  -3.371  -3.625 -14.423
  964    HB2  LYS 129           HB2      LYS 129  -0.604  -4.799 -13.977
  965    HB3  LYS 129           HB3      LYS 129  -2.095  -5.671 -13.648
  966    HG2  LYS 129           HG2      LYS 129  -2.796  -5.465 -15.990
  967    HG3  LYS 129           HG3      LYS 129  -1.322  -4.564 -16.379
  968    HD2  LYS 129           HD2      LYS 129   0.062  -6.501 -15.670
  969    HD3  LYS 129           HD3      LYS 129  -1.421  -7.396 -15.255
  970    HE2  LYS 129           HE2      LYS 129  -2.163  -7.048 -17.692
  971    HE3  LYS 129           HE3      LYS 129  -0.522  -6.472 -18.019
  972    HZ1  LYS 129           HZ1      LYS 129   0.285  -8.687 -17.219
  973    HZ2  LYS 129           HZ2      LYS 129  -1.271  -9.179 -17.062
  974    HZ3  LYS 129           HZ3      LYS 129  -0.688  -8.800 -18.536
  975    H    ILE 130           H        ILE 130  -0.616  -3.180 -12.128
  976    HA   ILE 130           HA       ILE 130  -2.226  -4.153 -10.020
  977    HB   ILE 130           HB       ILE 130  -0.344  -3.818  -8.601
  978   HG12  ILE 130          HG12      ILE 130   0.867  -2.277 -10.899
  979   HG13  ILE 130          HG13      ILE 130   0.541  -1.693  -9.273
  980   HG21  ILE 130          HG21      ILE 130  -0.540  -5.750 -10.215
  981   HG22  ILE 130          HG22      ILE 130   0.594  -4.889 -11.290
  982   HG23  ILE 130          HG23      ILE 130   1.095  -5.387  -9.653
  983   HD11  ILE 130          HD11      ILE 130   2.638  -3.752 -10.046
  984   HD12  ILE 130          HD12      ILE 130   2.911  -2.081  -9.565
  985   HD13  ILE 130          HD13      ILE 130   2.267  -3.229  -8.372
  986    H    SER 131           H        SER 131  -1.457  -0.816 -10.904
  987    HA   SER 131           HA       SER 131  -2.462   0.171  -8.377
  988    HB2  SER 131           HB2      SER 131  -0.882   1.444 -10.621
  989    HB3  SER 131           HB3      SER 131  -1.426   2.289  -9.151
  990    HG   SER 131           HG       SER 131   0.738   1.402  -8.957
  Start of MODEL   15
    1    H    MET   1           H        MET   1   1.829   1.796   0.741
    2    HA   MET   1           HA       MET   1   2.032   1.286  -1.610
    3    HB2  MET   1           HB2      MET   1   4.584   0.753  -0.002
    4    HB3  MET   1           HB3      MET   1   4.565   0.938  -1.749
    5    HG2  MET   1           HG2      MET   1   3.674   3.095   0.189
    6    HG3  MET   1           HG3      MET   1   5.270   2.945  -0.534
    7    HE1  MET   1           HE1      MET   1   5.955   3.487  -2.862
    8    HE2  MET   1           HE2      MET   1   5.145   4.847  -3.671
    9    HE3  MET   1           HE3      MET   1   5.714   5.017  -1.996
   10    H    LYS   2           H        LYS   2   2.324  -0.249  -3.287
   11    HA   LYS   2           HA       LYS   2   2.350  -3.137  -2.550
   12    HB2  LYS   2           HB2      LYS   2   2.589  -2.070  -5.366
   13    HB3  LYS   2           HB3      LYS   2   2.012  -3.621  -4.828
   14    HG2  LYS   2           HG2      LYS   2  -0.028  -2.594  -3.871
   15    HG3  LYS   2           HG3      LYS   2   0.557  -0.984  -4.323
   16    HD2  LYS   2           HD2      LYS   2   0.681  -1.927  -6.749
   17    HD3  LYS   2           HD3      LYS   2  -0.386  -3.202  -6.157
   18    HE2  LYS   2           HE2      LYS   2  -0.938  -0.199  -5.832
   19    HE3  LYS   2           HE3      LYS   2  -1.436  -1.101  -7.257
   20    HZ1  LYS   2           HZ1      LYS   2  -3.233  -0.949  -5.628
   21    HZ2  LYS   2           HZ2      LYS   2  -2.829  -2.508  -5.860
   22    HZ3  LYS   2           HZ3      LYS   2  -2.359  -1.723  -4.491
   23    H    LYS   3           H        LYS   3   4.370  -4.092  -2.083
   24    HA   LYS   3           HA       LYS   3   6.728  -2.551  -2.956
   25    HB2  LYS   3           HB2      LYS   3   6.871  -5.161  -1.475
   26    HB3  LYS   3           HB3      LYS   3   8.096  -3.905  -1.666
   27    HG2  LYS   3           HG2      LYS   3   6.513  -2.344  -0.395
   28    HG3  LYS   3           HG3      LYS   3   5.544  -3.792  -0.027
   29    HD2  LYS   3           HD2      LYS   3   7.504  -4.844   1.038
   30    HD3  LYS   3           HD3      LYS   3   8.489  -3.403   0.680
   31    HE2  LYS   3           HE2      LYS   3   6.914  -1.995   1.980
   32    HE3  LYS   3           HE3      LYS   3   5.912  -3.418   2.311
   33    HZ1  LYS   3           HZ1      LYS   3   8.680  -2.959   3.293
   34    HZ2  LYS   3           HZ2      LYS   3   7.321  -3.071   4.199
   35    HZ3  LYS   3           HZ3      LYS   3   7.914  -4.400   3.428
   36    H    VAL   4           H        VAL   4   8.095  -3.096  -4.527
   37    HA   VAL   4           HA       VAL   4   7.186  -5.175  -6.442
   38    HB   VAL   4           HB       VAL   4   8.641  -2.709  -7.274
   39   HG11  VAL   4          HG11      VAL   4   6.353  -4.210  -8.601
   40   HG12  VAL   4          HG12      VAL   4   7.346  -2.958  -9.333
   41   HG13  VAL   4          HG13      VAL   4   8.080  -4.518  -8.924
   42   HG21  VAL   4          HG21      VAL   4   5.643  -2.626  -6.807
   43   HG22  VAL   4          HG22      VAL   4   6.867  -1.681  -5.929
   44   HG23  VAL   4          HG23      VAL   4   6.652  -1.411  -7.643
   45    H    MET   5           H        MET   5   8.868  -6.292  -7.449
   46    HA   MET   5           HA       MET   5  11.663  -5.493  -6.952
   47    HB2  MET   5           HB2      MET   5  11.053  -7.108  -5.178
   48    HB3  MET   5           HB3      MET   5  10.578  -8.286  -6.413
   49    HG2  MET   5           HG2      MET   5  12.830  -8.485  -7.211
   50    HG3  MET   5           HG3      MET   5  13.387  -7.143  -6.231
   51    HE1  MET   5           HE1      MET   5  12.063  -7.757  -3.282
   52    HE2  MET   5           HE2      MET   5  13.491  -8.566  -2.622
   53    HE3  MET   5           HE3      MET   5  13.689  -7.144  -3.671
   54    H    PHE   6           H        PHE   6  13.065  -6.034  -8.630
   55    HA   PHE   6           HA       PHE   6  11.965  -7.449 -10.981
   56    HB2  PHE   6           HB2      PHE   6  13.469  -4.788 -10.962
   57    HB3  PHE   6           HB3      PHE   6  13.103  -5.713 -12.383
   58    HD1  PHE   6           HD2      PHE   6  11.784  -3.552  -9.757
   59    HD2  PHE   6           HD1      PHE   6  10.805  -5.678 -13.389
   60    HE1  PHE   6           HE2      PHE   6   9.632  -2.322  -9.913
   61    HE2  PHE   6           HE1      PHE   6   8.712  -4.382 -13.577
   62    HZ   PHE   6           HZ       PHE   6   8.103  -2.718 -11.830
   63    H    VAL   7           H        VAL   7  13.427  -9.130 -11.290
   64    HA   VAL   7           HA       VAL   7  16.277  -8.578 -10.702
   65    HB   VAL   7           HB       VAL   7  15.485  -9.016  -8.568
   66   HG11  VAL   7          HG11      VAL   7  13.237  -9.782  -8.914
   67   HG12  VAL   7          HG12      VAL   7  13.811 -11.338  -9.566
   68   HG13  VAL   7          HG13      VAL   7  14.079 -10.912  -7.860
   69   HG21  VAL   7          HG21      VAL   7  17.490 -10.346  -9.205
   70   HG22  VAL   7          HG22      VAL   7  16.559 -11.038  -7.862
   71   HG23  VAL   7          HG23      VAL   7  16.430 -11.747  -9.484
   72    H    CYS   8           H        CYS   8  17.420  -9.355 -12.252
   73    HA   CYS   8           HA       CYS   8  16.604 -11.819 -13.737
   74    HB2  CYS   8           HB2      CYS   8  17.058  -9.758 -15.043
   75    HB3  CYS   8           HB3      CYS   8  18.646  -9.633 -14.297
   76    H    LYS   9           H        LYS   9  18.859 -13.106 -14.261
   77    HA   LYS   9           HA       LYS   9  19.783 -14.262 -11.861
   78    HB2  LYS   9           HB2      LYS   9  21.161 -14.086 -14.588
   79    HB3  LYS   9           HB3      LYS   9  21.707 -15.107 -13.253
   80    HG2  LYS   9           HG2      LYS   9  19.572 -16.336 -13.265
   81    HG3  LYS   9           HG3      LYS   9  18.999 -15.352 -14.628
   82    HD2  LYS   9           HD2      LYS   9  20.913 -16.148 -16.005
   83    HD3  LYS   9           HD3      LYS   9  21.466 -17.156 -14.648
   84    HE2  LYS   9           HE2      LYS   9  19.325 -18.417 -14.703
   85    HE3  LYS   9           HE3      LYS   9  18.761 -17.411 -16.051
   86    HZ1  LYS   9           HZ1      LYS   9  19.677 -19.520 -16.832
   87    HZ2  LYS   9           HZ2      LYS   9  20.606 -18.299 -17.386
   88    HZ3  LYS   9           HZ3      LYS   9  21.121 -19.225 -16.135
   89    H    ARG  10           H        ARG  10  21.227 -11.557 -13.739
   90    HA   ARG  10           HA       ARG  10  22.912 -10.916 -11.338
   91    HB2  ARG  10           HB2      ARG  10  23.298 -10.232 -14.289
   92    HB3  ARG  10           HB3      ARG  10  24.154  -9.427 -12.973
   93    HG2  ARG  10           HG2      ARG  10  25.101 -11.620 -12.248
   94    HG3  ARG  10           HG3      ARG  10  24.268 -12.413 -13.595
   95    HD2  ARG  10           HD2      ARG  10  26.639 -11.961 -14.137
   96    HD3  ARG  10           HD3      ARG  10  25.529 -11.096 -15.214
   97    HE   ARG  10           HE       ARG  10  26.454  -9.627 -12.828
   98   HH11  ARG  10          HH11      ARG  10  27.293 -10.303 -16.227
   99   HH12  ARG  10          HH12      ARG  10  27.904  -8.705 -16.522
  100   HH21  ARG  10          HH21      ARG  10  27.121  -7.464 -13.315
  101   HH22  ARG  10          HH22      ARG  10  27.834  -7.102 -14.851
  102    H    ASN  11           H        ASN  11  22.572  -8.962 -10.369
  103    HA   ASN  11           HA       ASN  11  20.354  -7.263 -10.694
  104    HB2  ASN  11           HB2      ASN  11  21.903  -7.213  -8.779
  105    HB3  ASN  11           HB3      ASN  11  23.172  -6.546  -9.817
  106   HD21  ASN  11          HD22      ASN  11  23.018  -4.300 -10.551
  107   HD22  ASN  11          HD21      ASN  11  21.815  -3.245  -9.846
  108    H    SER  12           H        SER  12  23.516  -7.158 -12.354
  109    HA   SER  12           HA       SER  12  23.295  -4.609 -13.392
  110    HB2  SER  12           HB2      SER  12  24.888  -6.892 -14.603
  111    HB3  SER  12           HB3      SER  12  25.378  -5.193 -14.447
  112    HG   SER  12           HG       SER  12  25.561  -5.509 -12.189
  113    H    SER  13           H        SER  13  21.591  -7.377 -14.576
  114    HA   SER  13           HA       SER  13  21.415  -6.214 -17.315
  115    HB2  SER  13           HB2      SER  13  21.535  -9.111 -16.362
  116    HB3  SER  13           HB3      SER  13  21.330  -8.608 -18.048
  117    HG   SER  13           HG       SER  13  23.318  -7.463 -17.865
  118    H    ARG  14           H        ARG  14  19.390  -6.063 -18.227
  119    HA   ARG  14           HA       ARG  14  17.182  -5.743 -18.381
  120    HB2  ARG  14           HB2      ARG  14  16.981  -8.393 -16.892
  121    HB3  ARG  14           HB3      ARG  14  15.624  -7.517 -17.591
  122    HG2  ARG  14           HG2      ARG  14  16.074  -9.074 -19.128
  123    HG3  ARG  14           HG3      ARG  14  16.793  -7.632 -19.829
  124    HD2  ARG  14           HD2      ARG  14  18.973  -8.486 -19.622
  125    HD3  ARG  14           HD3      ARG  14  18.556  -9.506 -18.228
  126    HE   ARG  14           HE       ARG  14  16.981 -10.349 -20.380
  127   HH11  ARG  14          HH12      ARG  14  20.427 -10.599 -19.470
  128   HH12  ARG  14          HH11      ARG  14  20.724 -11.947 -20.499
  129   HH21  ARG  14          HH21      ARG  14  17.390 -12.097 -21.742
  130   HH22  ARG  14          HH22      ARG  14  18.945 -12.846 -21.792
  131    H    SER  15           H        SER  15  17.462  -6.839 -14.941
  132    HA   SER  15           HA       SER  15  15.682  -5.119 -13.696
  133    HB2  SER  15           HB2      SER  15  18.322  -5.458 -12.355
  134    HB3  SER  15           HB3      SER  15  16.695  -5.830 -11.792
  135    HG   SER  15           HG       SER  15  18.525  -7.438 -13.184
  136    H    GLN  16           H        GLN  16  18.945  -4.465 -14.837
  137    HA   GLN  16           HA       GLN  16  19.848  -2.092 -14.431
  138    HB2  GLN  16           HB2      GLN  16  20.365  -3.832 -16.276
  139    HB3  GLN  16           HB3      GLN  16  19.202  -2.984 -17.288
  140    HG2  GLN  16           HG2      GLN  16  20.599  -0.883 -16.900
  141    HG3  GLN  16           HG3      GLN  16  21.799  -1.928 -16.114
  142   HE21  GLN  16          HE22      GLN  16  22.882  -3.621 -17.487
  143   HE22  GLN  16          HE21      GLN  16  22.944  -3.382 -19.224
  144    H    MET  17           H        MET  17  17.106  -2.309 -16.875
  145    HA   MET  17           HA       MET  17  16.591   0.515 -16.232
  146    HB2  MET  17           HB2      MET  17  16.231  -1.143 -18.668
  147    HB3  MET  17           HB3      MET  17  14.833  -0.129 -18.328
  148    HG2  MET  17           HG2      MET  17  17.518   1.128 -18.181
  149    HG3  MET  17           HG3      MET  17  16.846   0.721 -19.767
  150    HE1  MET  17           HE1      MET  17  16.810   3.149 -16.730
  151    HE2  MET  17           HE2      MET  17  15.400   4.165 -17.053
  152    HE3  MET  17           HE3      MET  17  15.166   2.515 -16.431
  153    H    ALA  18           H        ALA  18  15.138  -2.625 -15.952
  154    HA   ALA  18           HA       ALA  18  12.435  -1.824 -15.900
  155    HB1  ALA  18           HB1      ALA  18  11.964  -4.001 -14.929
  156    HB2  ALA  18           HB2      ALA  18  13.235  -4.172 -16.157
  157    HB3  ALA  18           HB3      ALA  18  13.665  -4.167 -14.422
  158    H    GLU  19           H        GLU  19  14.616  -2.218 -13.034
  159    HA   GLU  19           HA       GLU  19  12.524  -1.258 -11.252
  160    HB2  GLU  19           HB2      GLU  19  14.084  -1.439  -9.554
  161    HB3  GLU  19           HB3      GLU  19  14.531  -2.691 -10.693
  162    HG2  GLU  19           HG2      GLU  19  16.516  -1.798  -9.977
  163    HG3  GLU  19           HG3      GLU  19  16.312  -1.118 -11.593
  164    H    GLY  20           H        GLY  20  14.980   0.215 -13.249
  165    HA2  GLY  20           HA2      GLY  20  15.145   2.833 -12.300
  166    HA3  GLY  20           HA3      GLY  20  15.299   2.322 -13.986
  167    H    PHE  21           H        PHE  21  12.961   1.548 -14.900
  168    HA   PHE  21           HA       PHE  21  11.449   3.989 -14.946
  169    HB2  PHE  21           HB2      PHE  21  11.071   1.215 -16.085
  170    HB3  PHE  21           HB3      PHE  21   9.704   2.320 -16.071
  171    HD1  PHE  21           HD1      PHE  21  10.427   4.918 -16.682
  172    HD2  PHE  21           HD2      PHE  21  12.277   1.260 -18.060
  173    HE1  PHE  21           HE1      PHE  21  11.216   6.069 -18.759
  174    HE2  PHE  21           HE2      PHE  21  13.051   2.395 -20.102
  175    HZ   PHE  21           HZ       PHE  21  12.502   4.808 -20.475
  176    H    ALA  22           H        ALA  22  11.056   0.982 -13.057
  177    HA   ALA  22           HA       ALA  22   8.361   1.573 -12.427
  178    HB1  ALA  22           HB1      ALA  22   8.662  -0.087 -10.608
  179    HB2  ALA  22           HB2      ALA  22   9.423  -0.624 -12.137
  180    HB3  ALA  22           HB3      ALA  22  10.435   0.002 -10.822
  181    H    LYS  23           H        LYS  23  11.387   2.720 -10.821
  182    HA   LYS  23           HA       LYS  23   9.877   4.002  -8.708
  183    HB2  LYS  23           HB2      LYS  23  11.860   5.002  -8.000
  184    HB3  LYS  23           HB3      LYS  23  12.351   3.448  -8.635
  185    HG2  LYS  23           HG2      LYS  23  12.529   5.479 -10.746
  186    HG3  LYS  23           HG3      LYS  23  13.283   6.097  -9.299
  187    HD2  LYS  23           HD2      LYS  23  13.946   3.447 -10.616
  188    HD3  LYS  23           HD3      LYS  23  14.804   4.956 -10.915
  189    HE2  LYS  23           HE2      LYS  23  15.219   4.965  -8.334
  190    HE3  LYS  23           HE3      LYS  23  14.645   3.281  -8.371
  191    HZ1  LYS  23           HZ1      LYS  23  17.078   3.486  -8.514
  192    HZ2  LYS  23           HZ2      LYS  23  16.465   2.701  -9.815
  193    HZ3  LYS  23           HZ3      LYS  23  16.971   4.267  -9.959
  194    H    THR  24           H        THR  24  10.412   4.917 -12.045
  195    HA   THR  24           HA       THR  24   9.716   7.686 -11.679
  196    HB   THR  24           HB       THR  24  10.545   5.864 -13.897
  197    HG1  THR  24           HG1      THR  24  12.082   6.926 -12.586
  198   HG21  THR  24          HG21      THR  24   9.337   8.609 -14.299
  199   HG22  THR  24          HG22      THR  24  10.385   7.778 -15.478
  200   HG23  THR  24          HG23      THR  24   8.840   7.052 -15.022
  201    H    LEU  25           H        LEU  25   8.201   4.879 -13.249
  202    HA   LEU  25           HA       LEU  25   5.759   6.292 -13.871
  203    HB2  LEU  25           HB2      LEU  25   6.533   3.351 -13.874
  204    HB3  LEU  25           HB3      LEU  25   5.036   3.963 -14.595
  205    HG   LEU  25           HG       LEU  25   7.846   4.751 -15.485
  206   HD11  LEU  25          HD11      LEU  25   7.519   2.376 -15.803
  207   HD12  LEU  25          HD12      LEU  25   5.943   2.629 -16.551
  208   HD13  LEU  25          HD13      LEU  25   7.426   3.171 -17.379
  209   HD21  LEU  25          HD21      LEU  25   5.120   5.154 -16.805
  210   HD22  LEU  25          HD22      LEU  25   6.164   6.424 -16.127
  211   HD23  LEU  25          HD23      LEU  25   6.694   5.517 -17.548
  212    H    GLY  26           H        GLY  26   6.820   4.083 -11.288
  213    HA2  GLY  26           HA2      GLY  26   4.128   3.784 -10.164
  214    HA3  GLY  26           HA3      GLY  26   5.642   2.982  -9.688
  215    H    ALA  27           H        ALA  27   6.213   6.307 -10.002
  216    HA   ALA  27           HA       ALA  27   7.030   6.689  -7.386
  217    HB1  ALA  27           HB1      ALA  27   7.660   8.136  -9.324
  218    HB2  ALA  27           HB2      ALA  27   6.014   8.798  -9.353
  219    HB3  ALA  27           HB3      ALA  27   7.063   9.090  -7.952
  220    H    GLY  28           H        GLY  28   5.974   6.948  -5.487
  221    HA2  GLY  28           HA2      GLY  28   4.411   7.580  -3.946
  222    HA3  GLY  28           HA3      GLY  28   3.544   8.466  -5.201
  223    H    LYS  29           H        LYS  29   3.831   5.291  -6.333
  224    HA   LYS  29           HA       LYS  29   1.184   4.504  -5.146
  225    HB2  LYS  29           HB2      LYS  29   2.370   3.670  -7.830
  226    HB3  LYS  29           HB3      LYS  29   0.772   3.249  -7.195
  227    HG2  LYS  29           HG2      LYS  29   0.129   5.651  -7.229
  228    HG3  LYS  29           HG3      LYS  29   1.713   6.058  -7.919
  229    HD2  LYS  29           HD2      LYS  29   1.229   4.522  -9.847
  230    HD3  LYS  29           HD3      LYS  29  -0.407   4.287  -9.223
  231    HE2  LYS  29           HE2      LYS  29   0.825   6.971 -10.024
  232    HE3  LYS  29           HE3      LYS  29  -0.204   5.983 -11.065
  233    HZ1  LYS  29           HZ1      LYS  29  -1.481   7.713 -10.005
  234    HZ2  LYS  29           HZ2      LYS  29  -2.017   6.276  -9.461
  235    HZ3  LYS  29           HZ3      LYS  29  -1.070   7.225  -8.507
  236    H    ILE  30           H        ILE  30   4.425   3.297  -6.131
  237    HA   ILE  30           HA       ILE  30   4.008   0.890  -4.446
  238    HB   ILE  30           HB       ILE  30   4.661  -0.571  -6.283
  239   HG12  ILE  30          HG12      ILE  30   4.606   1.939  -8.003
  240   HG13  ILE  30          HG13      ILE  30   6.023   0.963  -7.640
  241   HG21  ILE  30          HG21      ILE  30   2.227   0.053  -5.847
  242   HG22  ILE  30          HG22      ILE  30   2.327   1.094  -7.277
  243   HG23  ILE  30          HG23      ILE  30   2.591  -0.650  -7.425
  244   HD11  ILE  30          HD11      ILE  30   5.352   0.416  -9.867
  245   HD12  ILE  30          HD12      ILE  30   4.863  -0.969  -8.882
  246   HD13  ILE  30          HD13      ILE  30   3.647   0.203  -9.418
  247    H    ALA  31           H        ALA  31   5.980  -0.244  -3.911
  248    HA   ALA  31           HA       ALA  31   8.280   1.663  -3.640
  249    HB1  ALA  31           HB1      ALA  31   7.183   1.144  -1.498
  250    HB2  ALA  31           HB2      ALA  31   7.362  -0.605  -1.813
  251    HB3  ALA  31           HB3      ALA  31   8.795   0.392  -1.584
  252    H    VAL  32           H        VAL  32   9.699   1.050  -5.294
  253    HA   VAL  32           HA       VAL  32  10.103  -1.791  -5.969
  254    HB   VAL  32           HB       VAL  32  11.627   0.709  -6.845
  255   HG11  VAL  32          HG11      VAL  32  11.990  -0.649  -8.916
  256   HG12  VAL  32          HG12      VAL  32  12.764  -1.319  -7.474
  257   HG13  VAL  32          HG13      VAL  32  11.253  -2.050  -8.082
  258   HG21  VAL  32          HG21      VAL  32   9.146  -0.475  -8.178
  259   HG22  VAL  32          HG22      VAL  32   9.199   1.083  -7.326
  260   HG23  VAL  32          HG23      VAL  32  10.163   0.874  -8.758
  261    H    THR  33           H        THR  33  11.597  -3.112  -5.180
  262    HA   THR  33           HA       THR  33  14.107  -2.047  -4.094
  263    HB   THR  33           HB       THR  33  12.610  -4.406  -2.942
  264    HG1  THR  33           HG1      THR  33  12.495  -1.736  -1.978
  265   HG21  THR  33          HG21      THR  33  14.911  -2.727  -1.829
  266   HG22  THR  33          HG22      THR  33  14.129  -4.076  -0.978
  267   HG23  THR  33          HG23      THR  33  15.019  -4.385  -2.475
  268    H    SER  34           H        SER  34  15.514  -2.875  -5.679
  269    HA   SER  34           HA       SER  34  14.908  -5.620  -6.709
  270    HB2  SER  34           HB2      SER  34  16.074  -3.245  -8.155
  271    HB3  SER  34           HB3      SER  34  16.042  -4.906  -8.785
  272    HG   SER  34           HG       SER  34  13.799  -3.306  -7.950
  273    H    SER  35           H        SER  35  15.915  -6.695  -5.169
  274    HA   SER  35           HA       SER  35  18.306  -6.036  -3.867
  275    HB2  SER  35           HB2      SER  35  18.059  -8.536  -3.216
  276    HB3  SER  35           HB3      SER  35  16.746  -7.416  -2.793
  277    HG   SER  35           HG       SER  35  15.680  -9.046  -3.810
  278    H    GLY  36           H        GLY  36  17.824  -8.788  -6.085
  279    HA2  GLY  36           HA2      GLY  36  19.349  -9.131  -8.036
  280    HA3  GLY  36           HA3      GLY  36  20.679  -8.556  -7.027
  281    H    LEU  37           H        LEU  37  19.896 -11.270  -8.294
  282    HA   LEU  37           HA       LEU  37  19.953 -13.090  -6.032
  283    HB2  LEU  37           HB2      LEU  37  20.094 -13.338  -9.031
  284    HB3  LEU  37           HB3      LEU  37  20.393 -14.733  -8.008
  285    HG   LEU  37           HG       LEU  37  17.841 -13.140  -7.639
  286   HD11  LEU  37          HD11      LEU  37  16.745 -14.500  -9.394
  287   HD12  LEU  37          HD12      LEU  37  18.052 -13.562 -10.083
  288   HD13  LEU  37          HD13      LEU  37  18.296 -15.295  -9.771
  289   HD21  LEU  37          HD21      LEU  37  18.519 -15.099  -6.102
  290   HD22  LEU  37          HD22      LEU  37  16.934 -15.293  -6.895
  291   HD23  LEU  37          HD23      LEU  37  18.370 -16.155  -7.498
  292    H    GLU  38           H        GLU  38  22.027 -11.712  -8.522
  293    HA   GLU  38           HA       GLU  38  24.444 -12.082  -6.949
  294    HB2  GLU  38           HB2      GLU  38  23.998 -12.990  -9.829
  295    HB3  GLU  38           HB3      GLU  38  25.599 -12.525  -9.256
  296    HG2  GLU  38           HG2      GLU  38  25.447 -14.173  -7.436
  297    HG3  GLU  38           HG3      GLU  38  23.894 -14.740  -8.085
  298    H    SER  39           H        SER  39  26.155 -10.635  -7.970
  299    HA   SER  39           HA       SER  39  26.876  -8.575  -8.458
  300    HB2  SER  39           HB2      SER  39  24.514  -8.407 -10.344
  301    HB3  SER  39           HB3      SER  39  26.007  -7.456 -10.444
  302    HG   SER  39           HG       SER  39  27.044  -9.671 -10.584
  303    H    SER  40           H        SER  40  25.565  -6.122  -8.999
  304    HA   SER  40           HA       SER  40  24.149  -5.513  -6.513
  305    HB2  SER  40           HB2      SER  40  26.190  -4.356  -5.530
  306    HB3  SER  40           HB3      SER  40  26.340  -6.139  -5.665
  307    HG   SER  40           HG       SER  40  28.241  -5.108  -6.381
  308    H    ARG  41           H        ARG  41  26.486  -4.206  -8.849
  309    HA   ARG  41           HA       ARG  41  24.772  -1.809  -9.260
  310    HB2  ARG  41           HB2      ARG  41  27.589  -2.113  -8.740
  311    HB3  ARG  41           HB3      ARG  41  27.475  -1.561 -10.400
  312    HG2  ARG  41           HG2      ARG  41  25.870   0.257  -9.579
  313    HG3  ARG  41           HG3      ARG  41  26.221  -0.299  -7.929
  314    HD2  ARG  41           HD2      ARG  41  27.640   1.534  -8.214
  315    HD3  ARG  41           HD3      ARG  41  28.709   0.163  -8.484
  316    HE   ARG  41           HE       ARG  41  27.488   1.995 -10.514
  317   HH11  ARG  41          HH21      ARG  41  30.032  -0.395  -9.790
  318   HH12  ARG  41          HH22      ARG  41  30.941  -0.074 -11.223
  319   HH21  ARG  41          HH11      ARG  41  28.721   2.443 -12.399
  320   HH22  ARG  41          HH12      ARG  41  30.166   1.567 -12.741
  321    H    VAL  42           H        VAL  42  25.828  -1.023 -11.759
  322    HA   VAL  42           HA       VAL  42  24.644  -3.063 -13.542
  323    HB   VAL  42           HB       VAL  42  23.429  -1.210 -14.573
  324   HG11  VAL  42          HG11      VAL  42  21.706  -0.861 -12.932
  325   HG12  VAL  42          HG12      VAL  42  22.303  -2.522 -12.757
  326   HG13  VAL  42          HG13      VAL  42  22.797  -1.259 -11.595
  327   HG21  VAL  42          HG21      VAL  42  24.875   0.675 -14.009
  328   HG22  VAL  42          HG22      VAL  42  23.226   0.988 -13.438
  329   HG23  VAL  42          HG23      VAL  42  24.481   0.508 -12.283
  330    H    HIS  43           H        HIS  43  25.069  -2.455 -15.894
  331    HA   HIS  43           HA       HIS  43  27.906  -2.115 -16.243
  332    HB2  HIS  43           HB2      HIS  43  25.601  -2.435 -18.209
  333    HB3  HIS  43           HB3      HIS  43  27.311  -2.489 -18.636
  334    HD1  HIS  43           HD1      HIS  43  24.790  -5.057 -18.173
  335    HD2  HIS  43           HD2      HIS  43  28.659  -4.337 -16.632
  336    HE1  HIS  43           HE1      HIS  43  25.611  -7.234 -17.268
  337    HA   PRO  44           HA       PRO  44  28.287   2.149 -16.316
  338    HB2  PRO  44           HB2      PRO  44  30.133   2.732 -18.312
  339    HB3  PRO  44           HB3      PRO  44  30.533   1.974 -16.734
  340    HG2  PRO  44           HG2      PRO  44  30.001   0.591 -19.392
  341    HG3  PRO  44           HG3      PRO  44  31.365   0.322 -18.254
  342    HD2  PRO  44           HD2      PRO  44  29.236  -1.312 -18.233
  343    HD3  PRO  44           HD3      PRO  44  29.936  -0.754 -16.678
  344    H    THR  45           H        THR  45  28.101   1.289 -19.854
  345    HA   THR  45           HA       THR  45  27.159   3.800 -20.622
  346    HB   THR  45           HB       THR  45  26.621   1.185 -21.962
  347    HG1  THR  45           HG1      THR  45  28.679   1.414 -22.870
  348   HG21  THR  45          HG21      THR  45  25.473   3.018 -23.123
  349   HG22  THR  45          HG22      THR  45  26.967   3.984 -23.126
  350   HG23  THR  45          HG23      THR  45  26.853   2.491 -24.089
  351    H    ALA  46           H        ALA  46  25.411   1.176 -19.076
  352    HA   ALA  46           HA       ALA  46  22.768   1.831 -19.806
  353    HB1  ALA  46           HB1      ALA  46  23.605  -0.155 -18.308
  354    HB2  ALA  46           HB2      ALA  46  23.581   1.013 -16.952
  355    HB3  ALA  46           HB3      ALA  46  22.097   0.663 -17.829
  356    H    ILE  47           H        ILE  47  24.765   3.053 -17.103
  357    HA   ILE  47           HA       ILE  47  22.656   4.618 -16.007
  358    HB   ILE  47           HB       ILE  47  25.712   4.810 -15.794
  359   HG12  ILE  47          HG12      ILE  47  23.770   3.881 -13.649
  360   HG13  ILE  47          HG13      ILE  47  24.333   2.769 -14.885
  361   HG21  ILE  47          HG21      ILE  47  23.633   6.309 -14.119
  362   HG22  ILE  47          HG22      ILE  47  25.362   6.219 -13.737
  363   HG23  ILE  47          HG23      ILE  47  24.833   7.035 -15.204
  364   HD11  ILE  47          HD11      ILE  47  25.658   2.613 -12.800
  365   HD12  ILE  47          HD12      ILE  47  26.655   3.044 -14.210
  366   HD13  ILE  47          HD13      ILE  47  26.200   4.282 -13.017
  367    H    ALA  48           H        ALA  48  25.142   5.404 -18.462
  368    HA   ALA  48           HA       ALA  48  24.485   8.153 -18.620
  369    HB1  ALA  48           HB1      ALA  48  25.602   6.294 -20.789
  370    HB2  ALA  48           HB2      ALA  48  25.600   8.068 -20.850
  371    HB3  ALA  48           HB3      ALA  48  26.551   7.233 -19.610
  372    H    MET  49           H        MET  49  23.188   5.334 -20.481
  373    HA   MET  49           HA       MET  49  21.425   6.919 -22.123
  374    HB2  MET  49           HB2      MET  49  21.401   3.975 -21.282
  375    HB3  MET  49           HB3      MET  49  20.323   4.660 -22.501
  376    HG2  MET  49           HG2      MET  49  23.370   4.718 -22.639
  377    HG3  MET  49           HG3      MET  49  22.355   3.570 -23.469
  378    HE1  MET  49           HE1      MET  49  24.007   6.920 -23.495
  379    HE2  MET  49           HE2      MET  49  24.603   5.631 -24.576
  380    HE3  MET  49           HE3      MET  49  23.975   7.150 -25.263
  381    H    MET  50           H        MET  50  21.123   5.382 -18.950
  382    HA   MET  50           HA       MET  50  18.252   5.694 -18.900
  383    HB2  MET  50           HB2      MET  50  20.140   4.963 -16.658
  384    HB3  MET  50           HB3      MET  50  18.391   4.825 -16.640
  385    HG2  MET  50           HG2      MET  50  20.385   2.975 -17.666
  386    HG3  MET  50           HG3      MET  50  18.740   2.683 -17.260
  387    HE1  MET  50           HE1      MET  50  19.196   0.589 -19.164
  388    HE2  MET  50           HE2      MET  50  19.368   0.959 -20.895
  389    HE3  MET  50           HE3      MET  50  20.706   1.265 -19.779
  390    H    GLU  51           H        GLU  51  21.092   7.556 -17.824
  391    HA   GLU  51           HA       GLU  51  19.570   9.571 -16.507
  392    HB2  GLU  51           HB2      GLU  51  21.933   9.134 -16.011
  393    HB3  GLU  51           HB3      GLU  51  22.386   9.620 -17.654
  394    HG2  GLU  51           HG2      GLU  51  21.650  11.907 -17.216
  395    HG3  GLU  51           HG3      GLU  51  20.991  11.436 -15.645
  396    H    GLU  52           H        GLU  52  20.204   8.806 -19.893
  397    HA   GLU  52           HA       GLU  52  19.534  11.446 -20.811
  398    HB2  GLU  52           HB2      GLU  52  19.518   8.819 -22.319
  399    HB3  GLU  52           HB3      GLU  52  18.982  10.323 -23.020
  400    HG2  GLU  52           HG2      GLU  52  21.742   9.980 -21.805
  401    HG3  GLU  52           HG3      GLU  52  21.375   9.669 -23.495
  402    H    VAL  53           H        VAL  53  17.665   8.620 -19.803
  403    HA   VAL  53           HA       VAL  53  15.180  10.198 -20.305
  404    HB   VAL  53           HB       VAL  53  15.194   7.898 -21.003
  405   HG11  VAL  53          HG11      VAL  53  14.776   6.075 -19.288
  406   HG12  VAL  53          HG12      VAL  53  16.425   6.711 -19.338
  407   HG13  VAL  53          HG13      VAL  53  15.319   7.213 -18.044
  408   HG21  VAL  53          HG21      VAL  53  12.975   7.346 -20.400
  409   HG22  VAL  53          HG22      VAL  53  13.044   8.309 -18.915
  410   HG23  VAL  53          HG23      VAL  53  13.080   9.108 -20.503
  411    H    GLY  54           H        GLY  54  17.469  10.569 -18.144
  412    HA2  GLY  54           HA2      GLY  54  17.507  11.821 -16.260
  413    HA3  GLY  54           HA3      GLY  54  15.746  11.954 -16.324
  414    H    ILE  55           H        ILE  55  17.123   8.713 -16.255
  415    HA   ILE  55           HA       ILE  55  16.179   8.377 -13.440
  416    HB   ILE  55           HB       ILE  55  16.272   6.427 -15.689
  417   HG12  ILE  55          HG12      ILE  55  13.985   7.904 -14.346
  418   HG13  ILE  55          HG13      ILE  55  14.431   7.954 -16.045
  419   HG21  ILE  55          HG21      ILE  55  15.128   6.004 -12.904
  420   HG22  ILE  55          HG22      ILE  55  15.256   4.804 -14.217
  421   HG23  ILE  55          HG23      ILE  55  16.704   5.371 -13.432
  422   HD11  ILE  55          HD11      ILE  55  12.463   6.617 -15.861
  423   HD12  ILE  55          HD12      ILE  55  13.793   5.506 -16.219
  424   HD13  ILE  55          HD13      ILE  55  13.160   5.642 -14.554
  425    H    ASP  56           H        ASP  56  17.648   7.595 -11.925
  426    HA   ASP  56           HA       ASP  56  20.287   6.665 -12.958
  427    HB2  ASP  56           HB2      ASP  56  20.507   8.478 -11.346
  428    HB3  ASP  56           HB3      ASP  56  19.575   7.543 -10.161
  429    H    ILE  57           H        ILE  57  21.005   4.707 -12.375
  430    HA   ILE  57           HA       ILE  57  19.104   2.709 -11.244
  431    HB   ILE  57           HB       ILE  57  19.642   1.191 -13.121
  432   HG12  ILE  57          HG12      ILE  57  20.597   3.587 -14.732
  433   HG13  ILE  57          HG13      ILE  57  21.754   2.684 -13.768
  434   HG21  ILE  57          HG21      ILE  57  17.549   2.522 -13.066
  435   HG22  ILE  57          HG22      ILE  57  18.324   3.807 -14.024
  436   HG23  ILE  57          HG23      ILE  57  18.063   2.204 -14.725
  437   HD11  ILE  57          HD11      ILE  57  21.246   0.613 -14.928
  438   HD12  ILE  57          HD12      ILE  57  19.983   1.418 -15.876
  439   HD13  ILE  57          HD13      ILE  57  21.679   1.919 -16.055
  440    H    SER  58           H        SER  58  22.357   3.881 -11.647
  441    HA   SER  58           HA       SER  58  23.873   1.774 -10.602
  442    HB2  SER  58           HB2      SER  58  24.490   4.242 -11.368
  443    HB3  SER  58           HB3      SER  58  24.320   4.597  -9.646
  444    HG   SER  58           HG       SER  58  26.420   3.963  -9.986
  445    H    GLY  59           H        GLY  59  24.765   1.745  -8.273
  446    HA2  GLY  59           HA2      GLY  59  24.396   1.231  -6.062
  447    HA3  GLY  59           HA3      GLY  59  23.512   2.769  -6.034
  448    H    GLN  60           H        GLN  60  22.515  -0.072  -7.952
  449    HA   GLN  60           HA       GLN  60  19.864   0.250  -7.214
  450    HB2  GLN  60           HB2      GLN  60  21.253  -1.103  -9.173
  451    HB3  GLN  60           HB3      GLN  60  20.705  -2.461  -8.155
  452    HG2  GLN  60           HG2      GLN  60  18.386  -1.710  -8.377
  453    HG3  GLN  60           HG3      GLN  60  18.931  -0.252  -9.232
  454   HE21  GLN  60          HE22      GLN  60  19.829  -0.430 -11.368
  455   HE22  GLN  60          HE21      GLN  60  19.349  -1.803 -12.371
  456    H    THR  61           H        THR  61  22.249  -2.013  -5.902
  457    HA   THR  61           HA       THR  61  20.232  -3.667  -4.772
  458    HB   THR  61           HB       THR  61  22.364  -4.536  -5.602
  459    HG1  THR  61           HG1      THR  61  21.367  -5.948  -4.381
  460   HG21  THR  61          HG21      THR  61  23.569  -3.335  -3.059
  461   HG22  THR  61          HG22      THR  61  24.352  -4.531  -4.087
  462   HG23  THR  61          HG23      THR  61  23.999  -2.918  -4.732
  463    H    SER  62           H        SER  62  20.828  -4.385  -2.381
  464    HA   SER  62           HA       SER  62  20.878  -2.155  -0.461
  465    HB2  SER  62           HB2      SER  62  18.500  -2.713   0.247
  466    HB3  SER  62           HB3      SER  62  18.676  -1.881  -1.319
  467    HG   SER  62           HG       SER  62  17.205  -3.597  -1.499
  468    H    ASP  63           H        ASP  63  19.694  -5.485  -0.964
  469    HA   ASP  63           HA       ASP  63  21.810  -6.662   0.653
  470    HB2  ASP  63           HB2      ASP  63  19.040  -6.420   1.662
  471    HB3  ASP  63           HB3      ASP  63  19.494  -8.101   1.428
  472    HA   PRO  64           HA       PRO  64  21.075  -9.650  -2.682
  473    HB2  PRO  64           HB2      PRO  64  21.546 -11.818  -0.643
  474    HB3  PRO  64           HB3      PRO  64  22.306 -11.603  -2.247
  475    HG2  PRO  64           HG2      PRO  64  23.672 -11.000   0.031
  476    HG3  PRO  64           HG3      PRO  64  23.787  -9.926  -1.403
  477    HD2  PRO  64           HD2      PRO  64  22.031  -9.596   1.051
  478    HD3  PRO  64           HD3      PRO  64  23.072  -8.384   0.240
  479    H    ILE  65           H        ILE  65  19.275 -10.945  -3.350
  480    HA   ILE  65           HA       ILE  65  16.866 -10.398  -2.139
  481    HB   ILE  65           HB       ILE  65  17.258 -11.082  -4.469
  482   HG12  ILE  65          HG12      ILE  65  15.140 -12.817  -3.164
  483   HG13  ILE  65          HG13      ILE  65  14.976 -11.076  -3.409
  484   HG21  ILE  65          HG21      ILE  65  18.759 -13.053  -4.029
  485   HG22  ILE  65          HG22      ILE  65  17.313 -13.976  -3.542
  486   HG23  ILE  65          HG23      ILE  65  17.462 -13.329  -5.188
  487   HD11  ILE  65          HD11      ILE  65  15.220 -13.202  -5.583
  488   HD12  ILE  65          HD12      ILE  65  13.808 -12.217  -5.189
  489   HD13  ILE  65          HD13      ILE  65  15.248 -11.442  -5.876
  490    H    GLU  66           H        GLU  66  19.002 -13.064  -1.377
  491    HA   GLU  66           HA       GLU  66  17.091 -14.823  -0.316
  492    HB2  GLU  66           HB2      GLU  66  19.932 -14.658   0.760
  493    HB3  GLU  66           HB3      GLU  66  18.941 -16.098   0.499
  494    HG2  GLU  66           HG2      GLU  66  19.156 -15.639  -2.002
  495    HG3  GLU  66           HG3      GLU  66  20.292 -14.341  -1.578
  496    H    ASN  67           H        ASN  67  18.732 -12.069   1.022
  497    HA   ASN  67           HA       ASN  67  18.180 -12.666   3.801
  498    HB2  ASN  67           HB2      ASN  67  19.295 -10.215   2.403
  499    HB3  ASN  67           HB3      ASN  67  18.998 -10.258   4.131
  500   HD21  ASN  67          HD22      ASN  67  21.572  -9.747   3.389
  501   HD22  ASN  67          HD21      ASN  67  22.572 -11.151   3.731
  502    H    PHE  68           H        PHE  68  16.137 -11.594   1.347
  503    HA   PHE  68           HA       PHE  68  14.441  -9.918   3.131
  504    HB2  PHE  68           HB2      PHE  68  14.450 -10.455   0.139
  505    HB3  PHE  68           HB3      PHE  68  13.102  -9.701   0.958
  506    HD1  PHE  68           HD1      PHE  68  13.265  -7.559   2.039
  507    HD2  PHE  68           HD2      PHE  68  16.522  -9.216  -0.222
  508    HE1  PHE  68           HE1      PHE  68  14.300  -5.276   1.867
  509    HE2  PHE  68           HE2      PHE  68  17.554  -6.943  -0.419
  510    HZ   PHE  68           HZ       PHE  68  16.447  -4.985   0.630
  511    H    ASN  69           H        ASN  69  12.088 -10.377   3.102
  512    HA   ASN  69           HA       ASN  69  11.534 -13.222   2.868
  513    HB2  ASN  69           HB2      ASN  69  10.918 -12.020   5.072
  514    HB3  ASN  69           HB3      ASN  69   9.662 -11.210   4.085
  515   HD21  ASN  69          HD22      ASN  69   9.016 -12.859   6.344
  516   HD22  ASN  69          HD21      ASN  69   8.157 -14.250   5.726
  517    H    ALA  70           H        ALA  70  10.019 -13.838   1.267
  518    HA   ALA  70           HA       ALA  70   9.648 -11.803  -0.730
  519    HB1  ALA  70           HB1      ALA  70   8.681 -14.687  -0.788
  520    HB2  ALA  70           HB2      ALA  70   8.971 -13.607  -2.176
  521    HB3  ALA  70           HB3      ALA  70  10.334 -14.232  -1.241
  522    H    ASP  71           H        ASP  71   7.970 -13.425   1.839
  523    HA   ASP  71           HA       ASP  71   5.365 -13.095   0.898
  524    HB2  ASP  71           HB2      ASP  71   5.999 -14.570   2.798
  525    HB3  ASP  71           HB3      ASP  71   6.433 -13.145   3.756
  526    H    ASP  72           H        ASP  72   7.629 -10.751   2.153
  527    HA   ASP  72           HA       ASP  72   5.720  -8.862   3.164
  528    HB2  ASP  72           HB2      ASP  72   8.137  -9.057   3.869
  529    HB3  ASP  72           HB3      ASP  72   8.572  -8.440   2.265
  530    H    TYR  73           H        TYR  73   7.023  -9.688   0.060
  531    HA   TYR  73           HA       TYR  73   6.476  -7.124  -1.155
  532    HB2  TYR  73           HB2      TYR  73   7.820  -9.637  -2.148
  533    HB3  TYR  73           HB3      TYR  73   7.304  -8.376  -3.266
  534    HD1  TYR  73           HD1      TYR  73   9.350  -8.908  -0.154
  535    HD2  TYR  73           HD2      TYR  73   8.590  -6.405  -3.586
  536    HE1  TYR  73           HE1      TYR  73  11.053  -7.313   0.646
  537    HE2  TYR  73           HE2      TYR  73  10.304  -4.806  -2.805
  538    HH   TYR  73           HH       TYR  73  11.702  -4.193  -1.011
  539    H    ASP  74           H        ASP  74   5.065  -6.713  -2.872
  540    HA   ASP  74           HA       ASP  74   2.616  -8.422  -2.804
  541    HB2  ASP  74           HB2      ASP  74   2.351  -6.059  -2.171
  542    HB3  ASP  74           HB3      ASP  74   3.017  -5.564  -3.728
  543    H    VAL  75           H        VAL  75   5.075  -6.977  -4.969
  544    HA   VAL  75           HA       VAL  75   4.132  -8.721  -7.166
  545    HB   VAL  75           HB       VAL  75   3.132  -6.820  -7.830
  546   HG11  VAL  75          HG11      VAL  75   3.497  -5.249  -6.103
  547   HG12  VAL  75          HG12      VAL  75   5.183  -5.051  -6.567
  548   HG13  VAL  75          HG13      VAL  75   3.907  -4.483  -7.637
  549   HG21  VAL  75          HG21      VAL  75   4.413  -5.766  -9.618
  550   HG22  VAL  75          HG22      VAL  75   5.936  -6.370  -8.921
  551   HG23  VAL  75          HG23      VAL  75   4.754  -7.516  -9.550
  552    H    VAL  76           H        VAL  76   5.771  -9.705  -8.306
  553    HA   VAL  76           HA       VAL  76   8.542  -8.743  -7.956
  554    HB   VAL  76           HB       VAL  76   7.510 -11.505  -7.293
  555   HG11  VAL  76          HG11      VAL  76   9.906 -12.038  -6.717
  556   HG12  VAL  76          HG12      VAL  76   9.679 -11.727  -8.426
  557   HG13  VAL  76          HG13      VAL  76  10.397 -10.471  -7.389
  558   HG21  VAL  76          HG21      VAL  76   8.988  -9.589  -5.422
  559   HG22  VAL  76          HG22      VAL  76   7.248  -9.882  -5.393
  560   HG23  VAL  76          HG23      VAL  76   8.337 -11.198  -5.034
  561    H    ILE  77           H        ILE  77   9.706  -9.085  -9.778
  562    HA   ILE  77           HA       ILE  77   8.467 -10.599 -12.020
  563    HB   ILE  77           HB       ILE  77  10.307  -8.211 -12.169
  564   HG12  ILE  77          HG12      ILE  77   8.323  -7.320 -11.108
  565   HG13  ILE  77          HG13      ILE  77   8.460  -6.743 -12.749
  566   HG21  ILE  77          HG21      ILE  77   9.716  -8.098 -14.491
  567   HG22  ILE  77          HG22      ILE  77  10.219  -9.745 -14.144
  568   HG23  ILE  77          HG23      ILE  77   8.498  -9.385 -14.319
  569   HD11  ILE  77          HD11      ILE  77   6.664  -9.107 -12.177
  570   HD12  ILE  77          HD12      ILE  77   6.128  -7.455 -11.871
  571   HD13  ILE  77          HD13      ILE  77   6.615  -7.914 -13.508
  572    H    SER  78           H        SER  78   9.793 -12.245 -12.747
  573    HA   SER  78           HA       SER  78  12.652 -12.276 -11.898
  574    HB2  SER  78           HB2      SER  78  10.769 -14.432 -12.935
  575    HB3  SER  78           HB3      SER  78  12.541 -14.619 -12.851
  576    HG   SER  78           HG       SER  78  11.606 -15.493 -11.003
  577    H    LEU  79           H        LEU  79  13.691 -11.085 -13.499
  578    HA   LEU  79           HA       LEU  79  12.265 -10.632 -15.990
  579    HB2  LEU  79           HB2      LEU  79  14.852  -9.623 -14.784
  580    HB3  LEU  79           HB3      LEU  79  14.478  -9.264 -16.473
  581    HG   LEU  79           HG       LEU  79  12.550  -8.661 -14.231
  582   HD11  LEU  79          HD11      LEU  79  14.522  -6.787 -15.572
  583   HD12  LEU  79          HD12      LEU  79  13.298  -6.369 -14.371
  584   HD13  LEU  79          HD13      LEU  79  14.667  -7.413 -13.899
  585   HD21  LEU  79          HD21      LEU  79  11.600  -7.053 -15.906
  586   HD22  LEU  79          HD22      LEU  79  12.778  -7.659 -17.095
  587   HD23  LEU  79          HD23      LEU  79  11.498  -8.726 -16.475
  588    H    CYS  80           H        CYS  80  14.081 -13.284 -15.253
  589    HA   CYS  80           HA       CYS  80  14.895 -13.686 -18.048
  590    HB2  CYS  80           HB2      CYS  80  16.819 -13.692 -15.666
  591    HB3  CYS  80           HB3      CYS  80  17.237 -14.264 -17.281
  592    H    GLY  81           H        GLY  81  12.919 -15.075 -17.480
  593    HA2  GLY  81           HA2      GLY  81  12.405 -17.371 -17.663
  594    HA3  GLY  81           HA3      GLY  81  13.845 -17.803 -16.748
  595    H    SER  82           H        SER  82  11.819 -19.067 -15.753
  596    HA   SER  82           HA       SER  82  10.115 -17.413 -14.060
  597    HB2  SER  82           HB2      SER  82   8.912 -19.615 -13.749
  598    HB3  SER  82           HB3      SER  82   8.980 -18.958 -15.390
  599    HG   SER  82           HG       SER  82   9.502 -21.166 -15.451
  600    H    GLY  83           H        GLY  83  11.102 -20.638 -13.068
  601    HA2  GLY  83           HA2      GLY  83  11.843 -19.693 -10.383
  602    HA3  GLY  83           HA3      GLY  83  11.802 -21.370 -10.971
  603    H    VAL  84           H        VAL  84  13.492 -21.175 -13.191
  604    HA   VAL  84           HA       VAL  84  15.654 -21.525 -13.644
  605    HB   VAL  84           HB       VAL  84  16.968 -19.347 -13.754
  606   HG11  VAL  84          HG11      VAL  84  14.248 -19.575 -15.094
  607   HG12  VAL  84          HG12      VAL  84  15.650 -18.643 -15.678
  608   HG13  VAL  84          HG13      VAL  84  15.734 -20.403 -15.610
  609   HG21  VAL  84          HG21      VAL  84  14.281 -18.080 -13.079
  610   HG22  VAL  84          HG22      VAL  84  15.706 -18.012 -12.022
  611   HG23  VAL  84          HG23      VAL  84  15.748 -17.260 -13.618
  612    H    ASN  85           H        ASN  85  16.685 -19.271 -11.100
  613    HA   ASN  85           HA       ASN  85  17.747 -21.465  -9.495
  614    HB2  ASN  85           HB2      ASN  85  19.571 -21.020 -11.174
  615    HB3  ASN  85           HB3      ASN  85  19.656 -19.356 -10.582
  616   HD21  ASN  85          HD22      ASN  85  21.960 -19.901 -10.037
  617   HD22  ASN  85          HD21      ASN  85  22.296 -20.778  -8.563
  618    H    LEU  86           H        LEU  86  15.632 -19.856  -9.037
  619    HA   LEU  86           HA       LEU  86  16.450 -17.886  -6.981
  620    HB2  LEU  86           HB2      LEU  86  15.984 -16.529  -8.764
  621    HB3  LEU  86           HB3      LEU  86  14.769 -17.565  -9.453
  622    HG   LEU  86           HG       LEU  86  14.140 -16.301  -6.794
  623   HD11  LEU  86          HD11      LEU  86  13.259 -14.265  -7.942
  624   HD12  LEU  86          HD12      LEU  86  15.014 -14.368  -7.953
  625   HD13  LEU  86          HD13      LEU  86  14.095 -14.772  -9.427
  626   HD21  LEU  86          HD21      LEU  86  11.859 -16.151  -7.954
  627   HD22  LEU  86          HD22      LEU  86  12.582 -16.917  -9.371
  628   HD23  LEU  86          HD23      LEU  86  12.470 -17.801  -7.842
  629    HA   PRO  87           HA       PRO  87  13.776 -20.536  -4.741
  630    HB2  PRO  87           HB2      PRO  87  13.120 -18.241  -2.910
  631    HB3  PRO  87           HB3      PRO  87  13.694 -19.881  -2.498
  632    HG2  PRO  87           HG2      PRO  87  15.410 -17.775  -2.471
  633    HG3  PRO  87           HG3      PRO  87  15.924 -19.357  -3.138
  634    HD2  PRO  87           HD2      PRO  87  14.992 -16.897  -4.647
  635    HD3  PRO  87           HD3      PRO  87  16.388 -17.974  -4.956
  636    HA   PRO  88           HA       PRO  88   9.854 -19.633  -6.606
  637    HB2  PRO  88           HB2      PRO  88   8.254 -21.647  -5.649
  638    HB3  PRO  88           HB3      PRO  88   9.602 -21.948  -6.792
  639    HG2  PRO  88           HG2      PRO  88   9.635 -22.217  -3.770
  640    HG3  PRO  88           HG3      PRO  88  10.192 -23.407  -4.988
  641    HD2  PRO  88           HD2      PRO  88  11.943 -21.731  -3.770
  642    HD3  PRO  88           HD3      PRO  88  12.111 -22.113  -5.510
  643    H    GLU  89           H        GLU  89  10.099 -19.434  -3.091
  644    HA   GLU  89           HA       GLU  89   7.497 -18.371  -2.727
  645    HB2  GLU  89           HB2      GLU  89   8.392 -17.305  -0.719
  646    HB3  GLU  89           HB3      GLU  89   8.959 -18.966  -0.855
  647    HG2  GLU  89           HG2      GLU  89  11.148 -18.185  -1.664
  648    HG3  GLU  89           HG3      GLU  89  10.596 -16.513  -1.626
  649    H    TRP  90           H        TRP  90  10.083 -17.109  -4.625
  650    HA   TRP  90           HA       TRP  90   8.995 -14.359  -4.624
  651    HB2  TRP  90           HB2      TRP  90  11.394 -15.686  -5.878
  652    HB3  TRP  90           HB3      TRP  90  10.973 -14.008  -6.148
  653    HD1  TRP  90           HD1      TRP  90  12.832 -16.200  -3.801
  654    HE1  TRP  90           HE1      TRP  90  13.712 -14.899  -1.773
  655    HE3  TRP  90           HE3      TRP  90  10.340 -11.834  -4.554
  656    HZ2  TRP  90           HZ2      TRP  90  13.314 -12.268  -0.603
  657    HZ3  TRP  90           HZ3      TRP  90  10.571  -9.934  -2.977
  658    HH2  TRP  90           HH2      TRP  90  12.044 -10.135  -1.007
  659    H    VAL  91           H        VAL  91   8.457 -17.319  -6.434
  660    HA   VAL  91           HA       VAL  91   7.727 -15.769  -8.793
  661    HB   VAL  91           HB       VAL  91   7.593 -17.656 -10.023
  662   HG11  VAL  91          HG11      VAL  91   9.816 -18.586  -9.995
  663   HG12  VAL  91          HG12      VAL  91   9.886 -16.870  -9.580
  664   HG13  VAL  91          HG13      VAL  91  10.046 -18.102  -8.306
  665   HG21  VAL  91          HG21      VAL  91   7.907 -19.970  -9.331
  666   HG22  VAL  91          HG22      VAL  91   7.914 -19.474  -7.635
  667   HG23  VAL  91          HG23      VAL  91   6.459 -19.265  -8.617
  668    H    THR  92           H        THR  92   6.367 -16.668  -5.908
  669    HA   THR  92           HA       THR  92   3.708 -16.944  -7.106
  670    HB   THR  92           HB       THR  92   3.277 -18.082  -4.864
  671    HG1  THR  92           HG1      THR  92   4.903 -18.208  -3.393
  672   HG21  THR  92          HG21      THR  92   4.112 -19.431  -6.746
  673   HG22  THR  92          HG22      THR  92   5.785 -19.028  -6.301
  674   HG23  THR  92          HG23      THR  92   4.801 -20.000  -5.198
  675    H    GLN  93           H        GLN  93   4.952 -14.180  -6.231
  676    HA   GLN  93           HA       GLN  93   3.083 -13.290  -4.305
  677    HB2  GLN  93           HB2      GLN  93   4.935 -11.916  -6.281
  678    HB3  GLN  93           HB3      GLN  93   3.719 -10.963  -5.465
  679    HG2  GLN  93           HG2      GLN  93   5.714 -10.840  -4.125
  680    HG3  GLN  93           HG3      GLN  93   4.487 -11.746  -3.260
  681   HE21  GLN  93          HE22      GLN  93   6.107 -12.869  -1.930
  682   HE22  GLN  93          HE21      GLN  93   6.973 -14.217  -2.688
  683    H    GLU  94           H        GLU  94   1.552 -11.249  -4.980
  684    HA   GLU  94           HA       GLU  94  -0.716 -12.532  -6.030
  685    HB2  GLU  94           HB2      GLU  94  -0.115  -9.555  -5.710
  686    HB3  GLU  94           HB3      GLU  94  -1.706 -10.210  -6.070
  687    HG2  GLU  94           HG2      GLU  94  -0.097 -10.792  -3.545
  688    HG3  GLU  94           HG3      GLU  94  -1.447  -9.678  -3.683
  689    H    ILE  95           H        ILE  95   1.802 -10.778  -7.681
  690    HA   ILE  95           HA       ILE  95   0.704 -11.689 -10.230
  691    HB   ILE  95           HB       ILE  95   0.063  -9.423 -10.404
  692   HG12  ILE  95          HG12      ILE  95   2.789  -9.404 -11.755
  693   HG13  ILE  95          HG13      ILE  95   1.505 -10.495 -12.288
  694   HG21  ILE  95          HG21      ILE  95   2.796  -8.688  -9.291
  695   HG22  ILE  95          HG22      ILE  95   1.706  -7.518 -10.034
  696   HG23  ILE  95          HG23      ILE  95   1.207  -8.358  -8.562
  697   HD11  ILE  95          HD11      ILE  95   0.024  -8.664 -12.818
  698   HD12  ILE  95          HD12      ILE  95   1.152  -7.470 -12.158
  699   HD13  ILE  95          HD13      ILE  95   1.592  -8.383 -13.609
  700    H    PHE  96           H        PHE  96   2.241 -12.783 -11.281
  701    HA   PHE  96           HA       PHE  96   5.071 -12.432 -10.476
  702    HB2  PHE  96           HB2      PHE  96   4.407 -14.569  -9.718
  703    HB3  PHE  96           HB3      PHE  96   3.712 -14.988 -11.292
  704    HD1  PHE  96           HD2      PHE  96   6.949 -13.517  -9.995
  705    HD2  PHE  96           HD1      PHE  96   5.079 -16.406 -12.609
  706    HE1  PHE  96           HE2      PHE  96   9.161 -14.244 -10.767
  707    HE2  PHE  96           HE1      PHE  96   7.321 -17.148 -13.375
  708    HZ   PHE  96           HZ       PHE  96   9.369 -16.073 -12.443
  709    H    GLU  97           H        GLU  97   6.407 -11.993 -12.377
  710    HA   GLU  97           HA       GLU  97   5.338 -12.578 -15.039
  711    HB2  GLU  97           HB2      GLU  97   6.236  -9.803 -14.306
  712    HB3  GLU  97           HB3      GLU  97   5.921 -10.327 -15.927
  713    HG2  GLU  97           HG2      GLU  97   3.737 -10.252 -13.812
  714    HG3  GLU  97           HG3      GLU  97   4.178  -8.877 -14.797
  715    H    ASP  98           H        ASP  98   7.017 -11.922 -16.659
  716    HA   ASP  98           HA       ASP  98   9.731 -12.178 -16.254
  717    HB2  ASP  98           HB2      ASP  98   9.460 -14.483 -15.501
  718    HB3  ASP  98           HB3      ASP  98   8.193 -14.773 -16.685
  719    H    TRP  99           H        TRP  99  10.687 -11.800 -18.257
  720    HA   TRP  99           HA       TRP  99   8.961 -11.734 -20.655
  721    HB2  TRP  99           HB2      TRP  99  10.178  -9.246 -19.390
  722    HB3  TRP  99           HB3      TRP  99   9.456  -9.303 -20.998
  723    HD1  TRP  99           HD1      TRP  99   6.686 -10.492 -20.633
  724    HE1  TRP  99           HE1      TRP  99   4.892  -9.538 -19.057
  725    HE3  TRP  99           HE3      TRP  99   9.679  -7.761 -17.526
  726    HZ2  TRP  99           HZ2      TRP  99   4.740  -7.608 -16.925
  727    HZ3  TRP  99           HZ3      TRP  99   8.687  -6.511 -15.659
  728    HH2  TRP  99           HH2      TRP  99   6.233  -6.374 -15.370
  729    H    GLN 100           H        GLN 100  10.199 -11.576 -22.594
  730    HA   GLN 100           HA       GLN 100  13.017 -12.273 -22.271
  731    HB2  GLN 100           HB2      GLN 100  11.442 -13.480 -23.817
  732    HB3  GLN 100           HB3      GLN 100  11.388 -12.040 -24.826
  733    HG2  GLN 100           HG2      GLN 100  12.963 -13.665 -25.738
  734    HG3  GLN 100           HG3      GLN 100  13.845 -12.236 -25.225
  735   HE21  GLN 100          HE22      GLN 100  13.042 -15.635 -24.299
  736   HE22  GLN 100          HE21      GLN 100  14.436 -15.850 -23.263
  737    H    LEU 101           H        LEU 101  13.090 -10.044 -21.197
  738    HA   LEU 101           HA       LEU 101  13.706  -7.811 -23.064
  739    HB2  LEU 101           HB2      LEU 101  13.750  -8.140 -20.018
  740    HB3  LEU 101           HB3      LEU 101  14.411  -6.717 -20.818
  741    HG   LEU 101           HG       LEU 101  11.523  -7.618 -21.141
  742   HD11  LEU 101          HD11      LEU 101  12.787  -5.892 -19.051
  743   HD12  LEU 101          HD12      LEU 101  11.103  -5.608 -19.587
  744   HD13  LEU 101          HD13      LEU 101  11.576  -7.171 -18.936
  745   HD21  LEU 101          HD21      LEU 101  13.047  -5.248 -22.171
  746   HD22  LEU 101          HD22      LEU 101  11.947  -6.344 -23.007
  747   HD23  LEU 101          HD23      LEU 101  11.286  -5.167 -21.877
  748    H    GLU 102           H        GLU 102  15.985  -7.064 -23.210
  749    HA   GLU 102           HA       GLU 102  17.939  -9.109 -22.505
  750    HB2  GLU 102           HB2      GLU 102  18.983  -9.067 -24.501
  751    HB3  GLU 102           HB3      GLU 102  17.275  -8.982 -24.953
  752    HG2  GLU 102           HG2      GLU 102  17.479  -6.583 -25.332
  753    HG3  GLU 102           HG3      GLU 102  19.174  -6.626 -24.811
  754    H    ASP 103           H        ASP 103  20.257  -8.151 -22.408
  755    HA   ASP 103           HA       ASP 103  20.130  -5.545 -21.100
  756    HB2  ASP 103           HB2      ASP 103  21.018  -7.200 -19.674
  757    HB3  ASP 103           HB3      ASP 103  22.192  -7.738 -20.889
  758    HA   PRO 104           HA       PRO 104  22.020  -4.188 -25.033
  759    HB2  PRO 104           HB2      PRO 104  22.200  -1.575 -24.536
  760    HB3  PRO 104           HB3      PRO 104  20.624  -2.380 -24.771
  761    HG2  PRO 104           HG2      PRO 104  21.960  -1.771 -22.099
  762    HG3  PRO 104           HG3      PRO 104  20.307  -1.293 -22.629
  763    HD2  PRO 104           HD2      PRO 104  20.717  -3.522 -21.197
  764    HD3  PRO 104           HD3      PRO 104  19.559  -3.543 -22.555
  765    H    ASP 105           H        ASP 105  23.486  -4.371 -21.928
  766    HA   ASP 105           HA       ASP 105  25.746  -2.992 -21.813
  767    HB2  ASP 105           HB2      ASP 105  25.318  -4.484 -20.117
  768    HB3  ASP 105           HB3      ASP 105  25.284  -5.896 -21.194
  769    H    GLY 106           H        GLY 106  27.493  -2.690 -23.217
  770    HA2  GLY 106           HA2      GLY 106  29.290  -3.151 -24.522
  771    HA3  GLY 106           HA3      GLY 106  29.016  -4.861 -24.169
  772    H    GLN 107           H        GLN 107  26.213  -3.707 -25.671
  773    HA   GLN 107           HA       GLN 107  27.242  -4.277 -28.415
  774    HB2  GLN 107           HB2      GLN 107  25.056  -5.168 -29.016
  775    HB3  GLN 107           HB3      GLN 107  25.892  -6.128 -27.797
  776    HG2  GLN 107           HG2      GLN 107  24.482  -5.178 -26.046
  777    HG3  GLN 107           HG3      GLN 107  23.663  -4.152 -27.253
  778   HE21  GLN 107          HE22      GLN 107  22.583  -6.437 -25.389
  779   HE22  GLN 107          HE21      GLN 107  21.680  -7.376 -26.557
  780    H    SER 108           H        SER 108  25.066  -3.366 -29.860
  781    HA   SER 108           HA       SER 108  25.937  -0.773 -30.009
  782    HB2  SER 108           HB2      SER 108  23.458  -1.832 -31.410
  783    HB3  SER 108           HB3      SER 108  24.604  -0.620 -31.998
  784    HG   SER 108           HG       SER 108  24.988  -2.690 -32.942
  785    H    LEU 109           H        LEU 109  24.966   1.268 -30.045
  786    HA   LEU 109           HA       LEU 109  23.379   2.126 -27.937
  787    HB2  LEU 109           HB2      LEU 109  24.920   3.424 -29.450
  788    HB3  LEU 109           HB3      LEU 109  23.709   3.314 -30.732
  789    HG   LEU 109           HG       LEU 109  22.121   4.632 -29.323
  790   HD11  LEU 109          HD11      LEU 109  23.080   5.821 -27.320
  791   HD12  LEU 109          HD12      LEU 109  22.856   4.089 -27.068
  792   HD13  LEU 109          HD13      LEU 109  24.483   4.731 -27.388
  793   HD21  LEU 109          HD21      LEU 109  24.870   5.903 -29.691
  794   HD22  LEU 109          HD22      LEU 109  23.624   5.736 -30.947
  795   HD23  LEU 109          HD23      LEU 109  23.330   6.772 -29.536
  796    H    GLU 110           H        GLU 110  22.378   1.026 -31.165
  797    HA   GLU 110           HA       GLU 110  19.654   1.709 -31.055
  798    HB2  GLU 110           HB2      GLU 110  20.867   0.873 -33.039
  799    HB3  GLU 110           HB3      GLU 110  21.010  -0.727 -32.294
  800    HG2  GLU 110           HG2      GLU 110  18.575  -1.010 -32.347
  801    HG3  GLU 110           HG3      GLU 110  18.360   0.643 -32.930
  802    H    VAL 111           H        VAL 111  21.389  -0.952 -29.434
  803    HA   VAL 111           HA       VAL 111  18.950  -2.295 -28.704
  804    HB   VAL 111           HB       VAL 111  21.628  -2.849 -27.443
  805   HG11  VAL 111          HG11      VAL 111  20.653  -5.162 -27.377
  806   HG12  VAL 111          HG12      VAL 111  19.695  -3.998 -26.460
  807   HG13  VAL 111          HG13      VAL 111  19.160  -4.531 -28.067
  808   HG21  VAL 111          HG21      VAL 111  20.633  -3.887 -30.136
  809   HG22  VAL 111          HG22      VAL 111  22.071  -2.877 -29.867
  810   HG23  VAL 111          HG23      VAL 111  22.036  -4.512 -29.250
  811    H    PHE 112           H        PHE 112  21.299  -0.114 -26.990
  812    HA   PHE 112           HA       PHE 112  19.915   0.020 -24.483
  813    HB2  PHE 112           HB2      PHE 112  21.472   2.126 -26.046
  814    HB3  PHE 112           HB3      PHE 112  20.775   2.416 -24.467
  815    HD1  PHE 112           HD2      PHE 112  21.627   1.266 -22.434
  816    HD2  PHE 112           HD1      PHE 112  23.507   0.717 -26.282
  817    HE1  PHE 112           HE2      PHE 112  23.583   0.199 -21.346
  818    HE2  PHE 112           HE1      PHE 112  25.454  -0.310 -25.185
  819    HZ   PHE 112           HZ       PHE 112  25.498  -0.601 -22.714
  820    H    ARG 113           H        ARG 113  19.382   1.928 -27.489
  821    HA   ARG 113           HA       ARG 113  17.144   3.404 -26.490
  822    HB2  ARG 113           HB2      ARG 113  18.022   2.607 -29.300
  823    HB3  ARG 113           HB3      ARG 113  16.658   3.686 -29.000
  824    HG2  ARG 113           HG2      ARG 113  18.009   5.367 -28.031
  825    HG3  ARG 113           HG3      ARG 113  19.396   4.284 -27.814
  826    HD2  ARG 113           HD2      ARG 113  19.832   4.184 -30.163
  827    HD3  ARG 113           HD3      ARG 113  18.303   5.022 -30.546
  828    HE   ARG 113           HE       ARG 113  19.881   6.666 -28.833
  829   HH11  ARG 113          HH11      ARG 113  19.837   5.540 -32.217
  830   HH12  ARG 113          HH12      ARG 113  20.596   6.961 -32.841
  831   HH21  ARG 113          HH21      ARG 113  20.883   8.564 -29.684
  832   HH22  ARG 113          HH22      ARG 113  21.206   8.706 -31.368
  833    H    THR 114           H        THR 114  17.224   0.241 -28.273
  834    HA   THR 114           HA       THR 114  14.433  -0.098 -28.447
  835    HB   THR 114           HB       THR 114  16.904  -1.865 -28.461
  836    HG1  THR 114           HG1      THR 114  16.726  -0.718 -30.279
  837   HG21  THR 114          HG21      THR 114  14.064  -2.803 -28.846
  838   HG22  THR 114          HG22      THR 114  15.533  -3.703 -29.361
  839   HG23  THR 114          HG23      THR 114  15.270  -3.355 -27.648
  840    H    VAL 115           H        VAL 115  16.810  -1.309 -25.963
  841    HA   VAL 115           HA       VAL 115  14.771  -2.684 -24.556
  842    HB   VAL 115           HB       VAL 115  17.616  -1.925 -23.808
  843   HG11  VAL 115          HG11      VAL 115  15.727  -3.818 -22.321
  844   HG12  VAL 115          HG12      VAL 115  17.437  -3.560 -21.959
  845   HG13  VAL 115          HG13      VAL 115  16.300  -2.245 -21.700
  846   HG21  VAL 115          HG21      VAL 115  16.280  -4.560 -24.644
  847   HG22  VAL 115          HG22      VAL 115  17.342  -3.583 -25.665
  848   HG23  VAL 115          HG23      VAL 115  17.996  -4.361 -24.223
  849    H    ARG 116           H        ARG 116  16.132   0.602 -24.155
  850    HA   ARG 116           HA       ARG 116  14.693   1.217 -21.800
  851    HB2  ARG 116           HB2      ARG 116  16.518   2.546 -22.709
  852    HB3  ARG 116           HB3      ARG 116  15.566   3.004 -24.124
  853    HG2  ARG 116           HG2      ARG 116  14.149   4.413 -22.861
  854    HG3  ARG 116           HG3      ARG 116  14.588   3.640 -21.334
  855    HD2  ARG 116           HD2      ARG 116  15.595   5.877 -21.543
  856    HD3  ARG 116           HD3      ARG 116  16.773   4.605 -21.312
  857    HE   ARG 116           HE       ARG 116  17.755   5.144 -23.264
  858   HH11  ARG 116          HH21      ARG 116  14.484   6.597 -23.436
  859   HH12  ARG 116          HH22      ARG 116  14.854   7.542 -24.826
  860   HH21  ARG 116          HH11      ARG 116  18.204   6.431 -25.107
  861   HH22  ARG 116          HH12      ARG 116  16.987   7.434 -25.798
  862    H    GLY 117           H        GLY 117  13.619   1.466 -25.252
  863    HA2  GLY 117           HA2      GLY 117  10.992   2.419 -24.694
  864    HA3  GLY 117           HA3      GLY 117  11.506   1.533 -26.137
  865    H    GLN 118           H        GLN 118  12.172  -0.944 -25.271
  866    HA   GLN 118           HA       GLN 118   9.719  -2.294 -25.007
  867    HB2  GLN 118           HB2      GLN 118  12.575  -3.148 -24.399
  868    HB3  GLN 118           HB3      GLN 118  11.233  -4.270 -24.307
  869    HG2  GLN 118           HG2      GLN 118  11.895  -2.726 -26.846
  870    HG3  GLN 118           HG3      GLN 118  12.590  -4.292 -26.454
  871   HE21  GLN 118          HE22      GLN 118  11.265  -4.298 -28.788
  872   HE22  GLN 118          HE21      GLN 118   9.692  -5.044 -28.642
  873    H    VAL 119           H        VAL 119  12.184  -1.666 -22.539
  874    HA   VAL 119           HA       VAL 119  10.759  -3.027 -20.451
  875    HB   VAL 119           HB       VAL 119  13.052  -1.010 -20.347
  876   HG11  VAL 119          HG11      VAL 119  12.040  -1.027 -18.152
  877   HG12  VAL 119          HG12      VAL 119  11.867  -2.803 -18.181
  878   HG13  VAL 119          HG13      VAL 119  13.483  -2.063 -18.104
  879   HG21  VAL 119          HG21      VAL 119  12.978  -4.063 -20.145
  880   HG22  VAL 119          HG22      VAL 119  13.571  -3.162 -21.530
  881   HG23  VAL 119          HG23      VAL 119  14.432  -3.053 -19.994
  882    H    LYS 120           H        LYS 120  10.815   0.482 -21.394
  883    HA   LYS 120           HA       LYS 120   9.290   1.442 -19.218
  884    HB2  LYS 120           HB2      LYS 120  10.288   2.811 -21.109
  885    HB3  LYS 120           HB3      LYS 120   9.008   2.204 -22.178
  886    HG2  LYS 120           HG2      LYS 120   7.291   3.286 -20.824
  887    HG3  LYS 120           HG3      LYS 120   8.490   3.781 -19.613
  888    HD2  LYS 120           HD2      LYS 120   9.645   5.193 -21.235
  889    HD3  LYS 120           HD3      LYS 120   8.580   4.668 -22.540
  890    HE2  LYS 120           HE2      LYS 120   7.560   6.103 -20.045
  891    HE3  LYS 120           HE3      LYS 120   8.142   6.967 -21.471
  892    HZ1  LYS 120           HZ1      LYS 120   6.420   5.858 -22.788
  893    HZ2  LYS 120           HZ2      LYS 120   5.833   5.081 -21.455
  894    HZ3  LYS 120           HZ3      LYS 120   5.761   6.710 -21.565
  895    H    GLU 121           H        GLU 121   8.211  -0.115 -22.283
  896    HA   GLU 121           HA       GLU 121   5.460   0.189 -21.723
  897    HB2  GLU 121           HB2      GLU 121   6.480  -0.075 -23.938
  898    HB3  GLU 121           HB3      GLU 121   6.898  -1.761 -23.562
  899    HG2  GLU 121           HG2      GLU 121   4.510  -2.287 -23.198
  900    HG3  GLU 121           HG3      GLU 121   4.067  -0.629 -23.605
  901    H    ARG 122           H        ARG 122   7.647  -2.654 -21.176
  902    HA   ARG 122           HA       ARG 122   5.619  -4.324 -20.047
  903    HB2  ARG 122           HB2      ARG 122   8.535  -4.281 -19.131
  904    HB3  ARG 122           HB3      ARG 122   7.393  -5.597 -18.932
  905    HG2  ARG 122           HG2      ARG 122   8.654  -4.647 -21.511
  906    HG3  ARG 122           HG3      ARG 122   9.026  -6.118 -20.644
  907    HD2  ARG 122           HD2      ARG 122   7.333  -7.280 -21.554
  908    HD3  ARG 122           HD3      ARG 122   6.181  -5.962 -21.415
  909    HE   ARG 122           HE       ARG 122   8.258  -6.233 -23.573
  910   HH11  ARG 122          HH11      ARG 122   4.886  -5.331 -22.748
  911   HH12  ARG 122          HH12      ARG 122   4.725  -4.351 -24.194
  912   HH21  ARG 122          HH21      ARG 122   7.887  -4.896 -25.493
  913   HH22  ARG 122          HH22      ARG 122   6.299  -4.170 -25.674
  914    H    VAL 123           H        VAL 123   7.752  -1.962 -18.415
  915    HA   VAL 123           HA       VAL 123   6.700  -2.545 -15.793
  916    HB   VAL 123           HB       VAL 123   8.180  -0.168 -16.864
  917   HG11  VAL 123          HG11      VAL 123   7.777  -1.049 -13.974
  918   HG12  VAL 123          HG12      VAL 123   8.846   0.265 -14.539
  919   HG13  VAL 123          HG13      VAL 123   7.094   0.404 -14.729
  920   HG21  VAL 123          HG21      VAL 123   9.454  -2.359 -17.020
  921   HG22  VAL 123          HG22      VAL 123  10.185  -1.172 -15.942
  922   HG23  VAL 123          HG23      VAL 123   9.260  -2.537 -15.269
  923    H    GLU 124           H        GLU 124   5.796  -0.063 -18.326
  924    HA   GLU 124           HA       GLU 124   3.825   1.223 -16.755
  925    HB2  GLU 124           HB2      GLU 124   4.259   0.893 -19.743
  926    HB3  GLU 124           HB3      GLU 124   2.704   1.489 -19.149
  927    HG2  GLU 124           HG2      GLU 124   3.985   3.258 -17.851
  928    HG3  GLU 124           HG3      GLU 124   5.420   2.766 -18.766
  929    H    ASN 125           H        ASN 125   3.604  -1.611 -18.894
  930    HA   ASN 125           HA       ASN 125   0.814  -2.034 -18.576
  931    HB2  ASN 125           HB2      ASN 125   2.121  -3.122 -20.356
  932    HB3  ASN 125           HB3      ASN 125   3.057  -4.028 -19.165
  933   HD21  ASN 125          HD22      ASN 125  -0.270  -3.615 -20.508
  934   HD22  ASN 125          HD21      ASN 125  -0.816  -5.204 -20.038
  935    H    LEU 126           H        LEU 126   3.594  -3.309 -16.686
  936    HA   LEU 126           HA       LEU 126   2.143  -4.927 -14.900
  937    HB2  LEU 126           HB2      LEU 126   4.561  -4.998 -15.110
  938    HB3  LEU 126           HB3      LEU 126   4.720  -3.311 -14.621
  939    HG   LEU 126           HG       LEU 126   3.885  -3.850 -12.370
  940   HD11  LEU 126          HD11      LEU 126   2.521  -5.837 -12.885
  941   HD12  LEU 126          HD12      LEU 126   3.960  -6.731 -13.413
  942   HD13  LEU 126          HD13      LEU 126   3.752  -6.287 -11.709
  943   HD21  LEU 126          HD21      LEU 126   6.246  -3.732 -12.799
  944   HD22  LEU 126          HD22      LEU 126   5.922  -4.993 -11.602
  945   HD23  LEU 126          HD23      LEU 126   6.297  -5.435 -13.285
  946    H    ILE 127           H        ILE 127   3.056  -1.437 -14.618
  947    HA   ILE 127           HA       ILE 127   1.893  -0.989 -12.017
  948    HB   ILE 127           HB       ILE 127   2.683   0.727 -14.397
  949   HG12  ILE 127          HG12      ILE 127   3.872   0.306 -11.612
  950   HG13  ILE 127          HG13      ILE 127   4.406  -0.627 -12.995
  951   HG21  ILE 127          HG21      ILE 127   2.498   2.689 -12.900
  952   HG22  ILE 127          HG22      ILE 127   0.932   1.940 -13.163
  953   HG23  ILE 127          HG23      ILE 127   1.791   1.657 -11.629
  954   HD11  ILE 127          HD11      ILE 127   5.020   1.489 -14.149
  955   HD12  ILE 127          HD12      ILE 127   4.678   2.344 -12.617
  956   HD13  ILE 127          HD13      ILE 127   5.964   1.128 -12.674
  957    H    ALA 128           H        ALA 128   0.671  -0.496 -15.406
  958    HA   ALA 128           HA       ALA 128  -1.896   0.379 -14.711
  959    HB1  ALA 128           HB1      ALA 128  -0.887   0.468 -16.986
  960    HB2  ALA 128           HB2      ALA 128  -1.088  -1.297 -17.123
  961    HB3  ALA 128           HB3      ALA 128  -2.514  -0.247 -16.987
  962    H    LYS 129           H        LYS 129  -0.636  -2.977 -14.694
  963    HA   LYS 129           HA       LYS 129  -3.228  -4.180 -14.325
  964    HB2  LYS 129           HB2      LYS 129  -0.409  -5.186 -13.823
  965    HB3  LYS 129           HB3      LYS 129  -1.831  -6.128 -13.414
  966    HG2  LYS 129           HG2      LYS 129  -2.533  -6.334 -15.656
  967    HG3  LYS 129           HG3      LYS 129  -1.433  -5.065 -16.222
  968    HD2  LYS 129           HD2      LYS 129   0.500  -6.415 -15.857
  969    HD3  LYS 129           HD3      LYS 129  -0.435  -7.666 -15.008
  970    HE2  LYS 129           HE2      LYS 129  -1.529  -8.387 -16.967
  971    HE3  LYS 129           HE3      LYS 129  -1.137  -6.904 -17.851
  972    HZ1  LYS 129           HZ1      LYS 129   0.216  -8.865 -18.501
  973    HZ2  LYS 129           HZ2      LYS 129   1.097  -7.559 -18.056
  974    HZ3  LYS 129           HZ3      LYS 129   0.963  -8.853 -17.037
  975    H    ILE 130           H        ILE 130  -0.550  -3.401 -12.046
  976    HA   ILE 130           HA       ILE 130  -2.138  -4.329  -9.881
  977    HB   ILE 130           HB       ILE 130  -0.268  -3.818  -8.485
  978   HG12  ILE 130          HG12      ILE 130   0.878  -2.429 -10.908
  979   HG13  ILE 130          HG13      ILE 130   0.529  -1.720  -9.338
  980   HG21  ILE 130          HG21      ILE 130  -0.395  -5.880  -9.935
  981   HG22  ILE 130          HG22      ILE 130   0.720  -5.082 -11.069
  982   HG23  ILE 130          HG23      ILE 130   1.221  -5.428  -9.395
  983   HD11  ILE 130          HD11      ILE 130   2.310  -3.069  -8.312
  984   HD12  ILE 130          HD12      ILE 130   2.709  -3.751  -9.924
  985   HD13  ILE 130          HD13      ILE 130   2.907  -2.030  -9.627
  986    H    SER 131           H        SER 131  -1.414  -1.034 -10.974
  987    HA   SER 131           HA       SER 131  -2.479   0.116  -8.543
  988    HB2  SER 131           HB2      SER 131  -0.926   1.256 -10.871
  989    HB3  SER 131           HB3      SER 131  -1.525   2.199  -9.484
  990    HG   SER 131           HG       SER 131   0.665   1.409  -9.192
  Start of MODEL   16
    1    H    MET   1           H        MET   1   1.739   0.812   0.831
    2    HA   MET   1           HA       MET   1   2.006   0.566  -1.563
    3    HB2  MET   1           HB2      MET   1   4.095   0.921   0.377
    4    HB3  MET   1           HB3      MET   1   4.764  -0.142  -0.857
    5    HG2  MET   1           HG2      MET   1   4.541   1.407  -2.549
    6    HG3  MET   1           HG3      MET   1   3.350   2.390  -1.675
    7    HE1  MET   1           HE1      MET   1   5.008   4.149  -2.950
    8    HE2  MET   1           HE2      MET   1   6.610   4.602  -2.310
    9    HE3  MET   1           HE3      MET   1   6.416   3.091  -3.216
   10    H    LYS   2           H        LYS   2   2.350  -0.836  -3.371
   11    HA   LYS   2           HA       LYS   2   2.477  -3.748  -2.828
   12    HB2  LYS   2           HB2      LYS   2   2.724  -2.465  -5.569
   13    HB3  LYS   2           HB3      LYS   2   2.211  -4.072  -5.176
   14    HG2  LYS   2           HG2      LYS   2   0.127  -3.210  -4.127
   15    HG3  LYS   2           HG3      LYS   2   0.647  -1.554  -4.472
   16    HD2  LYS   2           HD2      LYS   2   0.798  -2.318  -6.950
   17    HD3  LYS   2           HD3      LYS   2  -0.209  -3.677  -6.456
   18    HE2  LYS   2           HE2      LYS   2  -0.879  -0.722  -5.954
   19    HE3  LYS   2           HE3      LYS   2  -1.379  -1.596  -7.394
   20    HZ1  LYS   2           HZ1      LYS   2  -2.662  -3.120  -5.993
   21    HZ2  LYS   2           HZ2      LYS   2  -2.209  -2.326  -4.626
   22    HZ3  LYS   2           HZ3      LYS   2  -3.139  -1.583  -5.741
   23    H    LYS   3           H        LYS   3   4.474  -4.703  -2.370
   24    HA   LYS   3           HA       LYS   3   6.864  -3.122  -3.085
   25    HB2  LYS   3           HB2      LYS   3   6.819  -5.764  -1.628
   26    HB3  LYS   3           HB3      LYS   3   8.159  -4.625  -1.807
   27    HG2  LYS   3           HG2      LYS   3   6.843  -2.907  -0.568
   28    HG3  LYS   3           HG3      LYS   3   5.578  -4.115  -0.281
   29    HD2  LYS   3           HD2      LYS   3   7.212  -5.561   0.888
   30    HD3  LYS   3           HD3      LYS   3   8.485  -4.341   0.610
   31    HE2  LYS   3           HE2      LYS   3   7.155  -2.653   1.829
   32    HE3  LYS   3           HE3      LYS   3   5.858  -3.841   2.073
   33    HZ1  LYS   3           HZ1      LYS   3   8.600  -4.006   3.219
   34    HZ2  LYS   3           HZ2      LYS   3   7.210  -3.781   4.054
   35    HZ3  LYS   3           HZ3      LYS   3   7.507  -5.220   3.312
   36    H    VAL   4           H        VAL   4   8.297  -3.642  -4.619
   37    HA   VAL   4           HA       VAL   4   7.394  -5.635  -6.627
   38    HB   VAL   4           HB       VAL   4   8.844  -3.118  -7.344
   39   HG11  VAL   4          HG11      VAL   4   7.596  -3.286  -9.437
   40   HG12  VAL   4          HG12      VAL   4   8.388  -4.838  -9.111
   41   HG13  VAL   4          HG13      VAL   4   6.644  -4.618  -8.807
   42   HG21  VAL   4          HG21      VAL   4   6.831  -1.852  -7.685
   43   HG22  VAL   4          HG22      VAL   4   5.835  -3.133  -6.945
   44   HG23  VAL   4          HG23      VAL   4   7.003  -2.211  -5.981
   45    H    MET   5           H        MET   5   9.002  -6.690  -7.765
   46    HA   MET   5           HA       MET   5  11.852  -6.002  -7.344
   47    HB2  MET   5           HB2      MET   5  10.707  -8.822  -7.098
   48    HB3  MET   5           HB3      MET   5  12.421  -8.442  -7.252
   49    HG2  MET   5           HG2      MET   5  11.962  -6.921  -5.129
   50    HG3  MET   5           HG3      MET   5  10.565  -7.982  -4.933
   51    HE1  MET   5           HE1      MET   5  12.985  -9.383  -2.241
   52    HE2  MET   5           HE2      MET   5  12.806  -7.676  -2.705
   53    HE3  MET   5           HE3      MET   5  11.375  -8.730  -2.615
   54    H    PHE   6           H        PHE   6  13.139  -6.438  -9.133
   55    HA   PHE   6           HA       PHE   6  11.947  -7.756 -11.496
   56    HB2  PHE   6           HB2      PHE   6  13.584  -5.169 -11.540
   57    HB3  PHE   6           HB3      PHE   6  13.055  -6.084 -12.941
   58    HD1  PHE   6           HD1      PHE   6  11.911  -3.991 -10.089
   59    HD2  PHE   6           HD2      PHE   6  10.887  -5.685 -13.928
   60    HE1  PHE   6           HE1      PHE   6   9.848  -2.641 -10.131
   61    HE2  PHE   6           HE2      PHE   6   8.868  -4.251 -14.004
   62    HZ   PHE   6           HZ       PHE   6   8.325  -2.748 -12.087
   63    H    VAL   7           H        VAL   7  13.285  -9.562 -11.640
   64    HA   VAL   7           HA       VAL   7  16.197  -9.173 -11.190
   65    HB   VAL   7           HB       VAL   7  15.380  -9.407  -8.994
   66   HG11  VAL   7          HG11      VAL   7  13.675 -11.761  -9.859
   67   HG12  VAL   7          HG12      VAL   7  13.979 -11.291  -8.172
   68   HG13  VAL   7          HG13      VAL   7  13.129 -10.179  -9.239
   69   HG21  VAL   7          HG21      VAL   7  16.335 -12.188  -9.743
   70   HG22  VAL   7          HG22      VAL   7  17.385 -10.770  -9.497
   71   HG23  VAL   7          HG23      VAL   7  16.426 -11.405  -8.154
   72    H    CYS   8           H        CYS   8  17.434 -10.506 -12.329
   73    HA   CYS   8           HA       CYS   8  16.259 -12.921 -13.649
   74    HB2  CYS   8           HB2      CYS   8  16.692 -11.195 -15.299
   75    HB3  CYS   8           HB3      CYS   8  18.270 -10.854 -14.608
   76    H    LYS   9           H        LYS   9  18.395 -14.437 -14.114
   77    HA   LYS   9           HA       LYS   9  19.327 -15.295 -11.590
   78    HB2  LYS   9           HB2      LYS   9  19.243 -16.658 -13.679
   79    HB3  LYS   9           HB3      LYS   9  20.611 -15.737 -14.336
   80    HG2  LYS   9           HG2      LYS   9  22.078 -16.593 -12.559
   81    HG3  LYS   9           HG3      LYS   9  20.703 -17.318 -11.732
   82    HD2  LYS   9           HD2      LYS   9  21.938 -19.050 -12.839
   83    HD3  LYS   9           HD3      LYS   9  20.370 -18.879 -13.641
   84    HE2  LYS   9           HE2      LYS   9  21.441 -17.567 -15.469
   85    HE3  LYS   9           HE3      LYS   9  22.998 -17.647 -14.631
   86    HZ1  LYS   9           HZ1      LYS   9  22.969 -20.060 -14.939
   87    HZ2  LYS   9           HZ2      LYS   9  21.518 -19.996 -15.703
   88    HZ3  LYS   9           HZ3      LYS   9  22.835 -19.312 -16.382
   89    H    ARG  10           H        ARG  10  20.734 -12.934 -13.818
   90    HA   ARG  10           HA       ARG  10  22.577 -12.088 -11.648
   91    HB2  ARG  10           HB2      ARG  10  24.312 -11.527 -13.203
   92    HB3  ARG  10           HB3      ARG  10  23.871 -13.210 -13.476
   93    HG2  ARG  10           HG2      ARG  10  22.459 -12.461 -15.457
   94    HG3  ARG  10           HG3      ARG  10  23.047 -10.815 -15.165
   95    HD2  ARG  10           HD2      ARG  10  25.418 -11.763 -15.390
   96    HD3  ARG  10           HD3      ARG  10  24.654 -13.258 -15.969
   97    HE   ARG  10           HE       ARG  10  23.735 -10.884 -17.388
   98   HH11  ARG  10          HH11      ARG  10  26.275 -13.384 -17.312
   99   HH12  ARG  10          HH12      ARG  10  26.843 -13.061 -18.909
  100   HH21  ARG  10          HH21      ARG  10  24.629 -10.341 -19.484
  101   HH22  ARG  10          HH22      ARG  10  25.835 -11.357 -20.185
  102    H    ASN  11           H        ASN  11  22.944  -9.706 -11.711
  103    HA   ASN  11           HA       ASN  11  20.556  -8.205 -12.493
  104    HB2  ASN  11           HB2      ASN  11  21.986  -7.556 -10.526
  105    HB3  ASN  11           HB3      ASN  11  23.330  -7.213 -11.629
  106   HD21  ASN  11          HD22      ASN  11  23.088  -5.153 -10.351
  107   HD22  ASN  11          HD21      ASN  11  22.027  -3.910 -11.043
  108    H    SER  12           H        SER  12  23.904  -8.628 -13.650
  109    HA   SER  12           HA       SER  12  24.166  -6.646 -15.447
  110    HB2  SER  12           HB2      SER  12  25.271  -9.395 -16.020
  111    HB3  SER  12           HB3      SER  12  26.058  -7.821 -16.183
  112    HG   SER  12           HG       SER  12  26.826  -8.904 -14.329
  113    H    SER  13           H        SER  13  23.857  -6.339 -17.621
  114    HA   SER  13           HA       SER  13  22.717  -6.221 -19.492
  115    HB2  SER  13           HB2      SER  13  22.156  -9.191 -19.328
  116    HB3  SER  13           HB3      SER  13  22.226  -8.195 -20.769
  117    HG   SER  13           HG       SER  13  24.465  -7.942 -20.427
  118    H    ARG  14           H        ARG  14  20.679  -8.582 -17.605
  119    HA   ARG  14           HA       ARG  14  18.392  -7.368 -18.949
  120    HB2  ARG  14           HB2      ARG  14  18.981  -9.945 -18.206
  121    HB3  ARG  14           HB3      ARG  14  17.928  -9.482 -16.886
  122    HG2  ARG  14           HG2      ARG  14  16.496 -10.431 -18.507
  123    HG3  ARG  14           HG3      ARG  14  16.242  -8.697 -18.655
  124    HD2  ARG  14           HD2      ARG  14  16.342  -9.730 -20.857
  125    HD3  ARG  14           HD3      ARG  14  17.738  -8.658 -20.649
  126    HE   ARG  14           HE       ARG  14  18.321 -11.407 -19.907
  127   HH11  ARG  14          HH21      ARG  14  17.821  -9.401 -22.811
  128   HH12  ARG  14          HH22      ARG  14  18.973 -10.270 -23.767
  129   HH21  ARG  14          HH11      ARG  14  19.804 -12.596 -21.212
  130   HH22  ARG  14          HH12      ARG  14  20.058 -12.163 -22.859
  131    H    SER  15           H        SER  15  19.300  -7.509 -15.426
  132    HA   SER  15           HA       SER  15  16.720  -6.230 -14.852
  133    HB2  SER  15           HB2      SER  15  18.829  -7.043 -12.857
  134    HB3  SER  15           HB3      SER  15  17.101  -6.827 -12.592
  135    HG   SER  15           HG       SER  15  16.832  -8.621 -14.177
  136    H    GLN  16           H        GLN  16  19.476  -4.779 -15.869
  137    HA   GLN  16           HA       GLN  16  19.897  -2.951 -13.782
  138    HB2  GLN  16           HB2      GLN  16  21.248  -1.672 -15.323
  139    HB3  GLN  16           HB3      GLN  16  21.598  -3.396 -15.351
  140    HG2  GLN  16           HG2      GLN  16  20.245  -3.519 -17.537
  141    HG3  GLN  16           HG3      GLN  16  20.175  -1.750 -17.495
  142   HE21  GLN  16          HE22      GLN  16  21.655  -3.619 -19.491
  143   HE22  GLN  16          HE21      GLN  16  23.289  -3.028 -19.431
  144    H    MET  17           H        MET  17  17.860  -2.441 -16.693
  145    HA   MET  17           HA       MET  17  17.387   0.317 -15.909
  146    HB2  MET  17           HB2      MET  17  17.821  -0.374 -18.209
  147    HB3  MET  17           HB3      MET  17  16.403  -1.393 -18.202
  148    HG2  MET  17           HG2      MET  17  15.928   0.477 -19.457
  149    HG3  MET  17           HG3      MET  17  14.939   0.589 -18.006
  150    HE1  MET  17           HE1      MET  17  15.180   2.732 -16.233
  151    HE2  MET  17           HE2      MET  17  16.903   2.398 -15.871
  152    HE3  MET  17           HE3      MET  17  16.430   3.985 -16.453
  153    H    ALA  18           H        ALA  18  15.504  -2.662 -15.864
  154    HA   ALA  18           HA       ALA  18  12.919  -1.542 -15.840
  155    HB1  ALA  18           HB1      ALA  18  13.501  -3.941 -16.307
  156    HB2  ALA  18           HB2      ALA  18  13.796  -4.159 -14.560
  157    HB3  ALA  18           HB3      ALA  18  12.169  -3.753 -15.148
  158    H    GLU  19           H        GLU  19  14.880  -2.408 -12.936
  159    HA   GLU  19           HA       GLU  19  12.846  -1.502 -11.123
  160    HB2  GLU  19           HB2      GLU  19  14.399  -1.832  -9.428
  161    HB3  GLU  19           HB3      GLU  19  14.876  -2.967 -10.670
  162    HG2  GLU  19           HG2      GLU  19  16.851  -2.115  -9.886
  163    HG3  GLU  19           HG3      GLU  19  16.635  -1.230 -11.408
  164    H    GLY  20           H        GLY  20  15.400   0.143 -12.899
  165    HA2  GLY  20           HA2      GLY  20  15.508   2.685 -11.751
  166    HA3  GLY  20           HA3      GLY  20  15.700   2.306 -13.468
  167    H    PHE  21           H        PHE  21  13.380   1.583 -14.501
  168    HA   PHE  21           HA       PHE  21  11.881   4.050 -14.382
  169    HB2  PHE  21           HB2      PHE  21  11.476   1.437 -15.825
  170    HB3  PHE  21           HB3      PHE  21  10.149   2.588 -15.730
  171    HD1  PHE  21           HD1      PHE  21  10.868   5.174 -16.091
  172    HD2  PHE  21           HD2      PHE  21  12.907   1.695 -17.627
  173    HE1  PHE  21           HE1      PHE  21  11.885   6.557 -17.921
  174    HE2  PHE  21           HE2      PHE  21  13.945   3.072 -19.404
  175    HZ   PHE  21           HZ       PHE  21  13.395   5.508 -19.578
  176    H    ALA  22           H        ALA  22  11.428   0.950 -12.691
  177    HA   ALA  22           HA       ALA  22   8.693   1.540 -12.150
  178    HB1  ALA  22           HB1      ALA  22  10.582  -0.247 -10.557
  179    HB2  ALA  22           HB2      ALA  22   8.789  -0.337 -10.623
  180    HB3  ALA  22           HB3      ALA  22   9.774  -0.698 -12.072
  181    H    LYS  23           H        LYS  23  11.674   2.505 -10.362
  182    HA   LYS  23           HA       LYS  23  10.119   3.617  -8.182
  183    HB2  LYS  23           HB2      LYS  23  12.062   4.633  -7.386
  184    HB3  LYS  23           HB3      LYS  23  12.564   3.096  -8.041
  185    HG2  LYS  23           HG2      LYS  23  12.831   5.226 -10.062
  186    HG3  LYS  23           HG3      LYS  23  13.603   5.707  -8.568
  187    HD2  LYS  23           HD2      LYS  23  14.145   3.112 -10.046
  188    HD3  LYS  23           HD3      LYS  23  15.096   4.588 -10.219
  189    HE2  LYS  23           HE2      LYS  23  15.442   4.425  -7.652
  190    HE3  LYS  23           HE3      LYS  23  14.732   2.786  -7.769
  191    HZ1  LYS  23           HZ1      LYS  23  17.313   3.154  -7.930
  192    HZ2  LYS  23           HZ2      LYS  23  16.561   1.999  -8.862
  193    HZ3  LYS  23           HZ3      LYS  23  17.004   3.441  -9.488
  194    H    THR  24           H        THR  24  10.774   4.766 -11.444
  195    HA   THR  24           HA       THR  24  10.112   7.511 -10.905
  196    HB   THR  24           HB       THR  24  10.932   5.826 -13.241
  197    HG1  THR  24           HG1      THR  24  12.535   6.606 -11.870
  198   HG21  THR  24          HG21      THR  24   9.935   8.671 -13.414
  199   HG22  THR  24          HG22      THR  24  10.960   7.873 -14.637
  200   HG23  THR  24          HG23      THR  24   9.353   7.223 -14.287
  201    H    LEU  25           H        LEU  25   8.607   4.877 -12.764
  202    HA   LEU  25           HA       LEU  25   6.203   6.377 -13.331
  203    HB2  LEU  25           HB2      LEU  25   6.880   3.418 -13.537
  204    HB3  LEU  25           HB3      LEU  25   5.438   4.152 -14.243
  205    HG   LEU  25           HG       LEU  25   8.298   4.881 -15.009
  206   HD11  LEU  25          HD11      LEU  25   6.345   2.909 -16.247
  207   HD12  LEU  25          HD12      LEU  25   7.846   3.463 -17.024
  208   HD13  LEU  25          HD13      LEU  25   7.911   2.559 -15.505
  209   HD21  LEU  25          HD21      LEU  25   6.706   6.666 -15.570
  210   HD22  LEU  25          HD22      LEU  25   7.219   5.835 -17.044
  211   HD23  LEU  25          HD23      LEU  25   5.621   5.496 -16.346
  212    H    GLY  26           H        GLY  26   7.147   3.925 -10.922
  213    HA2  GLY  26           HA2      GLY  26   4.428   3.603  -9.895
  214    HA3  GLY  26           HA3      GLY  26   5.913   2.760  -9.413
  215    H    ALA  27           H        ALA  27   6.542   6.080  -9.478
  216    HA   ALA  27           HA       ALA  27   7.265   6.284  -6.833
  217    HB1  ALA  27           HB1      ALA  27   7.950   7.870  -8.631
  218    HB2  ALA  27           HB2      ALA  27   6.302   8.526  -8.672
  219    HB3  ALA  27           HB3      ALA  27   7.298   8.726  -7.218
  220    H    GLY  28           H        GLY  28   6.198   6.449  -4.941
  221    HA2  GLY  28           HA2      GLY  28   4.615   7.002  -3.382
  222    HA3  GLY  28           HA3      GLY  28   3.724   7.897  -4.617
  223    H    LYS  29           H        LYS  29   3.991   4.921  -6.023
  224    HA   LYS  29           HA       LYS  29   1.390   3.971  -4.867
  225    HB2  LYS  29           HB2      LYS  29   2.587   3.391  -7.609
  226    HB3  LYS  29           HB3      LYS  29   1.012   2.852  -6.998
  227    HG2  LYS  29           HG2      LYS  29   0.281   5.220  -6.808
  228    HG3  LYS  29           HG3      LYS  29   1.846   5.758  -7.441
  229    HD2  LYS  29           HD2      LYS  29   1.424   4.432  -9.531
  230    HD3  LYS  29           HD3      LYS  29  -0.199   4.059  -8.947
  231    HE2  LYS  29           HE2      LYS  29   0.904   6.887  -9.352
  232    HE3  LYS  29           HE3      LYS  29  -0.016   5.999 -10.575
  233    HZ1  LYS  29           HZ1      LYS  29  -1.906   5.953  -9.037
  234    HZ2  LYS  29           HZ2      LYS  29  -1.062   6.815  -7.915
  235    HZ3  LYS  29           HZ3      LYS  29  -1.443   7.482  -9.353
  236    H    ILE  30           H        ILE  30   4.564   2.790  -6.135
  237    HA   ILE  30           HA       ILE  30   4.252   0.326  -4.480
  238    HB   ILE  30           HB       ILE  30   4.736  -1.067  -6.385
  239   HG12  ILE  30          HG12      ILE  30   4.713   1.446  -8.103
  240   HG13  ILE  30          HG13      ILE  30   6.142   0.476  -7.742
  241   HG21  ILE  30          HG21      ILE  30   2.632  -0.974  -7.491
  242   HG22  ILE  30          HG22      ILE  30   2.337  -0.280  -5.885
  243   HG23  ILE  30          HG23      ILE  30   2.496   0.780  -7.294
  244   HD11  ILE  30          HD11      ILE  30   5.472  -0.155  -9.918
  245   HD12  ILE  30          HD12      ILE  30   4.941  -1.490  -8.891
  246   HD13  ILE  30          HD13      ILE  30   3.753  -0.303  -9.469
  247    H    ALA  31           H        ALA  31   6.187  -0.766  -4.011
  248    HA   ALA  31           HA       ALA  31   8.484   1.150  -3.785
  249    HB1  ALA  31           HB1      ALA  31   7.569  -1.117  -1.943
  250    HB2  ALA  31           HB2      ALA  31   8.951  -0.053  -1.676
  251    HB3  ALA  31           HB3      ALA  31   7.294   0.622  -1.672
  252    H    VAL  32           H        VAL  32   9.999   0.494  -5.364
  253    HA   VAL  32           HA       VAL  32  10.273  -2.402  -5.928
  254    HB   VAL  32           HB       VAL  32  10.271  -0.823  -7.780
  255   HG11  VAL  32          HG11      VAL  32  12.884   0.284  -6.711
  256   HG12  VAL  32          HG12      VAL  32  12.190   0.596  -8.309
  257   HG13  VAL  32          HG13      VAL  32  11.339   1.161  -6.867
  258   HG21  VAL  32          HG21      VAL  32  12.968  -2.190  -7.499
  259   HG22  VAL  32          HG22      VAL  32  11.449  -3.021  -7.903
  260   HG23  VAL  32          HG23      VAL  32  12.095  -1.779  -8.992
  261    H    THR  33           H        THR  33  11.939  -3.677  -5.262
  262    HA   THR  33           HA       THR  33  14.134  -2.442  -3.725
  263    HB   THR  33           HB       THR  33  12.692  -5.006  -2.994
  264    HG1  THR  33           HG1      THR  33  12.395  -2.431  -1.850
  265   HG21  THR  33          HG21      THR  33  13.919  -4.767  -0.830
  266   HG22  THR  33          HG22      THR  33  15.010  -4.982  -2.198
  267   HG23  THR  33          HG23      THR  33  14.786  -3.367  -1.489
  268    H    SER  34           H        SER  34  13.009  -5.364  -5.374
  269    HA   SER  34           HA       SER  34  13.911  -6.843  -6.757
  270    HB2  SER  34           HB2      SER  34  15.786  -4.589  -7.439
  271    HB3  SER  34           HB3      SER  34  15.535  -6.064  -8.400
  272    HG   SER  34           HG       SER  34  14.132  -4.149  -8.909
  273    H    SER  35           H        SER  35  16.300  -5.650  -4.470
  274    HA   SER  35           HA       SER  35  17.935  -6.732  -3.342
  275    HB2  SER  35           HB2      SER  35  16.190  -9.173  -3.799
  276    HB3  SER  35           HB3      SER  35  17.241  -8.823  -2.417
  277    HG   SER  35           HG       SER  35  15.300  -8.122  -1.702
  278    H    GLY  36           H        GLY  36  18.396  -9.876  -4.093
  279    HA2  GLY  36           HA2      GLY  36  19.544  -9.891  -6.678
  280    HA3  GLY  36           HA3      GLY  36  20.797  -9.606  -5.453
  281    H    LEU  37           H        LEU  37  20.947 -11.953  -6.789
  282    HA   LEU  37           HA       LEU  37  19.942 -14.005  -4.926
  283    HB2  LEU  37           HB2      LEU  37  20.373 -14.015  -7.914
  284    HB3  LEU  37           HB3      LEU  37  20.213 -15.520  -7.008
  285    HG   LEU  37           HG       LEU  37  18.054 -13.376  -6.895
  286   HD11  LEU  37          HD11      LEU  37  18.516 -13.959  -9.260
  287   HD12  LEU  37          HD12      LEU  37  18.263 -15.679  -8.879
  288   HD13  LEU  37          HD13      LEU  37  16.924 -14.505  -8.741
  289   HD21  LEU  37          HD21      LEU  37  16.597 -15.330  -6.334
  290   HD22  LEU  37          HD22      LEU  37  18.031 -16.377  -6.405
  291   HD23  LEU  37          HD23      LEU  37  17.927 -15.112  -5.174
  292    H    GLU  38           H        GLU  38  22.490 -12.901  -7.052
  293    HA   GLU  38           HA       GLU  38  24.593 -13.743  -5.243
  294    HB2  GLU  38           HB2      GLU  38  24.727 -14.383  -8.237
  295    HB3  GLU  38           HB3      GLU  38  26.034 -14.582  -7.059
  296    HG2  GLU  38           HG2      GLU  38  24.519 -16.229  -5.844
  297    HG3  GLU  38           HG3      GLU  38  23.401 -16.093  -7.215
  298    H    SER  39           H        SER  39  23.897 -12.583  -8.490
  299    HA   SER  39           HA       SER  39  23.892 -10.662  -9.549
  300    HB2  SER  39           HB2      SER  39  23.199  -9.669  -6.763
  301    HB3  SER  39           HB3      SER  39  22.760  -8.852  -8.273
  302    HG   SER  39           HG       SER  39  21.379 -10.491  -8.781
  303    H    SER  40           H        SER  40  24.421  -8.165  -9.357
  304    HA   SER  40           HA       SER  40  27.165  -7.505  -8.797
  305    HB2  SER  40           HB2      SER  40  26.195  -8.576 -11.475
  306    HB3  SER  40           HB3      SER  40  27.495  -7.359 -11.436
  307    HG   SER  40           HG       SER  40  27.594  -9.764  -9.911
  308    H    ARG  41           H        ARG  41  27.449  -5.353 -10.279
  309    HA   ARG  41           HA       ARG  41  24.956  -3.774  -9.840
  310    HB2  ARG  41           HB2      ARG  41  26.174  -2.024  -9.202
  311    HB3  ARG  41           HB3      ARG  41  27.373  -3.244  -8.833
  312    HG2  ARG  41           HG2      ARG  41  28.373  -2.752 -11.171
  313    HG3  ARG  41           HG3      ARG  41  27.262  -1.356 -11.226
  314    HD2  ARG  41           HD2      ARG  41  28.239  -0.570  -9.046
  315    HD3  ARG  41           HD3      ARG  41  29.409  -1.903  -9.140
  316    HE   ARG  41           HE       ARG  41  29.400  -0.316 -11.551
  317   HH11  ARG  41          HH11      ARG  41  30.605  -0.256  -8.200
  318   HH12  ARG  41          HH12      ARG  41  31.968   0.741  -8.557
  319   HH21  ARG  41          HH21      ARG  41  31.214   1.029 -12.022
  320   HH22  ARG  41          HH22      ARG  41  32.311   1.493 -10.777
  321    H    VAL  42           H        VAL  42  24.896  -1.840 -11.479
  322    HA   VAL  42           HA       VAL  42  24.209  -3.130 -13.976
  323    HB   VAL  42           HB       VAL  42  23.200  -1.048 -14.492
  324   HG11  VAL  42          HG11      VAL  42  22.100  -2.572 -12.823
  325   HG12  VAL  42          HG12      VAL  42  22.675  -1.465 -11.536
  326   HG13  VAL  42          HG13      VAL  42  21.562  -0.889 -12.779
  327   HG21  VAL  42          HG21      VAL  42  24.767   0.601 -13.872
  328   HG22  VAL  42          HG22      VAL  42  23.331   0.922 -12.899
  329   HG23  VAL  42          HG23      VAL  42  24.753   0.130 -12.159
  330    H    HIS  43           H        HIS  43  24.702  -1.639 -16.070
  331    HA   HIS  43           HA       HIS  43  27.622  -1.828 -16.359
  332    HB2  HIS  43           HB2      HIS  43  25.333  -1.497 -18.346
  333    HB3  HIS  43           HB3      HIS  43  27.024  -1.611 -18.795
  334    HD1  HIS  43           HD1      HIS  43  27.605  -4.012 -19.545
  335    HD2  HIS  43           HD2      HIS  43  24.636  -3.859 -16.575
  336    HE1  HIS  43           HE1      HIS  43  27.065  -6.417 -18.938
  337    HA   PRO  44           HA       PRO  44  28.463   2.403 -15.934
  338    HB2  PRO  44           HB2      PRO  44  30.352   2.984 -17.894
  339    HB3  PRO  44           HB3      PRO  44  30.684   2.055 -16.400
  340    HG2  PRO  44           HG2      PRO  44  30.014   0.970 -19.166
  341    HG3  PRO  44           HG3      PRO  44  31.346   0.470 -18.070
  342    HD2  PRO  44           HD2      PRO  44  29.076  -0.948 -18.165
  343    HD3  PRO  44           HD3      PRO  44  29.822  -0.595 -16.574
  344    H    THR  45           H        THR  45  28.107   1.741 -19.493
  345    HA   THR  45           HA       THR  45  27.256   4.366 -20.121
  346    HB   THR  45           HB       THR  45  26.627   1.871 -21.631
  347    HG1  THR  45           HG1      THR  45  29.084   3.311 -21.654
  348   HG21  THR  45          HG21      THR  45  27.220   4.706 -22.578
  349   HG22  THR  45          HG22      THR  45  26.986   3.293 -23.637
  350   HG23  THR  45          HG23      THR  45  25.650   3.874 -22.643
  351    H    ALA  46           H        ALA  46  25.473   1.603 -18.795
  352    HA   ALA  46           HA       ALA  46  22.843   2.437 -19.481
  353    HB1  ALA  46           HB1      ALA  46  23.602   1.142 -16.788
  354    HB2  ALA  46           HB2      ALA  46  22.073   1.034 -17.660
  355    HB3  ALA  46           HB3      ALA  46  23.495   0.215 -18.320
  356    H    ILE  47           H        ILE  47  24.862   3.203 -16.629
  357    HA   ILE  47           HA       ILE  47  22.841   4.762 -15.397
  358    HB   ILE  47           HB       ILE  47  25.892   4.942 -15.176
  359   HG12  ILE  47          HG12      ILE  47  23.977   3.643 -13.195
  360   HG13  ILE  47          HG13      ILE  47  24.655   2.746 -14.547
  361   HG21  ILE  47          HG21      ILE  47  24.957   7.033 -14.314
  362   HG22  ILE  47          HG22      ILE  47  23.741   6.153 -13.377
  363   HG23  ILE  47          HG23      ILE  47  25.460   6.050 -12.935
  364   HD11  ILE  47          HD11      ILE  47  26.014   2.353 -12.563
  365   HD12  ILE  47          HD12      ILE  47  26.954   3.208 -13.796
  366   HD13  ILE  47          HD13      ILE  47  26.325   4.084 -12.381
  367    H    ALA  48           H        ALA  48  25.352   5.710 -17.781
  368    HA   ALA  48           HA       ALA  48  24.835   8.492 -17.602
  369    HB1  ALA  48           HB1      ALA  48  25.964   8.641 -19.800
  370    HB2  ALA  48           HB2      ALA  48  26.848   7.559 -18.710
  371    HB3  ALA  48           HB3      ALA  48  25.831   6.886 -20.010
  372    H    MET  49           H        MET  49  23.400   5.992 -19.755
  373    HA   MET  49           HA       MET  49  21.710   7.867 -21.185
  374    HB2  MET  49           HB2      MET  49  21.581   4.843 -20.916
  375    HB3  MET  49           HB3      MET  49  20.687   5.809 -22.100
  376    HG2  MET  49           HG2      MET  49  23.736   5.660 -21.888
  377    HG3  MET  49           HG3      MET  49  22.776   4.771 -23.017
  378    HE1  MET  49           HE1      MET  49  24.127   8.252 -21.952
  379    HE2  MET  49           HE2      MET  49  25.211   7.218 -22.908
  380    HE3  MET  49           HE3      MET  49  24.625   8.760 -23.584
  381    H    MET  50           H        MET  50  21.356   5.876 -18.309
  382    HA   MET  50           HA       MET  50  18.503   6.252 -18.100
  383    HB2  MET  50           HB2      MET  50  20.509   5.184 -16.097
  384    HB3  MET  50           HB3      MET  50  18.760   5.116 -15.943
  385    HG2  MET  50           HG2      MET  50  20.497   3.238 -17.180
  386    HG3  MET  50           HG3      MET  50  18.794   3.124 -16.948
  387    HE1  MET  50           HE1      MET  50  20.529   1.535 -19.370
  388    HE2  MET  50           HE2      MET  50  18.824   1.295 -18.966
  389    HE3  MET  50           HE3      MET  50  19.286   1.673 -20.628
  390    H    GLU  51           H        GLU  51  21.440   7.872 -16.859
  391    HA   GLU  51           HA       GLU  51  20.009   9.801 -15.343
  392    HB2  GLU  51           HB2      GLU  51  22.367   9.265 -14.949
  393    HB3  GLU  51           HB3      GLU  51  22.805   9.923 -16.534
  394    HG2  GLU  51           HG2      GLU  51  22.113  12.167 -15.818
  395    HG3  GLU  51           HG3      GLU  51  21.483  11.515 -14.299
  396    H    GLU  52           H        GLU  52  20.532   9.388 -18.812
  397    HA   GLU  52           HA       GLU  52  19.907  12.103 -19.485
  398    HB2  GLU  52           HB2      GLU  52  19.088   9.712 -21.168
  399    HB3  GLU  52           HB3      GLU  52  19.028  11.383 -21.638
  400    HG2  GLU  52           HG2      GLU  52  21.439  11.609 -21.521
  401    HG3  GLU  52           HG3      GLU  52  21.608   9.934 -21.035
  402    H    VAL  53           H        VAL  53  17.897   9.265 -18.670
  403    HA   VAL  53           HA       VAL  53  15.514  11.040 -18.624
  404    HB   VAL  53           HB       VAL  53  14.254   9.033 -18.010
  405   HG11  VAL  53          HG11      VAL  53  14.229   8.142 -20.289
  406   HG12  VAL  53          HG12      VAL  53  14.341   9.910 -20.289
  407   HG13  VAL  53          HG13      VAL  53  15.792   8.944 -20.619
  408   HG21  VAL  53          HG21      VAL  53  15.997   7.572 -17.107
  409   HG22  VAL  53          HG22      VAL  53  15.118   6.805 -18.417
  410   HG23  VAL  53          HG23      VAL  53  16.748   7.469 -18.712
  411    H    GLY  54           H        GLY  54  17.984  11.055 -16.672
  412    HA2  GLY  54           HA2      GLY  54  18.271  11.882 -14.586
  413    HA3  GLY  54           HA3      GLY  54  16.524  12.156 -14.492
  414    H    ILE  55           H        ILE  55  17.519   8.868 -15.108
  415    HA   ILE  55           HA       ILE  55  16.350   8.109 -12.525
  416    HB   ILE  55           HB       ILE  55  16.802   6.696 -15.090
  417   HG12  ILE  55          HG12      ILE  55  14.453   7.712 -13.489
  418   HG13  ILE  55          HG13      ILE  55  14.853   7.996 -15.172
  419   HG21  ILE  55          HG21      ILE  55  15.895   4.624 -14.171
  420   HG22  ILE  55          HG22      ILE  55  17.385   5.043 -13.378
  421   HG23  ILE  55          HG23      ILE  55  15.841   5.350 -12.545
  422   HD11  ILE  55          HD11      ILE  55  13.705   5.501 -13.923
  423   HD12  ILE  55          HD12      ILE  55  12.917   6.592 -15.075
  424   HD13  ILE  55          HD13      ILE  55  14.253   5.565 -15.628
  425    H    ASP  56           H        ASP  56  17.234   6.878 -11.014
  426    HA   ASP  56           HA       ASP  56  20.164   6.449 -10.910
  427    HB2  ASP  56           HB2      ASP  56  19.302   7.383  -8.899
  428    HB3  ASP  56           HB3      ASP  56  17.850   6.379  -8.947
  429    H    ILE  57           H        ILE  57  20.980   4.411 -11.268
  430    HA   ILE  57           HA       ILE  57  19.365   2.048 -10.648
  431    HB   ILE  57           HB       ILE  57  20.228   0.839 -12.671
  432   HG12  ILE  57          HG12      ILE  57  20.366   3.529 -14.064
  433   HG13  ILE  57          HG13      ILE  57  21.804   2.815 -13.332
  434   HG21  ILE  57          HG21      ILE  57  18.084   2.928 -13.110
  435   HG22  ILE  57          HG22      ILE  57  18.354   1.497 -14.121
  436   HG23  ILE  57          HG23      ILE  57  17.891   1.284 -12.433
  437   HD11  ILE  57          HD11      ILE  57  20.141   1.508 -15.517
  438   HD12  ILE  57          HD12      ILE  57  21.758   2.231 -15.649
  439   HD13  ILE  57          HD13      ILE  57  21.523   0.762 -14.694
  440    H    SER  58           H        SER  58  22.461   3.592 -11.303
  441    HA   SER  58           HA       SER  58  24.458   1.991 -10.637
  442    HB2  SER  58           HB2      SER  58  24.237   4.490  -9.003
  443    HB3  SER  58           HB3      SER  58  25.504   3.994 -10.138
  444    HG   SER  58           HG       SER  58  24.202   5.835 -10.788
  445    H    GLY  59           H        GLY  59  25.297   0.899  -8.826
  446    HA2  GLY  59           HA2      GLY  59  25.385  -0.041  -6.740
  447    HA3  GLY  59           HA3      GLY  59  24.681   1.470  -6.150
  448    H    GLN  60           H        GLN  60  23.021  -0.752  -8.409
  449    HA   GLN  60           HA       GLN  60  20.610  -0.747  -7.112
  450    HB2  GLN  60           HB2      GLN  60  21.565  -1.809  -9.453
  451    HB3  GLN  60           HB3      GLN  60  21.391  -3.297  -8.495
  452    HG2  GLN  60           HG2      GLN  60  19.005  -2.495  -7.988
  453    HG3  GLN  60           HG3      GLN  60  19.299  -1.216  -9.182
  454   HE21  GLN  60          HE22      GLN  60  19.287  -1.792 -11.445
  455   HE22  GLN  60          HE21      GLN  60  18.766  -3.393 -11.960
  456    H    THR  61           H        THR  61  23.344  -2.907  -6.513
  457    HA   THR  61           HA       THR  61  21.861  -4.992  -5.340
  458    HB   THR  61           HB       THR  61  24.404  -5.566  -4.592
  459    HG1  THR  61           HG1      THR  61  25.418  -3.676  -5.158
  460   HG21  THR  61          HG21      THR  61  23.361  -5.543  -7.458
  461   HG22  THR  61          HG22      THR  61  24.742  -6.496  -6.859
  462   HG23  THR  61          HG23      THR  61  23.112  -6.824  -6.245
  463    H    SER  62           H        SER  62  21.468  -5.546  -3.177
  464    HA   SER  62           HA       SER  62  22.185  -3.570  -1.067
  465    HB2  SER  62           HB2      SER  62  19.727  -3.687  -0.422
  466    HB3  SER  62           HB3      SER  62  20.129  -2.757  -1.877
  467    HG   SER  62           HG       SER  62  18.349  -4.083  -2.313
  468    H    ASP  63           H        ASP  63  20.094  -6.477  -1.417
  469    HA   ASP  63           HA       ASP  63  21.708  -7.984   0.559
  470    HB2  ASP  63           HB2      ASP  63  18.867  -6.996   0.915
  471    HB3  ASP  63           HB3      ASP  63  19.286  -8.592   1.516
  472    HA   PRO  64           HA       PRO  64  20.350 -11.305  -2.131
  473    HB2  PRO  64           HB2      PRO  64  20.280 -13.475  -0.468
  474    HB3  PRO  64           HB3      PRO  64  21.811 -12.712  -0.991
  475    HG2  PRO  64           HG2      PRO  64  20.298 -12.243   1.610
  476    HG3  PRO  64           HG3      PRO  64  22.044 -12.595   1.394
  477    HD2  PRO  64           HD2      PRO  64  21.093 -10.066   1.690
  478    HD3  PRO  64           HD3      PRO  64  22.479 -10.413   0.609
  479    H    ILE  65           H        ILE  65  18.374 -12.368  -2.651
  480    HA   ILE  65           HA       ILE  65  16.041 -11.193  -1.665
  481    HB   ILE  65           HB       ILE  65  16.679 -12.471  -3.871
  482   HG12  ILE  65          HG12      ILE  65  13.869 -12.435  -2.798
  483   HG13  ILE  65          HG13      ILE  65  14.723 -11.090  -3.540
  484   HG21  ILE  65          HG21      ILE  65  15.180 -14.729  -2.520
  485   HG22  ILE  65          HG22      ILE  65  15.800 -14.676  -4.180
  486   HG23  ILE  65          HG23      ILE  65  16.938 -14.714  -2.836
  487   HD11  ILE  65          HD11      ILE  65  13.245 -12.043  -5.192
  488   HD12  ILE  65          HD12      ILE  65  14.912 -12.403  -5.669
  489   HD13  ILE  65          HD13      ILE  65  13.893 -13.669  -4.935
  490    H    GLU  66           H        GLU  66  17.822 -13.890  -0.376
  491    HA   GLU  66           HA       GLU  66  15.795 -15.331   0.912
  492    HB2  GLU  66           HB2      GLU  66  17.892 -16.308   0.268
  493    HB3  GLU  66           HB3      GLU  66  18.814 -14.961   0.973
  494    HG2  GLU  66           HG2      GLU  66  18.376 -15.611   3.147
  495    HG3  GLU  66           HG3      GLU  66  17.204 -16.858   2.650
  496    H    ASN  67           H        ASN  67  17.564 -12.386   1.608
  497    HA   ASN  67           HA       ASN  67  17.320 -12.248   4.441
  498    HB2  ASN  67           HB2      ASN  67  18.773 -10.817   2.847
  499    HB3  ASN  67           HB3      ASN  67  17.310  -9.896   2.515
  500   HD21  ASN  67          HD22      ASN  67  19.649 -10.846   5.030
  501   HD22  ASN  67          HD21      ASN  67  19.260  -9.562   6.150
  502    H    PHE  68           H        PHE  68  14.994 -11.866   1.903
  503    HA   PHE  68           HA       PHE  68  13.045 -10.357   3.574
  504    HB2  PHE  68           HB2      PHE  68  13.064 -10.845   0.568
  505    HB3  PHE  68           HB3      PHE  68  11.991  -9.773   1.450
  506    HD1  PHE  68           HD1      PHE  68  15.446 -10.306   0.329
  507    HD2  PHE  68           HD2      PHE  68  12.667  -7.541   2.055
  508    HE1  PHE  68           HE1      PHE  68  17.108  -8.455   0.005
  509    HE2  PHE  68           HE2      PHE  68  14.291  -5.672   1.702
  510    HZ   PHE  68           HZ       PHE  68  16.513  -6.137   0.679
  511    H    ASN  69           H        ASN  69  10.733 -11.097   2.252
  512    HA   ASN  69           HA       ASN  69  10.683 -13.945   1.964
  513    HB2  ASN  69           HB2      ASN  69   9.919 -13.390   4.380
  514    HB3  ASN  69           HB3      ASN  69   8.595 -12.469   3.620
  515   HD21  ASN  69          HD22      ASN  69   8.200 -14.642   5.495
  516   HD22  ASN  69          HD21      ASN  69   7.356 -15.899   4.617
  517    H    ALA  70           H        ALA  70   8.892 -14.509   0.406
  518    HA   ALA  70           HA       ALA  70   8.455 -12.201  -1.250
  519    HB1  ALA  70           HB1      ALA  70   7.492 -13.790  -2.845
  520    HB2  ALA  70           HB2      ALA  70   9.019 -14.463  -2.246
  521    HB3  ALA  70           HB3      ALA  70   7.478 -15.069  -1.609
  522    H    ASP  71           H        ASP  71   6.856 -14.123   1.188
  523    HA   ASP  71           HA       ASP  71   4.234 -13.532   0.471
  524    HB2  ASP  71           HB2      ASP  71   4.829 -15.306   2.068
  525    HB3  ASP  71           HB3      ASP  71   5.399 -14.091   3.224
  526    H    ASP  72           H        ASP  72   6.666 -11.513   1.970
  527    HA   ASP  72           HA       ASP  72   4.823  -9.589   3.100
  528    HB2  ASP  72           HB2      ASP  72   7.085 -10.004   4.061
  529    HB3  ASP  72           HB3      ASP  72   7.795  -9.390   2.560
  530    H    TYR  73           H        TYR  73   6.453 -10.245   0.109
  531    HA   TYR  73           HA       TYR  73   6.150  -7.599  -1.012
  532    HB2  TYR  73           HB2      TYR  73   7.471 -10.153  -1.905
  533    HB3  TYR  73           HB3      TYR  73   7.021  -8.973  -3.121
  534    HD1  TYR  73           HD1      TYR  73   8.758  -9.135   0.224
  535    HD2  TYR  73           HD2      TYR  73   8.524  -7.225  -3.637
  536    HE1  TYR  73           HE1      TYR  73  10.493  -7.539   0.923
  537    HE2  TYR  73           HE2      TYR  73  10.285  -5.619  -2.948
  538    HH   TYR  73           HH       TYR  73  11.519  -4.769  -1.092
  539    H    ASP  74           H        ASP  74   5.150  -7.410  -3.257
  540    HA   ASP  74           HA       ASP  74   2.530  -8.886  -3.293
  541    HB2  ASP  74           HB2      ASP  74   2.279  -6.546  -2.608
  542    HB3  ASP  74           HB3      ASP  74   3.096  -6.020  -4.081
  543    H    VAL  75           H        VAL  75   5.209  -7.464  -5.249
  544    HA   VAL  75           HA       VAL  75   4.308  -9.139  -7.496
  545    HB   VAL  75           HB       VAL  75   3.291  -7.169  -8.096
  546   HG11  VAL  75          HG11      VAL  75   3.732  -5.670  -6.318
  547   HG12  VAL  75          HG12      VAL  75   5.396  -5.455  -6.864
  548   HG13  VAL  75          HG13      VAL  75   4.061  -4.858  -7.845
  549   HG21  VAL  75          HG21      VAL  75   4.561  -6.039  -9.846
  550   HG22  VAL  75          HG22      VAL  75   6.077  -6.723  -9.226
  551   HG23  VAL  75          HG23      VAL  75   4.847  -7.788  -9.898
  552    H    VAL  76           H        VAL  76   5.883 -10.027  -8.700
  553    HA   VAL  76           HA       VAL  76   8.675  -9.109  -8.352
  554    HB   VAL  76           HB       VAL  76   7.569 -11.876  -7.885
  555   HG11  VAL  76          HG11      VAL  76   9.898 -12.555  -7.345
  556   HG12  VAL  76          HG12      VAL  76   9.766 -12.021  -9.014
  557   HG13  VAL  76          HG13      VAL  76  10.484 -10.948  -7.791
  558   HG21  VAL  76          HG21      VAL  76   7.283 -10.407  -5.853
  559   HG22  VAL  76          HG22      VAL  76   8.312 -11.769  -5.588
  560   HG23  VAL  76          HG23      VAL  76   9.047 -10.160  -5.813
  561    H    ILE  77           H        ILE  77   9.541  -9.002 -10.344
  562    HA   ILE  77           HA       ILE  77   8.291 -10.492 -12.600
  563    HB   ILE  77           HB       ILE  77  10.298  -8.246 -12.762
  564   HG12  ILE  77          HG12      ILE  77   8.516  -7.161 -11.581
  565   HG13  ILE  77          HG13      ILE  77   8.513  -6.636 -13.246
  566   HG21  ILE  77          HG21      ILE  77   8.268  -9.174 -14.817
  567   HG22  ILE  77          HG22      ILE  77   9.588  -8.010 -15.024
  568   HG23  ILE  77          HG23      ILE  77   9.956  -9.708 -14.745
  569   HD11  ILE  77          HD11      ILE  77   6.513  -7.711 -13.754
  570   HD12  ILE  77          HD12      ILE  77   6.598  -8.787 -12.315
  571   HD13  ILE  77          HD13      ILE  77   6.265  -7.065 -12.128
  572    H    SER  78           H        SER  78   9.476 -12.192 -13.380
  573    HA   SER  78           HA       SER  78  12.301 -12.473 -12.513
  574    HB2  SER  78           HB2      SER  78  10.292 -14.416 -13.700
  575    HB3  SER  78           HB3      SER  78  12.035 -14.748 -13.578
  576    HG   SER  78           HG       SER  78  11.308 -15.545 -11.710
  577    H    LEU  79           H        LEU  79  13.344 -11.089 -13.985
  578    HA   LEU  79           HA       LEU  79  12.240 -10.669 -16.650
  579    HB2  LEU  79           HB2      LEU  79  14.860  -9.804 -15.368
  580    HB3  LEU  79           HB3      LEU  79  14.419  -9.396 -17.027
  581    HG   LEU  79           HG       LEU  79  12.757  -8.647 -14.606
  582   HD11  LEU  79          HD11      LEU  79  14.809  -7.088 -16.223
  583   HD12  LEU  79          HD12      LEU  79  13.623  -6.341 -15.136
  584   HD13  LEU  79          HD13      LEU  79  14.819  -7.458 -14.469
  585   HD21  LEU  79          HD21      LEU  79  12.593  -7.828 -17.536
  586   HD22  LEU  79          HD22      LEU  79  11.359  -8.728 -16.631
  587   HD23  LEU  79          HD23      LEU  79  11.688  -7.041 -16.225
  588    H    CYS  80           H        CYS  80  13.743 -13.333 -15.492
  589    HA   CYS  80           HA       CYS  80  14.248 -14.233 -18.196
  590    HB2  CYS  80           HB2      CYS  80  16.230 -14.731 -15.918
  591    HB3  CYS  80           HB3      CYS  80  16.337 -15.418 -17.533
  592    H    GLY  81           H        GLY  81  13.019 -16.041 -18.368
  593    HA2  GLY  81           HA2      GLY  81  11.803 -17.903 -17.885
  594    HA3  GLY  81           HA3      GLY  81  13.125 -18.298 -16.794
  595    H    SER  82           H        SER  82  11.864 -19.252 -15.221
  596    HA   SER  82           HA       SER  82   9.919 -17.539 -13.743
  597    HB2  SER  82           HB2      SER  82   9.999 -20.577 -13.891
  598    HB3  SER  82           HB3      SER  82   8.775 -19.562 -13.094
  599    HG   SER  82           HG       SER  82   8.145 -20.295 -15.215
  600    H    GLY  83           H        GLY  83  10.915 -20.396 -12.067
  601    HA2  GLY  83           HA2      GLY  83  12.603 -18.869 -10.212
  602    HA3  GLY  83           HA3      GLY  83  12.107 -20.561 -10.087
  603    H    VAL  84           H        VAL  84  14.081 -18.399 -12.201
  604    HA   VAL  84           HA       VAL  84  15.420 -20.459 -13.555
  605    HB   VAL  84           HB       VAL  84  17.183 -18.584 -13.982
  606   HG11  VAL  84          HG11      VAL  84  15.667 -17.565 -15.653
  607   HG12  VAL  84          HG12      VAL  84  15.464 -19.321 -15.583
  608   HG13  VAL  84          HG13      VAL  84  14.273 -18.260 -14.793
  609   HG21  VAL  84          HG21      VAL  84  16.617 -17.043 -12.116
  610   HG22  VAL  84          HG22      VAL  84  16.422 -16.301 -13.704
  611   HG23  VAL  84          HG23      VAL  84  14.985 -16.813 -12.818
  612    H    ASN  85           H        ASN  85  16.632 -18.636 -10.742
  613    HA   ASN  85           HA       ASN  85  17.812 -21.015  -9.586
  614    HB2  ASN  85           HB2      ASN  85  19.672 -20.122 -11.108
  615    HB3  ASN  85           HB3      ASN  85  19.693 -18.655 -10.126
  616   HD21  ASN  85          HD22      ASN  85  20.067 -19.056  -7.669
  617   HD22  ASN  85          HD21      ASN  85  21.204 -20.332  -7.257
  618    H    LEU  86           H        LEU  86  15.633 -19.904  -8.818
  619    HA   LEU  86           HA       LEU  86  16.114 -17.970  -6.655
  620    HB2  LEU  86           HB2      LEU  86  15.868 -16.473  -8.397
  621    HB3  LEU  86           HB3      LEU  86  14.726 -17.437  -9.284
  622    HG   LEU  86           HG       LEU  86  13.815 -16.357  -6.636
  623   HD11  LEU  86          HD11      LEU  86  14.901 -14.373  -7.596
  624   HD12  LEU  86          HD12      LEU  86  14.109 -14.660  -9.167
  625   HD13  LEU  86          HD13      LEU  86  13.154 -14.197  -7.737
  626   HD21  LEU  86          HD21      LEU  86  11.703 -16.028  -8.071
  627   HD22  LEU  86          HD22      LEU  86  12.581 -16.670  -9.449
  628   HD23  LEU  86          HD23      LEU  86  12.246 -17.708  -8.041
  629    HA   PRO  87           HA       PRO  87  13.247 -20.857  -5.098
  630    HB2  PRO  87           HB2      PRO  87  12.320 -18.833  -3.074
  631    HB3  PRO  87           HB3      PRO  87  12.899 -20.497  -2.816
  632    HG2  PRO  87           HG2      PRO  87  14.528 -18.372  -2.326
  633    HG3  PRO  87           HG3      PRO  87  15.170 -19.852  -3.106
  634    HD2  PRO  87           HD2      PRO  87  14.337 -17.250  -4.416
  635    HD3  PRO  87           HD3      PRO  87  15.788 -18.259  -4.683
  636    HA   PRO  88           HA       PRO  88   9.614 -20.054  -7.297
  637    HB2  PRO  88           HB2      PRO  88   7.787 -21.921  -6.397
  638    HB3  PRO  88           HB3      PRO  88   9.233 -22.315  -7.377
  639    HG2  PRO  88           HG2      PRO  88   8.944 -22.445  -4.355
  640    HG3  PRO  88           HG3      PRO  88   9.599 -23.701  -5.460
  641    HD2  PRO  88           HD2      PRO  88  11.255 -22.026  -4.132
  642    HD3  PRO  88           HD3      PRO  88  11.589 -22.460  -5.839
  643    H    GLU  89           H        GLU  89   9.186 -19.893  -3.767
  644    HA   GLU  89           HA       GLU  89   6.624 -18.805  -3.674
  645    HB2  GLU  89           HB2      GLU  89   7.222 -17.995  -1.488
  646    HB3  GLU  89           HB3      GLU  89   8.033 -19.538  -1.759
  647    HG2  GLU  89           HG2      GLU  89  10.078 -18.026  -2.496
  648    HG3  GLU  89           HG3      GLU  89   9.215 -16.747  -1.629
  649    H    TRP  90           H        TRP  90   9.495 -17.357  -4.977
  650    HA   TRP  90           HA       TRP  90   8.644 -14.610  -4.663
  651    HB2  TRP  90           HB2      TRP  90  10.852 -16.054  -6.090
  652    HB3  TRP  90           HB3      TRP  90  10.611 -14.331  -6.320
  653    HD1  TRP  90           HD1      TRP  90  12.079 -16.756  -3.879
  654    HE1  TRP  90           HE1      TRP  90  12.738 -15.624  -1.671
  655    HE3  TRP  90           HE3      TRP  90  10.205 -12.155  -4.812
  656    HZ2  TRP  90           HZ2      TRP  90  12.171 -13.067  -0.348
  657    HZ3  TRP  90           HZ3      TRP  90  10.058 -10.435  -3.038
  658    HH2  TRP  90           HH2      TRP  90  11.037 -10.865  -0.820
  659    H    VAL  91           H        VAL  91   8.466 -16.985  -7.334
  660    HA   VAL  91           HA       VAL  91   7.301 -14.988  -9.098
  661    HB   VAL  91           HB       VAL  91   6.826 -16.921 -10.554
  662   HG11  VAL  91          HG11      VAL  91   9.141 -17.156 -11.274
  663   HG12  VAL  91          HG12      VAL  91   8.852 -15.500 -10.723
  664   HG13  VAL  91          HG13      VAL  91   9.731 -16.639  -9.679
  665   HG21  VAL  91          HG21      VAL  91   8.559 -18.578  -8.697
  666   HG22  VAL  91          HG22      VAL  91   6.800 -18.784  -8.913
  667   HG23  VAL  91          HG23      VAL  91   7.899 -19.057 -10.266
  668    H    THR  92           H        THR  92   6.018 -17.382  -6.737
  669    HA   THR  92           HA       THR  92   3.429 -17.111  -7.906
  670    HB   THR  92           HB       THR  92   2.771 -18.678  -6.076
  671    HG1  THR  92           HG1      THR  92   3.977 -18.145  -4.332
  672   HG21  THR  92          HG21      THR  92   5.466 -19.429  -7.235
  673   HG22  THR  92          HG22      THR  92   4.156 -20.519  -6.741
  674   HG23  THR  92          HG23      THR  92   3.943 -19.459  -8.151
  675    H    GLN  93           H        GLN  93   4.350 -14.510  -7.046
  676    HA   GLN  93           HA       GLN  93   2.555 -13.915  -4.833
  677    HB2  GLN  93           HB2      GLN  93   4.421 -12.028  -6.370
  678    HB3  GLN  93           HB3      GLN  93   3.374 -11.567  -5.033
  679    HG2  GLN  93           HG2      GLN  93   5.676 -13.530  -4.857
  680    HG3  GLN  93           HG3      GLN  93   5.563 -11.932  -4.119
  681   HE21  GLN  93          HE22      GLN  93   5.528 -15.090  -3.228
  682   HE22  GLN  93          HE21      GLN  93   4.333 -15.051  -1.943
  683    H    GLU  94           H        GLU  94   1.403 -11.477  -5.594
  684    HA   GLU  94           HA       GLU  94  -0.901 -12.626  -6.769
  685    HB2  GLU  94           HB2      GLU  94  -0.183  -9.715  -6.229
  686    HB3  GLU  94           HB3      GLU  94  -1.790 -10.272  -6.684
  687    HG2  GLU  94           HG2      GLU  94  -0.298 -11.092  -4.153
  688    HG3  GLU  94           HG3      GLU  94  -1.594  -9.909  -4.257
  689    H    ILE  95           H        ILE  95   1.854 -11.311  -8.316
  690    HA   ILE  95           HA       ILE  95   0.624 -11.790 -10.905
  691    HB   ILE  95           HB       ILE  95   0.247  -9.460 -10.840
  692   HG12  ILE  95          HG12      ILE  95   2.934  -9.667 -12.245
  693   HG13  ILE  95          HG13      ILE  95   1.459 -10.410 -12.878
  694   HG21  ILE  95          HG21      ILE  95   1.503  -8.751  -8.899
  695   HG22  ILE  95          HG22      ILE  95   3.044  -9.139  -9.697
  696   HG23  ILE  95          HG23      ILE  95   2.052  -7.779 -10.246
  697   HD11  ILE  95          HD11      ILE  95   1.749  -7.423 -12.354
  698   HD12  ILE  95          HD12      ILE  95   1.934  -8.208 -13.913
  699   HD13  ILE  95          HD13      ILE  95   0.365  -8.248 -13.089
  700    H    PHE  96           H        PHE  96   2.056 -12.794 -12.225
  701    HA   PHE  96           HA       PHE  96   4.923 -12.940 -11.453
  702    HB2  PHE  96           HB2      PHE  96   4.248 -15.132 -11.141
  703    HB3  PHE  96           HB3      PHE  96   3.092 -15.101 -12.474
  704    HD1  PHE  96           HD2      PHE  96   6.797 -14.625 -11.876
  705    HD2  PHE  96           HD1      PHE  96   3.725 -16.246 -14.441
  706    HE1  PHE  96           HE2      PHE  96   8.528 -15.586 -13.364
  707    HE2  PHE  96           HE1      PHE  96   5.470 -17.180 -15.934
  708    HZ   PHE  96           HZ       PHE  96   7.878 -16.856 -15.397
  709    H    GLU  97           H        GLU  97   6.229 -12.183 -13.210
  710    HA   GLU  97           HA       GLU  97   5.170 -12.068 -15.932
  711    HB2  GLU  97           HB2      GLU  97   6.074  -9.685 -14.350
  712    HB3  GLU  97           HB3      GLU  97   6.118  -9.674 -16.103
  713    HG2  GLU  97           HG2      GLU  97   3.556 -10.076 -14.511
  714    HG3  GLU  97           HG3      GLU  97   4.180  -8.506 -14.961
  715    H    ASP  98           H        ASP  98   7.000 -11.286 -17.362
  716    HA   ASP  98           HA       ASP  98   9.641 -11.917 -16.887
  717    HB2  ASP  98           HB2      ASP  98   9.118 -14.237 -16.388
  718    HB3  ASP  98           HB3      ASP  98   7.873 -14.282 -17.629
  719    H    TRP  99           H        TRP  99  10.725 -11.284 -18.717
  720    HA   TRP  99           HA       TRP  99   9.286 -11.046 -21.273
  721    HB2  TRP  99           HB2      TRP  99  10.292  -8.626 -19.745
  722    HB3  TRP  99           HB3      TRP  99   9.606  -8.600 -21.367
  723    HD1  TRP  99           HD1      TRP  99   6.836  -9.934 -20.996
  724    HE1  TRP  99           HE1      TRP  99   5.055  -9.072 -19.362
  725    HE3  TRP  99           HE3      TRP  99   9.820  -7.099 -17.974
  726    HZ2  TRP  99           HZ2      TRP  99   4.905  -7.185 -17.168
  727    HZ3  TRP  99           HZ3      TRP  99   8.856  -6.004 -15.992
  728    HH2  TRP  99           HH2      TRP  99   6.414  -5.969 -15.612
  729    H    GLN 100           H        GLN 100  10.773 -10.870 -22.995
  730    HA   GLN 100           HA       GLN 100  13.636 -11.156 -22.323
  731    HB2  GLN 100           HB2      GLN 100  12.121 -11.308 -24.958
  732    HB3  GLN 100           HB3      GLN 100  13.874 -11.502 -24.777
  733    HG2  GLN 100           HG2      GLN 100  13.506 -13.436 -23.264
  734    HG3  GLN 100           HG3      GLN 100  11.761 -13.276 -23.475
  735   HE21  GLN 100          HE22      GLN 100  12.469 -15.705 -24.080
  736   HE22  GLN 100          HE21      GLN 100  12.666 -15.974 -25.797
  737    H    LEU 101           H        LEU 101  13.889  -9.061 -21.384
  738    HA   LEU 101           HA       LEU 101  13.631  -6.622 -22.970
  739    HB2  LEU 101           HB2      LEU 101  15.014  -7.367 -20.360
  740    HB3  LEU 101           HB3      LEU 101  15.433  -5.864 -21.165
  741    HG   LEU 101           HG       LEU 101  13.187  -5.040 -21.033
  742   HD11  LEU 101          HD11      LEU 101  11.442  -6.246 -19.703
  743   HD12  LEU 101          HD12      LEU 101  11.791  -6.968 -21.278
  744   HD13  LEU 101          HD13      LEU 101  12.462  -7.714 -19.806
  745   HD21  LEU 101          HD21      LEU 101  14.714  -4.734 -19.087
  746   HD22  LEU 101          HD22      LEU 101  13.025  -4.868 -18.554
  747   HD23  LEU 101          HD23      LEU 101  14.131  -6.250 -18.385
  748    H    GLU 102           H        GLU 102  15.025  -5.975 -24.613
  749    HA   GLU 102           HA       GLU 102  16.779  -7.960 -25.573
  750    HB2  GLU 102           HB2      GLU 102  16.347  -5.092 -26.481
  751    HB3  GLU 102           HB3      GLU 102  17.358  -6.265 -27.333
  752    HG2  GLU 102           HG2      GLU 102  15.318  -7.826 -27.370
  753    HG3  GLU 102           HG3      GLU 102  14.362  -6.435 -26.856
  754    H    ASP 103           H        ASP 103  17.469  -5.338 -23.449
  755    HA   ASP 103           HA       ASP 103  19.287  -4.628 -22.329
  756    HB2  ASP 103           HB2      ASP 103  19.845  -6.643 -21.510
  757    HB3  ASP 103           HB3      ASP 103  20.226  -7.356 -23.067
  758    HA   PRO 104           HA       PRO 104  21.563  -2.538 -25.576
  759    HB2  PRO 104           HB2      PRO 104  22.085  -0.265 -24.386
  760    HB3  PRO 104           HB3      PRO 104  20.392  -0.773 -24.680
  761    HG2  PRO 104           HG2      PRO 104  21.981  -1.098 -22.096
  762    HG3  PRO 104           HG3      PRO 104  20.371  -0.323 -22.303
  763    HD2  PRO 104           HD2      PRO 104  20.688  -2.957 -21.612
  764    HD3  PRO 104           HD3      PRO 104  19.330  -2.386 -22.619
  765    H    ASP 105           H        ASP 105  23.040  -4.018 -22.795
  766    HA   ASP 105           HA       ASP 105  25.399  -2.602 -22.458
  767    HB2  ASP 105           HB2      ASP 105  24.965  -4.379 -20.958
  768    HB3  ASP 105           HB3      ASP 105  24.923  -5.572 -22.266
  769    H    GLY 106           H        GLY 106  27.162  -2.202 -23.704
  770    HA2  GLY 106           HA2      GLY 106  28.832  -2.416 -25.235
  771    HA3  GLY 106           HA3      GLY 106  28.360  -4.108 -25.453
  772    H    GLN 107           H        GLN 107  25.580  -2.349 -26.084
  773    HA   GLN 107           HA       GLN 107  26.036  -2.392 -29.010
  774    HB2  GLN 107           HB2      GLN 107  23.429  -1.831 -27.583
  775    HB3  GLN 107           HB3      GLN 107  23.705  -2.293 -29.262
  776    HG2  GLN 107           HG2      GLN 107  24.739  -4.488 -27.999
  777    HG3  GLN 107           HG3      GLN 107  23.567  -3.952 -26.789
  778   HE21  GLN 107          HE22      GLN 107  21.669  -5.161 -26.948
  779   HE22  GLN 107          HE21      GLN 107  21.001  -5.715 -28.463
  780    H    SER 108           H        SER 108  24.966  -0.444 -30.190
  781    HA   SER 108           HA       SER 108  26.308   1.922 -29.395
  782    HB2  SER 108           HB2      SER 108  24.108   1.546 -31.464
  783    HB3  SER 108           HB3      SER 108  25.294   2.867 -31.415
  784    HG   SER 108           HG       SER 108  25.920   1.195 -32.884
  785    H    LEU 109           H        LEU 109  25.216   4.116 -29.145
  786    HA   LEU 109           HA       LEU 109  23.562   4.033 -26.830
  787    HB2  LEU 109           HB2      LEU 109  24.075   6.400 -28.663
  788    HB3  LEU 109           HB3      LEU 109  23.387   6.462 -27.043
  789    HG   LEU 109           HG       LEU 109  26.230   5.707 -27.798
  790   HD11  LEU 109          HD11      LEU 109  26.808   7.665 -26.439
  791   HD12  LEU 109          HD12      LEU 109  25.687   8.110 -27.737
  792   HD13  LEU 109          HD13      LEU 109  25.093   7.942 -26.068
  793   HD21  LEU 109          HD21      LEU 109  25.676   4.193 -25.991
  794   HD22  LEU 109          HD22      LEU 109  26.672   5.492 -25.347
  795   HD23  LEU 109          HD23      LEU 109  24.919   5.507 -25.058
  796    H    GLU 110           H        GLU 110  22.643   4.247 -30.232
  797    HA   GLU 110           HA       GLU 110  19.939   4.961 -29.928
  798    HB2  GLU 110           HB2      GLU 110  19.604   3.423 -31.958
  799    HB3  GLU 110           HB3      GLU 110  20.707   4.801 -32.131
  800    HG2  GLU 110           HG2      GLU 110  22.632   3.280 -31.896
  801    HG3  GLU 110           HG3      GLU 110  21.544   1.910 -31.657
  802    H    VAL 111           H        VAL 111  21.545   1.880 -29.200
  803    HA   VAL 111           HA       VAL 111  19.054   0.441 -28.932
  804    HB   VAL 111           HB       VAL 111  21.806  -0.370 -28.019
  805   HG11  VAL 111          HG11      VAL 111  19.891  -1.735 -27.135
  806   HG12  VAL 111          HG12      VAL 111  19.452  -2.122 -28.815
  807   HG13  VAL 111          HG13      VAL 111  21.021  -2.629 -28.141
  808   HG21  VAL 111          HG21      VAL 111  22.084   0.079 -30.352
  809   HG22  VAL 111          HG22      VAL 111  21.754  -1.659 -30.294
  810   HG23  VAL 111          HG23      VAL 111  20.467  -0.516 -30.752
  811    H    PHE 112           H        PHE 112  21.464   1.905 -26.632
  812    HA   PHE 112           HA       PHE 112  20.023   1.356 -24.225
  813    HB2  PHE 112           HB2      PHE 112  21.705   3.762 -25.050
  814    HB3  PHE 112           HB3      PHE 112  20.957   3.598 -23.474
  815    HD1  PHE 112           HD1      PHE 112  23.608   2.184 -25.693
  816    HD2  PHE 112           HD2      PHE 112  21.773   2.097 -21.787
  817    HE1  PHE 112           HE1      PHE 112  25.465   0.795 -24.848
  818    HE2  PHE 112           HE2      PHE 112  23.626   0.651 -20.969
  819    HZ   PHE 112           HZ       PHE 112  25.453  -0.012 -22.507
  820    H    ARG 113           H        ARG 113  19.649   4.103 -26.512
  821    HA   ARG 113           HA       ARG 113  17.508   5.301 -25.022
  822    HB2  ARG 113           HB2      ARG 113  18.486   5.584 -27.893
  823    HB3  ARG 113           HB3      ARG 113  17.244   6.628 -27.185
  824    HG2  ARG 113           HG2      ARG 113  18.738   7.487 -25.521
  825    HG3  ARG 113           HG3      ARG 113  19.968   6.279 -25.840
  826    HD2  ARG 113           HD2      ARG 113  20.427   7.220 -28.020
  827    HD3  ARG 113           HD3      ARG 113  19.141   8.436 -27.805
  828    HE   ARG 113           HE       ARG 113  20.701   8.847 -25.590
  829   HH11  ARG 113          HH11      ARG 113  21.472   8.753 -29.084
  830   HH12  ARG 113          HH12      ARG 113  22.810   9.834 -28.946
  831   HH21  ARG 113          HH21      ARG 113  22.357  10.350 -25.447
  832   HH22  ARG 113          HH22      ARG 113  23.347  10.761 -26.818
  833    H    THR 114           H        THR 114  17.451   2.870 -27.684
  834    HA   THR 114           HA       THR 114  14.628   2.750 -27.956
  835    HB   THR 114           HB       THR 114  17.024   0.961 -28.458
  836    HG1  THR 114           HG1      THR 114  16.786   2.502 -29.968
  837   HG21  THR 114          HG21      THR 114  15.575  -0.627 -29.660
  838   HG22  THR 114          HG22      THR 114  15.406  -0.654 -27.906
  839   HG23  THR 114          HG23      THR 114  14.151   0.144 -28.882
  840    H    VAL 115           H        VAL 115  16.960   0.864 -25.883
  841    HA   VAL 115           HA       VAL 115  14.853  -0.733 -24.881
  842    HB   VAL 115           HB       VAL 115  17.712  -0.423 -23.929
  843   HG11  VAL 115          HG11      VAL 115  15.533  -2.436 -23.163
  844   HG12  VAL 115          HG12      VAL 115  17.250  -2.702 -22.838
  845   HG13  VAL 115          HG13      VAL 115  16.422  -1.353 -22.056
  846   HG21  VAL 115          HG21      VAL 115  16.363  -2.675 -25.497
  847   HG22  VAL 115          HG22      VAL 115  17.312  -1.412 -26.268
  848   HG23  VAL 115          HG23      VAL 115  18.100  -2.509 -25.135
  849    H    ARG 116           H        ARG 116  16.173   2.372 -23.764
  850    HA   ARG 116           HA       ARG 116  14.820   2.446 -21.282
  851    HB2  ARG 116           HB2      ARG 116  15.313   4.686 -23.321
  852    HB3  ARG 116           HB3      ARG 116  14.544   4.938 -21.752
  853    HG2  ARG 116           HG2      ARG 116  16.650   3.844 -20.742
  854    HG3  ARG 116           HG3      ARG 116  17.432   4.150 -22.285
  855    HD2  ARG 116           HD2      ARG 116  16.017   6.356 -20.728
  856    HD3  ARG 116           HD3      ARG 116  17.652   5.860 -20.360
  857    HE   ARG 116           HE       ARG 116  18.493   6.896 -22.171
  858   HH11  ARG 116          HH11      ARG 116  14.942   6.999 -22.680
  859   HH12  ARG 116          HH12      ARG 116  15.033   8.391 -23.681
  860   HH21  ARG 116          HH21      ARG 116  18.555   8.782 -23.468
  861   HH22  ARG 116          HH22      ARG 116  17.084   9.383 -24.151
  862    H    GLY 117           H        GLY 117  13.552   3.272 -24.570
  863    HA2  GLY 117           HA2      GLY 117  10.890   3.854 -23.769
  864    HA3  GLY 117           HA3      GLY 117  11.419   3.336 -25.381
  865    H    GLN 118           H        GLN 118  12.352   0.769 -24.977
  866    HA   GLN 118           HA       GLN 118  10.036  -0.823 -24.954
  867    HB2  GLN 118           HB2      GLN 118  12.895  -1.645 -24.316
  868    HB3  GLN 118           HB3      GLN 118  11.561  -2.763 -24.613
  869    HG2  GLN 118           HG2      GLN 118  11.229  -1.735 -26.874
  870    HG3  GLN 118           HG3      GLN 118  12.688  -0.772 -26.619
  871   HE21  GLN 118          HE22      GLN 118  12.262  -2.726 -28.714
  872   HE22  GLN 118          HE21      GLN 118  13.504  -3.964 -28.505
  873    H    VAL 119           H        VAL 119  12.447  -0.400 -22.386
  874    HA   VAL 119           HA       VAL 119  11.067  -2.096 -20.503
  875    HB   VAL 119           HB       VAL 119  13.224   0.015 -20.054
  876   HG11  VAL 119          HG11      VAL 119  12.130  -2.203 -18.247
  877   HG12  VAL 119          HG12      VAL 119  13.648  -1.310 -17.958
  878   HG13  VAL 119          HG13      VAL 119  12.083  -0.464 -17.922
  879   HG21  VAL 119          HG21      VAL 119  13.846  -1.965 -21.542
  880   HG22  VAL 119          HG22      VAL 119  14.761  -1.889 -20.031
  881   HG23  VAL 119          HG23      VAL 119  13.392  -3.015 -20.207
  882    H    LYS 120           H        LYS 120  11.101   1.513 -20.934
  883    HA   LYS 120           HA       LYS 120   9.544   2.171 -18.692
  884    HB2  LYS 120           HB2      LYS 120  10.610   3.788 -20.338
  885    HB3  LYS 120           HB3      LYS 120   9.343   3.350 -21.514
  886    HG2  LYS 120           HG2      LYS 120   7.617   4.195 -19.890
  887    HG3  LYS 120           HG3      LYS 120   8.924   4.687 -18.796
  888    HD2  LYS 120           HD2      LYS 120   9.815   6.220 -20.524
  889    HD3  LYS 120           HD3      LYS 120   8.566   5.679 -21.664
  890    HE2  LYS 120           HE2      LYS 120   6.798   6.492 -20.077
  891    HE3  LYS 120           HE3      LYS 120   8.065   7.120 -19.010
  892    HZ1  LYS 120           HZ1      LYS 120   7.171   8.842 -20.458
  893    HZ2  LYS 120           HZ2      LYS 120   8.748   8.613 -20.817
  894    HZ3  LYS 120           HZ3      LYS 120   7.579   8.018 -21.807
  895    H    GLU 121           H        GLU 121   8.489   1.186 -22.002
  896    HA   GLU 121           HA       GLU 121   5.738   1.424 -21.486
  897    HB2  GLU 121           HB2      GLU 121   6.776   1.443 -23.671
  898    HB3  GLU 121           HB3      GLU 121   7.288  -0.240 -23.505
  899    HG2  GLU 121           HG2      GLU 121   4.966  -1.008 -23.434
  900    HG3  GLU 121           HG3      GLU 121   4.372   0.658 -23.445
  901    H    ARG 122           H        ARG 122   7.883  -1.489 -21.187
  902    HA   ARG 122           HA       ARG 122   5.734  -3.237 -20.400
  903    HB2  ARG 122           HB2      ARG 122   8.713  -3.461 -19.850
  904    HB3  ARG 122           HB3      ARG 122   7.498  -4.687 -19.462
  905    HG2  ARG 122           HG2      ARG 122   6.824  -4.375 -22.051
  906    HG3  ARG 122           HG3      ARG 122   8.502  -3.809 -22.175
  907    HD2  ARG 122           HD2      ARG 122   9.237  -5.931 -21.065
  908    HD3  ARG 122           HD3      ARG 122   7.539  -6.436 -21.002
  909    HE   ARG 122           HE       ARG 122   9.262  -6.132 -23.422
  910   HH11  ARG 122          HH12      ARG 122   6.170  -7.293 -22.075
  911   HH12  ARG 122          HH11      ARG 122   5.684  -8.086 -23.531
  912   HH21  ARG 122          HH21      ARG 122   8.630  -7.246 -25.330
  913   HH22  ARG 122          HH22      ARG 122   7.124  -8.081 -25.399
  914    H    VAL 123           H        VAL 123   8.009  -1.300 -18.405
  915    HA   VAL 123           HA       VAL 123   6.885  -2.162 -15.907
  916    HB   VAL 123           HB       VAL 123   8.394   0.331 -16.611
  917   HG11  VAL 123          HG11      VAL 123   9.020   0.409 -14.239
  918   HG12  VAL 123          HG12      VAL 123   7.273   0.590 -14.433
  919   HG13  VAL 123          HG13      VAL 123   7.937  -0.964 -13.893
  920   HG21  VAL 123          HG21      VAL 123  10.392  -0.816 -15.811
  921   HG22  VAL 123          HG22      VAL 123   9.443  -2.246 -15.350
  922   HG23  VAL 123          HG23      VAL 123   9.671  -1.836 -17.055
  923    H    GLU 124           H        GLU 124   6.012   0.574 -18.146
  924    HA   GLU 124           HA       GLU 124   4.006   1.709 -16.503
  925    HB2  GLU 124           HB2      GLU 124   4.457   1.639 -19.504
  926    HB3  GLU 124           HB3      GLU 124   2.936   2.243 -18.851
  927    HG2  GLU 124           HG2      GLU 124   4.233   3.867 -17.451
  928    HG3  GLU 124           HG3      GLU 124   5.685   3.405 -18.345
  929    H    ASN 125           H        ASN 125   3.837  -0.938 -18.880
  930    HA   ASN 125           HA       ASN 125   1.034  -1.311 -18.670
  931    HB2  ASN 125           HB2      ASN 125   2.405  -2.212 -20.530
  932    HB3  ASN 125           HB3      ASN 125   3.182  -3.345 -19.422
  933   HD21  ASN 125          HD22      ASN 125  -0.041  -2.434 -20.798
  934   HD22  ASN 125          HD21      ASN 125  -0.730  -4.027 -20.618
  935    H    LEU 126           H        LEU 126   3.721  -2.861 -16.869
  936    HA   LEU 126           HA       LEU 126   2.251  -4.600 -15.223
  937    HB2  LEU 126           HB2      LEU 126   4.646  -4.691 -15.381
  938    HB3  LEU 126           HB3      LEU 126   4.825  -3.012 -14.915
  939    HG   LEU 126           HG       LEU 126   3.996  -3.529 -12.630
  940   HD11  LEU 126          HD11      LEU 126   4.180  -6.417 -13.626
  941   HD12  LEU 126          HD12      LEU 126   3.932  -5.929 -11.941
  942   HD13  LEU 126          HD13      LEU 126   2.696  -5.564 -13.139
  943   HD21  LEU 126          HD21      LEU 126   6.445  -5.071 -13.537
  944   HD22  LEU 126          HD22      LEU 126   6.355  -3.346 -13.110
  945   HD23  LEU 126          HD23      LEU 126   6.066  -4.575 -11.868
  946    H    ILE 127           H        ILE 127   3.162  -1.132 -14.691
  947    HA   ILE 127           HA       ILE 127   1.947  -0.922 -12.081
  948    HB   ILE 127           HB       ILE 127   2.857   1.009 -14.262
  949   HG12  ILE 127          HG12      ILE 127   3.913   0.433 -11.475
  950   HG13  ILE 127          HG13      ILE 127   4.472  -0.479 -12.867
  951   HG21  ILE 127          HG21      ILE 127   1.071   2.171 -13.044
  952   HG22  ILE 127          HG22      ILE 127   1.812   1.730 -11.489
  953   HG23  ILE 127          HG23      ILE 127   2.632   2.846 -12.603
  954   HD11  ILE 127          HD11      ILE 127   4.809   2.488 -12.409
  955   HD12  ILE 127          HD12      ILE 127   6.067   1.238 -12.379
  956   HD13  ILE 127          HD13      ILE 127   5.242   1.644 -13.910
  957    H    ALA 128           H        ALA 128   0.818  -0.037 -15.401
  958    HA   ALA 128           HA       ALA 128  -1.673   0.954 -14.688
  959    HB1  ALA 128           HB1      ALA 128  -0.667   1.138 -16.939
  960    HB2  ALA 128           HB2      ALA 128  -0.930  -0.602 -17.202
  961    HB3  ALA 128           HB3      ALA 128  -2.315   0.490 -17.023
  962    H    LYS 129           H        LYS 129  -0.738  -2.518 -14.998
  963    HA   LYS 129           HA       LYS 129  -3.516  -3.267 -14.647
  964    HB2  LYS 129           HB2      LYS 129  -2.892  -5.560 -14.830
  965    HB3  LYS 129           HB3      LYS 129  -2.230  -4.599 -16.151
  966    HG2  LYS 129           HG2      LYS 129  -0.022  -4.599 -14.998
  967    HG3  LYS 129           HG3      LYS 129  -0.697  -5.604 -13.714
  968    HD2  LYS 129           HD2      LYS 129   0.604  -6.938 -15.234
  969    HD3  LYS 129           HD3      LYS 129  -1.103  -7.408 -15.399
  970    HE2  LYS 129           HE2      LYS 129  -1.237  -6.062 -17.489
  971    HE3  LYS 129           HE3      LYS 129   0.421  -5.496 -17.236
  972    HZ1  LYS 129           HZ1      LYS 129  -0.390  -8.283 -17.837
  973    HZ2  LYS 129           HZ2      LYS 129   0.445  -7.261 -18.805
  974    HZ3  LYS 129           HZ3      LYS 129   1.149  -7.860 -17.448
  975    H    ILE 130           H        ILE 130  -0.645  -3.134 -12.433
  976    HA   ILE 130           HA       ILE 130  -2.241  -4.399 -10.428
  977    HB   ILE 130           HB       ILE 130  -0.398  -4.244  -8.991
  978   HG12  ILE 130          HG12      ILE 130   0.880  -2.462 -11.067
  979   HG13  ILE 130          HG13      ILE 130   0.500  -2.071  -9.395
  980   HG21  ILE 130          HG21      ILE 130   1.046  -5.741 -10.145
  981   HG22  ILE 130          HG22      ILE 130  -0.573  -6.005 -10.782
  982   HG23  ILE 130          HG23      ILE 130   0.613  -5.079 -11.731
  983   HD11  ILE 130          HD11      ILE 130   2.603  -4.041 -10.320
  984   HD12  ILE 130          HD12      ILE 130   2.871  -2.433  -9.656
  985   HD13  ILE 130          HD13      ILE 130   2.183  -3.688  -8.604
  986    H    SER 131           H        SER 131  -1.348  -1.034 -11.060
  987    HA   SER 131           HA       SER 131  -2.283  -0.166  -8.477
  988    HB2  SER 131           HB2      SER 131  -0.869   1.246 -10.738
  989    HB3  SER 131           HB3      SER 131  -1.321   1.993  -9.187
  990    HG   SER 131           HG       SER 131   0.852   1.122  -9.161
  Start of MODEL   17
    1    H    MET   1           H        MET   1   2.246  -0.893   1.490
    2    HA   MET   1           HA       MET   1   1.908   0.524  -1.078
    3    HB2  MET   1           HB2      MET   1   4.104   0.652   0.811
    4    HB3  MET   1           HB3      MET   1   4.669  -0.239  -0.605
    5    HG2  MET   1           HG2      MET   1   4.366   1.510  -2.055
    6    HG3  MET   1           HG3      MET   1   3.239   2.386  -0.992
    7    HE1  MET   1           HE1      MET   1   6.182   3.180  -2.653
    8    HE2  MET   1           HE2      MET   1   4.906   4.308  -2.131
    9    HE3  MET   1           HE3      MET   1   6.585   4.547  -1.593
   10    H    LYS   2           H        LYS   2   2.358  -0.702  -2.988
   11    HA   LYS   2           HA       LYS   2   2.380  -3.666  -2.709
   12    HB2  LYS   2           HB2      LYS   2   2.673  -2.148  -5.310
   13    HB3  LYS   2           HB3      LYS   2   2.062  -3.761  -5.044
   14    HG2  LYS   2           HG2      LYS   2   0.023  -2.852  -3.951
   15    HG3  LYS   2           HG3      LYS   2   0.643  -1.208  -4.169
   16    HD2  LYS   2           HD2      LYS   2   0.790  -1.866  -6.711
   17    HD3  LYS   2           HD3      LYS   2  -0.383  -3.108  -6.277
   18    HE2  LYS   2           HE2      LYS   2  -0.706  -0.119  -5.640
   19    HE3  LYS   2           HE3      LYS   2  -1.246  -0.829  -7.152
   20    HZ1  LYS   2           HZ1      LYS   2  -2.772  -2.252  -5.919
   21    HZ2  LYS   2           HZ2      LYS   2  -2.267  -1.646  -4.473
   22    HZ3  LYS   2           HZ3      LYS   2  -3.050  -0.695  -5.546
   23    H    LYS   3           H        LYS   3   4.370  -4.657  -2.311
   24    HA   LYS   3           HA       LYS   3   6.805  -3.106  -2.921
   25    HB2  LYS   3           HB2      LYS   3   6.684  -5.921  -1.813
   26    HB3  LYS   3           HB3      LYS   3   8.088  -4.849  -1.892
   27    HG2  LYS   3           HG2      LYS   3   6.788  -3.201  -0.452
   28    HG3  LYS   3           HG3      LYS   3   5.558  -4.471  -0.240
   29    HD2  LYS   3           HD2      LYS   3   7.215  -5.957   0.770
   30    HD3  LYS   3           HD3      LYS   3   8.501  -4.735   0.531
   31    HE2  LYS   3           HE2      LYS   3   7.272  -3.114   1.901
   32    HE3  LYS   3           HE3      LYS   3   5.911  -4.236   2.062
   33    HZ1  LYS   3           HZ1      LYS   3   7.244  -4.386   4.041
   34    HZ2  LYS   3           HZ2      LYS   3   7.439  -5.797   3.207
   35    HZ3  LYS   3           HZ3      LYS   3   8.621  -4.662   3.200
   36    H    VAL   4           H        VAL   4   8.321  -3.606  -4.467
   37    HA   VAL   4           HA       VAL   4   7.360  -5.420  -6.614
   38    HB   VAL   4           HB       VAL   4   8.628  -2.792  -7.167
   39   HG11  VAL   4          HG11      VAL   4   6.644  -4.495  -8.735
   40   HG12  VAL   4          HG12      VAL   4   7.320  -2.959  -9.279
   41   HG13  VAL   4          HG13      VAL   4   8.376  -4.365  -9.065
   42   HG21  VAL   4          HG21      VAL   4   5.635  -3.104  -6.810
   43   HG22  VAL   4          HG22      VAL   4   6.730  -2.131  -5.793
   44   HG23  VAL   4          HG23      VAL   4   6.513  -1.695  -7.466
   45    H    MET   5           H        MET   5   8.870  -6.465  -7.790
   46    HA   MET   5           HA       MET   5  11.742  -5.740  -7.593
   47    HB2  MET   5           HB2      MET   5  10.719  -8.605  -7.457
   48    HB3  MET   5           HB3      MET   5  12.385  -8.121  -7.756
   49    HG2  MET   5           HG2      MET   5  12.051  -6.805  -5.465
   50    HG3  MET   5           HG3      MET   5  10.849  -8.069  -5.203
   51    HE1  MET   5           HE1      MET   5  13.749  -9.468  -3.039
   52    HE2  MET   5           HE2      MET   5  13.361  -7.739  -3.246
   53    HE3  MET   5           HE3      MET   5  12.054  -8.941  -3.142
   54    H    PHE   6           H        PHE   6  12.852  -6.005  -9.550
   55    HA   PHE   6           HA       PHE   6  11.547  -7.374 -11.816
   56    HB2  PHE   6           HB2      PHE   6  13.005  -4.709 -12.069
   57    HB3  PHE   6           HB3      PHE   6  12.328  -5.691 -13.360
   58    HD1  PHE   6           HD2      PHE   6  11.395  -3.657 -10.382
   59    HD2  PHE   6           HD1      PHE   6  10.154  -5.345 -14.150
   60    HE1  PHE   6           HE2      PHE   6   9.322  -2.305 -10.302
   61    HE2  PHE   6           HE1      PHE   6   8.081  -3.958 -14.083
   62    HZ   PHE   6           HZ       PHE   6   7.666  -2.443 -12.151
   63    H    VAL   7           H        VAL   7  12.993  -9.018 -12.239
   64    HA   VAL   7           HA       VAL   7  15.883  -8.449 -11.946
   65    HB   VAL   7           HB       VAL   7  15.267  -8.872  -9.713
   66   HG11  VAL   7          HG11      VAL   7  14.001 -10.884  -8.937
   67   HG12  VAL   7          HG12      VAL   7  13.038  -9.726  -9.847
   68   HG13  VAL   7          HG13      VAL   7  13.586 -11.231 -10.633
   69   HG21  VAL   7          HG21      VAL   7  16.260 -11.580 -10.671
   70   HG22  VAL   7          HG22      VAL   7  17.273 -10.132 -10.398
   71   HG23  VAL   7          HG23      VAL   7  16.402 -10.876  -9.050
   72    H    CYS   8           H        CYS   8  17.219 -10.087 -12.787
   73    HA   CYS   8           HA       CYS   8  16.069 -12.407 -14.151
   74    HB2  CYS   8           HB2      CYS   8  16.214 -10.708 -15.951
   75    HB3  CYS   8           HB3      CYS   8  17.867 -10.319 -15.477
   76    H    LYS   9           H        LYS   9  17.906 -14.027 -14.408
   77    HA   LYS   9           HA       LYS   9  19.724 -14.015 -12.209
   78    HB2  LYS   9           HB2      LYS   9  20.817 -15.916 -13.280
   79    HB3  LYS   9           HB3      LYS   9  19.068 -16.094 -13.293
   80    HG2  LYS   9           HG2      LYS   9  19.007 -15.456 -15.696
   81    HG3  LYS   9           HG3      LYS   9  20.767 -15.218 -15.681
   82    HD2  LYS   9           HD2      LYS   9  21.087 -17.604 -15.077
   83    HD3  LYS   9           HD3      LYS   9  19.327 -17.850 -15.142
   84    HE2  LYS   9           HE2      LYS   9  19.315 -17.190 -17.538
   85    HE3  LYS   9           HE3      LYS   9  21.047 -16.855 -17.469
   86    HZ1  LYS   9           HZ1      LYS   9  20.617 -19.028 -18.426
   87    HZ2  LYS   9           HZ2      LYS   9  21.439 -19.206 -17.034
   88    HZ3  LYS   9           HZ3      LYS   9  19.832 -19.542 -17.088
   89    H    ARG  10           H        ARG  10  21.949 -13.544 -12.117
   90    HA   ARG  10           HA       ARG  10  23.603 -11.983 -12.247
   91    HB2  ARG  10           HB2      ARG  10  23.478 -12.670 -15.208
   92    HB3  ARG  10           HB3      ARG  10  24.758 -11.726 -14.428
   93    HG2  ARG  10           HG2      ARG  10  25.239 -13.601 -12.899
   94    HG3  ARG  10           HG3      ARG  10  23.977 -14.577 -13.677
   95    HD2  ARG  10           HD2      ARG  10  25.235 -14.538 -15.795
   96    HD3  ARG  10           HD3      ARG  10  26.474 -13.498 -15.039
   97    HE   ARG  10           HE       ARG  10  25.972 -15.902 -13.513
   98   HH11  ARG  10          HH11      ARG  10  27.692 -14.918 -16.475
   99   HH12  ARG  10          HH12      ARG  10  28.975 -16.052 -16.259
  100   HH21  ARG  10          HH21      ARG  10  27.727 -17.205 -13.109
  101   HH22  ARG  10          HH22      ARG  10  28.962 -17.468 -14.317
  102    H    ASN  11           H        ASN  11  21.906 -10.573 -11.455
  103    HA   ASN  11           HA       ASN  11  20.126  -8.989 -12.353
  104    HB2  ASN  11           HB2      ASN  11  21.042  -8.771 -10.083
  105    HB3  ASN  11           HB3      ASN  11  22.359  -7.766 -10.724
  106   HD21  ASN  11          HD22      ASN  11  21.874  -5.493 -11.311
  107   HD22  ASN  11          HD21      ASN  11  20.299  -4.820 -10.936
  108    H    SER  12           H        SER  12  23.549  -7.981 -12.971
  109    HA   SER  12           HA       SER  12  23.120  -5.495 -13.990
  110    HB2  SER  12           HB2      SER  12  25.150  -7.440 -15.120
  111    HB3  SER  12           HB3      SER  12  25.330  -5.690 -14.829
  112    HG   SER  12           HG       SER  12  26.382  -6.989 -13.211
  113    H    SER  13           H        SER  13  22.720  -8.622 -15.777
  114    HA   SER  13           HA       SER  13  22.183  -7.316 -18.296
  115    HB2  SER  13           HB2      SER  13  21.496 -10.113 -17.313
  116    HB3  SER  13           HB3      SER  13  21.502  -9.554 -19.000
  117    HG   SER  13           HG       SER  13  23.472 -10.645 -18.434
  118    H    ARG  14           H        ARG  14  20.430  -6.191 -18.701
  119    HA   ARG  14           HA       ARG  14  18.490  -5.299 -18.861
  120    HB2  ARG  14           HB2      ARG  14  16.500  -6.587 -19.191
  121    HB3  ARG  14           HB3      ARG  14  17.867  -7.181 -20.100
  122    HG2  ARG  14           HG2      ARG  14  17.257  -8.525 -17.469
  123    HG3  ARG  14           HG3      ARG  14  16.140  -8.793 -18.795
  124    HD2  ARG  14           HD2      ARG  14  19.119  -9.239 -19.162
  125    HD3  ARG  14           HD3      ARG  14  18.024 -10.485 -18.547
  126    HE   ARG  14           HE       ARG  14  16.962  -9.357 -20.955
  127   HH11  ARG  14          HH12      ARG  14  19.513 -11.656 -19.926
  128   HH12  ARG  14          HH11      ARG  14  19.495 -12.497 -21.426
  129   HH21  ARG  14          HH21      ARG  14  16.946 -10.465 -22.857
  130   HH22  ARG  14          HH22      ARG  14  17.992 -11.823 -23.149
  131    H    SER  15           H        SER  15  18.827  -6.801 -15.693
  132    HA   SER  15           HA       SER  15  16.512  -5.344 -14.683
  133    HB2  SER  15           HB2      SER  15  18.673  -6.296 -12.856
  134    HB3  SER  15           HB3      SER  15  16.934  -6.219 -12.609
  135    HG   SER  15           HG       SER  15  18.417  -8.112 -14.155
  136    H    GLN  16           H        GLN  16  19.621  -4.316 -15.624
  137    HA   GLN  16           HA       GLN  16  19.808  -2.034 -13.911
  138    HB2  GLN  16           HB2      GLN  16  21.667  -1.416 -15.291
  139    HB3  GLN  16           HB3      GLN  16  21.735  -3.147 -14.926
  140    HG2  GLN  16           HG2      GLN  16  20.787  -3.595 -17.233
  141    HG3  GLN  16           HG3      GLN  16  20.877  -1.859 -17.550
  142   HE21  GLN  16          HE22      GLN  16  22.325  -3.781 -19.137
  143   HE22  GLN  16          HE21      GLN  16  24.004  -3.375 -18.932
  144    H    MET  17           H        MET  17  17.191  -2.144 -15.179
  145    HA   MET  17           HA       MET  17  17.114   0.593 -16.031
  146    HB2  MET  17           HB2      MET  17  17.579  -0.951 -18.158
  147    HB3  MET  17           HB3      MET  17  15.848  -1.184 -18.099
  148    HG2  MET  17           HG2      MET  17  17.436   1.366 -18.474
  149    HG3  MET  17           HG3      MET  17  16.264   0.651 -19.557
  150    HE1  MET  17           HE1      MET  17  16.765   3.812 -17.311
  151    HE2  MET  17           HE2      MET  17  15.425   3.665 -16.139
  152    HE3  MET  17           HE3      MET  17  16.816   2.583 -16.041
  153    H    ALA  18           H        ALA  18  15.045  -2.392 -16.064
  154    HA   ALA  18           HA       ALA  18  12.644  -1.014 -15.902
  155    HB1  ALA  18           HB1      ALA  18  11.647  -3.168 -15.263
  156    HB2  ALA  18           HB2      ALA  18  12.894  -3.417 -16.504
  157    HB3  ALA  18           HB3      ALA  18  13.243  -3.786 -14.794
  158    H    GLU  19           H        GLU  19  14.401  -2.308 -13.007
  159    HA   GLU  19           HA       GLU  19  12.393  -1.292 -11.218
  160    HB2  GLU  19           HB2      GLU  19  13.790  -1.970  -9.504
  161    HB3  GLU  19           HB3      GLU  19  14.170  -3.072 -10.803
  162    HG2  GLU  19           HG2      GLU  19  16.223  -2.579  -9.912
  163    HG3  GLU  19           HG3      GLU  19  16.189  -1.489 -11.300
  164    H    GLY  20           H        GLY  20  15.183   0.135 -12.767
  165    HA2  GLY  20           HA2      GLY  20  15.465   2.583 -11.449
  166    HA3  GLY  20           HA3      GLY  20  15.747   2.269 -13.171
  167    H    PHE  21           H        PHE  21  13.509   1.977 -14.480
  168    HA   PHE  21           HA       PHE  21  12.075   4.432 -14.196
  169    HB2  PHE  21           HB2      PHE  21  11.552   1.901 -15.739
  170    HB3  PHE  21           HB3      PHE  21  10.211   3.009 -15.523
  171    HD1  PHE  21           HD2      PHE  21  11.104   5.693 -15.725
  172    HD2  PHE  21           HD1      PHE  21  12.524   2.179 -17.780
  173    HE1  PHE  21           HE2      PHE  21  12.069   7.120 -17.539
  174    HE2  PHE  21           HE1      PHE  21  13.588   3.580 -19.496
  175    HZ   PHE  21           HZ       PHE  21  13.270   6.074 -19.447
  176    H    ALA  22           H        ALA  22  11.394   1.282 -12.692
  177    HA   ALA  22           HA       ALA  22   8.698   1.868 -12.177
  178    HB1  ALA  22           HB1      ALA  22   9.776  -0.356 -11.987
  179    HB2  ALA  22           HB2      ALA  22  10.577   0.161 -10.484
  180    HB3  ALA  22           HB3      ALA  22   8.803   0.048 -10.537
  181    H    LYS  23           H        LYS  23  11.604   2.765 -10.211
  182    HA   LYS  23           HA       LYS  23   9.937   3.826  -8.094
  183    HB2  LYS  23           HB2      LYS  23  11.888   4.747  -7.129
  184    HB3  LYS  23           HB3      LYS  23  12.315   3.173  -7.760
  185    HG2  LYS  23           HG2      LYS  23  12.892   5.285  -9.730
  186    HG3  LYS  23           HG3      LYS  23  13.607   5.674  -8.180
  187    HD2  LYS  23           HD2      LYS  23  14.066   3.112  -9.738
  188    HD3  LYS  23           HD3      LYS  23  15.144   4.504  -9.700
  189    HE2  LYS  23           HE2      LYS  23  15.249   4.114  -7.135
  190    HE3  LYS  23           HE3      LYS  23  14.410   2.570  -7.444
  191    HZ1  LYS  23           HZ1      LYS  23  16.265   1.834  -8.762
  192    HZ2  LYS  23           HZ2      LYS  23  17.024   3.267  -8.695
  193    HZ3  LYS  23           HZ3      LYS  23  16.857   2.353  -7.331
  194    H    THR  24           H        THR  24  10.848   5.144 -11.204
  195    HA   THR  24           HA       THR  24  10.156   7.874 -10.560
  196    HB   THR  24           HB       THR  24  11.168   6.296 -12.892
  197    HG1  THR  24           HG1      THR  24  12.558   7.289 -11.350
  198   HG21  THR  24          HG21      THR  24   9.966   9.063 -13.176
  199   HG22  THR  24          HG22      THR  24  11.098   8.297 -14.330
  200   HG23  THR  24          HG23      THR  24   9.515   7.564 -14.045
  201    H    LEU  25           H        LEU  25   8.696   5.259 -12.503
  202    HA   LEU  25           HA       LEU  25   6.355   6.808 -13.180
  203    HB2  LEU  25           HB2      LEU  25   6.961   3.829 -13.311
  204    HB3  LEU  25           HB3      LEU  25   5.540   4.561 -14.046
  205    HG   LEU  25           HG       LEU  25   8.421   5.232 -14.787
  206   HD11  LEU  25          HD11      LEU  25   6.428   3.315 -16.050
  207   HD12  LEU  25          HD12      LEU  25   7.969   3.808 -16.795
  208   HD13  LEU  25          HD13      LEU  25   7.960   2.902 -15.275
  209   HD21  LEU  25          HD21      LEU  25   5.783   5.890 -16.169
  210   HD22  LEU  25          HD22      LEU  25   6.882   7.048 -15.384
  211   HD23  LEU  25          HD23      LEU  25   7.402   6.196 -16.841
  212    H    GLY  26           H        GLY  26   7.093   4.353 -10.697
  213    HA2  GLY  26           HA2      GLY  26   4.311   4.292  -9.725
  214    HA3  GLY  26           HA3      GLY  26   5.662   3.229  -9.291
  215    H    ALA  27           H        ALA  27   6.512   6.569  -9.261
  216    HA   ALA  27           HA       ALA  27   7.461   6.581  -6.678
  217    HB1  ALA  27           HB1      ALA  27   6.429   8.963  -8.289
  218    HB2  ALA  27           HB2      ALA  27   7.535   9.047  -6.900
  219    HB3  ALA  27           HB3      ALA  27   8.056   8.262  -8.403
  220    H    GLY  28           H        GLY  28   6.544   6.590  -4.708
  221    HA2  GLY  28           HA2      GLY  28   5.132   7.082  -2.972
  222    HA3  GLY  28           HA3      GLY  28   4.197   8.138  -4.038
  223    H    LYS  29           H        LYS  29   4.137   5.339  -5.770
  224    HA   LYS  29           HA       LYS  29   1.547   4.483  -4.555
  225    HB2  LYS  29           HB2      LYS  29   2.703   3.758  -7.279
  226    HB3  LYS  29           HB3      LYS  29   1.076   3.421  -6.672
  227    HG2  LYS  29           HG2      LYS  29   0.648   5.883  -6.536
  228    HG3  LYS  29           HG3      LYS  29   2.247   6.180  -7.247
  229    HD2  LYS  29           HD2      LYS  29   1.574   4.803  -9.244
  230    HD3  LYS  29           HD3      LYS  29  -0.057   4.685  -8.577
  231    HE2  LYS  29           HE2      LYS  29   1.388   7.294  -9.259
  232    HE3  LYS  29           HE3      LYS  29   0.265   6.463 -10.333
  233    HZ1  LYS  29           HZ1      LYS  29  -1.490   6.795  -8.665
  234    HZ2  LYS  29           HZ2      LYS  29  -0.457   7.616  -7.684
  235    HZ3  LYS  29           HZ3      LYS  29  -0.860   8.214  -9.144
  236    H    ILE  30           H        ILE  30   4.670   3.141  -5.749
  237    HA   ILE  30           HA       ILE  30   4.195   0.655  -4.164
  238    HB   ILE  30           HB       ILE  30   4.728  -0.703  -6.115
  239   HG12  ILE  30          HG12      ILE  30   4.867   1.920  -7.662
  240   HG13  ILE  30          HG13      ILE  30   6.195   0.800  -7.381
  241   HG21  ILE  30          HG21      ILE  30   2.519   1.206  -6.964
  242   HG22  ILE  30          HG22      ILE  30   2.651  -0.533  -7.264
  243   HG23  ILE  30          HG23      ILE  30   2.342   0.064  -5.621
  244   HD11  ILE  30          HD11      ILE  30   3.777   0.400  -9.204
  245   HD12  ILE  30          HD12      ILE  30   5.502   0.485  -9.622
  246   HD13  ILE  30          HD13      ILE  30   4.874  -0.920  -8.756
  247    H    ALA  31           H        ALA  31   6.092  -0.599  -3.786
  248    HA   ALA  31           HA       ALA  31   8.450   1.203  -3.406
  249    HB1  ALA  31           HB1      ALA  31   7.134   0.585  -1.373
  250    HB2  ALA  31           HB2      ALA  31   7.448  -1.140  -1.710
  251    HB3  ALA  31           HB3      ALA  31   8.803  -0.059  -1.348
  252    H    VAL  32           H        VAL  32   9.807   0.625  -5.112
  253    HA   VAL  32           HA       VAL  32  10.150  -2.260  -5.717
  254    HB   VAL  32           HB       VAL  32   9.770  -0.736  -7.559
  255   HG11  VAL  32          HG11      VAL  32  10.780   1.356  -6.815
  256   HG12  VAL  32          HG12      VAL  32  12.400   0.620  -6.864
  257   HG13  VAL  32          HG13      VAL  32  11.478   0.840  -8.356
  258   HG21  VAL  32          HG21      VAL  32  12.587  -1.834  -7.600
  259   HG22  VAL  32          HG22      VAL  32  11.113  -2.806  -7.861
  260   HG23  VAL  32          HG23      VAL  32  11.540  -1.513  -9.001
  261    H    THR  33           H        THR  33  11.855  -3.456  -5.078
  262    HA   THR  33           HA       THR  33  14.412  -2.234  -4.386
  263    HB   THR  33           HB       THR  33  12.990  -4.149  -2.517
  264    HG1  THR  33           HG1      THR  33  13.187  -1.326  -2.358
  265   HG21  THR  33          HG21      THR  33  15.435  -4.325  -2.420
  266   HG22  THR  33          HG22      THR  33  15.582  -2.576  -2.157
  267   HG23  THR  33          HG23      THR  33  14.830  -3.618  -0.920
  268    H    SER  34           H        SER  34  15.279  -3.340  -6.212
  269    HA   SER  34           HA       SER  34  14.294  -6.110  -6.561
  270    HB2  SER  34           HB2      SER  34  15.734  -4.307  -8.524
  271    HB3  SER  34           HB3      SER  34  15.160  -5.957  -8.834
  272    HG   SER  34           HG       SER  34  13.555  -3.707  -8.043
  273    H    SER  35           H        SER  35  15.476  -7.071  -4.912
  274    HA   SER  35           HA       SER  35  18.334  -7.239  -4.818
  275    HB2  SER  35           HB2      SER  35  16.059  -9.074  -3.988
  276    HB3  SER  35           HB3      SER  35  17.760  -9.431  -3.653
  277    HG   SER  35           HG       SER  35  17.160  -8.419  -1.910
  278    H    GLY  36           H        GLY  36  19.424  -9.500  -5.307
  279    HA2  GLY  36           HA2      GLY  36  18.664 -10.626  -7.882
  280    HA3  GLY  36           HA3      GLY  36  20.217  -9.775  -7.793
  281    H    LEU  37           H        LEU  37  20.873 -12.184  -8.203
  282    HA   LEU  37           HA       LEU  37  21.005 -13.713  -5.701
  283    HB2  LEU  37           HB2      LEU  37  20.125 -14.471  -8.456
  284    HB3  LEU  37           HB3      LEU  37  20.824 -15.715  -7.400
  285    HG   LEU  37           HG       LEU  37  18.647 -13.941  -6.287
  286   HD11  LEU  37          HD11      LEU  37  18.151 -16.255  -8.208
  287   HD12  LEU  37          HD12      LEU  37  16.878 -15.455  -7.233
  288   HD13  LEU  37          HD13      LEU  37  17.756 -14.547  -8.474
  289   HD21  LEU  37          HD21      LEU  37  18.057 -16.105  -5.129
  290   HD22  LEU  37          HD22      LEU  37  19.368 -16.912  -5.998
  291   HD23  LEU  37          HD23      LEU  37  19.733 -15.620  -4.832
  292    H    GLU  38           H        GLU  38  22.396 -14.549  -8.840
  293    HA   GLU  38           HA       GLU  38  24.996 -14.827  -7.787
  294    HB2  GLU  38           HB2      GLU  38  23.665 -15.490 -10.154
  295    HB3  GLU  38           HB3      GLU  38  24.828 -14.274 -10.703
  296    HG2  GLU  38           HG2      GLU  38  26.604 -15.588  -9.426
  297    HG3  GLU  38           HG3      GLU  38  25.367 -16.826  -9.151
  298    H    SER  39           H        SER  39  23.330 -12.031  -9.021
  299    HA   SER  39           HA       SER  39  25.535 -10.222  -8.344
  300    HB2  SER  39           HB2      SER  39  24.105  -9.780 -10.959
  301    HB3  SER  39           HB3      SER  39  25.653  -9.114 -10.454
  302    HG   SER  39           HG       SER  39  26.574 -11.219 -10.791
  303    H    SER  40           H        SER  40  24.467  -7.899  -8.962
  304    HA   SER  40           HA       SER  40  21.737  -7.578  -8.058
  305    HB2  SER  40           HB2      SER  40  24.030  -7.711  -6.097
  306    HB3  SER  40           HB3      SER  40  22.663  -6.605  -5.769
  307    HG   SER  40           HG       SER  40  22.410  -9.399  -6.305
  308    H    ARG  41           H        ARG  41  24.918  -6.265  -8.929
  309    HA   ARG  41           HA       ARG  41  23.760  -3.532  -8.968
  310    HB2  ARG  41           HB2      ARG  41  26.221  -4.381  -7.993
  311    HB3  ARG  41           HB3      ARG  41  26.640  -3.749  -9.583
  312    HG2  ARG  41           HG2      ARG  41  25.548  -1.600  -9.042
  313    HG3  ARG  41           HG3      ARG  41  24.943  -2.263  -7.519
  314    HD2  ARG  41           HD2      ARG  41  27.288  -2.576  -6.738
  315    HD3  ARG  41           HD3      ARG  41  27.863  -1.791  -8.231
  316    HE   ARG  41           HE       ARG  41  25.913  -0.116  -7.018
  317   HH11  ARG  41          HH22      ARG  41  29.224  -1.238  -6.318
  318   HH12  ARG  41          HH21      ARG  41  29.632   0.136  -5.352
  319   HH21  ARG  41          HH11      ARG  41  26.452   1.688  -5.735
  320   HH22  ARG  41          HH12      ARG  41  28.019   1.845  -5.025
  321    H    VAL  42           H        VAL  42  25.466  -2.518 -11.025
  322    HA   VAL  42           HA       VAL  42  24.245  -3.749 -13.416
  323    HB   VAL  42           HB       VAL  42  23.581  -1.527 -14.055
  324   HG11  VAL  42          HG11      VAL  42  22.093  -3.003 -12.554
  325   HG12  VAL  42          HG12      VAL  42  22.514  -1.881 -11.231
  326   HG13  VAL  42          HG13      VAL  42  21.708  -1.284 -12.689
  327   HG21  VAL  42          HG21      VAL  42  24.546  -0.497 -11.364
  328   HG22  VAL  42          HG22      VAL  42  25.218  -0.104 -12.972
  329   HG23  VAL  42          HG23      VAL  42  23.580   0.400 -12.561
  330    H    HIS  43           H        HIS  43  25.101  -2.480 -15.443
  331    HA   HIS  43           HA       HIS  43  28.045  -2.495 -15.391
  332    HB2  HIS  43           HB2      HIS  43  25.994  -2.258 -17.638
  333    HB3  HIS  43           HB3      HIS  43  27.719  -2.229 -17.891
  334    HD1  HIS  43           HD1      HIS  43  29.076  -4.575 -17.356
  335    HD2  HIS  43           HD2      HIS  43  24.869  -4.693 -17.304
  336    HE1  HIS  43           HE1      HIS  43  28.419  -7.032 -17.462
  337    HA   PRO  44           HA       PRO  44  28.606   1.787 -14.930
  338    HB2  PRO  44           HB2      PRO  44  30.493   2.540 -16.832
  339    HB3  PRO  44           HB3      PRO  44  30.855   1.594 -15.356
  340    HG2  PRO  44           HG2      PRO  44  30.260   0.516 -18.150
  341    HG3  PRO  44           HG3      PRO  44  31.651   0.112 -17.078
  342    HD2  PRO  44           HD2      PRO  44  29.547  -1.498 -17.126
  343    HD3  PRO  44           HD3      PRO  44  30.208  -1.033 -15.534
  344    H    THR  45           H        THR  45  28.488   1.273 -18.535
  345    HA   THR  45           HA       THR  45  27.640   3.866 -19.098
  346    HB   THR  45           HB       THR  45  27.120   1.427 -20.741
  347    HG1  THR  45           HG1      THR  45  29.258   1.624 -21.455
  348   HG21  THR  45          HG21      THR  45  27.602   2.939 -22.681
  349   HG22  THR  45          HG22      THR  45  26.182   3.448 -21.768
  350   HG23  THR  45          HG23      THR  45  27.722   4.308 -21.549
  351    H    ALA  46           H        ALA  46  25.708   1.106 -18.019
  352    HA   ALA  46           HA       ALA  46  23.152   2.016 -18.822
  353    HB1  ALA  46           HB1      ALA  46  23.794   0.677 -16.105
  354    HB2  ALA  46           HB2      ALA  46  22.263   0.648 -16.977
  355    HB3  ALA  46           HB3      ALA  46  23.660  -0.210 -17.658
  356    H    ILE  47           H        ILE  47  25.056   2.717 -15.886
  357    HA   ILE  47           HA       ILE  47  22.986   4.211 -14.661
  358    HB   ILE  47           HB       ILE  47  26.051   4.403 -14.377
  359   HG12  ILE  47          HG12      ILE  47  24.158   3.017 -12.449
  360   HG13  ILE  47          HG13      ILE  47  24.870   2.162 -13.814
  361   HG21  ILE  47          HG21      ILE  47  25.162   6.456 -13.472
  362   HG22  ILE  47          HG22      ILE  47  23.881   5.590 -12.604
  363   HG23  ILE  47          HG23      ILE  47  25.574   5.431 -12.098
  364   HD11  ILE  47          HD11      ILE  47  27.135   2.636 -13.000
  365   HD12  ILE  47          HD12      ILE  47  26.466   3.499 -11.597
  366   HD13  ILE  47          HD13      ILE  47  26.168   1.774 -11.784
  367    H    ALA  48           H        ALA  48  25.618   5.250 -16.862
  368    HA   ALA  48           HA       ALA  48  25.040   8.008 -16.612
  369    HB1  ALA  48           HB1      ALA  48  27.144   7.182 -17.617
  370    HB2  ALA  48           HB2      ALA  48  26.244   6.472 -18.981
  371    HB3  ALA  48           HB3      ALA  48  26.295   8.236 -18.765
  372    H    MET  49           H        MET  49  23.758   5.575 -18.945
  373    HA   MET  49           HA       MET  49  22.174   7.486 -20.420
  374    HB2  MET  49           HB2      MET  49  21.965   4.451 -20.047
  375    HB3  MET  49           HB3      MET  49  21.032   5.367 -21.235
  376    HG2  MET  49           HG2      MET  49  24.078   5.326 -21.117
  377    HG3  MET  49           HG3      MET  49  23.127   4.304 -22.153
  378    HE1  MET  49           HE1      MET  49  25.483   6.417 -22.810
  379    HE2  MET  49           HE2      MET  49  24.949   8.033 -23.334
  380    HE3  MET  49           HE3      MET  49  24.830   7.568 -21.619
  381    H    MET  50           H        MET  50  21.558   5.441 -17.594
  382    HA   MET  50           HA       MET  50  18.711   5.965 -17.670
  383    HB2  MET  50           HB2      MET  50  20.297   4.728 -15.403
  384    HB3  MET  50           HB3      MET  50  18.560   4.663 -15.662
  385    HG2  MET  50           HG2      MET  50  20.658   2.957 -16.768
  386    HG3  MET  50           HG3      MET  50  19.008   2.598 -16.427
  387    HE1  MET  50           HE1      MET  50  20.976   1.484 -18.951
  388    HE2  MET  50           HE2      MET  50  19.427   0.809 -18.418
  389    HE3  MET  50           HE3      MET  50  19.662   1.292 -20.128
  390    H    GLU  51           H        GLU  51  21.584   7.365 -16.044
  391    HA   GLU  51           HA       GLU  51  20.062   9.168 -14.440
  392    HB2  GLU  51           HB2      GLU  51  22.347   8.467 -13.865
  393    HB3  GLU  51           HB3      GLU  51  22.962   9.254 -15.335
  394    HG2  GLU  51           HG2      GLU  51  22.308  11.445 -14.474
  395    HG3  GLU  51           HG3      GLU  51  21.494  10.697 -13.094
  396    H    GLU  52           H        GLU  52  21.068   9.069 -17.821
  397    HA   GLU  52           HA       GLU  52  20.696  11.868 -18.240
  398    HB2  GLU  52           HB2      GLU  52  20.786   9.536 -20.149
  399    HB3  GLU  52           HB3      GLU  52  20.288  11.123 -20.710
  400    HG2  GLU  52           HG2      GLU  52  22.873  10.744 -19.166
  401    HG3  GLU  52           HG3      GLU  52  22.782  10.471 -20.902
  402    H    VAL  53           H        VAL  53  18.440   9.125 -18.056
  403    HA   VAL  53           HA       VAL  53  16.261  11.118 -18.349
  404    HB   VAL  53           HB       VAL  53  14.750   9.427 -18.644
  405   HG11  VAL  53          HG11      VAL  53  16.161  10.154 -20.562
  406   HG12  VAL  53          HG12      VAL  53  17.163   8.702 -20.333
  407   HG13  VAL  53          HG13      VAL  53  15.434   8.556 -20.755
  408   HG21  VAL  53          HG21      VAL  53  15.323   7.653 -17.208
  409   HG22  VAL  53          HG22      VAL  53  15.320   7.008 -18.831
  410   HG23  VAL  53          HG23      VAL  53  16.881   7.370 -18.047
  411    H    GLY  54           H        GLY  54  18.175  10.774 -15.992
  412    HA2  GLY  54           HA2      GLY  54  17.939  11.701 -13.925
  413    HA3  GLY  54           HA3      GLY  54  16.183  11.671 -14.090
  414    H    ILE  55           H        ILE  55  17.801   8.617 -14.556
  415    HA   ILE  55           HA       ILE  55  16.421   7.561 -12.184
  416    HB   ILE  55           HB       ILE  55  17.772   6.252 -14.461
  417   HG12  ILE  55          HG12      ILE  55  15.779   7.641 -15.120
  418   HG13  ILE  55          HG13      ILE  55  15.756   5.959 -15.612
  419   HG21  ILE  55          HG21      ILE  55  16.018   4.977 -12.372
  420   HG22  ILE  55          HG22      ILE  55  16.409   4.226 -13.944
  421   HG23  ILE  55          HG23      ILE  55  17.699   4.581 -12.804
  422   HD11  ILE  55          HD11      ILE  55  14.323   6.943 -13.119
  423   HD12  ILE  55          HD12      ILE  55  13.584   6.894 -14.755
  424   HD13  ILE  55          HD13      ILE  55  14.137   5.403 -13.970
  425    H    ASP  56           H        ASP  56  17.397   6.180 -10.653
  426    HA   ASP  56           HA       ASP  56  20.381   6.029 -10.614
  427    HB2  ASP  56           HB2      ASP  56  19.502   7.256  -8.661
  428    HB3  ASP  56           HB3      ASP  56  18.467   5.879  -8.258
  429    H    ILE  57           H        ILE  57  21.063   4.026 -10.982
  430    HA   ILE  57           HA       ILE  57  19.453   1.658 -10.210
  431    HB   ILE  57           HB       ILE  57  20.667   0.536 -12.212
  432   HG12  ILE  57          HG12      ILE  57  20.451   3.278 -13.466
  433   HG13  ILE  57          HG13      ILE  57  21.945   2.676 -12.743
  434   HG21  ILE  57          HG21      ILE  57  18.239   0.591 -12.017
  435   HG22  ILE  57          HG22      ILE  57  18.209   2.228 -12.728
  436   HG23  ILE  57          HG23      ILE  57  18.742   0.813 -13.684
  437   HD11  ILE  57          HD11      ILE  57  22.024   2.228 -15.071
  438   HD12  ILE  57          HD12      ILE  57  21.863   0.677 -14.232
  439   HD13  ILE  57          HD13      ILE  57  20.462   1.427 -15.033
  440    H    SER  58           H        SER  58  22.567   3.250 -10.680
  441    HA   SER  58           HA       SER  58  24.518   1.652  -9.907
  442    HB2  SER  58           HB2      SER  58  24.271   4.127  -8.273
  443    HB3  SER  58           HB3      SER  58  25.520   3.687  -9.453
  444    HG   SER  58           HG       SER  58  24.159   5.532 -10.009
  445    H    GLY  59           H        GLY  59  21.977   2.870  -7.699
  446    HA2  GLY  59           HA2      GLY  59  23.131   1.543  -5.350
  447    HA3  GLY  59           HA3      GLY  59  21.728   2.616  -5.424
  448    H    GLN  60           H        GLN  60  21.678  -0.062  -7.774
  449    HA   GLN  60           HA       GLN  60  19.301  -1.108  -6.652
  450    HB2  GLN  60           HB2      GLN  60  21.286  -2.043  -8.734
  451    HB3  GLN  60           HB3      GLN  60  20.187  -3.245  -8.066
  452    HG2  GLN  60           HG2      GLN  60  18.237  -1.890  -8.593
  453    HG3  GLN  60           HG3      GLN  60  19.234  -0.542  -9.132
  454   HE21  GLN  60          HE21      GLN  60  18.111  -3.854 -10.021
  455   HE22  GLN  60          HE22      GLN  60  18.191  -3.412 -11.724
  456    H    THR  61           H        THR  61  22.646  -1.825  -5.799
  457    HA   THR  61           HA       THR  61  22.218  -4.455  -5.075
  458    HB   THR  61           HB       THR  61  24.317  -3.603  -3.418
  459    HG1  THR  61           HG1      THR  61  24.467  -1.519  -4.046
  460   HG21  THR  61          HG21      THR  61  24.565  -5.419  -4.956
  461   HG22  THR  61          HG22      THR  61  24.382  -4.322  -6.350
  462   HG23  THR  61          HG23      THR  61  25.820  -4.226  -5.306
  463    H    SER  62           H        SER  62  21.317  -5.428  -3.271
  464    HA   SER  62           HA       SER  62  20.656  -3.801  -0.873
  465    HB2  SER  62           HB2      SER  62  18.342  -4.863  -1.033
  466    HB3  SER  62           HB3      SER  62  18.699  -3.560  -2.180
  467    HG   SER  62           HG       SER  62  17.829  -5.924  -2.818
  468    H    ASP  63           H        ASP  63  19.899  -7.079  -2.146
  469    HA   ASP  63           HA       ASP  63  21.509  -8.383  -0.099
  470    HB2  ASP  63           HB2      ASP  63  19.897  -8.793   1.394
  471    HB3  ASP  63           HB3      ASP  63  18.840  -7.665   0.560
  472    HA   PRO  64           HA       PRO  64  21.406 -11.647  -3.186
  473    HB2  PRO  64           HB2      PRO  64  21.320 -13.617  -0.911
  474    HB3  PRO  64           HB3      PRO  64  22.453 -13.530  -2.295
  475    HG2  PRO  64           HG2      PRO  64  23.196 -12.704   0.180
  476    HG3  PRO  64           HG3      PRO  64  23.653 -11.729  -1.265
  477    HD2  PRO  64           HD2      PRO  64  21.305 -11.333   0.618
  478    HD3  PRO  64           HD3      PRO  64  22.518 -10.144   0.057
  479    H    ILE  65           H        ILE  65  18.669 -10.751  -2.244
  480    HA   ILE  65           HA       ILE  65  16.568 -11.126  -2.360
  481    HB   ILE  65           HB       ILE  65  17.371 -12.507  -4.532
  482   HG12  ILE  65          HG12      ILE  65  14.511 -12.269  -3.550
  483   HG13  ILE  65          HG13      ILE  65  15.445 -11.001  -4.319
  484   HG21  ILE  65          HG21      ILE  65  16.275 -14.662  -4.707
  485   HG22  ILE  65          HG22      ILE  65  17.319 -14.729  -3.296
  486   HG23  ILE  65          HG23      ILE  65  15.577 -14.505  -3.088
  487   HD11  ILE  65          HD11      ILE  65  15.651 -12.394  -6.381
  488   HD12  ILE  65          HD12      ILE  65  14.532 -13.568  -5.642
  489   HD13  ILE  65          HD13      ILE  65  13.986 -11.920  -5.971
  490    H    GLU  66           H        GLU  66  18.472 -13.597  -0.877
  491    HA   GLU  66           HA       GLU  66  16.575 -15.218   0.185
  492    HB2  GLU  66           HB2      GLU  66  18.923 -15.710  -0.303
  493    HB3  GLU  66           HB3      GLU  66  19.471 -14.407   0.769
  494    HG2  GLU  66           HG2      GLU  66  18.735 -15.537   2.687
  495    HG3  GLU  66           HG3      GLU  66  17.916 -16.790   1.722
  496    H    ASN  67           H        ASN  67  17.795 -12.170   1.509
  497    HA   ASN  67           HA       ASN  67  17.168 -12.761   4.241
  498    HB2  ASN  67           HB2      ASN  67  17.607 -10.106   2.826
  499    HB3  ASN  67           HB3      ASN  67  17.264 -10.233   4.539
  500   HD21  ASN  67          HD22      ASN  67  19.629 -11.181   2.049
  501   HD22  ASN  67          HD21      ASN  67  20.965 -11.469   3.178
  502    H    PHE  68           H        PHE  68  15.110 -12.005   1.597
  503    HA   PHE  68           HA       PHE  68  12.946 -10.925   3.325
  504    HB2  PHE  68           HB2      PHE  68  13.253 -11.032   0.299
  505    HB3  PHE  68           HB3      PHE  68  11.906 -10.300   1.161
  506    HD1  PHE  68           HD2      PHE  68  12.542  -8.562   2.985
  507    HD2  PHE  68           HD1      PHE  68  15.086  -9.729  -0.255
  508    HE1  PHE  68           HE2      PHE  68  13.859  -6.422   3.272
  509    HE2  PHE  68           HE1      PHE  68  16.325  -7.527  -0.073
  510    HZ   PHE  68           HZ       PHE  68  15.790  -5.960   1.728
  511    H    ASN  69           H        ASN  69  10.760 -11.635   2.882
  512    HA   ASN  69           HA       ASN  69  10.647 -14.415   2.065
  513    HB2  ASN  69           HB2      ASN  69   9.509 -13.728   4.273
  514    HB3  ASN  69           HB3      ASN  69   8.366 -12.824   3.235
  515   HD21  ASN  69          HD22      ASN  69   7.459 -14.872   4.995
  516   HD22  ASN  69          HD21      ASN  69   6.878 -16.193   4.009
  517    H    ALA  70           H        ALA  70   9.317 -14.891   0.157
  518    HA   ALA  70           HA       ALA  70   9.158 -12.574  -1.548
  519    HB1  ALA  70           HB1      ALA  70   8.286 -15.420  -2.180
  520    HB2  ALA  70           HB2      ALA  70   8.725 -14.143  -3.337
  521    HB3  ALA  70           HB3      ALA  70   9.973 -14.896  -2.337
  522    H    ASP  71           H        ASP  71   7.169 -14.634   0.474
  523    HA   ASP  71           HA       ASP  71   4.728 -14.007  -0.728
  524    HB2  ASP  71           HB2      ASP  71   5.048 -15.906   0.829
  525    HB3  ASP  71           HB3      ASP  71   5.353 -14.776   2.157
  526    H    ASP  72           H        ASP  72   6.807 -12.071   1.307
  527    HA   ASP  72           HA       ASP  72   4.793 -10.326   2.381
  528    HB2  ASP  72           HB2      ASP  72   7.065 -10.648   3.394
  529    HB3  ASP  72           HB3      ASP  72   7.753  -9.836   1.975
  530    H    TYR  73           H        TYR  73   6.601 -10.584  -0.607
  531    HA   TYR  73           HA       TYR  73   6.141  -7.864  -1.440
  532    HB2  TYR  73           HB2      TYR  73   7.452 -10.253  -2.759
  533    HB3  TYR  73           HB3      TYR  73   6.983  -8.855  -3.704
  534    HD1  TYR  73           HD1      TYR  73   8.839  -9.611  -0.484
  535    HD2  TYR  73           HD2      TYR  73   8.563  -7.179  -4.045
  536    HE1  TYR  73           HE1      TYR  73  10.841  -8.350   0.224
  537    HE2  TYR  73           HE2      TYR  73  10.590  -5.931  -3.346
  538    HH   TYR  73           HH       TYR  73  12.246  -5.687  -1.709
  539    H    ASP  74           H        ASP  74   4.729  -7.154  -3.055
  540    HA   ASP  74           HA       ASP  74   2.353  -8.888  -3.464
  541    HB2  ASP  74           HB2      ASP  74   2.053  -6.598  -2.561
  542    HB3  ASP  74           HB3      ASP  74   2.740  -5.937  -4.046
  543    H    VAL  75           H        VAL  75   4.974  -7.224  -5.256
  544    HA   VAL  75           HA       VAL  75   4.056  -8.518  -7.762
  545    HB   VAL  75           HB       VAL  75   5.273  -5.755  -7.422
  546   HG11  VAL  75          HG11      VAL  75   5.624  -6.789  -9.604
  547   HG12  VAL  75          HG12      VAL  75   3.901  -7.111  -9.776
  548   HG13  VAL  75          HG13      VAL  75   4.483  -5.437  -9.739
  549   HG21  VAL  75          HG21      VAL  75   3.000  -4.833  -7.943
  550   HG22  VAL  75          HG22      VAL  75   2.329  -6.425  -7.537
  551   HG23  VAL  75          HG23      VAL  75   3.198  -5.471  -6.318
  552    H    VAL  76           H        VAL  76   5.638  -9.602  -8.861
  553    HA   VAL  76           HA       VAL  76   8.429  -8.727  -8.575
  554    HB   VAL  76           HB       VAL  76   7.336 -11.449  -7.945
  555   HG11  VAL  76          HG11      VAL  76   9.795 -12.151  -7.669
  556   HG12  VAL  76          HG12      VAL  76   9.324 -11.831  -9.338
  557   HG13  VAL  76          HG13      VAL  76  10.261 -10.624  -8.432
  558   HG21  VAL  76          HG21      VAL  76   9.291  -9.843  -6.201
  559   HG22  VAL  76          HG22      VAL  76   7.554  -9.839  -5.955
  560   HG23  VAL  76          HG23      VAL  76   8.420 -11.334  -5.797
  561    H    ILE  77           H        ILE  77   9.460  -8.978 -10.511
  562    HA   ILE  77           HA       ILE  77   7.925 -10.119 -12.795
  563    HB   ILE  77           HB       ILE  77   9.601  -7.594 -12.592
  564   HG12  ILE  77          HG12      ILE  77   7.563  -7.211 -11.315
  565   HG13  ILE  77          HG13      ILE  77   7.594  -6.236 -12.756
  566   HG21  ILE  77          HG21      ILE  77   8.028  -8.739 -14.912
  567   HG22  ILE  77          HG22      ILE  77   8.562  -7.045 -14.836
  568   HG23  ILE  77          HG23      ILE  77   9.756  -8.355 -14.816
  569   HD11  ILE  77          HD11      ILE  77   5.377  -7.305 -12.150
  570   HD12  ILE  77          HD12      ILE  77   5.911  -7.500 -13.823
  571   HD13  ILE  77          HD13      ILE  77   6.049  -8.851 -12.663
  572    H    SER  78           H        SER  78   9.101 -11.603 -13.919
  573    HA   SER  78           HA       SER  78  12.030 -11.596 -13.557
  574    HB2  SER  78           HB2      SER  78  10.158 -13.647 -14.773
  575    HB3  SER  78           HB3      SER  78  11.930 -13.716 -14.887
  576    HG   SER  78           HG       SER  78  11.275 -14.895 -13.059
  577    H    LEU  79           H        LEU  79  13.072 -10.374 -14.900
  578    HA   LEU  79           HA       LEU  79  11.839  -9.243 -17.303
  579    HB2  LEU  79           HB2      LEU  79  14.622  -9.035 -16.083
  580    HB3  LEU  79           HB3      LEU  79  14.105  -8.115 -17.498
  581    HG   LEU  79           HG       LEU  79  12.638  -7.865 -14.826
  582   HD11  LEU  79          HD11      LEU  79  14.958  -6.280 -16.022
  583   HD12  LEU  79          HD12      LEU  79  14.102  -5.848 -14.532
  584   HD13  LEU  79          HD13      LEU  79  15.051  -7.333 -14.579
  585   HD21  LEU  79          HD21      LEU  79  11.427  -7.073 -16.866
  586   HD22  LEU  79          HD22      LEU  79  11.872  -5.754 -15.791
  587   HD23  LEU  79          HD23      LEU  79  12.813  -6.036 -17.270
  588    H    CYS  80           H        CYS  80  13.333 -12.171 -16.684
  589    HA   CYS  80           HA       CYS  80  13.567 -12.666 -19.516
  590    HB2  CYS  80           HB2      CYS  80  15.671 -13.857 -19.354
  591    HB3  CYS  80           HB3      CYS  80  15.903 -12.175 -18.910
  592    H    GLY  81           H        GLY  81  12.497 -14.505 -19.890
  593    HA2  GLY  81           HA2      GLY  81  11.373 -16.469 -19.629
  594    HA3  GLY  81           HA3      GLY  81  12.780 -16.921 -18.674
  595    H    SER  82           H        SER  82  11.484 -18.332 -17.505
  596    HA   SER  82           HA       SER  82   9.975 -17.149 -15.249
  597    HB2  SER  82           HB2      SER  82   9.117 -19.666 -16.745
  598    HB3  SER  82           HB3      SER  82   8.312 -18.915 -15.361
  599    HG   SER  82           HG       SER  82   7.330 -18.423 -17.426
  600    H    GLY  83           H        GLY  83  10.563 -18.174 -13.299
  601    HA2  GLY  83           HA2      GLY  83  11.715 -19.603 -11.875
  602    HA3  GLY  83           HA3      GLY  83  12.019 -20.698 -13.226
  603    H    VAL  84           H        VAL  84  13.668 -19.909 -14.853
  604    HA   VAL  84           HA       VAL  84  15.873 -19.580 -15.213
  605    HB   VAL  84           HB       VAL  84  16.480 -17.225 -15.392
  606   HG11  VAL  84          HG11      VAL  84  13.637 -17.737 -16.287
  607   HG12  VAL  84          HG12      VAL  84  14.815 -16.625 -17.005
  608   HG13  VAL  84          HG13      VAL  84  15.091 -18.370 -17.089
  609   HG21  VAL  84          HG21      VAL  84  13.807 -16.525 -14.110
  610   HG22  VAL  84          HG22      VAL  84  15.390 -16.302 -13.325
  611   HG23  VAL  84          HG23      VAL  84  14.993 -15.414 -14.805
  612    H    ASN  85           H        ASN  85  15.519 -20.699 -12.676
  613    HA   ASN  85           HA       ASN  85  16.845 -21.584 -11.119
  614    HB2  ASN  85           HB2      ASN  85  18.751 -21.292 -12.736
  615    HB3  ASN  85           HB3      ASN  85  19.113 -19.753 -11.942
  616   HD21  ASN  85          HD22      ASN  85  18.609 -23.274 -11.115
  617   HD22  ASN  85          HD21      ASN  85  19.822 -23.284  -9.861
  618    H    LEU  86           H        LEU  86  15.613 -18.602 -11.105
  619    HA   LEU  86           HA       LEU  86  16.518 -17.757  -8.467
  620    HB2  LEU  86           HB2      LEU  86  16.071 -15.875  -9.589
  621    HB3  LEU  86           HB3      LEU  86  15.029 -16.613 -10.746
  622    HG   LEU  86           HG       LEU  86  14.049 -16.098  -7.936
  623   HD11  LEU  86          HD11      LEU  86  14.006 -14.147 -10.282
  624   HD12  LEU  86          HD12      LEU  86  13.157 -13.931  -8.731
  625   HD13  LEU  86          HD13      LEU  86  14.924 -13.959  -8.766
  626   HD21  LEU  86          HD21      LEU  86  11.840 -15.944  -9.262
  627   HD22  LEU  86          HD22      LEU  86  12.745 -16.314 -10.736
  628   HD23  LEU  86          HD23      LEU  86  12.614 -17.520  -9.475
  629    HA   PRO  87           HA       PRO  87  13.864 -20.533  -6.522
  630    HB2  PRO  87           HB2      PRO  87  13.179 -18.540  -4.375
  631    HB3  PRO  87           HB3      PRO  87  13.827 -20.198  -4.217
  632    HG2  PRO  87           HG2      PRO  87  15.455 -18.041  -3.936
  633    HG3  PRO  87           HG3      PRO  87  16.007 -19.500  -4.816
  634    HD2  PRO  87           HD2      PRO  87  14.940 -16.903  -5.963
  635    HD3  PRO  87           HD3      PRO  87  16.364 -17.865  -6.452
  636    HA   PRO  88           HA       PRO  88   9.871 -19.807  -8.195
  637    HB2  PRO  88           HB2      PRO  88   8.355 -21.859  -7.180
  638    HB3  PRO  88           HB3      PRO  88   9.685 -22.118  -8.351
  639    HG2  PRO  88           HG2      PRO  88   9.795 -22.362  -5.327
  640    HG3  PRO  88           HG3      PRO  88  10.368 -23.542  -6.552
  641    HD2  PRO  88           HD2      PRO  88  12.086 -21.804  -5.387
  642    HD3  PRO  88           HD3      PRO  88  12.218 -22.167  -7.136
  643    H    GLU  89           H        GLU  89  10.010 -19.614  -4.620
  644    HA   GLU  89           HA       GLU  89   7.321 -18.709  -4.435
  645    HB2  GLU  89           HB2      GLU  89   7.992 -17.693  -2.310
  646    HB3  GLU  89           HB3      GLU  89   8.465 -19.370  -2.438
  647    HG2  GLU  89           HG2      GLU  89  10.527 -17.316  -3.218
  648    HG3  GLU  89           HG3      GLU  89  10.083 -17.410  -1.520
  649    H    TRP  90           H        TRP  90  10.071 -17.205  -5.895
  650    HA   TRP  90           HA       TRP  90   8.942 -14.487  -5.839
  651    HB2  TRP  90           HB2      TRP  90  11.350 -15.752  -7.125
  652    HB3  TRP  90           HB3      TRP  90  10.981 -14.036  -7.209
  653    HD1  TRP  90           HD1      TRP  90  12.720 -16.528  -5.085
  654    HE1  TRP  90           HE1      TRP  90  13.416 -15.575  -2.800
  655    HE3  TRP  90           HE3      TRP  90  10.360 -12.055  -5.381
  656    HZ2  TRP  90           HZ2      TRP  90  12.835 -13.181  -1.229
  657    HZ3  TRP  90           HZ3      TRP  90  10.347 -10.471  -3.464
  658    HH2  TRP  90           HH2      TRP  90  11.574 -11.027  -1.392
  659    H    VAL  91           H        VAL  91   8.369 -17.297  -7.614
  660    HA   VAL  91           HA       VAL  91   7.713 -15.899 -10.107
  661    HB   VAL  91           HB       VAL  91   7.754 -18.785  -9.482
  662   HG11  VAL  91          HG11      VAL  91   6.276 -18.414 -11.377
  663   HG12  VAL  91          HG12      VAL  91   7.499 -17.400 -12.167
  664   HG13  VAL  91          HG13      VAL  91   7.775 -19.139 -11.957
  665   HG21  VAL  91          HG21      VAL  91   9.826 -18.912 -10.834
  666   HG22  VAL  91          HG22      VAL  91   9.814 -17.134 -11.003
  667   HG23  VAL  91          HG23      VAL  91  10.064 -17.897  -9.420
  668    H    THR  92           H        THR  92   6.391 -16.949  -7.123
  669    HA   THR  92           HA       THR  92   3.683 -16.907  -8.264
  670    HB   THR  92           HB       THR  92   3.219 -18.436  -6.346
  671    HG1  THR  92           HG1      THR  92   4.646 -17.830  -4.773
  672   HG21  THR  92          HG21      THR  92   4.609 -20.292  -7.119
  673   HG22  THR  92          HG22      THR  92   4.101 -19.289  -8.507
  674   HG23  THR  92          HG23      THR  92   5.753 -19.167  -7.876
  675    H    GLN  93           H        GLN  93   4.690 -14.302  -7.611
  676    HA   GLN  93           HA       GLN  93   3.296 -13.521  -5.260
  677    HB2  GLN  93           HB2      GLN  93   4.666 -12.115  -7.561
  678    HB3  GLN  93           HB3      GLN  93   3.523 -11.166  -6.633
  679    HG2  GLN  93           HG2      GLN  93   5.737 -10.939  -5.663
  680    HG3  GLN  93           HG3      GLN  93   4.640 -11.732  -4.539
  681   HE21  GLN  93          HE22      GLN  93   5.879 -13.263  -3.350
  682   HE22  GLN  93          HE21      GLN  93   6.761 -14.537  -4.199
  683    H    GLU  94           H        GLU  94   1.538 -11.614  -5.523
  684    HA   GLU  94           HA       GLU  94  -0.821 -12.870  -6.525
  685    HB2  GLU  94           HB2      GLU  94  -0.226  -9.977  -5.751
  686    HB3  GLU  94           HB3      GLU  94  -1.830 -10.549  -6.198
  687    HG2  GLU  94           HG2      GLU  94  -0.204 -11.613  -3.849
  688    HG3  GLU  94           HG3      GLU  94  -1.499 -10.430  -3.743
  689    H    ILE  95           H        ILE  95   1.553 -10.717  -7.947
  690    HA   ILE  95           HA       ILE  95   0.437 -11.321 -10.595
  691    HB   ILE  95           HB       ILE  95  -0.285  -9.103 -10.471
  692   HG12  ILE  95          HG12      ILE  95   2.490  -8.874 -11.721
  693   HG13  ILE  95          HG13      ILE  95   1.136  -9.713 -12.477
  694   HG21  ILE  95          HG21      ILE  95   0.664  -8.330  -8.416
  695   HG22  ILE  95          HG22      ILE  95   2.310  -8.444  -9.045
  696   HG23  ILE  95          HG23      ILE  95   1.196  -7.209  -9.665
  697   HD11  ILE  95          HD11      ILE  95  -0.156  -7.579 -12.524
  698   HD12  ILE  95          HD12      ILE  95   1.259  -6.737 -11.852
  699   HD13  ILE  95          HD13      ILE  95   1.365  -7.490 -13.439
  700    H    PHE  96           H        PHE  96   1.897 -12.506 -11.540
  701    HA   PHE  96           HA       PHE  96   4.783 -12.024 -11.036
  702    HB2  PHE  96           HB2      PHE  96   4.403 -14.253 -10.373
  703    HB3  PHE  96           HB3      PHE  96   3.406 -14.598 -11.798
  704    HD1  PHE  96           HD2      PHE  96   6.846 -13.475 -10.779
  705    HD2  PHE  96           HD1      PHE  96   4.446 -15.469 -13.765
  706    HE1  PHE  96           HE2      PHE  96   8.886 -14.025 -12.053
  707    HE2  PHE  96           HE1      PHE  96   6.502 -16.005 -15.053
  708    HZ   PHE  96           HZ       PHE  96   8.721 -15.285 -14.208
  709    H    GLU  97           H        GLU  97   5.947 -11.674 -13.123
  710    HA   GLU  97           HA       GLU  97   4.360 -11.969 -15.574
  711    HB2  GLU  97           HB2      GLU  97   5.918  -9.455 -14.944
  712    HB3  GLU  97           HB3      GLU  97   5.340  -9.873 -16.536
  713    HG2  GLU  97           HG2      GLU  97   3.491  -9.419 -14.156
  714    HG3  GLU  97           HG3      GLU  97   3.987  -8.170 -15.278
  715    H    ASP  98           H        ASP  98   5.511 -12.671 -17.213
  716    HA   ASP  98           HA       ASP  98   8.443 -13.137 -16.976
  717    HB2  ASP  98           HB2      ASP  98   7.662 -15.284 -17.241
  718    HB3  ASP  98           HB3      ASP  98   6.165 -14.778 -18.012
  719    H    TRP  99           H        TRP  99   9.409 -11.591 -18.082
  720    HA   TRP  99           HA       TRP  99   8.314 -10.762 -20.715
  721    HB2  TRP  99           HB2      TRP  99  10.070  -9.063 -18.937
  722    HB3  TRP  99           HB3      TRP  99   9.352  -8.618 -20.479
  723    HD1  TRP  99           HD1      TRP  99   9.169  -7.399 -17.336
  724    HE1  TRP  99           HE1      TRP  99   6.929  -6.347 -16.730
  725    HE3  TRP  99           HE3      TRP  99   6.219  -9.671 -20.866
  726    HZ2  TRP  99           HZ2      TRP  99   4.233  -6.361 -17.718
  727    HZ3  TRP  99           HZ3      TRP  99   3.818  -9.093 -21.024
  728    HH2  TRP  99           HH2      TRP  99   2.818  -7.428 -19.474
  729    H    GLN 100           H        GLN 100  10.177 -10.158 -22.212
  730    HA   GLN 100           HA       GLN 100  12.759 -11.489 -21.537
  731    HB2  GLN 100           HB2      GLN 100  11.256 -11.622 -24.188
  732    HB3  GLN 100           HB3      GLN 100  12.889 -12.219 -23.918
  733    HG2  GLN 100           HG2      GLN 100  10.433 -13.324 -22.474
  734    HG3  GLN 100           HG3      GLN 100  11.047 -13.930 -24.003
  735   HE21  GLN 100          HE22      GLN 100  11.313 -16.033 -22.957
  736   HE22  GLN 100          HE21      GLN 100  12.747 -16.336 -22.009
  737    H    LEU 101           H        LEU 101  13.362  -9.324 -20.848
  738    HA   LEU 101           HA       LEU 101  13.232  -7.139 -22.827
  739    HB2  LEU 101           HB2      LEU 101  14.279  -7.336 -20.001
  740    HB3  LEU 101           HB3      LEU 101  14.770  -6.012 -21.040
  741    HG   LEU 101           HG       LEU 101  12.993  -5.310 -19.677
  742   HD11  LEU 101          HD11      LEU 101  13.039  -4.419 -22.034
  743   HD12  LEU 101          HD12      LEU 101  11.770  -5.590 -22.451
  744   HD13  LEU 101          HD13      LEU 101  11.452  -4.339 -21.242
  745   HD21  LEU 101          HD21      LEU 101  11.937  -7.563 -19.326
  746   HD22  LEU 101          HD22      LEU 101  10.780  -6.247 -19.618
  747   HD23  LEU 101          HD23      LEU 101  11.184  -7.390 -20.925
  748    H    GLU 102           H        GLU 102  15.014  -6.232 -23.896
  749    HA   GLU 102           HA       GLU 102  17.326  -7.925 -24.316
  750    HB2  GLU 102           HB2      GLU 102  16.406  -5.269 -25.464
  751    HB3  GLU 102           HB3      GLU 102  17.939  -6.032 -25.918
  752    HG2  GLU 102           HG2      GLU 102  16.804  -7.982 -26.799
  753    HG3  GLU 102           HG3      GLU 102  15.239  -7.425 -26.204
  754    H    ASP 103           H        ASP 103  19.584  -6.661 -24.198
  755    HA   ASP 103           HA       ASP 103  19.625  -4.828 -21.931
  756    HB2  ASP 103           HB2      ASP 103  20.117  -7.025 -20.989
  757    HB3  ASP 103           HB3      ASP 103  21.428  -7.246 -22.169
  758    HA   PRO 104           HA       PRO 104  22.294  -2.942 -24.925
  759    HB2  PRO 104           HB2      PRO 104  22.613  -0.525 -23.902
  760    HB3  PRO 104           HB3      PRO 104  20.990  -1.140 -24.323
  761    HG2  PRO 104           HG2      PRO 104  22.290  -1.169 -21.567
  762    HG3  PRO 104           HG3      PRO 104  20.681  -0.508 -22.020
  763    HD2  PRO 104           HD2      PRO 104  21.005  -3.036 -21.059
  764    HD3  PRO 104           HD3      PRO 104  19.777  -2.648 -22.296
  765    H    ASP 105           H        ASP 105  23.703  -4.169 -22.005
  766    HA   ASP 105           HA       ASP 105  26.063  -2.560 -21.899
  767    HB2  ASP 105           HB2      ASP 105  25.570  -3.987 -20.037
  768    HB3  ASP 105           HB3      ASP 105  25.633  -5.436 -21.061
  769    H    GLY 106           H        GLY 106  27.817  -2.486 -23.187
  770    HA2  GLY 106           HA2      GLY 106  29.423  -3.073 -24.706
  771    HA3  GLY 106           HA3      GLY 106  28.832  -4.737 -24.656
  772    H    GLN 107           H        GLN 107  26.153  -2.842 -25.402
  773    HA   GLN 107           HA       GLN 107  26.364  -3.420 -28.291
  774    HB2  GLN 107           HB2      GLN 107  24.077  -2.082 -26.859
  775    HB3  GLN 107           HB3      GLN 107  24.039  -2.927 -28.401
  776    HG2  GLN 107           HG2      GLN 107  24.353  -4.246 -25.678
  777    HG3  GLN 107           HG3      GLN 107  22.865  -4.077 -26.587
  778   HE21  GLN 107          HE22      GLN 107  22.934  -6.369 -25.964
  779   HE22  GLN 107          HE21      GLN 107  23.608  -7.497 -27.141
  780    H    SER 108           H        SER 108  25.495  -1.581 -29.745
  781    HA   SER 108           HA       SER 108  26.940   0.850 -29.377
  782    HB2  SER 108           HB2      SER 108  24.672   0.202 -31.304
  783    HB3  SER 108           HB3      SER 108  25.862   1.506 -31.471
  784    HG   SER 108           HG       SER 108  26.445  -0.340 -32.714
  785    H    LEU 109           H        LEU 109  25.995   2.999 -29.257
  786    HA   LEU 109           HA       LEU 109  24.465   3.491 -27.023
  787    HB2  LEU 109           HB2      LEU 109  26.079   4.991 -28.251
  788    HB3  LEU 109           HB3      LEU 109  24.838   5.258 -29.479
  789    HG   LEU 109           HG       LEU 109  23.379   6.329 -27.758
  790   HD11  LEU 109          HD11      LEU 109  24.448   6.947 -25.556
  791   HD12  LEU 109          HD12      LEU 109  24.071   5.230 -25.706
  792   HD13  LEU 109          HD13      LEU 109  25.749   5.788 -25.913
  793   HD21  LEU 109          HD21      LEU 109  24.942   7.675 -29.121
  794   HD22  LEU 109          HD22      LEU 109  24.757   8.369 -27.500
  795   HD23  LEU 109          HD23      LEU 109  26.219   7.443 -27.905
  796    H    GLU 110           H        GLU 110  23.297   3.086 -30.334
  797    HA   GLU 110           HA       GLU 110  20.673   4.056 -30.055
  798    HB2  GLU 110           HB2      GLU 110  20.120   2.316 -31.819
  799    HB3  GLU 110           HB3      GLU 110  21.372   3.502 -32.225
  800    HG2  GLU 110           HG2      GLU 110  23.114   1.809 -31.778
  801    HG3  GLU 110           HG3      GLU 110  21.873   0.627 -31.356
  802    H    VAL 111           H        VAL 111  22.068   1.003 -28.893
  803    HA   VAL 111           HA       VAL 111  19.474  -0.140 -28.431
  804    HB   VAL 111           HB       VAL 111  22.073  -1.165 -27.347
  805   HG11  VAL 111          HG11      VAL 111  19.437  -2.523 -28.097
  806   HG12  VAL 111          HG12      VAL 111  20.892  -3.384 -27.582
  807   HG13  VAL 111          HG13      VAL 111  20.075  -2.293 -26.452
  808   HG21  VAL 111          HG21      VAL 111  22.492  -0.931 -29.724
  809   HG22  VAL 111          HG22      VAL 111  22.005  -2.616 -29.516
  810   HG23  VAL 111          HG23      VAL 111  20.839  -1.425 -30.137
  811    H    PHE 112           H        PHE 112  21.935   1.419 -26.265
  812    HA   PHE 112           HA       PHE 112  20.443   1.236 -23.823
  813    HB2  PHE 112           HB2      PHE 112  22.250   3.432 -24.939
  814    HB3  PHE 112           HB3      PHE 112  21.515   3.496 -23.349
  815    HD1  PHE 112           HD2      PHE 112  22.165   1.910 -21.550
  816    HD2  PHE 112           HD1      PHE 112  24.213   1.989 -25.346
  817    HE1  PHE 112           HE2      PHE 112  24.031   0.580 -20.583
  818    HE2  PHE 112           HE1      PHE 112  26.065   0.679 -24.373
  819    HZ   PHE 112           HZ       PHE 112  25.984  -0.040 -21.992
  820    H    ARG 113           H        ARG 113  20.293   3.704 -26.449
  821    HA   ARG 113           HA       ARG 113  18.194   5.265 -25.324
  822    HB2  ARG 113           HB2      ARG 113  19.091   4.779 -28.197
  823    HB3  ARG 113           HB3      ARG 113  17.865   5.970 -27.769
  824    HG2  ARG 113           HG2      ARG 113  19.375   7.302 -26.540
  825    HG3  ARG 113           HG3      ARG 113  20.615   6.041 -26.461
  826    HD2  ARG 113           HD2      ARG 113  21.139   6.244 -28.779
  827    HD3  ARG 113           HD3      ARG 113  19.704   7.257 -29.086
  828    HE   ARG 113           HE       ARG 113  21.362   8.509 -27.129
  829   HH11  ARG 113          HH11      ARG 113  21.308   7.866 -30.636
  830   HH12  ARG 113          HH12      ARG 113  22.222   9.273 -31.044
  831   HH21  ARG 113          HH21      ARG 113  22.549  10.397 -27.685
  832   HH22  ARG 113          HH22      ARG 113  22.950  10.731 -29.328
  833    H    THR 114           H        THR 114  17.989   2.428 -27.567
  834    HA   THR 114           HA       THR 114  15.184   2.471 -27.874
  835    HB   THR 114           HB       THR 114  17.457   0.492 -28.196
  836    HG1  THR 114           HG1      THR 114  17.459   1.975 -29.765
  837   HG21  THR 114          HG21      THR 114  15.970  -0.985 -29.468
  838   HG22  THR 114          HG22      THR 114  15.679  -0.969 -27.725
  839   HG23  THR 114          HG23      THR 114  14.565  -0.087 -28.813
  840    H    VAL 115           H        VAL 115  17.312   0.573 -25.611
  841    HA   VAL 115           HA       VAL 115  15.090  -0.891 -24.664
  842    HB   VAL 115           HB       VAL 115  17.938  -0.634 -23.661
  843   HG11  VAL 115          HG11      VAL 115  15.766  -2.567 -22.715
  844   HG12  VAL 115          HG12      VAL 115  17.488  -2.733 -22.343
  845   HG13  VAL 115          HG13      VAL 115  16.590  -1.342 -21.718
  846   HG21  VAL 115          HG21      VAL 115  18.146  -2.888 -24.671
  847   HG22  VAL 115          HG22      VAL 115  16.422  -2.856 -25.126
  848   HG23  VAL 115          HG23      VAL 115  17.565  -1.747 -25.891
  849    H    ARG 116           H        ARG 116  16.461   2.186 -23.499
  850    HA   ARG 116           HA       ARG 116  14.913   2.291 -21.111
  851    HB2  ARG 116           HB2      ARG 116  15.789   4.469 -23.076
  852    HB3  ARG 116           HB3      ARG 116  14.842   4.820 -21.620
  853    HG2  ARG 116           HG2      ARG 116  16.621   3.705 -20.246
  854    HG3  ARG 116           HG3      ARG 116  17.642   3.615 -21.681
  855    HD2  ARG 116           HD2      ARG 116  16.447   6.232 -20.641
  856    HD3  ARG 116           HD3      ARG 116  17.964   5.590 -20.058
  857    HE   ARG 116           HE       ARG 116  19.051   6.075 -21.997
  858   HH11  ARG 116          HH11      ARG 116  15.605   6.880 -22.593
  859   HH12  ARG 116          HH12      ARG 116  15.983   7.992 -23.851
  860   HH21  ARG 116          HH21      ARG 116  19.490   7.610 -23.623
  861   HH22  ARG 116          HH22      ARG 116  18.197   8.406 -24.439
  862    H    GLY 117           H        GLY 117  13.959   3.125 -24.501
  863    HA2  GLY 117           HA2      GLY 117  11.300   3.954 -23.904
  864    HA3  GLY 117           HA3      GLY 117  11.895   3.359 -25.462
  865    H    GLN 118           H        GLN 118  12.565   0.746 -25.021
  866    HA   GLN 118           HA       GLN 118  10.043  -0.540 -25.055
  867    HB2  GLN 118           HB2      GLN 118  12.699  -1.886 -24.454
  868    HB3  GLN 118           HB3      GLN 118  11.212  -2.650 -25.034
  869    HG2  GLN 118           HG2      GLN 118  11.427  -1.069 -27.089
  870    HG3  GLN 118           HG3      GLN 118  13.092  -0.816 -26.539
  871   HE21  GLN 118          HE22      GLN 118  13.757  -3.429 -25.606
  872   HE22  GLN 118          HE21      GLN 118  13.941  -4.396 -27.075
  873    H    VAL 119           H        VAL 119  12.468  -0.293 -22.483
  874    HA   VAL 119           HA       VAL 119  11.078  -1.971 -20.637
  875    HB   VAL 119           HB       VAL 119  13.234   0.145 -20.264
  876   HG11  VAL 119          HG11      VAL 119  12.107  -1.779 -18.183
  877   HG12  VAL 119          HG12      VAL 119  13.573  -0.761 -18.016
  878   HG13  VAL 119          HG13      VAL 119  11.988  -0.008 -18.139
  879   HG21  VAL 119          HG21      VAL 119  13.739  -2.076 -21.476
  880   HG22  VAL 119          HG22      VAL 119  14.712  -1.755 -20.039
  881   HG23  VAL 119          HG23      VAL 119  13.352  -2.892 -19.946
  882    H    LYS 120           H        LYS 120  11.090   1.646 -21.049
  883    HA   LYS 120           HA       LYS 120   9.553   2.324 -18.827
  884    HB2  LYS 120           HB2      LYS 120  10.547   3.947 -20.494
  885    HB3  LYS 120           HB3      LYS 120   9.266   3.482 -21.641
  886    HG2  LYS 120           HG2      LYS 120   7.541   4.285 -20.004
  887    HG3  LYS 120           HG3      LYS 120   8.845   4.779 -18.902
  888    HD2  LYS 120           HD2      LYS 120   9.708   6.359 -20.607
  889    HD3  LYS 120           HD3      LYS 120   8.450   5.830 -21.741
  890    HE2  LYS 120           HE2      LYS 120   6.696   6.596 -20.126
  891    HE3  LYS 120           HE3      LYS 120   7.965   7.173 -19.037
  892    HZ1  LYS 120           HZ1      LYS 120   7.458   8.200 -21.780
  893    HZ2  LYS 120           HZ2      LYS 120   7.091   8.967 -20.390
  894    HZ3  LYS 120           HZ3      LYS 120   8.655   8.732 -20.791
  895    H    GLU 121           H        GLU 121   8.412   1.328 -22.079
  896    HA   GLU 121           HA       GLU 121   5.670   1.610 -21.532
  897    HB2  GLU 121           HB2      GLU 121   6.693   1.526 -23.736
  898    HB3  GLU 121           HB3      GLU 121   7.176  -0.159 -23.498
  899    HG2  GLU 121           HG2      GLU 121   4.832  -0.870 -23.376
  900    HG3  GLU 121           HG3      GLU 121   4.286   0.807 -23.484
  901    H    ARG 122           H        ARG 122   7.788  -1.313 -21.174
  902    HA   ARG 122           HA       ARG 122   5.603  -2.991 -20.294
  903    HB2  ARG 122           HB2      ARG 122   8.599  -3.308 -19.877
  904    HB3  ARG 122           HB3      ARG 122   7.368  -4.489 -19.409
  905    HG2  ARG 122           HG2      ARG 122   6.579  -4.162 -21.971
  906    HG3  ARG 122           HG3      ARG 122   8.277  -3.699 -22.173
  907    HD2  ARG 122           HD2      ARG 122   8.942  -5.856 -21.094
  908    HD3  ARG 122           HD3      ARG 122   7.234  -6.274 -20.922
  909    HE   ARG 122           HE       ARG 122   8.857  -6.170 -23.404
  910   HH11  ARG 122          HH11      ARG 122   5.632  -6.792 -22.018
  911   HH12  ARG 122          HH12      ARG 122   4.999  -7.481 -23.467
  912   HH21  ARG 122          HH21      ARG 122   8.019  -7.139 -25.306
  913   HH22  ARG 122          HH22      ARG 122   6.390  -7.700 -25.362
  914    H    VAL 123           H        VAL 123   7.924  -0.958 -18.461
  915    HA   VAL 123           HA       VAL 123   6.892  -1.852 -15.921
  916    HB   VAL 123           HB       VAL 123   8.428   0.634 -16.581
  917   HG11  VAL 123          HG11      VAL 123   9.130   0.604 -14.227
  918   HG12  VAL 123          HG12      VAL 123   7.377   0.826 -14.368
  919   HG13  VAL 123          HG13      VAL 123   8.032  -0.756 -13.905
  920   HG21  VAL 123          HG21      VAL 123   9.655  -1.506 -17.163
  921   HG22  VAL 123          HG22      VAL 123  10.403  -0.587 -15.861
  922   HG23  VAL 123          HG23      VAL 123   9.434  -2.035 -15.487
  923    H    GLU 124           H        GLU 124   6.022   0.895 -18.090
  924    HA   GLU 124           HA       GLU 124   4.085   2.049 -16.385
  925    HB2  GLU 124           HB2      GLU 124   4.511   2.015 -19.399
  926    HB3  GLU 124           HB3      GLU 124   3.017   2.670 -18.716
  927    HG2  GLU 124           HG2      GLU 124   4.426   4.194 -17.288
  928    HG3  GLU 124           HG3      GLU 124   5.827   3.679 -18.231
  929    H    ASN 125           H        ASN 125   3.816  -0.604 -18.749
  930    HA   ASN 125           HA       ASN 125   1.015  -0.947 -18.469
  931    HB2  ASN 125           HB2      ASN 125   2.301  -1.951 -20.325
  932    HB3  ASN 125           HB3      ASN 125   3.128  -3.022 -19.187
  933   HD21  ASN 125          HD22      ASN 125  -0.101  -2.230 -20.588
  934   HD22  ASN 125          HD21      ASN 125  -0.806  -3.784 -20.236
  935    H    LEU 126           H        LEU 126   3.706  -2.588 -16.705
  936    HA   LEU 126           HA       LEU 126   2.213  -4.246 -15.014
  937    HB2  LEU 126           HB2      LEU 126   4.565  -4.406 -15.377
  938    HB3  LEU 126           HB3      LEU 126   4.868  -2.810 -14.724
  939    HG   LEU 126           HG       LEU 126   5.420  -4.854 -13.354
  940   HD11  LEU 126          HD11      LEU 126   3.725  -2.799 -11.898
  941   HD12  LEU 126          HD12      LEU 126   5.084  -3.746 -11.257
  942   HD13  LEU 126          HD13      LEU 126   5.379  -2.507 -12.479
  943   HD21  LEU 126          HD21      LEU 126   3.713  -5.841 -11.934
  944   HD22  LEU 126          HD22      LEU 126   2.456  -4.891 -12.720
  945   HD23  LEU 126          HD23      LEU 126   3.366  -6.115 -13.650
  946    H    ILE 127           H        ILE 127   3.274  -0.803 -14.509
  947    HA   ILE 127           HA       ILE 127   2.086  -0.492 -11.901
  948    HB   ILE 127           HB       ILE 127   2.994   1.370 -14.129
  949   HG12  ILE 127          HG12      ILE 127   4.126   0.707 -11.385
  950   HG13  ILE 127          HG13      ILE 127   4.644  -0.124 -12.842
  951   HG21  ILE 127          HG21      ILE 127   2.093   2.132 -11.313
  952   HG22  ILE 127          HG22      ILE 127   2.854   3.226 -12.497
  953   HG23  ILE 127          HG23      ILE 127   1.269   2.558 -12.830
  954   HD11  ILE 127          HD11      ILE 127   6.255   1.555 -12.340
  955   HD12  ILE 127          HD12      ILE 127   5.362   2.050 -13.805
  956   HD13  ILE 127          HD13      ILE 127   5.014   2.810 -12.224
  957    H    ALA 128           H        ALA 128   0.911   0.392 -15.222
  958    HA   ALA 128           HA       ALA 128  -1.587   1.369 -14.447
  959    HB1  ALA 128           HB1      ALA 128  -2.262   0.958 -16.766
  960    HB2  ALA 128           HB2      ALA 128  -0.603   1.586 -16.715
  961    HB3  ALA 128           HB3      ALA 128  -0.893  -0.145 -16.998
  962    H    LYS 129           H        LYS 129  -0.600  -2.075 -14.733
  963    HA   LYS 129           HA       LYS 129  -3.288  -3.082 -14.475
  964    HB2  LYS 129           HB2      LYS 129  -0.574  -4.357 -13.974
  965    HB3  LYS 129           HB3      LYS 129  -2.095  -5.186 -13.672
  966    HG2  LYS 129           HG2      LYS 129  -2.756  -4.983 -16.013
  967    HG3  LYS 129           HG3      LYS 129  -1.269  -4.100 -16.394
  968    HD2  LYS 129           HD2      LYS 129   0.090  -6.049 -15.661
  969    HD3  LYS 129           HD3      LYS 129  -1.404  -6.923 -15.247
  970    HE2  LYS 129           HE2      LYS 129  -2.113  -6.589 -17.701
  971    HE3  LYS 129           HE3      LYS 129  -0.459  -6.037 -18.006
  972    HZ1  LYS 129           HZ1      LYS 129  -0.587  -8.359 -18.491
  973    HZ2  LYS 129           HZ2      LYS 129   0.291  -8.243 -17.101
  974    HZ3  LYS 129           HZ3      LYS 129  -1.272  -8.723 -17.051
  975    H    ILE 130           H        ILE 130  -0.582  -2.720 -12.128
  976    HA   ILE 130           HA       ILE 130  -2.234  -3.677 -10.042
  977    HB   ILE 130           HB       ILE 130  -0.343  -3.403  -8.612
  978   HG12  ILE 130          HG12      ILE 130   0.907  -1.943 -10.939
  979   HG13  ILE 130          HG13      ILE 130   0.582  -1.296  -9.341
  980   HG21  ILE 130          HG21      ILE 130   1.067  -5.018  -9.696
  981   HG22  ILE 130          HG22      ILE 130  -0.593  -5.347 -10.191
  982   HG23  ILE 130          HG23      ILE 130   0.519  -4.522 -11.310
  983   HD11  ILE 130          HD11      ILE 130   2.623  -3.452  -9.966
  984   HD12  ILE 130          HD12      ILE 130   2.949  -1.746  -9.696
  985   HD13  ILE 130          HD13      ILE 130   2.302  -2.727  -8.361
  986    H    SER 131           H        SER 131  -1.294  -0.368 -10.875
  987    HA   SER 131           HA       SER 131  -2.325   0.652  -8.372
  988    HB2  SER 131           HB2      SER 131  -0.614   1.834 -10.566
  989    HB3  SER 131           HB3      SER 131  -1.172   2.725  -9.132
  990    HG   SER 131           HG       SER 131   0.939   1.734  -8.849
  Start of MODEL   18
    1    H    MET   1           H        MET   1   2.391  -0.759   1.459
    2    HA   MET   1           HA       MET   1   0.983   0.033  -1.001
    3    HB2  MET   1           HB2      MET   1   2.846   1.349  -1.697
    4    HB3  MET   1           HB3      MET   1   2.368   1.883  -0.106
    5    HG2  MET   1           HG2      MET   1   4.316   0.408   0.772
    6    HG3  MET   1           HG3      MET   1   4.850   0.337  -0.909
    7    HE1  MET   1           HE1      MET   1   5.832   4.099  -1.620
    8    HE2  MET   1           HE2      MET   1   6.062   2.417  -2.147
    9    HE3  MET   1           HE3      MET   1   4.434   3.157  -2.151
   10    H    LYS   2           H        LYS   2   1.830  -0.913  -3.022
   11    HA   LYS   2           HA       LYS   2   2.314  -3.755  -2.559
   12    HB2  LYS   2           HB2      LYS   2   2.499  -2.710  -5.347
   13    HB3  LYS   2           HB3      LYS   2   1.788  -4.160  -4.735
   14    HG2  LYS   2           HG2      LYS   2  -0.161  -2.972  -3.860
   15    HG3  LYS   2           HG3      LYS   2   0.554  -1.413  -4.300
   16    HD2  LYS   2           HD2      LYS   2   0.626  -2.241  -6.705
   17    HD3  LYS   2           HD3      LYS   2  -0.456  -3.553  -6.197
   18    HE2  LYS   2           HE2      LYS   2  -0.986  -0.566  -5.710
   19    HE3  LYS   2           HE3      LYS   2  -1.479  -1.380  -7.180
   20    HZ1  LYS   2           HZ1      LYS   2  -2.431  -2.151  -4.463
   21    HZ2  LYS   2           HZ2      LYS   2  -3.290  -1.303  -5.562
   22    HZ3  LYS   2           HZ3      LYS   2  -2.896  -2.850  -5.877
   23    H    LYS   3           H        LYS   3   4.332  -4.787  -2.447
   24    HA   LYS   3           HA       LYS   3   6.656  -3.132  -3.341
   25    HB2  LYS   3           HB2      LYS   3   6.944  -5.761  -1.917
   26    HB3  LYS   3           HB3      LYS   3   8.114  -4.431  -2.133
   27    HG2  LYS   3           HG2      LYS   3   6.719  -3.029  -0.595
   28    HG3  LYS   3           HG3      LYS   3   5.622  -4.404  -0.365
   29    HD2  LYS   3           HD2      LYS   3   7.485  -5.773   0.520
   30    HD3  LYS   3           HD3      LYS   3   8.598  -4.396   0.307
   31    HE2  LYS   3           HE2      LYS   3   7.232  -3.023   1.830
   32    HE3  LYS   3           HE3      LYS   3   6.062  -4.346   2.001
   33    HZ1  LYS   3           HZ1      LYS   3   7.555  -4.366   3.875
   34    HZ2  LYS   3           HZ2      LYS   3   7.862  -5.707   2.974
   35    HZ3  LYS   3           HZ3      LYS   3   8.885  -4.424   2.925
   36    H    VAL   4           H        VAL   4   7.889  -3.661  -4.961
   37    HA   VAL   4           HA       VAL   4   6.939  -5.742  -6.845
   38    HB   VAL   4           HB       VAL   4   8.303  -3.110  -7.412
   39   HG11  VAL   4          HG11      VAL   4   6.612  -4.855  -9.240
   40   HG12  VAL   4          HG12      VAL   4   7.358  -3.322  -9.679
   41   HG13  VAL   4          HG13      VAL   4   8.385  -4.718  -9.296
   42   HG21  VAL   4          HG21      VAL   4   6.389  -1.946  -7.813
   43   HG22  VAL   4          HG22      VAL   4   5.325  -3.369  -7.865
   44   HG23  VAL   4          HG23      VAL   4   5.954  -2.762  -6.324
   45    H    MET   5           H        MET   5   8.593  -6.780  -8.001
   46    HA   MET   5           HA       MET   5  11.410  -6.076  -7.461
   47    HB2  MET   5           HB2      MET   5  10.391  -8.952  -7.496
   48    HB3  MET   5           HB3      MET   5  12.081  -8.440  -7.460
   49    HG2  MET   5           HG2      MET   5  11.452  -7.230  -5.245
   50    HG3  MET   5           HG3      MET   5  10.022  -8.272  -5.269
   51    HE1  MET   5           HE1      MET   5  10.974  -9.156  -2.872
   52    HE2  MET   5           HE2      MET   5  12.587  -9.866  -2.657
   53    HE3  MET   5           HE3      MET   5  12.425  -8.132  -3.042
   54    H    PHE   6           H        PHE   6  12.783  -6.471  -9.200
   55    HA   PHE   6           HA       PHE   6  11.715  -7.641 -11.653
   56    HB2  PHE   6           HB2      PHE   6  13.332  -5.060 -11.670
   57    HB3  PHE   6           HB3      PHE   6  12.785  -5.979 -13.058
   58    HD1  PHE   6           HD2      PHE   6  11.529  -3.960 -10.166
   59    HD2  PHE   6           HD1      PHE   6  10.725  -5.432 -14.148
   60    HE1  PHE   6           HE2      PHE   6   9.514  -2.537 -10.303
   61    HE2  PHE   6           HE1      PHE   6   8.724  -4.002 -14.271
   62    HZ   PHE   6           HZ       PHE   6   8.108  -2.545 -12.344
   63    H    VAL   7           H        VAL   7  13.155  -9.313 -11.999
   64    HA   VAL   7           HA       VAL   7  15.924  -8.956 -10.988
   65    HB   VAL   7           HB       VAL   7  14.882  -9.624  -9.074
   66   HG11  VAL   7          HG11      VAL   7  12.633 -10.151  -9.708
   67   HG12  VAL   7          HG12      VAL   7  13.155 -11.616 -10.584
   68   HG13  VAL   7          HG13      VAL   7  13.271 -11.523  -8.813
   69   HG21  VAL   7          HG21      VAL   7  15.639 -12.357 -10.188
   70   HG22  VAL   7          HG22      VAL   7  16.810 -11.131  -9.645
   71   HG23  VAL   7          HG23      VAL   7  15.662 -11.822  -8.499
   72    H    CYS   8           H        CYS   8  17.433 -10.164 -11.818
   73    HA   CYS   8           HA       CYS   8  16.911 -12.456 -13.552
   74    HB2  CYS   8           HB2      CYS   8  17.104 -10.511 -15.093
   75    HB3  CYS   8           HB3      CYS   8  18.653 -10.083 -14.370
   76    H    LYS   9           H        LYS   9  19.341 -13.494 -13.818
   77    HA   LYS   9           HA       LYS   9  19.924 -14.399 -11.289
   78    HB2  LYS   9           HB2      LYS   9  20.542 -15.502 -13.428
   79    HB3  LYS   9           HB3      LYS   9  21.859 -14.338 -13.651
   80    HG2  LYS   9           HG2      LYS   9  22.937 -15.159 -11.562
   81    HG3  LYS   9           HG3      LYS   9  21.593 -16.289 -11.318
   82    HD2  LYS   9           HD2      LYS   9  22.154 -17.433 -13.439
   83    HD3  LYS   9           HD3      LYS   9  23.477 -16.278 -13.716
   84    HE2  LYS   9           HE2      LYS   9  24.554 -17.010 -11.590
   85    HE3  LYS   9           HE3      LYS   9  23.250 -18.176 -11.329
   86    HZ1  LYS   9           HZ1      LYS   9  25.195 -19.219 -12.315
   87    HZ2  LYS   9           HZ2      LYS   9  23.949 -19.315 -13.367
   88    HZ3  LYS   9           HZ3      LYS   9  25.154 -18.231 -13.609
   89    H    ARG  10           H        ARG  10  21.790 -11.759 -12.921
   90    HA   ARG  10           HA       ARG  10  22.917 -11.128 -10.239
   91    HB2  ARG  10           HB2      ARG  10  24.525 -12.427 -11.706
   92    HB3  ARG  10           HB3      ARG  10  24.540 -11.067 -12.828
   93    HG2  ARG  10           HG2      ARG  10  25.538  -9.615 -11.137
   94    HG3  ARG  10           HG3      ARG  10  25.270 -10.819  -9.877
   95    HD2  ARG  10           HD2      ARG  10  26.824 -12.374 -11.080
   96    HD3  ARG  10           HD3      ARG  10  27.173 -11.082 -12.232
   97    HE   ARG  10           HE       ARG  10  27.938  -9.715 -10.248
   98   HH11  ARG  10          HH11      ARG  10  28.240 -13.310 -10.060
   99   HH12  ARG  10          HH12      ARG  10  29.680 -13.201  -9.104
  100   HH21  ARG  10          HH21      ARG  10  29.540  -9.677  -8.762
  101   HH22  ARG  10          HH22      ARG  10  30.421 -11.101  -8.295
  102    H    ASN  11           H        ASN  11  23.192  -8.913  -9.825
  103    HA   ASN  11           HA       ASN  11  21.299  -7.154 -10.869
  104    HB2  ASN  11           HB2      ASN  11  22.634  -6.916  -8.692
  105    HB3  ASN  11           HB3      ASN  11  23.990  -6.320  -9.680
  106   HD21  ASN  11          HD22      ASN  11  24.008  -4.253  -8.820
  107   HD22  ASN  11          HD21      ASN  11  22.709  -3.094  -8.985
  108    H    SER  12           H        SER  12  24.640  -7.661 -12.069
  109    HA   SER  12           HA       SER  12  25.138  -5.241 -13.251
  110    HB2  SER  12           HB2      SER  12  26.050  -7.751 -14.626
  111    HB3  SER  12           HB3      SER  12  26.964  -6.305 -14.171
  112    HG   SER  12           HG       SER  12  27.524  -8.053 -12.837
  113    H    SER  13           H        SER  13  23.723  -8.142 -14.851
  114    HA   SER  13           HA       SER  13  23.074  -6.562 -17.215
  115    HB2  SER  13           HB2      SER  13  22.568  -9.514 -16.677
  116    HB3  SER  13           HB3      SER  13  22.611  -8.692 -18.249
  117    HG   SER  13           HG       SER  13  24.588  -9.828 -17.740
  118    H    ARG  14           H        ARG  14  21.028  -6.238 -18.005
  119    HA   ARG  14           HA       ARG  14  18.814  -6.148 -18.305
  120    HB2  ARG  14           HB2      ARG  14  18.481  -8.414 -16.314
  121    HB3  ARG  14           HB3      ARG  14  17.331  -7.898 -17.529
  122    HG2  ARG  14           HG2      ARG  14  20.079  -8.966 -18.306
  123    HG3  ARG  14           HG3      ARG  14  18.749 -10.035 -17.951
  124    HD2  ARG  14           HD2      ARG  14  18.244  -7.875 -19.982
  125    HD3  ARG  14           HD3      ARG  14  19.289  -9.226 -20.418
  126    HE   ARG  14           HE       ARG  14  16.508  -9.586 -19.327
  127   HH11  ARG  14          HH22      ARG  14  18.928 -10.498 -21.799
  128   HH12  ARG  14          HH21      ARG  14  17.923 -11.722 -22.489
  129   HH21  ARG  14          HH11      ARG  14  15.263 -11.203 -20.174
  130   HH22  ARG  14          HH12      ARG  14  15.790 -12.155 -21.540
  131    H    SER  15           H        SER  15  19.365  -6.526 -14.738
  132    HA   SER  15           HA       SER  15  17.173  -4.784 -14.086
  133    HB2  SER  15           HB2      SER  15  19.457  -5.711 -12.320
  134    HB3  SER  15           HB3      SER  15  17.841  -5.178 -11.817
  135    HG   SER  15           HG       SER  15  18.109  -7.509 -11.893
  136    H    GLN  16           H        GLN  16  18.454  -3.245 -15.838
  137    HA   GLN  16           HA       GLN  16  19.938  -1.220 -14.298
  138    HB2  GLN  16           HB2      GLN  16  21.370  -0.813 -16.186
  139    HB3  GLN  16           HB3      GLN  16  21.493  -2.514 -15.767
  140    HG2  GLN  16           HG2      GLN  16  20.255  -3.196 -17.700
  141    HG3  GLN  16           HG3      GLN  16  19.549  -1.591 -17.910
  142   HE21  GLN  16          HE22      GLN  16  22.511  -3.505 -18.644
  143   HE22  GLN  16          HE21      GLN  16  23.204  -2.235 -19.640
  144    H    MET  17           H        MET  17  17.027  -1.512 -15.166
  145    HA   MET  17           HA       MET  17  16.610   1.188 -15.803
  146    HB2  MET  17           HB2      MET  17  16.945  -0.465 -18.165
  147    HB3  MET  17           HB3      MET  17  15.268   0.046 -18.096
  148    HG2  MET  17           HG2      MET  17  17.602   1.889 -17.786
  149    HG3  MET  17           HG3      MET  17  16.809   1.563 -19.327
  150    HE1  MET  17           HE1      MET  17  15.972   4.757 -16.343
  151    HE2  MET  17           HE2      MET  17  15.483   3.228 -15.566
  152    HE3  MET  17           HE3      MET  17  17.153   3.462 -16.167
  153    H    ALA  18           H        ALA  18  15.044  -2.086 -15.859
  154    HA   ALA  18           HA       ALA  18  12.405  -0.941 -15.931
  155    HB1  ALA  18           HB1      ALA  18  12.895  -3.278 -16.658
  156    HB2  ALA  18           HB2      ALA  18  13.219  -3.707 -14.956
  157    HB3  ALA  18           HB3      ALA  18  11.595  -3.183 -15.442
  158    H    GLU  19           H        GLU  19  14.164  -2.297 -13.182
  159    HA   GLU  19           HA       GLU  19  12.325  -1.457 -11.185
  160    HB2  GLU  19           HB2      GLU  19  14.151  -1.876  -9.674
  161    HB3  GLU  19           HB3      GLU  19  14.141  -3.126 -10.909
  162    HG2  GLU  19           HG2      GLU  19  16.019  -0.787 -10.614
  163    HG3  GLU  19           HG3      GLU  19  16.425  -2.484 -10.446
  164    H    GLY  20           H        GLY  20  15.064   0.232 -12.800
  165    HA2  GLY  20           HA2      GLY  20  15.140   2.609 -11.373
  166    HA3  GLY  20           HA3      GLY  20  15.482   2.434 -13.096
  167    H    PHE  21           H        PHE  21  13.176   1.925 -14.338
  168    HA   PHE  21           HA       PHE  21  11.688   4.349 -14.151
  169    HB2  PHE  21           HB2      PHE  21  11.544   1.847 -15.750
  170    HB3  PHE  21           HB3      PHE  21   9.998   2.642 -15.506
  171    HD1  PHE  21           HD2      PHE  21  10.198   5.392 -15.599
  172    HD2  PHE  21           HD1      PHE  21  12.742   2.554 -17.610
  173    HE1  PHE  21           HE2      PHE  21  10.712   7.083 -17.369
  174    HE2  PHE  21           HE1      PHE  21  13.348   4.252 -19.284
  175    HZ   PHE  21           HZ       PHE  21  12.267   6.514 -19.221
  176    H    ALA  22           H        ALA  22  11.170   1.163 -12.639
  177    HA   ALA  22           HA       ALA  22   8.463   1.764 -12.050
  178    HB1  ALA  22           HB1      ALA  22   9.443  -0.506 -12.112
  179    HB2  ALA  22           HB2      ALA  22  10.343  -0.178 -10.618
  180    HB3  ALA  22           HB3      ALA  22   8.556  -0.209 -10.586
  181    H    LYS  23           H        LYS  23  11.472   2.252 -10.027
  182    HA   LYS  23           HA       LYS  23   9.917   3.354  -7.871
  183    HB2  LYS  23           HB2      LYS  23  11.785   4.047  -6.818
  184    HB3  LYS  23           HB3      LYS  23  12.428   2.706  -7.729
  185    HG2  LYS  23           HG2      LYS  23  12.696   5.542  -8.859
  186    HG3  LYS  23           HG3      LYS  23  13.640   5.096  -7.464
  187    HD2  LYS  23           HD2      LYS  23  13.700   3.182  -9.738
  188    HD3  LYS  23           HD3      LYS  23  14.487   4.727 -10.037
  189    HE2  LYS  23           HE2      LYS  23  15.075   3.034  -7.545
  190    HE3  LYS  23           HE3      LYS  23  15.887   2.711  -9.082
  191    HZ1  LYS  23           HZ1      LYS  23  16.021   5.372  -7.748
  192    HZ2  LYS  23           HZ2      LYS  23  17.145   4.202  -7.565
  193    HZ3  LYS  23           HZ3      LYS  23  16.923   4.851  -9.038
  194    H    THR  24           H        THR  24  11.067   4.739 -10.928
  195    HA   THR  24           HA       THR  24  10.681   7.423 -10.244
  196    HB   THR  24           HB       THR  24  10.997   5.821 -12.759
  197    HG1  THR  24           HG1      THR  24  12.853   6.015 -11.678
  198   HG21  THR  24          HG21      THR  24   9.695   7.570 -13.544
  199   HG22  THR  24          HG22      THR  24  10.568   8.793 -12.561
  200   HG23  THR  24          HG23      THR  24  11.377   7.986 -13.930
  201    H    LEU  25           H        LEU  25   8.655   5.196 -12.125
  202    HA   LEU  25           HA       LEU  25   6.496   7.069 -12.502
  203    HB2  LEU  25           HB2      LEU  25   6.778   4.063 -12.930
  204    HB3  LEU  25           HB3      LEU  25   5.372   4.980 -13.469
  205    HG   LEU  25           HG       LEU  25   8.189   5.659 -14.383
  206   HD11  LEU  25          HD11      LEU  25   6.225   3.686 -15.603
  207   HD12  LEU  25          HD12      LEU  25   7.670   4.322 -16.436
  208   HD13  LEU  25          HD13      LEU  25   7.844   3.352 -14.961
  209   HD21  LEU  25          HD21      LEU  25   5.462   6.223 -15.623
  210   HD22  LEU  25          HD22      LEU  25   6.477   7.412 -14.782
  211   HD23  LEU  25          HD23      LEU  25   7.037   6.697 -16.297
  212    H    GLY  26           H        GLY  26   7.083   4.347 -10.266
  213    HA2  GLY  26           HA2      GLY  26   4.296   4.386  -9.309
  214    HA3  GLY  26           HA3      GLY  26   5.535   3.158  -9.061
  215    H    ALA  27           H        ALA  27   6.866   6.204  -8.377
  216    HA   ALA  27           HA       ALA  27   7.826   5.665  -5.982
  217    HB1  ALA  27           HB1      ALA  27   8.321   7.722  -7.293
  218    HB2  ALA  27           HB2      ALA  27   6.774   8.423  -6.777
  219    HB3  ALA  27           HB3      ALA  27   8.048   8.084  -5.582
  220    H    GLY  28           H        GLY  28   4.636   7.272  -6.268
  221    HA2  GLY  28           HA2      GLY  28   4.322   7.331  -3.354
  222    HA3  GLY  28           HA3      GLY  28   3.241   8.032  -4.564
  223    H    LYS  29           H        LYS  29   3.714   4.858  -5.538
  224    HA   LYS  29           HA       LYS  29   1.314   3.919  -4.014
  225    HB2  LYS  29           HB2      LYS  29   0.397   2.966  -6.136
  226    HB3  LYS  29           HB3      LYS  29   0.461   4.725  -6.063
  227    HG2  LYS  29           HG2      LYS  29   2.621   4.601  -7.456
  228    HG3  LYS  29           HG3      LYS  29   2.289   2.878  -7.637
  229    HD2  LYS  29           HD2      LYS  29   1.405   3.852  -9.598
  230    HD3  LYS  29           HD3      LYS  29  -0.023   3.636  -8.573
  231    HE2  LYS  29           HE2      LYS  29   0.236   6.047  -7.824
  232    HE3  LYS  29           HE3      LYS  29   1.573   6.210  -8.971
  233    HZ1  LYS  29           HZ1      LYS  29  -1.247   5.593  -9.703
  234    HZ2  LYS  29           HZ2      LYS  29  -0.496   7.025  -9.906
  235    HZ3  LYS  29           HZ3      LYS  29  -0.009   5.731 -10.770
  236    H    ILE  30           H        ILE  30   4.435   2.996  -5.412
  237    HA   ILE  30           HA       ILE  30   4.117   0.363  -4.119
  238    HB   ILE  30           HB       ILE  30   4.954  -0.782  -6.150
  239   HG12  ILE  30          HG12      ILE  30   4.479   1.899  -7.503
  240   HG13  ILE  30          HG13      ILE  30   6.010   1.027  -7.370
  241   HG21  ILE  30          HG21      ILE  30   2.515  -0.579  -5.475
  242   HG22  ILE  30          HG22      ILE  30   2.329   0.618  -6.767
  243   HG23  ILE  30          HG23      ILE  30   2.829  -1.043  -7.153
  244   HD11  ILE  30          HD11      ILE  30   3.609   0.381  -9.132
  245   HD12  ILE  30          HD12      ILE  30   5.298   0.721  -9.576
  246   HD13  ILE  30          HD13      ILE  30   4.879  -0.810  -8.808
  247    H    ALA  31           H        ALA  31   6.044  -0.747  -3.743
  248    HA   ALA  31           HA       ALA  31   8.514   0.933  -3.589
  249    HB1  ALA  31           HB1      ALA  31   9.270  -0.677  -1.858
  250    HB2  ALA  31           HB2      ALA  31   7.725   0.077  -1.372
  251    HB3  ALA  31           HB3      ALA  31   7.775  -1.585  -2.008
  252    H    VAL  32           H        VAL  32  10.536  -0.300  -4.144
  253    HA   VAL  32           HA       VAL  32  10.140  -2.583  -6.023
  254    HB   VAL  32           HB       VAL  32  11.693  -0.043  -6.690
  255   HG11  VAL  32          HG11      VAL  32  12.548  -2.086  -7.778
  256   HG12  VAL  32          HG12      VAL  32  10.909  -2.478  -8.357
  257   HG13  VAL  32          HG13      VAL  32  11.771  -1.030  -8.953
  258   HG21  VAL  32          HG21      VAL  32   8.942  -0.881  -7.709
  259   HG22  VAL  32          HG22      VAL  32   9.325   0.568  -6.752
  260   HG23  VAL  32          HG23      VAL  32   9.949   0.419  -8.381
  261    H    THR  33           H        THR  33  11.666  -4.088  -5.643
  262    HA   THR  33           HA       THR  33  14.319  -3.322  -4.597
  263    HB   THR  33           HB       THR  33  12.604  -5.682  -3.813
  264    HG1  THR  33           HG1      THR  33  12.276  -4.678  -1.866
  265   HG21  THR  33          HG21      THR  33  14.992  -6.216  -3.621
  266   HG22  THR  33          HG22      THR  33  15.278  -4.734  -2.674
  267   HG23  THR  33          HG23      THR  33  14.298  -6.068  -2.006
  268    H    SER  34           H        SER  34  15.533  -3.776  -6.514
  269    HA   SER  34           HA       SER  34  14.694  -6.090  -8.066
  270    HB2  SER  34           HB2      SER  34  16.935  -5.449  -9.329
  271    HB3  SER  34           HB3      SER  34  15.504  -4.425  -9.464
  272    HG   SER  34           HG       SER  34  17.795  -3.981  -7.816
  273    H    SER  35           H        SER  35  14.932  -7.986  -6.963
  274    HA   SER  35           HA       SER  35  17.237  -8.586  -5.329
  275    HB2  SER  35           HB2      SER  35  16.084 -10.844  -5.326
  276    HB3  SER  35           HB3      SER  35  15.100  -9.476  -4.773
  277    HG   SER  35           HG       SER  35  13.884 -10.676  -6.245
  278    H    GLY  36           H        GLY  36  18.166 -11.041  -5.959
  279    HA2  GLY  36           HA2      GLY  36  18.821 -11.595  -8.637
  280    HA3  GLY  36           HA3      GLY  36  20.139 -10.687  -7.856
  281    H    LEU  37           H        LEU  37  20.683 -13.276  -8.480
  282    HA   LEU  37           HA       LEU  37  20.522 -14.750  -5.943
  283    HB2  LEU  37           HB2      LEU  37  20.821 -15.560  -8.827
  284    HB3  LEU  37           HB3      LEU  37  21.256 -16.684  -7.525
  285    HG   LEU  37           HG       LEU  37  18.559 -15.303  -7.521
  286   HD11  LEU  37          HD11      LEU  37  19.186 -17.890  -9.004
  287   HD12  LEU  37          HD12      LEU  37  17.573 -17.194  -8.729
  288   HD13  LEU  37          HD13      LEU  37  18.739 -16.334  -9.746
  289   HD21  LEU  37          HD21      LEU  37  19.258 -16.577  -5.486
  290   HD22  LEU  37          HD22      LEU  37  17.860 -17.330  -6.279
  291   HD23  LEU  37          HD23      LEU  37  19.474 -18.028  -6.476
  292    H    GLU  38           H        GLU  38  22.489 -13.014  -8.114
  293    HA   GLU  38           HA       GLU  38  24.822 -13.275  -6.357
  294    HB2  GLU  38           HB2      GLU  38  24.714 -13.399  -9.401
  295    HB3  GLU  38           HB3      GLU  38  26.138 -12.768  -8.553
  296    HG2  GLU  38           HG2      GLU  38  26.503 -14.791  -7.387
  297    HG3  GLU  38           HG3      GLU  38  24.956 -15.475  -7.916
  298    H    SER  39           H        SER  39  26.129 -11.177  -6.502
  299    HA   SER  39           HA       SER  39  24.632  -9.013  -7.764
  300    HB2  SER  39           HB2      SER  39  24.502  -7.705  -5.685
  301    HB3  SER  39           HB3      SER  39  23.576  -9.238  -5.646
  302    HG   SER  39           HG       SER  39  24.745  -8.914  -3.692
  303    H    SER  40           H        SER  40  25.512  -7.000  -7.672
  304    HA   SER  40           HA       SER  40  28.288  -6.356  -7.668
  305    HB2  SER  40           HB2      SER  40  26.854  -7.414 -10.142
  306    HB3  SER  40           HB3      SER  40  28.129  -6.199 -10.329
  307    HG   SER  40           HG       SER  40  29.625  -7.601  -9.776
  308    H    ARG  41           H        ARG  41  28.155  -4.232  -9.295
  309    HA   ARG  41           HA       ARG  41  25.634  -2.770  -8.619
  310    HB2  ARG  41           HB2      ARG  41  28.186  -1.854  -8.346
  311    HB3  ARG  41           HB3      ARG  41  27.951  -1.468 -10.057
  312    HG2  ARG  41           HG2      ARG  41  25.982  -0.065  -9.471
  313    HG3  ARG  41           HG3      ARG  41  26.138  -0.554  -7.783
  314    HD2  ARG  41           HD2      ARG  41  27.074   1.650  -8.044
  315    HD3  ARG  41           HD3      ARG  41  28.376   0.505  -7.679
  316    HE   ARG  41           HE       ARG  41  28.152   0.751 -10.513
  317   HH11  ARG  41          HH21      ARG  41  29.161   2.711  -7.719
  318   HH12  ARG  41          HH22      ARG  41  30.298   3.652  -8.614
  319   HH21  ARG  41          HH11      ARG  41  29.698   1.992 -11.700
  320   HH22  ARG  41          HH12      ARG  41  30.602   3.238 -10.923
  321    H    VAL  42           H        VAL  42  24.941  -1.338 -10.536
  322    HA   VAL  42           HA       VAL  42  24.218  -3.112 -12.646
  323    HB   VAL  42           HB       VAL  42  22.976  -1.251 -13.461
  324   HG11  VAL  42          HG11      VAL  42  22.117  -2.351 -11.416
  325   HG12  VAL  42          HG12      VAL  42  22.854  -1.048 -10.438
  326   HG13  VAL  42          HG13      VAL  42  21.578  -0.677 -11.606
  327   HG21  VAL  42          HG21      VAL  42  24.742   0.475 -11.686
  328   HG22  VAL  42          HG22      VAL  42  24.444   0.603 -13.439
  329   HG23  VAL  42          HG23      VAL  42  23.172   1.037 -12.288
  330    H    HIS  43           H        HIS  43  24.617  -2.501 -15.058
  331    HA   HIS  43           HA       HIS  43  27.399  -2.326 -15.599
  332    HB2  HIS  43           HB2      HIS  43  24.901  -2.118 -17.329
  333    HB3  HIS  43           HB3      HIS  43  26.517  -2.012 -17.991
  334    HD1  HIS  43           HD1      HIS  43  24.713  -4.492 -18.935
  335    HD2  HIS  43           HD2      HIS  43  27.506  -4.457 -15.757
  336    HE1  HIS  43           HE1      HIS  43  25.454  -6.870 -18.592
  337    HA   PRO  44           HA       PRO  44  28.384   1.830 -15.442
  338    HB2  PRO  44           HB2      PRO  44  30.312   2.230 -17.382
  339    HB3  PRO  44           HB3      PRO  44  30.567   1.290 -15.876
  340    HG2  PRO  44           HG2      PRO  44  29.855   0.239 -18.639
  341    HG3  PRO  44           HG3      PRO  44  31.120  -0.354 -17.518
  342    HD2  PRO  44           HD2      PRO  44  28.716  -1.573 -17.655
  343    HD3  PRO  44           HD3      PRO  44  29.509  -1.334 -16.073
  344    H    THR  45           H        THR  45  28.142   1.263 -19.068
  345    HA   THR  45           HA       THR  45  27.524   3.990 -19.565
  346    HB   THR  45           HB       THR  45  26.933   1.592 -21.255
  347    HG1  THR  45           HG1      THR  45  29.019   1.792 -21.989
  348   HG21  THR  45          HG21      THR  45  27.260   3.151 -23.185
  349   HG22  THR  45          HG22      THR  45  25.871   3.594 -22.201
  350   HG23  THR  45          HG23      THR  45  27.381   4.504 -22.035
  351    H    ALA  46           H        ALA  46  25.511   1.323 -18.502
  352    HA   ALA  46           HA       ALA  46  22.956   2.358 -19.090
  353    HB1  ALA  46           HB1      ALA  46  23.727   1.060 -16.413
  354    HB2  ALA  46           HB2      ALA  46  22.158   1.049 -17.230
  355    HB3  ALA  46           HB3      ALA  46  23.516   0.115 -17.899
  356    H    ILE  47           H        ILE  47  25.094   3.126 -16.310
  357    HA   ILE  47           HA       ILE  47  23.121   4.726 -15.049
  358    HB   ILE  47           HB       ILE  47  26.200   4.743 -14.959
  359   HG12  ILE  47          HG12      ILE  47  24.208   3.791 -12.873
  360   HG13  ILE  47          HG13      ILE  47  24.902   2.739 -14.107
  361   HG21  ILE  47          HG21      ILE  47  25.682   6.969 -14.290
  362   HG22  ILE  47          HG22      ILE  47  24.288   6.445 -13.329
  363   HG23  ILE  47          HG23      ILE  47  25.938   6.090 -12.784
  364   HD11  ILE  47          HD11      ILE  47  26.144   2.418 -12.092
  365   HD12  ILE  47          HD12      ILE  47  27.191   3.262 -13.246
  366   HD13  ILE  47          HD13      ILE  47  26.434   4.143 -11.893
  367    H    ALA  48           H        ALA  48  25.602   5.599 -17.481
  368    HA   ALA  48           HA       ALA  48  25.010   8.375 -17.433
  369    HB1  ALA  48           HB1      ALA  48  26.171   8.392 -19.662
  370    HB2  ALA  48           HB2      ALA  48  27.090   7.511 -18.432
  371    HB3  ALA  48           HB3      ALA  48  26.177   6.616 -19.668
  372    H    MET  49           H        MET  49  23.737   5.741 -19.551
  373    HA   MET  49           HA       MET  49  22.062   7.474 -21.112
  374    HB2  MET  49           HB2      MET  49  21.955   4.476 -20.483
  375    HB3  MET  49           HB3      MET  49  20.916   5.261 -21.680
  376    HG2  MET  49           HG2      MET  49  23.964   5.355 -21.729
  377    HG3  MET  49           HG3      MET  49  23.008   4.239 -22.655
  378    HE1  MET  49           HE1      MET  49  25.209   6.290 -23.657
  379    HE2  MET  49           HE2      MET  49  24.618   7.875 -24.224
  380    HE3  MET  49           HE3      MET  49  24.661   7.511 -22.477
  381    H    MET  50           H        MET  50  21.593   5.773 -18.060
  382    HA   MET  50           HA       MET  50  18.731   6.145 -18.099
  383    HB2  MET  50           HB2      MET  50  20.540   5.121 -15.908
  384    HB3  MET  50           HB3      MET  50  18.784   5.088 -15.898
  385    HG2  MET  50           HG2      MET  50  20.665   3.217 -17.147
  386    HG3  MET  50           HG3      MET  50  19.046   2.975 -16.685
  387    HE1  MET  50           HE1      MET  50  19.337   1.555 -20.438
  388    HE2  MET  50           HE2      MET  50  20.743   1.679 -19.370
  389    HE3  MET  50           HE3      MET  50  19.217   1.080 -18.724
  390    H    GLU  51           H        GLU  51  21.580   7.783 -16.693
  391    HA   GLU  51           HA       GLU  51  20.051   9.674 -15.215
  392    HB2  GLU  51           HB2      GLU  51  22.416   9.184 -14.738
  393    HB3  GLU  51           HB3      GLU  51  22.882   9.802 -16.331
  394    HG2  GLU  51           HG2      GLU  51  22.147  12.052 -15.723
  395    HG3  GLU  51           HG3      GLU  51  21.499  11.458 -14.190
  396    H    GLU  52           H        GLU  52  20.930   9.295 -18.626
  397    HA   GLU  52           HA       GLU  52  20.273  11.990 -19.318
  398    HB2  GLU  52           HB2      GLU  52  20.586   9.506 -21.008
  399    HB3  GLU  52           HB3      GLU  52  19.993  11.006 -21.689
  400    HG2  GLU  52           HG2      GLU  52  22.598  10.862 -20.136
  401    HG3  GLU  52           HG3      GLU  52  22.501  10.532 -21.862
  402    H    VAL  53           H        VAL  53  18.338   9.090 -18.765
  403    HA   VAL  53           HA       VAL  53  15.924  10.706 -19.431
  404    HB   VAL  53           HB       VAL  53  16.153   8.407 -20.306
  405   HG11  VAL  53          HG11      VAL  53  15.530   7.594 -17.443
  406   HG12  VAL  53          HG12      VAL  53  15.339   6.531 -18.845
  407   HG13  VAL  53          HG13      VAL  53  16.938   7.146 -18.419
  408   HG21  VAL  53          HG21      VAL  53  13.608   8.891 -18.737
  409   HG22  VAL  53          HG22      VAL  53  14.036   9.687 -20.269
  410   HG23  VAL  53          HG23      VAL  53  13.819   7.938 -20.221
  411    H    GLY  54           H        GLY  54  17.920  10.926 -17.022
  412    HA2  GLY  54           HA2      GLY  54  17.682  12.046 -15.073
  413    HA3  GLY  54           HA3      GLY  54  15.934  12.077 -15.305
  414    H    ILE  55           H        ILE  55  17.474   8.904 -15.307
  415    HA   ILE  55           HA       ILE  55  16.313   8.384 -12.613
  416    HB   ILE  55           HB       ILE  55  16.631   6.585 -14.955
  417   HG12  ILE  55          HG12      ILE  55  14.272   7.892 -13.562
  418   HG13  ILE  55          HG13      ILE  55  14.725   7.995 -15.256
  419   HG21  ILE  55          HG21      ILE  55  15.657   4.789 -13.606
  420   HG22  ILE  55          HG22      ILE  55  17.121   5.334 -12.843
  421   HG23  ILE  55          HG23      ILE  55  15.555   5.872 -12.190
  422   HD11  ILE  55          HD11      ILE  55  14.105   5.563 -15.521
  423   HD12  ILE  55          HD12      ILE  55  13.550   5.593 -13.824
  424   HD13  ILE  55          HD13      ILE  55  12.769   6.615 -15.042
  425    H    ASP  56           H        ASP  56  17.619   7.751 -11.007
  426    HA   ASP  56           HA       ASP  56  20.471   7.127 -11.553
  427    HB2  ASP  56           HB2      ASP  56  19.931   8.601  -9.653
  428    HB3  ASP  56           HB3      ASP  56  18.911   7.352  -8.946
  429    H    ILE  57           H        ILE  57  20.945   5.044 -11.991
  430    HA   ILE  57           HA       ILE  57  19.333   2.893 -10.686
  431    HB   ILE  57           HB       ILE  57  20.252   1.353 -12.394
  432   HG12  ILE  57          HG12      ILE  57  20.947   3.793 -14.082
  433   HG13  ILE  57          HG13      ILE  57  22.133   3.051 -13.029
  434   HG21  ILE  57          HG21      ILE  57  18.734   1.852 -14.215
  435   HG22  ILE  57          HG22      ILE  57  17.953   2.165 -12.667
  436   HG23  ILE  57          HG23      ILE  57  18.538   3.532 -13.652
  437   HD11  ILE  57          HD11      ILE  57  20.840   1.822 -15.402
  438   HD12  ILE  57          HD12      ILE  57  22.544   2.070 -14.997
  439   HD13  ILE  57          HD13      ILE  57  21.614   0.824 -14.140
  440    H    SER  58           H        SER  58  22.506   4.265 -11.292
  441    HA   SER  58           HA       SER  58  24.451   2.842 -10.408
  442    HB2  SER  58           HB2      SER  58  23.991   5.434  -8.958
  443    HB3  SER  58           HB3      SER  58  25.416   4.908  -9.879
  444    HG   SER  58           HG       SER  58  24.110   6.616 -10.848
  445    H    GLY  59           H        GLY  59  22.072   4.184  -8.076
  446    HA2  GLY  59           HA2      GLY  59  23.435   3.228  -5.743
  447    HA3  GLY  59           HA3      GLY  59  21.791   3.872  -5.839
  448    H    GLN  60           H        GLN  60  21.749   1.305  -8.012
  449    HA   GLN  60           HA       GLN  60  20.212  -0.269  -6.146
  450    HB2  GLN  60           HB2      GLN  60  20.968  -0.673  -9.052
  451    HB3  GLN  60           HB3      GLN  60  20.109  -1.884  -8.093
  452    HG2  GLN  60           HG2      GLN  60  18.168  -0.551  -7.904
  453    HG3  GLN  60           HG3      GLN  60  19.059   0.960  -8.107
  454   HE21  GLN  60          HE22      GLN  60  19.315  -1.753 -10.543
  455   HE22  GLN  60          HE21      GLN  60  18.355  -0.869 -11.717
  456    H    THR  61           H        THR  61  21.273  -1.483  -4.685
  457    HA   THR  61           HA       THR  61  22.566  -3.726  -5.820
  458    HB   THR  61           HB       THR  61  24.058  -3.545  -3.533
  459    HG1  THR  61           HG1      THR  61  24.663  -1.473  -3.045
  460   HG21  THR  61          HG21      THR  61  24.880  -2.021  -6.032
  461   HG22  THR  61          HG22      THR  61  25.960  -2.746  -4.824
  462   HG23  THR  61          HG23      THR  61  24.962  -3.788  -5.850
  463    H    SER  62           H        SER  62  22.215  -5.668  -4.198
  464    HA   SER  62           HA       SER  62  20.147  -5.200  -2.203
  465    HB2  SER  62           HB2      SER  62  19.682  -6.882  -4.705
  466    HB3  SER  62           HB3      SER  62  18.548  -6.634  -3.377
  467    HG   SER  62           HG       SER  62  18.333  -5.367  -5.415
  468    H    ASP  63           H        ASP  63  19.765  -7.111  -1.039
  469    HA   ASP  63           HA       ASP  63  21.904  -9.035  -0.720
  470    HB2  ASP  63           HB2      ASP  63  19.218  -8.381   0.391
  471    HB3  ASP  63           HB3      ASP  63  19.727 -10.059   0.555
  472    HA   PRO  64           HA       PRO  64  20.433 -12.173  -3.596
  473    HB2  PRO  64           HB2      PRO  64  20.486 -14.526  -2.175
  474    HB3  PRO  64           HB3      PRO  64  21.961 -13.689  -2.746
  475    HG2  PRO  64           HG2      PRO  64  20.679 -13.496   0.010
  476    HG3  PRO  64           HG3      PRO  64  22.395 -13.824  -0.392
  477    HD2  PRO  64           HD2      PRO  64  21.552 -11.346   0.237
  478    HD3  PRO  64           HD3      PRO  64  22.759 -11.572  -1.064
  479    H    ILE  65           H        ILE  65  18.466 -13.229  -4.140
  480    HA   ILE  65           HA       ILE  65  16.165 -12.164  -3.050
  481    HB   ILE  65           HB       ILE  65  16.587 -13.171  -5.308
  482   HG12  ILE  65          HG12      ILE  65  13.984 -13.997  -4.018
  483   HG13  ILE  65          HG13      ILE  65  14.368 -12.354  -4.498
  484   HG21  ILE  65          HG21      ILE  65  16.173 -15.475  -5.798
  485   HG22  ILE  65          HG22      ILE  65  17.408 -15.410  -4.533
  486   HG23  ILE  65          HG23      ILE  65  15.731 -15.826  -4.116
  487   HD11  ILE  65          HD11      ILE  65  13.011 -13.304  -6.234
  488   HD12  ILE  65          HD12      ILE  65  14.661 -13.202  -6.879
  489   HD13  ILE  65          HD13      ILE  65  14.009 -14.761  -6.331
  490    H    GLU  66           H        GLU  66  17.893 -14.978  -1.896
  491    HA   GLU  66           HA       GLU  66  15.790 -16.412  -0.732
  492    HB2  GLU  66           HB2      GLU  66  17.844 -17.439  -1.415
  493    HB3  GLU  66           HB3      GLU  66  18.824 -16.175  -0.628
  494    HG2  GLU  66           HG2      GLU  66  18.352 -16.947   1.502
  495    HG3  GLU  66           HG3      GLU  66  17.117 -18.099   0.929
  496    H    ASN  67           H        ASN  67  17.666 -13.610   0.171
  497    HA   ASN  67           HA       ASN  67  17.577 -13.705   2.999
  498    HB2  ASN  67           HB2      ASN  67  18.984 -12.219   1.456
  499    HB3  ASN  67           HB3      ASN  67  17.542 -11.214   1.246
  500   HD21  ASN  67          HD22      ASN  67  20.069 -12.287   3.485
  501   HD22  ASN  67          HD21      ASN  67  19.737 -11.116   4.739
  502    H    PHE  68           H        PHE  68  15.178 -12.709   0.618
  503    HA   PHE  68           HA       PHE  68  13.480 -11.334   2.627
  504    HB2  PHE  68           HB2      PHE  68  12.914 -11.606  -0.316
  505    HB3  PHE  68           HB3      PHE  68  12.374 -10.345   0.781
  506    HD1  PHE  68           HD1      PHE  68  14.365  -8.834   1.792
  507    HD2  PHE  68           HD2      PHE  68  14.583 -11.210  -1.784
  508    HE1  PHE  68           HE1      PHE  68  16.257  -7.428   0.984
  509    HE2  PHE  68           HE2      PHE  68  16.513  -9.820  -2.593
  510    HZ   PHE  68           HZ       PHE  68  17.325  -7.924  -1.211
  511    H    ASN  69           H        ASN  69  10.970 -11.753   1.518
  512    HA   ASN  69           HA       ASN  69  10.572 -14.574   1.093
  513    HB2  ASN  69           HB2      ASN  69  10.055 -14.057   3.579
  514    HB3  ASN  69           HB3      ASN  69   8.781 -12.973   2.956
  515   HD21  ASN  69          HD22      ASN  69   8.270 -15.191   4.742
  516   HD22  ASN  69          HD21      ASN  69   7.279 -16.325   3.855
  517    H    ALA  70           H        ALA  70   8.706 -14.876  -0.344
  518    HA   ALA  70           HA       ALA  70   8.388 -12.471  -1.890
  519    HB1  ALA  70           HB1      ALA  70   7.128 -15.177  -2.452
  520    HB2  ALA  70           HB2      ALA  70   7.454 -13.883  -3.615
  521    HB3  ALA  70           HB3      ALA  70   8.793 -14.833  -2.939
  522    H    ASP  71           H        ASP  71   6.756 -14.400   0.486
  523    HA   ASP  71           HA       ASP  71   4.138 -13.640  -0.131
  524    HB2  ASP  71           HB2      ASP  71   4.694 -15.547   1.333
  525    HB3  ASP  71           HB3      ASP  71   5.388 -14.441   2.526
  526    H    ASP  72           H        ASP  72   6.744 -11.860   1.402
  527    HA   ASP  72           HA       ASP  72   5.076  -9.957   2.795
  528    HB2  ASP  72           HB2      ASP  72   7.386 -10.504   3.533
  529    HB3  ASP  72           HB3      ASP  72   7.999  -9.836   2.013
  530    H    TYR  73           H        TYR  73   6.420 -10.416  -0.370
  531    HA   TYR  73           HA       TYR  73   6.046  -7.680  -1.277
  532    HB2  TYR  73           HB2      TYR  73   7.296 -10.175  -2.444
  533    HB3  TYR  73           HB3      TYR  73   6.845  -8.839  -3.489
  534    HD1  TYR  73           HD2      TYR  73   8.727  -9.467  -0.272
  535    HD2  TYR  73           HD1      TYR  73   8.375  -7.101  -3.865
  536    HE1  TYR  73           HE2      TYR  73  10.629  -8.090   0.467
  537    HE2  TYR  73           HE1      TYR  73  10.294  -5.716  -3.133
  538    HH   TYR  73           HH       TYR  73  11.974  -6.255   0.020
  539    H    ASP  74           H        ASP  74   4.902  -7.470  -3.489
  540    HA   ASP  74           HA       ASP  74   2.321  -9.009  -3.401
  541    HB2  ASP  74           HB2      ASP  74   2.040  -6.673  -2.744
  542    HB3  ASP  74           HB3      ASP  74   2.826  -6.145  -4.233
  543    H    VAL  75           H        VAL  75   4.851  -7.514  -5.477
  544    HA   VAL  75           HA       VAL  75   3.927  -9.213  -7.721
  545    HB   VAL  75           HB       VAL  75   2.876  -7.297  -8.267
  546   HG11  VAL  75          HG11      VAL  75   4.937  -5.523  -7.025
  547   HG12  VAL  75          HG12      VAL  75   3.568  -4.975  -8.004
  548   HG13  VAL  75          HG13      VAL  75   3.283  -5.801  -6.486
  549   HG21  VAL  75          HG21      VAL  75   5.627  -6.743  -9.423
  550   HG22  VAL  75          HG22      VAL  75   4.432  -7.838 -10.098
  551   HG23  VAL  75          HG23      VAL  75   4.089  -6.096 -10.028
  552    H    VAL  76           H        VAL  76   5.521  -9.993  -9.069
  553    HA   VAL  76           HA       VAL  76   8.323  -9.189  -8.577
  554    HB   VAL  76           HB       VAL  76   7.148 -11.972  -8.371
  555   HG11  VAL  76          HG11      VAL  76  10.099 -11.142  -8.274
  556   HG12  VAL  76          HG12      VAL  76   9.476 -12.755  -7.910
  557   HG13  VAL  76          HG13      VAL  76   9.319 -12.124  -9.538
  558   HG21  VAL  76          HG21      VAL  76   7.948 -12.072  -6.099
  559   HG22  VAL  76          HG22      VAL  76   8.734 -10.474  -6.215
  560   HG23  VAL  76          HG23      VAL  76   6.966 -10.639  -6.230
  561    H    ILE  77           H        ILE  77   9.478  -9.262 -10.466
  562    HA   ILE  77           HA       ILE  77   8.142 -10.277 -12.929
  563    HB   ILE  77           HB       ILE  77   9.750  -7.742 -12.453
  564   HG12  ILE  77          HG12      ILE  77   7.501  -7.494 -11.510
  565   HG13  ILE  77          HG13      ILE  77   7.793  -6.439 -12.862
  566   HG21  ILE  77          HG21      ILE  77  10.301  -8.400 -14.643
  567   HG22  ILE  77          HG22      ILE  77   8.610  -8.839 -15.028
  568   HG23  ILE  77          HG23      ILE  77   9.079  -7.141 -14.810
  569   HD11  ILE  77          HD11      ILE  77   6.269  -9.072 -13.129
  570   HD12  ILE  77          HD12      ILE  77   5.511  -7.516 -12.792
  571   HD13  ILE  77          HD13      ILE  77   6.381  -7.746 -14.314
  572    H    SER  78           H        SER  78   9.447 -11.605 -14.084
  573    HA   SER  78           HA       SER  78  12.305 -11.757 -13.337
  574    HB2  SER  78           HB2      SER  78  10.457 -13.546 -14.923
  575    HB3  SER  78           HB3      SER  78  12.231 -13.657 -15.066
  576    HG   SER  78           HG       SER  78  11.612 -15.038 -13.410
  577    H    LEU  79           H        LEU  79  13.781 -10.800 -14.550
  578    HA   LEU  79           HA       LEU  79  12.983  -9.498 -17.121
  579    HB2  LEU  79           HB2      LEU  79  15.380  -9.110 -15.286
  580    HB3  LEU  79           HB3      LEU  79  15.251  -8.403 -16.896
  581    HG   LEU  79           HG       LEU  79  13.237  -7.854 -14.690
  582   HD11  LEU  79          HD11      LEU  79  15.492  -7.051 -14.030
  583   HD12  LEU  79          HD12      LEU  79  15.682  -6.259 -15.613
  584   HD13  LEU  79          HD13      LEU  79  14.479  -5.667 -14.462
  585   HD21  LEU  79          HD21      LEU  79  12.645  -5.907 -16.099
  586   HD22  LEU  79          HD22      LEU  79  13.809  -6.441 -17.334
  587   HD23  LEU  79          HD23      LEU  79  12.368  -7.416 -16.961
  588    H    CYS  80           H        CYS  80  14.220 -12.395 -15.948
  589    HA   CYS  80           HA       CYS  80  14.677 -13.252 -18.570
  590    HB2  CYS  80           HB2      CYS  80  16.999 -13.957 -18.438
  591    HB3  CYS  80           HB3      CYS  80  16.980 -12.238 -18.083
  592    H    GLY  81           H        GLY  81  14.843 -15.628 -18.600
  593    HA2  GLY  81           HA2      GLY  81  14.688 -17.765 -17.841
  594    HA3  GLY  81           HA3      GLY  81  15.341 -17.185 -16.314
  595    H    SER  82           H        SER  82  14.080 -18.806 -15.354
  596    HA   SER  82           HA       SER  82  11.233 -18.226 -14.794
  597    HB2  SER  82           HB2      SER  82  12.286 -20.949 -15.697
  598    HB3  SER  82           HB3      SER  82  10.604 -20.515 -15.347
  599    HG   SER  82           HG       SER  82  11.050 -20.564 -17.610
  600    H    GLY  83           H        GLY  83  10.884 -20.631 -13.219
  601    HA2  GLY  83           HA2      GLY  83  12.464 -20.097 -10.851
  602    HA3  GLY  83           HA3      GLY  83  11.277 -21.382 -11.079
  603    H    VAL  84           H        VAL  84  14.503 -20.460 -12.412
  604    HA   VAL  84           HA       VAL  84  15.096 -23.204 -13.110
  605    HB   VAL  84           HB       VAL  84  17.296 -22.186 -13.858
  606   HG11  VAL  84          HG11      VAL  84  16.246 -21.124 -15.817
  607   HG12  VAL  84          HG12      VAL  84  15.392 -22.600 -15.360
  608   HG13  VAL  84          HG13      VAL  84  14.701 -21.016 -14.947
  609   HG21  VAL  84          HG21      VAL  84  17.483 -20.160 -12.505
  610   HG22  VAL  84          HG22      VAL  84  17.430 -19.776 -14.215
  611   HG23  VAL  84          HG23      VAL  84  15.991 -19.507 -13.225
  612    H    ASN  85           H        ASN  85  16.691 -20.949 -10.854
  613    HA   ASN  85           HA       ASN  85  17.001 -23.050  -8.835
  614    HB2  ASN  85           HB2      ASN  85  19.191 -23.102 -10.064
  615    HB3  ASN  85           HB3      ASN  85  19.373 -21.368  -9.770
  616   HD21  ASN  85          HD22      ASN  85  21.439 -22.060  -8.668
  617   HD22  ASN  85          HD21      ASN  85  21.355 -22.622  -7.013
  618    H    LEU  86           H        LEU  86  15.074 -21.380  -8.951
  619    HA   LEU  86           HA       LEU  86  15.555 -18.986  -7.283
  620    HB2  LEU  86           HB2      LEU  86  15.897 -18.432  -9.665
  621    HB3  LEU  86           HB3      LEU  86  14.347 -19.097 -10.092
  622    HG   LEU  86           HG       LEU  86  14.678 -16.645  -8.296
  623   HD11  LEU  86          HD11      LEU  86  14.221 -16.916 -11.309
  624   HD12  LEU  86          HD12      LEU  86  14.164 -15.390 -10.397
  625   HD13  LEU  86          HD13      LEU  86  15.681 -16.290 -10.532
  626   HD21  LEU  86          HD21      LEU  86  12.325 -16.201  -9.057
  627   HD22  LEU  86          HD22      LEU  86  12.301 -17.811  -9.810
  628   HD23  LEU  86          HD23      LEU  86  12.460 -17.643  -8.047
  629    HA   PRO  87           HA       PRO  87  12.252 -21.553  -5.747
  630    HB2  PRO  87           HB2      PRO  87  11.513 -19.182  -4.043
  631    HB3  PRO  87           HB3      PRO  87  11.678 -20.901  -3.579
  632    HG2  PRO  87           HG2      PRO  87  13.684 -19.153  -3.048
  633    HG3  PRO  87           HG3      PRO  87  14.054 -20.787  -3.681
  634    HD2  PRO  87           HD2      PRO  87  13.989 -18.165  -5.188
  635    HD3  PRO  87           HD3      PRO  87  15.146 -19.527  -5.297
  636    HA   PRO  88           HA       PRO  88   8.975 -20.185  -8.339
  637    HB2  PRO  88           HB2      PRO  88   6.973 -22.022  -7.856
  638    HB3  PRO  88           HB3      PRO  88   8.492 -22.422  -8.718
  639    HG2  PRO  88           HG2      PRO  88   7.875 -22.812  -5.767
  640    HG3  PRO  88           HG3      PRO  88   8.545 -24.012  -6.921
  641    HD2  PRO  88           HD2      PRO  88  10.167 -22.589  -5.281
  642    HD3  PRO  88           HD3      PRO  88  10.654 -22.923  -6.973
  643    H    GLU  89           H        GLU  89   8.607 -20.080  -4.877
  644    HA   GLU  89           HA       GLU  89   6.099 -18.884  -4.591
  645    HB2  GLU  89           HB2      GLU  89   7.278 -19.862  -2.788
  646    HB3  GLU  89           HB3      GLU  89   8.814 -19.098  -3.240
  647    HG2  GLU  89           HG2      GLU  89   8.272 -17.091  -2.467
  648    HG3  GLU  89           HG3      GLU  89   6.530 -17.450  -2.268
  649    H    TRP  90           H        TRP  90   9.175 -17.694  -5.887
  650    HA   TRP  90           HA       TRP  90   8.355 -14.900  -5.835
  651    HB2  TRP  90           HB2      TRP  90  10.645 -16.386  -7.165
  652    HB3  TRP  90           HB3      TRP  90  10.433 -14.647  -7.252
  653    HD1  TRP  90           HD1      TRP  90  11.852 -17.277  -5.043
  654    HE1  TRP  90           HE1      TRP  90  12.543 -16.344  -2.751
  655    HE3  TRP  90           HE3      TRP  90   9.918 -12.623  -5.518
  656    HZ2  TRP  90           HZ2      TRP  90  12.144 -13.866  -1.258
  657    HZ3  TRP  90           HZ3      TRP  90   9.916 -11.031  -3.625
  658    HH2  TRP  90           HH2      TRP  90  11.039 -11.619  -1.506
  659    H    VAL  91           H        VAL  91   8.377 -17.529  -8.248
  660    HA   VAL  91           HA       VAL  91   7.569 -15.732 -10.327
  661    HB   VAL  91           HB       VAL  91   7.834 -17.405 -11.828
  662   HG11  VAL  91          HG11      VAL  91   9.813 -18.225  -9.675
  663   HG12  VAL  91          HG12      VAL  91   9.990 -18.355 -11.436
  664   HG13  VAL  91          HG13      VAL  91   9.940 -16.756 -10.682
  665   HG21  VAL  91          HG21      VAL  91   7.447 -19.510  -9.694
  666   HG22  VAL  91          HG22      VAL  91   6.433 -19.193 -11.096
  667   HG23  VAL  91          HG23      VAL  91   8.054 -19.846 -11.328
  668    H    THR  92           H        THR  92   5.777 -16.998  -7.825
  669    HA   THR  92           HA       THR  92   3.296 -16.780  -9.428
  670    HB   THR  92           HB       THR  92   4.201 -19.121  -8.927
  671    HG1  THR  92           HG1      THR  92   2.143 -18.956  -9.647
  672   HG21  THR  92          HG21      THR  92   2.896 -18.919  -6.214
  673   HG22  THR  92          HG22      THR  92   4.027 -20.131  -6.862
  674   HG23  THR  92          HG23      THR  92   4.611 -18.524  -6.416
  675    H    GLN  93           H        GLN  93   4.410 -14.601  -8.018
  676    HA   GLN  93           HA       GLN  93   2.674 -14.208  -5.717
  677    HB2  GLN  93           HB2      GLN  93   4.555 -12.362  -7.253
  678    HB3  GLN  93           HB3      GLN  93   3.494 -11.778  -5.979
  679    HG2  GLN  93           HG2      GLN  93   5.649 -13.882  -5.640
  680    HG3  GLN  93           HG3      GLN  93   5.654 -12.245  -4.994
  681   HE21  GLN  93          HE22      GLN  93   5.338 -15.308  -3.938
  682   HE22  GLN  93          HE21      GLN  93   4.179 -15.075  -2.631
  683    H    GLU  94           H        GLU  94   1.387 -11.816  -6.044
  684    HA   GLU  94           HA       GLU  94  -0.983 -12.820  -7.162
  685    HB2  GLU  94           HB2      GLU  94  -0.215  -9.928  -6.555
  686    HB3  GLU  94           HB3      GLU  94  -1.856 -10.487  -6.881
  687    HG2  GLU  94           HG2      GLU  94  -0.125 -11.373  -4.537
  688    HG3  GLU  94           HG3      GLU  94  -1.443 -10.213  -4.472
  689    H    ILE  95           H        ILE  95   1.557 -10.985  -8.688
  690    HA   ILE  95           HA       ILE  95   0.410 -11.595 -11.295
  691    HB   ILE  95           HB       ILE  95  -0.246  -9.319 -11.235
  692   HG12  ILE  95          HG12      ILE  95   2.495  -9.214 -12.562
  693   HG13  ILE  95          HG13      ILE  95   1.136 -10.108 -13.248
  694   HG21  ILE  95          HG21      ILE  95   1.435  -7.476 -10.614
  695   HG22  ILE  95          HG22      ILE  95   0.836  -8.461  -9.280
  696   HG23  ILE  95          HG23      ILE  95   2.443  -8.768  -9.966
  697   HD11  ILE  95          HD11      ILE  95   1.112  -7.103 -12.746
  698   HD12  ILE  95          HD12      ILE  95   1.400  -7.890 -14.296
  699   HD13  ILE  95          HD13      ILE  95  -0.176  -8.061 -13.490
  700    H    PHE  96           H        PHE  96   2.017 -12.351 -12.605
  701    HA   PHE  96           HA       PHE  96   4.824 -11.936 -11.840
  702    HB2  PHE  96           HB2      PHE  96   4.383 -14.158 -11.019
  703    HB3  PHE  96           HB3      PHE  96   3.609 -14.618 -12.536
  704    HD1  PHE  96           HD1      PHE  96   6.872 -13.247 -11.214
  705    HD2  PHE  96           HD2      PHE  96   4.917 -15.657 -14.217
  706    HE1  PHE  96           HE1      PHE  96   9.073 -13.870 -12.157
  707    HE2  PHE  96           HE2      PHE  96   7.129 -16.275 -15.159
  708    HZ   PHE  96           HZ       PHE  96   9.207 -15.395 -14.123
  709    H    GLU  97           H        GLU  97   6.100 -11.664 -13.731
  710    HA   GLU  97           HA       GLU  97   4.975 -12.215 -16.360
  711    HB2  GLU  97           HB2      GLU  97   6.131  -9.486 -15.686
  712    HB3  GLU  97           HB3      GLU  97   5.661 -10.032 -17.277
  713    HG2  GLU  97           HG2      GLU  97   3.666  -9.677 -14.994
  714    HG3  GLU  97           HG3      GLU  97   4.116  -8.402 -16.095
  715    H    ASP  98           H        ASP  98   6.742 -12.440 -17.879
  716    HA   ASP  98           HA       ASP  98   9.468 -12.180 -16.785
  717    HB2  ASP  98           HB2      ASP  98   9.227 -14.545 -16.743
  718    HB3  ASP  98           HB3      ASP  98   8.472 -14.556 -18.345
  719    H    TRP  99           H        TRP  99  10.705 -10.965 -18.137
  720    HA   TRP  99           HA       TRP  99   9.482 -10.168 -20.745
  721    HB2  TRP  99           HB2      TRP  99  11.132  -8.455 -18.878
  722    HB3  TRP  99           HB3      TRP  99  10.435  -7.958 -20.415
  723    HD1  TRP  99           HD1      TRP  99  10.049  -6.747 -17.389
  724    HE1  TRP  99           HE1      TRP  99   7.693  -6.028 -16.739
  725    HE3  TRP  99           HE3      TRP  99   7.366  -9.579 -20.740
  726    HZ2  TRP  99           HZ2      TRP  99   5.000  -6.496 -17.630
  727    HZ3  TRP  99           HZ3      TRP  99   4.908  -9.400 -20.806
  728    HH2  TRP  99           HH2      TRP  99   3.708  -7.846 -19.281
  729    H    GLN 100           H        GLN 100  10.978  -9.458 -22.401
  730    HA   GLN 100           HA       GLN 100  13.663 -10.728 -22.193
  731    HB2  GLN 100           HB2      GLN 100  13.442 -11.482 -24.489
  732    HB3  GLN 100           HB3      GLN 100  12.234 -12.185 -23.421
  733    HG2  GLN 100           HG2      GLN 100  10.500 -10.679 -24.309
  734    HG3  GLN 100           HG3      GLN 100  11.691  -9.870 -25.334
  735   HE21  GLN 100          HE22      GLN 100   9.733 -10.640 -26.840
  736   HE22  GLN 100          HE21      GLN 100  10.001 -12.169 -27.643
  737    H    LEU 101           H        LEU 101  13.359  -8.080 -21.465
  738    HA   LEU 101           HA       LEU 101  13.997  -6.282 -23.674
  739    HB2  LEU 101           HB2      LEU 101  14.663  -5.983 -20.706
  740    HB3  LEU 101           HB3      LEU 101  14.889  -4.787 -21.946
  741    HG   LEU 101           HG       LEU 101  13.034  -3.925 -21.199
  742   HD11  LEU 101          HD11      LEU 101  12.266  -4.727 -23.431
  743   HD12  LEU 101          HD12      LEU 101  11.465  -6.088 -22.610
  744   HD13  LEU 101          HD13      LEU 101  10.980  -4.398 -22.282
  745   HD21  LEU 101          HD21      LEU 101  12.903  -5.231 -19.198
  746   HD22  LEU 101          HD22      LEU 101  11.271  -5.142 -19.868
  747   HD23  LEU 101          HD23      LEU 101  12.243  -6.620 -20.064
  748    H    GLU 102           H        GLU 102  15.967  -6.112 -24.692
  749    HA   GLU 102           HA       GLU 102  18.183  -7.760 -24.126
  750    HB2  GLU 102           HB2      GLU 102  18.249  -5.037 -25.518
  751    HB3  GLU 102           HB3      GLU 102  19.414  -6.338 -25.647
  752    HG2  GLU 102           HG2      GLU 102  18.349  -6.632 -27.597
  753    HG3  GLU 102           HG3      GLU 102  17.352  -7.705 -26.613
  754    H    ASP 103           H        ASP 103  20.316  -7.184 -23.176
  755    HA   ASP 103           HA       ASP 103  20.209  -4.976 -21.252
  756    HB2  ASP 103           HB2      ASP 103  21.130  -7.094 -20.397
  757    HB3  ASP 103           HB3      ASP 103  22.400  -7.047 -21.634
  758    HA   PRO 104           HA       PRO 104  22.026  -3.022 -24.868
  759    HB2  PRO 104           HB2      PRO 104  21.967  -0.437 -24.139
  760    HB3  PRO 104           HB3      PRO 104  20.492  -1.374 -24.520
  761    HG2  PRO 104           HG2      PRO 104  21.669  -0.882 -21.766
  762    HG3  PRO 104           HG3      PRO 104  19.988  -0.553 -22.305
  763    HD2  PRO 104           HD2      PRO 104  20.650  -2.837 -21.030
  764    HD3  PRO 104           HD3      PRO 104  19.536  -2.879 -22.425
  765    H    ASP 105           H        ASP 105  23.722  -3.389 -21.858
  766    HA   ASP 105           HA       ASP 105  25.640  -1.327 -22.271
  767    HB2  ASP 105           HB2      ASP 105  25.216  -2.340 -20.081
  768    HB3  ASP 105           HB3      ASP 105  26.043  -3.810 -20.639
  769    H    GLY 106           H        GLY 106  25.658  -4.761 -23.107
  770    HA2  GLY 106           HA2      GLY 106  28.410  -4.768 -23.989
  771    HA3  GLY 106           HA3      GLY 106  27.230  -6.077 -24.162
  772    H    GLN 107           H        GLN 107  26.056  -3.108 -25.510
  773    HA   GLN 107           HA       GLN 107  26.942  -3.744 -28.232
  774    HB2  GLN 107           HB2      GLN 107  24.659  -4.229 -29.035
  775    HB3  GLN 107           HB3      GLN 107  25.268  -5.428 -27.903
  776    HG2  GLN 107           HG2      GLN 107  23.932  -4.255 -26.080
  777    HG3  GLN 107           HG3      GLN 107  23.229  -3.257 -27.355
  778   HE21  GLN 107          HE22      GLN 107  22.376  -5.778 -25.434
  779   HE22  GLN 107          HE21      GLN 107  21.543  -6.824 -26.571
  780    H    SER 108           H        SER 108  24.975  -2.385 -29.627
  781    HA   SER 108           HA       SER 108  26.125   0.102 -29.460
  782    HB2  SER 108           HB2      SER 108  23.626  -0.550 -31.055
  783    HB3  SER 108           HB3      SER 108  24.928   0.577 -31.481
  784    HG   SER 108           HG       SER 108  25.149  -1.412 -32.609
  785    H    LEU 109           H        LEU 109  25.327   2.229 -29.376
  786    HA   LEU 109           HA       LEU 109  23.703   3.043 -27.275
  787    HB2  LEU 109           HB2      LEU 109  25.453   4.308 -28.572
  788    HB3  LEU 109           HB3      LEU 109  24.320   4.442 -29.919
  789    HG   LEU 109           HG       LEU 109  22.779   5.773 -28.453
  790   HD11  LEU 109          HD11      LEU 109  23.734   6.677 -26.314
  791   HD12  LEU 109          HD12      LEU 109  23.357   4.959 -26.234
  792   HD13  LEU 109          HD13      LEU 109  25.046   5.477 -26.427
  793   HD21  LEU 109          HD21      LEU 109  25.655   6.787 -28.608
  794   HD22  LEU 109          HD22      LEU 109  24.446   6.873 -29.907
  795   HD23  LEU 109          HD23      LEU 109  24.201   7.799 -28.420
  796    H    GLU 110           H        GLU 110  22.762   2.263 -30.625
  797    HA   GLU 110           HA       GLU 110  20.127   3.244 -30.593
  798    HB2  GLU 110           HB2      GLU 110  21.326   2.392 -32.563
  799    HB3  GLU 110           HB3      GLU 110  21.292   0.751 -31.909
  800    HG2  GLU 110           HG2      GLU 110  18.851   0.688 -32.074
  801    HG3  GLU 110           HG3      GLU 110  18.802   2.387 -32.559
  802    H    VAL 111           H        VAL 111  21.490   0.321 -29.088
  803    HA   VAL 111           HA       VAL 111  18.897  -0.794 -28.514
  804    HB   VAL 111           HB       VAL 111  21.478  -1.644 -27.225
  805   HG11  VAL 111          HG11      VAL 111  18.930  -3.164 -27.956
  806   HG12  VAL 111          HG12      VAL 111  20.362  -3.872 -27.197
  807   HG13  VAL 111          HG13      VAL 111  19.417  -2.664 -26.324
  808   HG21  VAL 111          HG21      VAL 111  21.980  -1.657 -29.625
  809   HG22  VAL 111          HG22      VAL 111  21.666  -3.314 -29.144
  810   HG23  VAL 111          HG23      VAL 111  20.409  -2.404 -29.992
  811    H    PHE 112           H        PHE 112  21.339   1.114 -26.615
  812    HA   PHE 112           HA       PHE 112  19.861   1.255 -24.155
  813    HB2  PHE 112           HB2      PHE 112  21.726   3.197 -25.581
  814    HB3  PHE 112           HB3      PHE 112  20.889   3.657 -24.114
  815    HD1  PHE 112           HD1      PHE 112  21.054   2.133 -22.057
  816    HD2  PHE 112           HD2      PHE 112  23.844   2.026 -25.355
  817    HE1  PHE 112           HE1      PHE 112  22.732   1.001 -20.630
  818    HE2  PHE 112           HE2      PHE 112  25.516   0.945 -23.902
  819    HZ   PHE 112           HZ       PHE 112  24.953   0.432 -21.527
  820    H    ARG 113           H        ARG 113  19.682   3.383 -27.056
  821    HA   ARG 113           HA       ARG 113  17.569   5.034 -26.117
  822    HB2  ARG 113           HB2      ARG 113  18.492   4.226 -28.914
  823    HB3  ARG 113           HB3      ARG 113  17.252   5.453 -28.645
  824    HG2  ARG 113           HG2      ARG 113  18.720   6.936 -27.555
  825    HG3  ARG 113           HG3      ARG 113  19.954   5.700 -27.268
  826    HD2  ARG 113           HD2      ARG 113  20.561   5.600 -29.580
  827    HD3  ARG 113           HD3      ARG 113  19.156   6.594 -30.057
  828    HE   ARG 113           HE       ARG 113  20.742   8.043 -28.188
  829   HH11  ARG 113          HH11      ARG 113  20.869   6.991 -31.593
  830   HH12  ARG 113          HH12      ARG 113  21.845   8.314 -32.106
  831   HH21  ARG 113          HH21      ARG 113  22.015   9.832 -28.894
  832   HH22  ARG 113          HH22      ARG 113  22.529   9.947 -30.534
  833    H    THR 114           H        THR 114  17.382   1.921 -27.955
  834    HA   THR 114           HA       THR 114  14.561   1.856 -28.185
  835    HB   THR 114           HB       THR 114  16.867  -0.114 -28.266
  836    HG1  THR 114           HG1      THR 114  16.864   1.127 -30.031
  837   HG21  THR 114          HG21      THR 114  15.092  -1.490 -27.581
  838   HG22  THR 114          HG22      THR 114  13.966  -0.769 -28.768
  839   HG23  THR 114          HG23      THR 114  15.368  -1.754 -29.304
  840    H    VAL 115           H        VAL 115  16.802   0.343 -25.744
  841    HA   VAL 115           HA       VAL 115  14.687  -1.036 -24.507
  842    HB   VAL 115           HB       VAL 115  17.545  -0.500 -23.669
  843   HG11  VAL 115          HG11      VAL 115  15.512  -2.307 -22.281
  844   HG12  VAL 115          HG12      VAL 115  17.262  -2.347 -21.998
  845   HG13  VAL 115          HG13      VAL 115  16.344  -0.903 -21.561
  846   HG21  VAL 115          HG21      VAL 115  16.125  -3.062 -24.567
  847   HG22  VAL 115          HG22      VAL 115  17.031  -2.024 -25.666
  848   HG23  VAL 115          HG23      VAL 115  17.865  -2.824 -24.326
  849    H    ARG 116           H        ARG 116  16.001   2.207 -23.756
  850    HA   ARG 116           HA       ARG 116  14.547   2.486 -21.322
  851    HB2  ARG 116           HB2      ARG 116  15.309   4.564 -23.432
  852    HB3  ARG 116           HB3      ARG 116  14.495   4.957 -21.906
  853    HG2  ARG 116           HG2      ARG 116  16.375   3.789 -20.675
  854    HG3  ARG 116           HG3      ARG 116  17.261   3.694 -22.191
  855    HD2  ARG 116           HD2      ARG 116  16.213   6.324 -21.061
  856    HD3  ARG 116           HD3      ARG 116  17.740   5.641 -20.552
  857    HE   ARG 116           HE       ARG 116  18.738   6.065 -22.561
  858   HH11  ARG 116          HH11      ARG 116  15.332   7.171 -22.797
  859   HH12  ARG 116          HH12      ARG 116  15.646   8.177 -24.160
  860   HH21  ARG 116          HH21      ARG 116  19.094   7.418 -24.372
  861   HH22  ARG 116          HH22      ARG 116  17.794   8.312 -25.062
  862    H    GLY 117           H        GLY 117  13.453   2.906 -24.722
  863    HA2  GLY 117           HA2      GLY 117  10.784   3.754 -24.125
  864    HA3  GLY 117           HA3      GLY 117  11.365   3.039 -25.638
  865    H    GLN 118           H        GLN 118  12.105   0.506 -25.030
  866    HA   GLN 118           HA       GLN 118   9.732  -1.017 -24.809
  867    HB2  GLN 118           HB2      GLN 118  12.495  -1.945 -24.044
  868    HB3  GLN 118           HB3      GLN 118  11.083  -2.936 -24.423
  869    HG2  GLN 118           HG2      GLN 118  11.073  -1.853 -26.747
  870    HG3  GLN 118           HG3      GLN 118  12.687  -1.237 -26.343
  871   HE21  GLN 118          HE22      GLN 118  13.877  -3.310 -24.975
  872   HE22  GLN 118          HE21      GLN 118  14.145  -4.614 -26.122
  873    H    VAL 119           H        VAL 119  12.119  -0.242 -22.319
  874    HA   VAL 119           HA       VAL 119  10.823  -1.706 -20.252
  875    HB   VAL 119           HB       VAL 119  12.840   0.579 -20.206
  876   HG11  VAL 119          HG11      VAL 119  11.572   0.666 -18.082
  877   HG12  VAL 119          HG12      VAL 119  11.754  -1.093 -17.915
  878   HG13  VAL 119          HG13      VAL 119  13.169  -0.003 -17.816
  879   HG21  VAL 119          HG21      VAL 119  13.495  -1.734 -21.085
  880   HG22  VAL 119          HG22      VAL 119  14.424  -1.203 -19.694
  881   HG23  VAL 119          HG23      VAL 119  13.113  -2.384 -19.476
  882    H    LYS 120           H        LYS 120  10.673   1.854 -21.060
  883    HA   LYS 120           HA       LYS 120   9.124   2.610 -18.860
  884    HB2  LYS 120           HB2      LYS 120  10.156   4.134 -20.579
  885    HB3  LYS 120           HB3      LYS 120   8.892   3.640 -21.738
  886    HG2  LYS 120           HG2      LYS 120   7.154   4.611 -20.316
  887    HG3  LYS 120           HG3      LYS 120   8.335   4.973 -19.044
  888    HD2  LYS 120           HD2      LYS 120   9.552   6.500 -20.538
  889    HD3  LYS 120           HD3      LYS 120   8.435   6.164 -21.865
  890    HE2  LYS 120           HE2      LYS 120   7.600   7.376 -19.185
  891    HE3  LYS 120           HE3      LYS 120   8.094   8.341 -20.580
  892    HZ1  LYS 120           HZ1      LYS 120   5.728   6.531 -20.507
  893    HZ2  LYS 120           HZ2      LYS 120   5.715   8.162 -20.529
  894    HZ3  LYS 120           HZ3      LYS 120   6.247   7.356 -21.843
  895    H    GLU 121           H        GLU 121   8.040   1.412 -22.062
  896    HA   GLU 121           HA       GLU 121   5.280   1.674 -21.568
  897    HB2  GLU 121           HB2      GLU 121   6.370   1.519 -23.744
  898    HB3  GLU 121           HB3      GLU 121   6.870  -0.145 -23.428
  899    HG2  GLU 121           HG2      GLU 121   4.536  -0.890 -23.336
  900    HG3  GLU 121           HG3      GLU 121   3.962   0.772 -23.519
  901    H    ARG 122           H        ARG 122   7.480  -1.176 -21.105
  902    HA   ARG 122           HA       ARG 122   5.357  -2.910 -20.210
  903    HB2  ARG 122           HB2      ARG 122   8.357  -3.123 -19.810
  904    HB3  ARG 122           HB3      ARG 122   7.168  -4.332 -19.313
  905    HG2  ARG 122           HG2      ARG 122   6.323  -4.124 -21.845
  906    HG3  ARG 122           HG3      ARG 122   7.957  -3.512 -22.117
  907    HD2  ARG 122           HD2      ARG 122   8.830  -5.584 -20.960
  908    HD3  ARG 122           HD3      ARG 122   7.153  -6.146 -20.869
  909    HE   ARG 122           HE       ARG 122   8.837  -5.810 -23.307
  910   HH11  ARG 122          HH21      ARG 122   5.750  -6.962 -21.957
  911   HH12  ARG 122          HH22      ARG 122   5.203  -7.645 -23.447
  912   HH21  ARG 122          HH11      ARG 122   8.114  -6.773 -25.273
  913   HH22  ARG 122          HH12      ARG 122   6.591  -7.575 -25.342
  914    H    VAL 123           H        VAL 123   7.630  -0.825 -18.393
  915    HA   VAL 123           HA       VAL 123   6.709  -1.695 -15.804
  916    HB   VAL 123           HB       VAL 123   8.088   0.842 -16.608
  917   HG11  VAL 123          HG11      VAL 123   8.784   0.957 -14.251
  918   HG12  VAL 123          HG12      VAL 123   7.043   1.160 -14.450
  919   HG13  VAL 123          HG13      VAL 123   7.689  -0.395 -13.866
  920   HG21  VAL 123          HG21      VAL 123   9.289  -1.639 -15.301
  921   HG22  VAL 123          HG22      VAL 123   9.394  -1.332 -17.040
  922   HG23  VAL 123          HG23      VAL 123  10.141  -0.200 -15.908
  923    H    GLU 124           H        GLU 124   5.732   1.109 -17.966
  924    HA   GLU 124           HA       GLU 124   3.825   2.117 -16.139
  925    HB2  GLU 124           HB2      GLU 124   4.143   2.364 -19.154
  926    HB3  GLU 124           HB3      GLU 124   2.684   2.950 -18.348
  927    HG2  GLU 124           HG2      GLU 124   4.187   4.285 -16.786
  928    HG3  GLU 124           HG3      GLU 124   5.527   3.893 -17.872
  929    H    ASN 125           H        ASN 125   3.490  -0.336 -18.698
  930    HA   ASN 125           HA       ASN 125   0.697  -0.746 -18.385
  931    HB2  ASN 125           HB2      ASN 125   1.932  -1.623 -20.317
  932    HB3  ASN 125           HB3      ASN 125   2.857  -2.706 -19.271
  933   HD21  ASN 125          HD22      ASN 125  -0.485  -2.013 -20.467
  934   HD22  ASN 125          HD21      ASN 125  -1.090  -3.621 -20.161
  935    H    LEU 126           H        LEU 126   3.479  -2.393 -16.765
  936    HA   LEU 126           HA       LEU 126   1.998  -4.181 -15.188
  937    HB2  LEU 126           HB2      LEU 126   4.388  -4.367 -15.517
  938    HB3  LEU 126           HB3      LEU 126   4.669  -2.763 -14.834
  939    HG   LEU 126           HG       LEU 126   3.984  -3.530 -12.611
  940   HD11  LEU 126          HD11      LEU 126   3.698  -6.006 -12.231
  941   HD12  LEU 126          HD12      LEU 126   2.395  -5.309 -13.192
  942   HD13  LEU 126          HD13      LEU 126   3.680  -6.246 -13.988
  943   HD21  LEU 126          HD21      LEU 126   6.100  -5.232 -13.968
  944   HD22  LEU 126          HD22      LEU 126   6.313  -3.605 -13.298
  945   HD23  LEU 126          HD23      LEU 126   5.950  -4.953 -12.204
  946    H    ILE 127           H        ILE 127   3.068  -0.799 -14.438
  947    HA   ILE 127           HA       ILE 127   1.979  -0.681 -11.781
  948    HB   ILE 127           HB       ILE 127   2.666   1.395 -13.902
  949   HG12  ILE 127          HG12      ILE 127   4.057   0.435 -11.365
  950   HG13  ILE 127          HG13      ILE 127   4.529  -0.073 -12.951
  951   HG21  ILE 127          HG21      ILE 127   1.012   2.342 -12.323
  952   HG22  ILE 127          HG22      ILE 127   2.011   1.815 -10.948
  953   HG23  ILE 127          HG23      ILE 127   2.586   3.071 -12.080
  954   HD11  ILE 127          HD11      ILE 127   6.060   1.615 -12.257
  955   HD12  ILE 127          HD12      ILE 127   5.041   2.310 -13.547
  956   HD13  ILE 127          HD13      ILE 127   4.766   2.735 -11.834
  957    H    ALA 128           H        ALA 128   0.638   0.252 -15.027
  958    HA   ALA 128           HA       ALA 128  -1.874   1.083 -14.080
  959    HB1  ALA 128           HB1      ALA 128  -1.166  -0.157 -16.778
  960    HB2  ALA 128           HB2      ALA 128  -2.584   0.845 -16.416
  961    HB3  ALA 128           HB3      ALA 128  -0.950   1.553 -16.340
  962    H    LYS 129           H        LYS 129  -0.701  -2.251 -14.723
  963    HA   LYS 129           HA       LYS 129  -3.287  -3.462 -14.426
  964    HB2  LYS 129           HB2      LYS 129  -0.483  -4.593 -14.084
  965    HB3  LYS 129           HB3      LYS 129  -1.944  -5.526 -13.788
  966    HG2  LYS 129           HG2      LYS 129  -2.687  -5.158 -16.121
  967    HG3  LYS 129           HG3      LYS 129  -1.202  -4.254 -16.459
  968    HD2  LYS 129           HD2      LYS 129   0.152  -6.246 -15.846
  969    HD3  LYS 129           HD3      LYS 129  -1.349  -7.147 -15.507
  970    HE2  LYS 129           HE2      LYS 129  -2.042  -6.669 -17.926
  971    HE3  LYS 129           HE3      LYS 129  -0.400  -6.076 -18.198
  972    HZ1  LYS 129           HZ1      LYS 129  -0.573  -8.374 -18.845
  973    HZ2  LYS 129           HZ2      LYS 129   0.417  -8.328 -17.542
  974    HZ3  LYS 129           HZ3      LYS 129  -1.135  -8.837 -17.386
  975    H    ILE 130           H        ILE 130  -0.529  -3.106 -12.123
  976    HA   ILE 130           HA       ILE 130  -2.069  -4.287 -10.083
  977    HB   ILE 130           HB       ILE 130  -0.212  -3.887  -8.624
  978   HG12  ILE 130          HG12      ILE 130   0.898  -2.214 -10.874
  979   HG13  ILE 130          HG13      ILE 130   0.530  -1.686  -9.240
  980   HG21  ILE 130          HG21      ILE 130   0.762  -4.813 -11.356
  981   HG22  ILE 130          HG22      ILE 130   1.319  -5.343  -9.752
  982   HG23  ILE 130          HG23      ILE 130  -0.305  -5.769 -10.294
  983   HD11  ILE 130          HD11      ILE 130   2.346  -3.102  -8.356
  984   HD12  ILE 130          HD12      ILE 130   2.755  -3.590 -10.038
  985   HD13  ILE 130          HD13      ILE 130   2.915  -1.911  -9.543
  986    H    SER 131           H        SER 131  -1.411  -0.855 -10.690
  987    HA   SER 131           HA       SER 131  -2.659  -0.085  -8.182
  988    HB2  SER 131           HB2      SER 131  -0.834   1.330 -10.107
  989    HB3  SER 131           HB3      SER 131  -1.577   2.063  -8.660
  990    HG   SER 131           HG       SER 131   0.585   1.084  -8.317
  Start of MODEL   19
    1    H    MET   1           H        MET   1   2.173  -0.837   1.472
    2    HA   MET   1           HA       MET   1   0.783  -0.066  -1.010
    3    HB2  MET   1           HB2      MET   1   2.441   1.423  -1.586
    4    HB3  MET   1           HB3      MET   1   2.311   1.695   0.133
    5    HG2  MET   1           HG2      MET   1   4.321   0.023   0.315
    6    HG3  MET   1           HG3      MET   1   4.508   0.332  -1.421
    7    HE1  MET   1           HE1      MET   1   3.925   3.373  -1.866
    8    HE2  MET   1           HE2      MET   1   5.513   4.105  -1.550
    9    HE3  MET   1           HE3      MET   1   5.413   2.586  -2.456
   10    H    LYS   2           H        LYS   2   1.798  -0.929  -3.046
   11    HA   LYS   2           HA       LYS   2   2.215  -3.797  -2.613
   12    HB2  LYS   2           HB2      LYS   2   2.486  -2.590  -5.347
   13    HB3  LYS   2           HB3      LYS   2   1.838  -4.129  -4.865
   14    HG2  LYS   2           HG2      LYS   2  -0.203  -3.075  -3.973
   15    HG3  LYS   2           HG3      LYS   2   0.456  -1.471  -4.307
   16    HD2  LYS   2           HD2      LYS   2   0.635  -2.254  -6.776
   17    HD3  LYS   2           HD3      LYS   2  -0.509  -3.518  -6.312
   18    HE2  LYS   2           HE2      LYS   2  -0.940  -0.519  -5.786
   19    HE3  LYS   2           HE3      LYS   2  -1.408  -1.283  -7.290
   20    HZ1  LYS   2           HZ1      LYS   2  -2.919  -2.734  -6.063
   21    HZ2  LYS   2           HZ2      LYS   2  -2.483  -2.071  -4.619
   22    HZ3  LYS   2           HZ3      LYS   2  -3.269  -1.176  -5.737
   23    H    LYS   3           H        LYS   3   4.217  -4.800  -2.366
   24    HA   LYS   3           HA       LYS   3   6.607  -3.155  -3.030
   25    HB2  LYS   3           HB2      LYS   3   6.589  -5.806  -1.596
   26    HB3  LYS   3           HB3      LYS   3   7.918  -4.648  -1.784
   27    HG2  LYS   3           HG2      LYS   3   6.610  -2.973  -0.477
   28    HG3  LYS   3           HG3      LYS   3   5.373  -4.216  -0.186
   29    HD2  LYS   3           HD2      LYS   3   7.067  -5.655   0.906
   30    HD3  LYS   3           HD3      LYS   3   8.308  -4.404   0.631
   31    HE2  LYS   3           HE2      LYS   3   6.967  -2.777   1.936
   32    HE3  LYS   3           HE3      LYS   3   5.717  -4.008   2.189
   33    HZ1  LYS   3           HZ1      LYS   3   7.131  -3.950   4.122
   34    HZ2  LYS   3           HZ2      LYS   3   7.437  -5.370   3.346
   35    HZ3  LYS   3           HZ3      LYS   3   8.495  -4.121   3.241
   36    H    VAL   4           H        VAL   4   8.008  -3.674  -4.590
   37    HA   VAL   4           HA       VAL   4   7.100  -5.661  -6.604
   38    HB   VAL   4           HB       VAL   4   8.619  -3.175  -7.295
   39   HG11  VAL   4          HG11      VAL   4   8.117  -4.887  -9.060
   40   HG12  VAL   4          HG12      VAL   4   6.380  -4.594  -8.776
   41   HG13  VAL   4          HG13      VAL   4   7.407  -3.303  -9.401
   42   HG21  VAL   4          HG21      VAL   4   6.795  -2.214  -5.947
   43   HG22  VAL   4          HG22      VAL   4   6.658  -1.840  -7.652
   44   HG23  VAL   4          HG23      VAL   4   5.611  -3.092  -6.939
   45    H    MET   5           H        MET   5   8.754  -6.740  -7.722
   46    HA   MET   5           HA       MET   5  11.602  -6.098  -7.219
   47    HB2  MET   5           HB2      MET   5  10.483  -8.936  -7.182
   48    HB3  MET   5           HB3      MET   5  12.179  -8.472  -7.103
   49    HG2  MET   5           HG2      MET   5  11.226  -7.136  -4.924
   50    HG3  MET   5           HG3      MET   5  10.118  -8.493  -4.961
   51    HE1  MET   5           HE1      MET   5  12.499  -7.644  -2.730
   52    HE2  MET   5           HE2      MET   5  11.194  -8.833  -2.506
   53    HE3  MET   5           HE3      MET   5  12.888  -9.300  -2.202
   54    H    PHE   6           H        PHE   6  12.949  -6.538  -9.050
   55    HA   PHE   6           HA       PHE   6  11.722  -7.817 -11.426
   56    HB2  PHE   6           HB2      PHE   6  13.404  -5.265 -11.397
   57    HB3  PHE   6           HB3      PHE   6  12.947  -6.166 -12.829
   58    HD1  PHE   6           HD2      PHE   6  11.695  -4.045 -10.071
   59    HD2  PHE   6           HD1      PHE   6  10.770  -5.856 -13.878
   60    HE1  PHE   6           HE2      PHE   6   9.633  -2.681 -10.225
   61    HE2  PHE   6           HE1      PHE   6   8.757  -4.432 -14.058
   62    HZ   PHE   6           HZ       PHE   6   8.176  -2.843 -12.222
   63    H    VAL   7           H        VAL   7  12.969  -9.719 -11.374
   64    HA   VAL   7           HA       VAL   7  15.876  -9.394 -10.718
   65    HB   VAL   7           HB       VAL   7  13.734 -11.070  -9.422
   66   HG11  VAL   7          HG11      VAL   7  15.500 -12.315  -8.172
   67   HG12  VAL   7          HG12      VAL   7  15.491 -12.730  -9.883
   68   HG13  VAL   7          HG13      VAL   7  16.743 -11.631  -9.251
   69   HG21  VAL   7          HG21      VAL   7  14.218  -8.913  -8.399
   70   HG22  VAL   7          HG22      VAL   7  14.761 -10.210  -7.350
   71   HG23  VAL   7          HG23      VAL   7  15.948  -9.297  -8.320
   72    H    CYS   8           H        CYS   8  17.296 -10.537 -11.768
   73    HA   CYS   8           HA       CYS   8  16.742 -13.030 -13.105
   74    HB2  CYS   8           HB2      CYS   8  16.128 -11.523 -14.926
   75    HB3  CYS   8           HB3      CYS   8  17.596 -10.554 -14.685
   76    H    LYS   9           H        LYS   9  18.895 -14.072 -13.483
   77    HA   LYS   9           HA       LYS   9  20.551 -13.529 -11.283
   78    HB2  LYS   9           HB2      LYS   9  21.944 -15.354 -12.060
   79    HB3  LYS   9           HB3      LYS   9  20.234 -15.755 -12.214
   80    HG2  LYS   9           HG2      LYS   9  20.356 -15.277 -14.672
   81    HG3  LYS   9           HG3      LYS   9  22.077 -14.888 -14.499
   82    HD2  LYS   9           HD2      LYS   9  22.515 -17.183 -13.682
   83    HD3  LYS   9           HD3      LYS   9  20.791 -17.580 -13.855
   84    HE2  LYS   9           HE2      LYS   9  20.925 -17.116 -16.293
   85    HE3  LYS   9           HE3      LYS   9  22.633 -16.683 -16.131
   86    HZ1  LYS   9           HZ1      LYS   9  23.068 -18.982 -15.423
   87    HZ2  LYS   9           HZ2      LYS   9  21.488 -19.376 -15.604
   88    HZ3  LYS   9           HZ3      LYS   9  22.384 -18.954 -16.901
   89    H    ARG  10           H        ARG  10  20.873 -12.058 -14.452
   90    HA   ARG  10           HA       ARG  10  23.582 -11.084 -13.634
   91    HB2  ARG  10           HB2      ARG  10  23.481 -12.895 -15.462
   92    HB3  ARG  10           HB3      ARG  10  22.730 -11.697 -16.498
   93    HG2  ARG  10           HG2      ARG  10  25.127 -11.829 -16.935
   94    HG3  ARG  10           HG3      ARG  10  24.735 -10.241 -16.295
   95    HD2  ARG  10           HD2      ARG  10  26.852 -11.210 -15.369
   96    HD3  ARG  10           HD3      ARG  10  25.678 -10.799 -14.127
   97    HE   ARG  10           HE       ARG  10  25.862 -13.580 -15.210
   98   HH11  ARG  10          HH21      ARG  10  26.523 -11.464 -12.406
   99   HH12  ARG  10          HH22      ARG  10  26.517 -12.760 -11.274
  100   HH21  ARG  10          HH11      ARG  10  25.853 -15.291 -13.689
  101   HH22  ARG  10          HH12      ARG  10  26.129 -14.990 -12.022
  102    H    ASN  11           H        ASN  11  22.289  -9.376 -12.661
  103    HA   ASN  11           HA       ASN  11  20.713  -7.442 -13.716
  104    HB2  ASN  11           HB2      ASN  11  21.647  -7.395 -11.425
  105    HB3  ASN  11           HB3      ASN  11  23.254  -7.031 -12.073
  106   HD21  ASN  11          HD22      ASN  11  23.148  -5.222 -10.552
  107   HD22  ASN  11          HD21      ASN  11  22.305  -3.749 -11.035
  108    H    SER  12           H        SER  12  24.276  -7.581 -14.185
  109    HA   SER  12           HA       SER  12  24.781  -5.175 -15.411
  110    HB2  SER  12           HB2      SER  12  26.630  -6.820 -16.529
  111    HB3  SER  12           HB3      SER  12  26.709  -6.260 -14.860
  112    HG   SER  12           HG       SER  12  26.960  -8.560 -15.089
  113    H    SER  13           H        SER  13  23.430  -8.110 -16.887
  114    HA   SER  13           HA       SER  13  23.455  -6.746 -19.532
  115    HB2  SER  13           HB2      SER  13  23.715  -9.726 -19.027
  116    HB3  SER  13           HB3      SER  13  23.924  -8.854 -20.558
  117    HG   SER  13           HG       SER  13  25.955  -9.329 -19.611
  118    H    ARG  14           H        ARG  14  21.232  -6.986 -17.289
  119    HA   ARG  14           HA       ARG  14  19.182  -7.587 -19.278
  120    HB2  ARG  14           HB2      ARG  14  19.820  -9.854 -18.177
  121    HB3  ARG  14           HB3      ARG  14  19.068  -9.232 -16.718
  122    HG2  ARG  14           HG2      ARG  14  17.457 -10.500 -17.763
  123    HG3  ARG  14           HG3      ARG  14  16.966  -8.852 -18.156
  124    HD2  ARG  14           HD2      ARG  14  17.753  -9.080 -20.437
  125    HD3  ARG  14           HD3      ARG  14  18.677 -10.552 -20.033
  126    HE   ARG  14           HE       ARG  14  16.012 -10.881 -19.241
  127   HH11  ARG  14          HH11      ARG  14  17.891 -10.975 -22.262
  128   HH12  ARG  14          HH12      ARG  14  16.879 -12.176 -22.996
  129   HH21  ARG  14          HH21      ARG  14  14.587 -12.263 -20.267
  130   HH22  ARG  14          HH22      ARG  14  14.974 -12.925 -21.852
  131    H    SER  15           H        SER  15  19.401  -7.097 -15.654
  132    HA   SER  15           HA       SER  15  16.754  -6.233 -15.587
  133    HB2  SER  15           HB2      SER  15  18.809  -5.523 -13.491
  134    HB3  SER  15           HB3      SER  15  17.068  -5.808 -13.291
  135    HG   SER  15           HG       SER  15  18.232  -7.700 -12.735
  136    H    GLN  16           H        GLN  16  19.640  -4.095 -15.298
  137    HA   GLN  16           HA       GLN  16  19.895  -1.923 -15.645
  138    HB2  GLN  16           HB2      GLN  16  19.590  -3.481 -17.955
  139    HB3  GLN  16           HB3      GLN  16  18.668  -2.065 -18.351
  140    HG2  GLN  16           HG2      GLN  16  20.779  -1.508 -19.112
  141    HG3  GLN  16           HG3      GLN  16  20.747  -0.715 -17.535
  142   HE21  GLN  16          HE21      GLN  16  21.692  -3.938 -19.021
  143   HE22  GLN  16          HE22      GLN  16  23.197  -4.049 -18.137
  144    H    MET  17           H        MET  17  17.164  -1.295 -17.739
  145    HA   MET  17           HA       MET  17  16.612   0.791 -15.868
  146    HB2  MET  17           HB2      MET  17  15.655   0.114 -18.667
  147    HB3  MET  17           HB3      MET  17  14.735   1.302 -17.769
  148    HG2  MET  17           HG2      MET  17  17.632   1.768 -17.712
  149    HG3  MET  17           HG3      MET  17  16.894   1.858 -19.316
  150    HE1  MET  17           HE1      MET  17  17.108   3.410 -15.711
  151    HE2  MET  17           HE2      MET  17  15.978   4.765 -15.833
  152    HE3  MET  17           HE3      MET  17  15.336   3.103 -15.747
  153    H    ALA  18           H        ALA  18  15.350  -2.320 -15.952
  154    HA   ALA  18           HA       ALA  18  12.557  -1.810 -15.827
  155    HB1  ALA  18           HB1      ALA  18  12.363  -4.082 -14.917
  156    HB2  ALA  18           HB2      ALA  18  13.516  -4.034 -16.266
  157    HB3  ALA  18           HB3      ALA  18  14.117  -4.117 -14.594
  158    H    GLU  19           H        GLU  19  14.683  -2.532 -12.973
  159    HA   GLU  19           HA       GLU  19  12.677  -1.586 -11.144
  160    HB2  GLU  19           HB2      GLU  19  14.182  -2.062  -9.465
  161    HB3  GLU  19           HB3      GLU  19  14.629  -3.175 -10.737
  162    HG2  GLU  19           HG2      GLU  19  16.689  -2.497 -10.049
  163    HG3  GLU  19           HG3      GLU  19  16.458  -1.346 -11.356
  164    H    GLY  20           H        GLY  20  15.370  -0.100 -12.886
  165    HA2  GLY  20           HA2      GLY  20  15.716   2.395 -11.813
  166    HA3  GLY  20           HA3      GLY  20  15.729   2.048 -13.548
  167    H    PHE  21           H        PHE  21  13.231   1.667 -14.384
  168    HA   PHE  21           HA       PHE  21  12.000   4.256 -13.977
  169    HB2  PHE  21           HB2      PHE  21  11.297   1.760 -15.548
  170    HB3  PHE  21           HB3      PHE  21  10.100   3.030 -15.335
  171    HD1  PHE  21           HD2      PHE  21  11.074   5.545 -15.615
  172    HD2  PHE  21           HD1      PHE  21  12.524   1.938 -17.506
  173    HE1  PHE  21           HE2      PHE  21  11.991   6.884 -17.513
  174    HE2  PHE  21           HE1      PHE  21  13.457   3.268 -19.359
  175    HZ   PHE  21           HZ       PHE  21  13.164   5.744 -19.394
  176    H    ALA  22           H        ALA  22  11.409   1.049 -12.540
  177    HA   ALA  22           HA       ALA  22   8.703   1.651 -11.945
  178    HB1  ALA  22           HB1      ALA  22  10.580  -0.232 -10.443
  179    HB2  ALA  22           HB2      ALA  22   8.793  -0.293 -10.471
  180    HB3  ALA  22           HB3      ALA  22   9.728  -0.619 -11.952
  181    H    LYS  23           H        LYS  23  11.663   2.512 -10.093
  182    HA   LYS  23           HA       LYS  23  10.151   3.553  -7.851
  183    HB2  LYS  23           HB2      LYS  23  12.143   4.686  -7.182
  184    HB3  LYS  23           HB3      LYS  23  12.647   3.171  -7.921
  185    HG2  LYS  23           HG2      LYS  23  12.805   4.697 -10.113
  186    HG3  LYS  23           HG3      LYS  23  12.832   6.020  -8.984
  187    HD2  LYS  23           HD2      LYS  23  15.035   5.380  -9.806
  188    HD3  LYS  23           HD3      LYS  23  14.933   5.239  -8.026
  189    HE2  LYS  23           HE2      LYS  23  14.585   2.764  -8.277
  190    HE3  LYS  23           HE3      LYS  23  14.697   2.933 -10.026
  191    HZ1  LYS  23           HZ1      LYS  23  16.881   3.442  -8.066
  192    HZ2  LYS  23           HZ2      LYS  23  16.760   2.180  -9.124
  193    HZ3  LYS  23           HZ3      LYS  23  17.050   3.689  -9.685
  194    H    THR  24           H        THR  24  10.816   4.943 -11.057
  195    HA   THR  24           HA       THR  24   9.998   7.585 -10.381
  196    HB   THR  24           HB       THR  24  10.845   6.044 -12.801
  197    HG1  THR  24           HG1      THR  24  11.908   8.324 -11.467
  198   HG21  THR  24          HG21      THR  24   9.787   8.867 -12.854
  199   HG22  THR  24          HG22      THR  24  10.861   8.156 -14.094
  200   HG23  THR  24          HG23      THR  24   9.265   7.444 -13.797
  201    H    LEU  25           H        LEU  25   8.577   4.999 -12.360
  202    HA   LEU  25           HA       LEU  25   6.122   6.443 -12.894
  203    HB2  LEU  25           HB2      LEU  25   6.879   3.504 -13.158
  204    HB3  LEU  25           HB3      LEU  25   5.412   4.214 -13.852
  205    HG   LEU  25           HG       LEU  25   8.259   5.026 -14.591
  206   HD11  LEU  25          HD11      LEU  25   6.323   3.106 -15.927
  207   HD12  LEU  25          HD12      LEU  25   7.826   3.713 -16.669
  208   HD13  LEU  25          HD13      LEU  25   7.886   2.723 -15.204
  209   HD21  LEU  25          HD21      LEU  25   6.668   6.824 -15.076
  210   HD22  LEU  25          HD22      LEU  25   7.150   6.041 -16.587
  211   HD23  LEU  25          HD23      LEU  25   5.564   5.679 -15.871
  212    H    GLY  26           H        GLY  26   7.133   4.020 -10.487
  213    HA2  GLY  26           HA2      GLY  26   4.419   3.589  -9.494
  214    HA3  GLY  26           HA3      GLY  26   5.932   2.805  -9.001
  215    H    ALA  27           H        ALA  27   6.536   6.098  -8.972
  216    HA   ALA  27           HA       ALA  27   7.214   6.231  -6.340
  217    HB1  ALA  27           HB1      ALA  27   7.886   7.907  -8.037
  218    HB2  ALA  27           HB2      ALA  27   6.227   8.534  -8.094
  219    HB3  ALA  27           HB3      ALA  27   7.188   8.704  -6.614
  220    H    GLY  28           H        GLY  28   6.159   6.219  -4.459
  221    HA2  GLY  28           HA2      GLY  28   4.640   6.707  -2.824
  222    HA3  GLY  28           HA3      GLY  28   3.734   7.704  -3.962
  223    H    LYS  29           H        LYS  29   3.749   5.022  -5.743
  224    HA   LYS  29           HA       LYS  29   1.213   3.990  -4.565
  225    HB2  LYS  29           HB2      LYS  29   2.434   3.289  -7.268
  226    HB3  LYS  29           HB3      LYS  29   0.776   3.011  -6.718
  227    HG2  LYS  29           HG2      LYS  29   0.458   5.509  -6.639
  228    HG3  LYS  29           HG3      LYS  29   2.083   5.698  -7.340
  229    HD2  LYS  29           HD2      LYS  29   1.374   4.297  -9.292
  230    HD3  LYS  29           HD3      LYS  29  -0.275   4.269  -8.658
  231    HE2  LYS  29           HE2      LYS  29   1.294   6.795  -9.383
  232    HE3  LYS  29           HE3      LYS  29   0.152   5.983 -10.456
  233    HZ1  LYS  29           HZ1      LYS  29  -0.552   7.240  -7.858
  234    HZ2  LYS  29           HZ2      LYS  29  -0.913   7.812  -9.340
  235    HZ3  LYS  29           HZ3      LYS  29  -1.610   6.431  -8.823
  236    H    ILE  30           H        ILE  30   4.441   2.874  -5.656
  237    HA   ILE  30           HA       ILE  30   4.077   0.354  -4.148
  238    HB   ILE  30           HB       ILE  30   4.690  -0.972  -6.110
  239   HG12  ILE  30          HG12      ILE  30   4.523   1.633  -7.675
  240   HG13  ILE  30          HG13      ILE  30   5.982   0.680  -7.398
  241   HG21  ILE  30          HG21      ILE  30   2.260  -0.408  -5.547
  242   HG22  ILE  30          HG22      ILE  30   2.300   0.734  -6.902
  243   HG23  ILE  30          HG23      ILE  30   2.574  -0.988  -7.194
  244   HD11  ILE  30          HD11      ILE  30   5.346   0.192  -9.594
  245   HD12  ILE  30          HD12      ILE  30   4.786  -1.220  -8.688
  246   HD13  ILE  30          HD13      ILE  30   3.616   0.013  -9.204
  247    H    ALA  31           H        ALA  31   6.063  -0.786  -3.767
  248    HA   ALA  31           HA       ALA  31   8.413   1.076  -3.578
  249    HB1  ALA  31           HB1      ALA  31   7.519  -1.219  -1.759
  250    HB2  ALA  31           HB2      ALA  31   8.961  -0.221  -1.535
  251    HB3  ALA  31           HB3      ALA  31   7.347   0.521  -1.400
  252    H    VAL  32           H        VAL  32   9.921   0.413  -5.165
  253    HA   VAL  32           HA       VAL  32  10.045  -2.479  -5.843
  254    HB   VAL  32           HB       VAL  32   9.938  -0.883  -7.658
  255   HG11  VAL  32          HG11      VAL  32  11.059   1.104  -6.756
  256   HG12  VAL  32          HG12      VAL  32  12.609   0.228  -6.705
  257   HG13  VAL  32          HG13      VAL  32  11.836   0.575  -8.256
  258   HG21  VAL  32          HG21      VAL  32  11.742  -1.776  -8.991
  259   HG22  VAL  32          HG22      VAL  32  12.674  -2.197  -7.541
  260   HG23  VAL  32          HG23      VAL  32  11.149  -3.050  -7.902
  261    H    THR  33           H        THR  33  11.579  -3.839  -5.256
  262    HA   THR  33           HA       THR  33  14.146  -2.902  -4.203
  263    HB   THR  33           HB       THR  33  12.531  -5.154  -2.971
  264    HG1  THR  33           HG1      THR  33  12.548  -2.454  -2.088
  265   HG21  THR  33          HG21      THR  33  14.863  -3.528  -1.852
  266   HG22  THR  33          HG22      THR  33  14.042  -4.887  -1.044
  267   HG23  THR  33          HG23      THR  33  14.964  -5.170  -2.521
  268    H    SER  34           H        SER  34  15.408  -3.794  -5.911
  269    HA   SER  34           HA       SER  34  14.597  -6.518  -6.846
  270    HB2  SER  34           HB2      SER  34  16.101  -4.333  -8.303
  271    HB3  SER  34           HB3      SER  34  15.842  -5.986  -8.895
  272    HG   SER  34           HG       SER  34  13.855  -4.040  -8.195
  273    H    SER  35           H        SER  35  15.441  -7.259  -4.832
  274    HA   SER  35           HA       SER  35  17.959  -6.860  -3.856
  275    HB2  SER  35           HB2      SER  35  16.405  -9.433  -3.571
  276    HB3  SER  35           HB3      SER  35  17.386  -8.616  -2.346
  277    HG   SER  35           HG       SER  35  15.326  -8.013  -1.853
  278    H    GLY  36           H        GLY  36  16.919  -9.587  -5.918
  279    HA2  GLY  36           HA2      GLY  36  18.124 -10.386  -7.759
  280    HA3  GLY  36           HA3      GLY  36  19.588  -9.610  -7.168
  281    H    LEU  37           H        LEU  37  19.625 -12.135  -8.154
  282    HA   LEU  37           HA       LEU  37  20.475 -13.785  -5.921
  283    HB2  LEU  37           HB2      LEU  37  18.781 -14.494  -8.351
  284    HB3  LEU  37           HB3      LEU  37  19.752 -15.729  -7.555
  285    HG   LEU  37           HG       LEU  37  17.933 -14.070  -5.829
  286   HD11  LEU  37          HD11      LEU  37  16.014 -15.636  -6.412
  287   HD12  LEU  37          HD12      LEU  37  16.512 -14.537  -7.721
  288   HD13  LEU  37          HD13      LEU  37  17.035 -16.229  -7.750
  289   HD21  LEU  37          HD21      LEU  37  17.694 -16.272  -4.644
  290   HD22  LEU  37          HD22      LEU  37  18.709 -17.030  -5.888
  291   HD23  LEU  37          HD23      LEU  37  19.391 -15.791  -4.816
  292    H    GLU  38           H        GLU  38  22.442 -14.735  -6.498
  293    HA   GLU  38           HA       GLU  38  24.522 -14.724  -7.423
  294    HB2  GLU  38           HB2      GLU  38  23.136 -14.506 -10.121
  295    HB3  GLU  38           HB3      GLU  38  24.820 -14.964  -9.812
  296    HG2  GLU  38           HG2      GLU  38  23.893 -16.890  -8.430
  297    HG3  GLU  38           HG3      GLU  38  22.281 -16.404  -8.993
  298    H    SER  39           H        SER  39  23.316 -12.690 -10.000
  299    HA   SER  39           HA       SER  39  23.460 -10.628 -10.583
  300    HB2  SER  39           HB2      SER  39  23.030 -10.239  -7.604
  301    HB3  SER  39           HB3      SER  39  22.867  -8.926  -8.784
  302    HG   SER  39           HG       SER  39  21.523 -11.417  -9.081
  303    H    SER  40           H        SER  40  24.304  -8.369 -10.145
  304    HA   SER  40           HA       SER  40  27.180  -8.169  -9.852
  305    HB2  SER  40           HB2      SER  40  25.656  -8.363 -12.494
  306    HB3  SER  40           HB3      SER  40  27.296  -7.675 -12.402
  307    HG   SER  40           HG       SER  40  28.053  -9.702 -11.765
  308    H    ARG  41           H        ARG  41  27.610  -5.848 -10.940
  309    HA   ARG  41           HA       ARG  41  25.419  -3.978 -10.152
  310    HB2  ARG  41           HB2      ARG  41  28.135  -3.826  -9.779
  311    HB3  ARG  41           HB3      ARG  41  27.997  -3.004 -11.343
  312    HG2  ARG  41           HG2      ARG  41  26.266  -1.471 -10.288
  313    HG3  ARG  41           HG3      ARG  41  26.543  -2.291  -8.746
  314    HD2  ARG  41           HD2      ARG  41  28.935  -1.580  -8.812
  315    HD3  ARG  41           HD3      ARG  41  28.653  -0.796 -10.367
  316    HE   ARG  41           HE       ARG  41  27.403   0.903  -9.377
  317   HH11  ARG  41          HH21      ARG  41  28.457  -1.396  -6.853
  318   HH12  ARG  41          HH22      ARG  41  28.111  -0.312  -5.553
  319   HH21  ARG  41          HH11      ARG  41  26.973   2.295  -7.698
  320   HH22  ARG  41          HH12      ARG  41  27.279   1.869  -6.042
  321    H    VAL  42           H        VAL  42  25.514  -2.033 -11.914
  322    HA   VAL  42           HA       VAL  42  24.191  -3.265 -14.214
  323    HB   VAL  42           HB       VAL  42  23.397  -1.038 -14.583
  324   HG11  VAL  42          HG11      VAL  42  22.290  -2.403 -12.846
  325   HG12  VAL  42          HG12      VAL  42  23.243  -1.543 -11.585
  326   HG13  VAL  42          HG13      VAL  42  22.108  -0.668 -12.614
  327   HG21  VAL  42          HG21      VAL  42  25.306  -0.120 -12.393
  328   HG22  VAL  42          HG22      VAL  42  25.323   0.325 -14.110
  329   HG23  VAL  42          HG23      VAL  42  23.987   0.856 -13.083
  330    H    HIS  43           H        HIS  43  24.667  -2.099 -16.434
  331    HA   HIS  43           HA       HIS  43  27.530  -2.308 -17.012
  332    HB2  HIS  43           HB2      HIS  43  25.878  -3.137 -18.607
  333    HB3  HIS  43           HB3      HIS  43  25.113  -1.553 -18.707
  334    HD1  HIS  43           HD1      HIS  43  28.167  -3.461 -20.015
  335    HD2  HIS  43           HD2      HIS  43  26.284   0.278 -20.265
  336    HE1  HIS  43           HE1      HIS  43  29.520  -2.088 -21.685
  337    HA   PRO  44           HA       PRO  44  28.416   1.864 -15.796
  338    HB2  PRO  44           HB2      PRO  44  30.386   2.639 -17.640
  339    HB3  PRO  44           HB3      PRO  44  30.657   1.657 -16.158
  340    HG2  PRO  44           HG2      PRO  44  30.223   0.688 -19.008
  341    HG3  PRO  44           HG3      PRO  44  31.460   0.147 -17.824
  342    HD2  PRO  44           HD2      PRO  44  29.246  -1.301 -18.179
  343    HD3  PRO  44           HD3      PRO  44  29.808  -0.992 -16.512
  344    H    THR  45           H        THR  45  28.331   1.712 -19.447
  345    HA   THR  45           HA       THR  45  27.504   4.380 -19.727
  346    HB   THR  45           HB       THR  45  27.042   2.077 -21.570
  347    HG1  THR  45           HG1      THR  45  29.100   2.372 -22.243
  348   HG21  THR  45          HG21      THR  45  25.836   4.003 -22.418
  349   HG22  THR  45          HG22      THR  45  27.244   5.057 -22.154
  350   HG23  THR  45          HG23      THR  45  27.285   3.782 -23.394
  351    H    ALA  46           H        ALA  46  25.653   1.680 -18.561
  352    HA   ALA  46           HA       ALA  46  23.045   2.543 -19.415
  353    HB1  ALA  46           HB1      ALA  46  23.653   1.114 -16.756
  354    HB2  ALA  46           HB2      ALA  46  22.199   1.038 -17.747
  355    HB3  ALA  46           HB3      ALA  46  23.672   0.242 -18.322
  356    H    ILE  47           H        ILE  47  25.033   3.127 -16.509
  357    HA   ILE  47           HA       ILE  47  23.066   4.587 -15.100
  358    HB   ILE  47           HB       ILE  47  26.135   4.861 -15.069
  359   HG12  ILE  47          HG12      ILE  47  24.397   3.306 -13.128
  360   HG13  ILE  47          HG13      ILE  47  25.111   2.571 -14.564
  361   HG21  ILE  47          HG21      ILE  47  25.107   6.834 -13.971
  362   HG22  ILE  47          HG22      ILE  47  24.108   5.774 -12.963
  363   HG23  ILE  47          HG23      ILE  47  25.870   5.813 -12.763
  364   HD11  ILE  47          HD11      ILE  47  26.769   3.851 -12.369
  365   HD12  ILE  47          HD12      ILE  47  26.467   2.121 -12.568
  366   HD13  ILE  47          HD13      ILE  47  27.367   3.023 -13.813
  367    H    ALA  48           H        ALA  48  25.537   5.678 -17.456
  368    HA   ALA  48           HA       ALA  48  24.986   8.422 -17.140
  369    HB1  ALA  48           HB1      ALA  48  27.026   7.599 -18.270
  370    HB2  ALA  48           HB2      ALA  48  26.046   6.946 -19.610
  371    HB3  ALA  48           HB3      ALA  48  26.136   8.703 -19.334
  372    H    MET  49           H        MET  49  23.590   6.029 -19.446
  373    HA   MET  49           HA       MET  49  21.905   7.937 -20.810
  374    HB2  MET  49           HB2      MET  49  21.783   4.890 -20.487
  375    HB3  MET  49           HB3      MET  49  20.753   5.803 -21.595
  376    HG2  MET  49           HG2      MET  49  23.804   5.824 -21.677
  377    HG3  MET  49           HG3      MET  49  22.794   4.809 -22.674
  378    HE1  MET  49           HE1      MET  49  24.446   8.624 -23.908
  379    HE2  MET  49           HE2      MET  49  24.456   8.146 -22.190
  380    HE3  MET  49           HE3      MET  49  25.077   7.026 -23.428
  381    H    MET  50           H        MET  50  21.520   5.909 -17.947
  382    HA   MET  50           HA       MET  50  18.658   6.289 -17.797
  383    HB2  MET  50           HB2      MET  50  20.569   5.201 -15.714
  384    HB3  MET  50           HB3      MET  50  18.816   5.122 -15.673
  385    HG2  MET  50           HG2      MET  50  20.696   3.308 -16.912
  386    HG3  MET  50           HG3      MET  50  19.019   3.086 -16.603
  387    HE1  MET  50           HE1      MET  50  19.431   1.817 -20.415
  388    HE2  MET  50           HE2      MET  50  20.873   1.854 -19.397
  389    HE3  MET  50           HE3      MET  50  19.345   1.258 -18.726
  390    H    GLU  51           H        GLU  51  21.571   7.864 -16.492
  391    HA   GLU  51           HA       GLU  51  20.147   9.700 -14.850
  392    HB2  GLU  51           HB2      GLU  51  22.493   9.071 -14.478
  393    HB3  GLU  51           HB3      GLU  51  22.956   9.832 -16.012
  394    HG2  GLU  51           HG2      GLU  51  22.306  12.027 -15.159
  395    HG3  GLU  51           HG3      GLU  51  21.633  11.302 -13.692
  396    H    GLU  52           H        GLU  52  20.758   9.473 -18.313
  397    HA   GLU  52           HA       GLU  52  20.159  12.247 -18.791
  398    HB2  GLU  52           HB2      GLU  52  20.089   9.901 -20.707
  399    HB3  GLU  52           HB3      GLU  52  19.588  11.513 -21.157
  400    HG2  GLU  52           HG2      GLU  52  22.334  10.893 -20.012
  401    HG3  GLU  52           HG3      GLU  52  21.964  10.897 -21.735
  402    H    VAL  53           H        VAL  53  18.222   9.346 -18.220
  403    HA   VAL  53           HA       VAL  53  15.794  11.049 -18.467
  404    HB   VAL  53           HB       VAL  53  15.789   8.813 -19.468
  405   HG11  VAL  53          HG11      VAL  53  15.643   7.830 -16.596
  406   HG12  VAL  53          HG12      VAL  53  15.117   6.871 -17.992
  407   HG13  VAL  53          HG13      VAL  53  16.800   7.372 -17.858
  408   HG21  VAL  53          HG21      VAL  53  13.543   9.241 -17.487
  409   HG22  VAL  53          HG22      VAL  53  13.737  10.114 -19.022
  410   HG23  VAL  53          HG23      VAL  53  13.488   8.363 -19.027
  411    H    GLY  54           H        GLY  54  18.097  11.038 -16.291
  412    HA2  GLY  54           HA2      GLY  54  18.160  12.031 -14.253
  413    HA3  GLY  54           HA3      GLY  54  16.398  12.171 -14.269
  414    H    ILE  55           H        ILE  55  17.861   8.982 -14.672
  415    HA   ILE  55           HA       ILE  55  16.932   8.193 -11.952
  416    HB   ILE  55           HB       ILE  55  16.787   6.793 -14.575
  417   HG12  ILE  55          HG12      ILE  55  14.707   7.919 -12.664
  418   HG13  ILE  55          HG13      ILE  55  15.024   8.410 -14.326
  419   HG21  ILE  55          HG21      ILE  55  15.751   4.875 -13.435
  420   HG22  ILE  55          HG22      ILE  55  17.387   5.112 -12.876
  421   HG23  ILE  55          HG23      ILE  55  16.021   5.654 -11.865
  422   HD11  ILE  55          HD11      ILE  55  14.240   6.070 -15.041
  423   HD12  ILE  55          HD12      ILE  55  13.687   5.893 -13.346
  424   HD13  ILE  55          HD13      ILE  55  13.017   7.165 -14.385
  425    H    ASP  56           H        ASP  56  18.233   6.765 -10.745
  426    HA   ASP  56           HA       ASP  56  20.858   6.028 -11.963
  427    HB2  ASP  56           HB2      ASP  56  21.281   7.385 -10.003
  428    HB3  ASP  56           HB3      ASP  56  20.203   6.367  -9.025
  429    H    ILE  57           H        ILE  57  21.494   3.941 -11.718
  430    HA   ILE  57           HA       ILE  57  19.703   1.931 -10.500
  431    HB   ILE  57           HB       ILE  57  20.150   0.383 -12.456
  432   HG12  ILE  57          HG12      ILE  57  20.588   2.941 -14.062
  433   HG13  ILE  57          HG13      ILE  57  21.928   1.948 -13.487
  434   HG21  ILE  57          HG21      ILE  57  18.216   1.233 -13.757
  435   HG22  ILE  57          HG22      ILE  57  17.952   1.214 -12.022
  436   HG23  ILE  57          HG23      ILE  57  18.298   2.761 -12.859
  437   HD11  ILE  57          HD11      ILE  57  21.002  -0.011 -14.722
  438   HD12  ILE  57          HD12      ILE  57  19.740   1.052 -15.403
  439   HD13  ILE  57          HD13      ILE  57  21.450   1.365 -15.742
  440    H    SER  58           H        SER  58  22.920   3.172 -11.098
  441    HA   SER  58           HA       SER  58  24.621   1.067 -10.569
  442    HB2  SER  58           HB2      SER  58  25.073   3.588 -10.871
  443    HB3  SER  58           HB3      SER  58  24.795   3.744  -9.137
  444    HG   SER  58           HG       SER  58  27.039   3.387  -9.854
  445    H    GLY  59           H        GLY  59  22.699   2.922  -8.179
  446    HA2  GLY  59           HA2      GLY  59  23.617   1.418  -5.899
  447    HA3  GLY  59           HA3      GLY  59  22.338   2.633  -5.947
  448    H    GLN  60           H        GLN  60  22.194  -0.326  -8.017
  449    HA   GLN  60           HA       GLN  60  19.577  -0.866  -7.154
  450    HB2  GLN  60           HB2      GLN  60  21.355  -1.862  -9.142
  451    HB3  GLN  60           HB3      GLN  60  20.990  -3.263  -8.131
  452    HG2  GLN  60           HG2      GLN  60  18.545  -2.776  -8.402
  453    HG3  GLN  60           HG3      GLN  60  18.966  -1.401  -9.448
  454   HE21  GLN  60          HE22      GLN  60  19.645  -1.806 -11.627
  455   HE22  GLN  60          HE21      GLN  60  19.813  -3.436 -12.276
  456    H    THR  61           H        THR  61  22.632  -2.126  -5.894
  457    HA   THR  61           HA       THR  61  21.310  -4.376  -4.697
  458    HB   THR  61           HB       THR  61  23.391  -4.784  -5.700
  459    HG1  THR  61           HG1      THR  61  24.275  -6.010  -4.119
  460   HG21  THR  61          HG21      THR  61  24.680  -2.920  -3.648
  461   HG22  THR  61          HG22      THR  61  25.561  -3.997  -4.751
  462   HG23  THR  61          HG23      THR  61  24.615  -2.661  -5.403
  463    H    SER  62           H        SER  62  21.866  -4.915  -2.443
  464    HA   SER  62           HA       SER  62  22.237  -3.004  -0.384
  465    HB2  SER  62           HB2      SER  62  19.372  -3.525  -1.224
  466    HB3  SER  62           HB3      SER  62  19.748  -3.211   0.485
  467    HG   SER  62           HG       SER  62  20.645  -1.531  -1.610
  468    H    ASP  63           H        ASP  63  20.224  -5.938  -1.176
  469    HA   ASP  63           HA       ASP  63  21.789  -7.603   0.647
  470    HB2  ASP  63           HB2      ASP  63  18.927  -6.765   1.178
  471    HB3  ASP  63           HB3      ASP  63  19.396  -8.421   1.513
  472    HA   PRO  64           HA       PRO  64  20.444 -10.514  -2.554
  473    HB2  PRO  64           HB2      PRO  64  20.527 -12.910  -1.249
  474    HB3  PRO  64           HB3      PRO  64  22.015 -12.004  -1.657
  475    HG2  PRO  64           HG2      PRO  64  20.511 -11.995   1.005
  476    HG3  PRO  64           HG3      PRO  64  22.257 -12.270   0.726
  477    HD2  PRO  64           HD2      PRO  64  21.296  -9.831   1.396
  478    HD3  PRO  64           HD3      PRO  64  22.633  -9.989   0.220
  479    H    ILE  65           H        ILE  65  18.527 -11.811  -3.113
  480    HA   ILE  65           HA       ILE  65  16.135 -10.896  -1.940
  481    HB   ILE  65           HB       ILE  65  16.683 -12.020  -4.247
  482   HG12  ILE  65          HG12      ILE  65  14.025 -12.460  -2.886
  483   HG13  ILE  65          HG13      ILE  65  14.568 -10.957  -3.609
  484   HG21  ILE  65          HG21      ILE  65  17.336 -14.233  -3.314
  485   HG22  ILE  65          HG22      ILE  65  15.654 -14.486  -2.787
  486   HG23  ILE  65          HG23      ILE  65  16.030 -14.338  -4.499
  487   HD11  ILE  65          HD11      ILE  65  13.114 -12.015  -5.202
  488   HD12  ILE  65          HD12      ILE  65  14.767 -12.156  -5.833
  489   HD13  ILE  65          HD13      ILE  65  13.968 -13.556  -5.074
  490    H    GLU  66           H        GLU  66  18.177 -13.515  -0.950
  491    HA   GLU  66           HA       GLU  66  16.300 -15.175   0.340
  492    HB2  GLU  66           HB2      GLU  66  19.181 -14.793   1.247
  493    HB3  GLU  66           HB3      GLU  66  18.203 -16.264   1.317
  494    HG2  GLU  66           HG2      GLU  66  18.215 -16.257  -1.228
  495    HG3  GLU  66           HG3      GLU  66  19.348 -14.893  -1.133
  496    H    ASN  67           H        ASN  67  17.857 -12.235   1.213
  497    HA   ASN  67           HA       ASN  67  17.594 -12.272   4.054
  498    HB2  ASN  67           HB2      ASN  67  18.989 -10.703   2.486
  499    HB3  ASN  67           HB3      ASN  67  17.503  -9.762   2.355
  500   HD21  ASN  67          HD22      ASN  67  19.955 -11.044   4.620
  501   HD22  ASN  67          HD21      ASN  67  19.656  -9.888   5.895
  502    H    PHE  68           H        PHE  68  15.231 -11.876   1.567
  503    HA   PHE  68           HA       PHE  68  13.277 -10.422   3.285
  504    HB2  PHE  68           HB2      PHE  68  13.364 -10.856   0.266
  505    HB3  PHE  68           HB3      PHE  68  12.170  -9.909   1.133
  506    HD1  PHE  68           HD2      PHE  68  15.695 -10.063   0.123
  507    HD2  PHE  68           HD1      PHE  68  12.603  -7.708   1.912
  508    HE1  PHE  68           HE2      PHE  68  17.167  -8.040  -0.050
  509    HE2  PHE  68           HE1      PHE  68  14.037  -5.662   1.730
  510    HZ   PHE  68           HZ       PHE  68  16.327  -5.839   0.753
  511    H    ASN  69           H        ASN  69  10.933 -11.122   2.179
  512    HA   ASN  69           HA       ASN  69  10.874 -13.962   1.758
  513    HB2  ASN  69           HB2      ASN  69  10.206 -13.474   4.224
  514    HB3  ASN  69           HB3      ASN  69   8.827 -12.580   3.534
  515   HD21  ASN  69          HD22      ASN  69   8.448 -14.748   5.347
  516   HD22  ASN  69          HD21      ASN  69   7.687 -16.046   4.453
  517    H    ALA  70           H        ALA  70   9.043 -14.535   0.313
  518    HA   ALA  70           HA       ALA  70   8.498 -12.253  -1.342
  519    HB1  ALA  70           HB1      ALA  70   9.137 -14.576  -2.271
  520    HB2  ALA  70           HB2      ALA  70   7.557 -15.140  -1.707
  521    HB3  ALA  70           HB3      ALA  70   7.656 -13.873  -2.950
  522    H    ASP  71           H        ASP  71   7.029 -14.239   1.118
  523    HA   ASP  71           HA       ASP  71   4.367 -13.702   0.496
  524    HB2  ASP  71           HB2      ASP  71   5.053 -15.499   2.026
  525    HB3  ASP  71           HB3      ASP  71   5.662 -14.308   3.183
  526    H    ASP  72           H        ASP  72   6.796 -11.645   1.957
  527    HA   ASP  72           HA       ASP  72   4.934  -9.806   3.191
  528    HB2  ASP  72           HB2      ASP  72   7.239 -10.176   4.061
  529    HB3  ASP  72           HB3      ASP  72   7.879  -9.515   2.547
  530    H    TYR  73           H        TYR  73   6.466 -10.333   0.125
  531    HA   TYR  73           HA       TYR  73   6.035  -7.660  -0.895
  532    HB2  TYR  73           HB2      TYR  73   7.430 -10.131  -1.900
  533    HB3  TYR  73           HB3      TYR  73   6.916  -8.921  -3.065
  534    HD1  TYR  73           HD1      TYR  73   8.698  -9.070   0.266
  535    HD2  TYR  73           HD2      TYR  73   8.400  -7.172  -3.598
  536    HE1  TYR  73           HE1      TYR  73  10.426  -7.456   0.936
  537    HE2  TYR  73           HE2      TYR  73  10.163  -5.563  -2.945
  538    HH   TYR  73           HH       TYR  73  11.477  -4.734  -1.147
  539    H    ASP  74           H        ASP  74   4.999  -7.494  -3.173
  540    HA   ASP  74           HA       ASP  74   2.391  -8.985  -3.111
  541    HB2  ASP  74           HB2      ASP  74   2.130  -6.644  -2.454
  542    HB3  ASP  74           HB3      ASP  74   2.920  -6.127  -3.948
  543    H    VAL  75           H        VAL  75   4.899  -7.422  -5.180
  544    HA   VAL  75           HA       VAL  75   4.004  -9.138  -7.417
  545    HB   VAL  75           HB       VAL  75   3.009  -7.192  -8.027
  546   HG11  VAL  75          HG11      VAL  75   3.773  -4.884  -7.776
  547   HG12  VAL  75          HG12      VAL  75   3.439  -5.686  -6.247
  548   HG13  VAL  75          HG13      VAL  75   5.106  -5.469  -6.785
  549   HG21  VAL  75          HG21      VAL  75   4.642  -7.845  -9.777
  550   HG22  VAL  75          HG22      VAL  75   4.293  -6.098  -9.787
  551   HG23  VAL  75          HG23      VAL  75   5.813  -6.714  -9.098
  552    H    VAL  76           H        VAL  76   5.577 -10.073  -8.605
  553    HA   VAL  76           HA       VAL  76   8.370  -9.208  -8.208
  554    HB   VAL  76           HB       VAL  76   7.218 -11.943  -7.658
  555   HG11  VAL  76          HG11      VAL  76  10.151 -11.060  -7.835
  556   HG12  VAL  76          HG12      VAL  76   9.609 -12.609  -7.163
  557   HG13  VAL  76          HG13      VAL  76   9.333 -12.254  -8.864
  558   HG21  VAL  76          HG21      VAL  76   8.087 -11.777  -5.413
  559   HG22  VAL  76          HG22      VAL  76   8.861 -10.214  -5.741
  560   HG23  VAL  76          HG23      VAL  76   7.096 -10.371  -5.689
  561    H    ILE  77           H        ILE  77   9.353  -9.225 -10.124
  562    HA   ILE  77           HA       ILE  77   7.999 -10.490 -12.461
  563    HB   ILE  77           HB       ILE  77   9.752  -8.024 -12.243
  564   HG12  ILE  77          HG12      ILE  77   7.644  -7.538 -11.094
  565   HG13  ILE  77          HG13      ILE  77   7.802  -6.636 -12.575
  566   HG21  ILE  77          HG21      ILE  77   9.985  -8.862 -14.431
  567   HG22  ILE  77          HG22      ILE  77   8.242  -9.197 -14.594
  568   HG23  ILE  77          HG23      ILE  77   8.847  -7.522 -14.562
  569   HD11  ILE  77          HD11      ILE  77   6.180  -8.043 -13.704
  570   HD12  ILE  77          HD12      ILE  77   6.150  -9.202 -12.351
  571   HD13  ILE  77          HD13      ILE  77   5.504  -7.569 -12.139
  572    H    SER  78           H        SER  78   9.207 -11.975 -13.516
  573    HA   SER  78           HA       SER  78  12.069 -12.210 -12.815
  574    HB2  SER  78           HB2      SER  78  10.313 -13.963 -14.580
  575    HB3  SER  78           HB3      SER  78  12.025 -14.242 -14.209
  576    HG   SER  78           HG       SER  78  10.762 -15.468 -12.773
  577    H    LEU  79           H        LEU  79  13.630 -11.706 -14.366
  578    HA   LEU  79           HA       LEU  79  12.586 -10.560 -16.942
  579    HB2  LEU  79           HB2      LEU  79  15.039  -9.738 -15.359
  580    HB3  LEU  79           HB3      LEU  79  14.667  -9.199 -16.996
  581    HG   LEU  79           HG       LEU  79  12.895  -8.667 -14.543
  582   HD11  LEU  79          HD11      LEU  79  14.788  -6.910 -16.156
  583   HD12  LEU  79          HD12      LEU  79  13.715  -6.368 -14.854
  584   HD13  LEU  79          HD13      LEU  79  15.044  -7.482 -14.477
  585   HD21  LEU  79          HD21      LEU  79  11.489  -8.698 -16.502
  586   HD22  LEU  79          HD22      LEU  79  11.820  -7.010 -16.098
  587   HD23  LEU  79          HD23      LEU  79  12.684  -7.787 -17.451
  588    H    CYS  80           H        CYS  80  13.616 -13.373 -15.886
  589    HA   CYS  80           HA       CYS  80  14.259 -14.148 -18.482
  590    HB2  CYS  80           HB2      CYS  80  16.414 -15.318 -17.985
  591    HB3  CYS  80           HB3      CYS  80  16.543 -13.576 -18.106
  592    H    GLY  81           H        GLY  81  13.788 -16.328 -18.771
  593    HA2  GLY  81           HA2      GLY  81  12.957 -18.400 -18.347
  594    HA3  GLY  81           HA3      GLY  81  14.028 -18.364 -16.954
  595    H    SER  82           H        SER  82  12.578 -19.757 -15.940
  596    HA   SER  82           HA       SER  82  10.539 -18.412 -14.306
  597    HB2  SER  82           HB2      SER  82   9.988 -21.038 -15.779
  598    HB3  SER  82           HB3      SER  82   8.936 -20.261 -14.583
  599    HG   SER  82           HG       SER  82   8.300 -19.852 -16.779
  600    H    GLY  83           H        GLY  83  10.992 -19.056 -12.169
  601    HA2  GLY  83           HA2      GLY  83  12.195 -20.052 -10.460
  602    HA3  GLY  83           HA3      GLY  83  12.066 -21.573 -11.367
  603    H    VAL  84           H        VAL  84  13.634 -18.467 -12.205
  604    HA   VAL  84           HA       VAL  84  15.788 -19.823 -13.491
  605    HB   VAL  84           HB       VAL  84  14.431 -17.847 -14.217
  606   HG11  VAL  84          HG11      VAL  84  15.059 -15.590 -13.730
  607   HG12  VAL  84          HG12      VAL  84  14.719 -16.381 -12.191
  608   HG13  VAL  84          HG13      VAL  84  16.396 -16.082 -12.717
  609   HG21  VAL  84          HG21      VAL  84  16.340 -18.697 -15.459
  610   HG22  VAL  84          HG22      VAL  84  16.086 -16.969 -15.662
  611   HG23  VAL  84          HG23      VAL  84  17.408 -17.548 -14.606
  612    H    ASN  85           H        ASN  85  16.311 -20.880 -11.369
  613    HA   ASN  85           HA       ASN  85  17.720 -21.360  -9.670
  614    HB2  ASN  85           HB2      ASN  85  19.614 -20.826 -11.179
  615    HB3  ASN  85           HB3      ASN  85  19.545 -19.138 -10.652
  616   HD21  ASN  85          HD22      ASN  85  21.763 -19.315  -9.814
  617   HD22  ASN  85          HD21      ASN  85  22.067 -20.185  -8.323
  618    H    LEU  86           H        LEU  86  15.561 -20.330  -9.027
  619    HA   LEU  86           HA       LEU  86  15.918 -18.138  -7.088
  620    HB2  LEU  86           HB2      LEU  86  15.374 -16.933  -9.021
  621    HB3  LEU  86           HB3      LEU  86  14.339 -18.166  -9.662
  622    HG   LEU  86           HG       LEU  86  13.369 -16.901  -7.128
  623   HD11  LEU  86          HD11      LEU  86  12.438 -14.966  -8.414
  624   HD12  LEU  86          HD12      LEU  86  14.199 -14.921  -8.322
  625   HD13  LEU  86          HD13      LEU  86  13.407 -15.452  -9.825
  626   HD21  LEU  86          HD21      LEU  86  12.061 -18.639  -8.426
  627   HD22  LEU  86          HD22      LEU  86  11.215 -17.089  -8.402
  628   HD23  LEU  86          HD23      LEU  86  12.104 -17.589  -9.853
  629    HA   PRO  87           HA       PRO  87  13.239 -21.031  -4.998
  630    HB2  PRO  87           HB2      PRO  87  12.453 -18.748  -3.215
  631    HB3  PRO  87           HB3      PRO  87  13.045 -20.374  -2.775
  632    HG2  PRO  87           HG2      PRO  87  14.692 -18.208  -2.636
  633    HG3  PRO  87           HG3      PRO  87  15.287 -19.790  -3.233
  634    HD2  PRO  87           HD2      PRO  87  14.445 -17.378  -4.858
  635    HD3  PRO  87           HD3      PRO  87  15.859 -18.455  -5.045
  636    HA   PRO  88           HA       PRO  88   9.594 -20.237  -7.239
  637    HB2  PRO  88           HB2      PRO  88   7.763 -22.042  -6.240
  638    HB3  PRO  88           HB3      PRO  88   9.190 -22.515  -7.214
  639    HG2  PRO  88           HG2      PRO  88   8.939 -22.473  -4.186
  640    HG3  PRO  88           HG3      PRO  88   9.548 -23.803  -5.227
  641    HD2  PRO  88           HD2      PRO  88  11.262 -22.097  -4.023
  642    HD3  PRO  88           HD3      PRO  88  11.558 -22.622  -5.708
  643    H    GLU  89           H        GLU  89   9.190 -19.785  -3.692
  644    HA   GLU  89           HA       GLU  89   6.580 -18.717  -3.926
  645    HB2  GLU  89           HB2      GLU  89   7.071 -17.563  -1.788
  646    HB3  GLU  89           HB3      GLU  89   7.431 -19.276  -1.748
  647    HG2  GLU  89           HG2      GLU  89   9.716 -17.422  -2.412
  648    HG3  GLU  89           HG3      GLU  89   9.075 -17.368  -0.779
  649    H    TRP  90           H        TRP  90   9.562 -17.418  -5.094
  650    HA   TRP  90           HA       TRP  90   8.638 -14.649  -5.167
  651    HB2  TRP  90           HB2      TRP  90  10.970 -16.136  -6.394
  652    HB3  TRP  90           HB3      TRP  90  10.717 -14.418  -6.597
  653    HD1  TRP  90           HD1      TRP  90  12.284 -16.829  -4.283
  654    HE1  TRP  90           HE1      TRP  90  12.974 -15.761  -2.050
  655    HE3  TRP  90           HE3      TRP  90  10.065 -12.311  -4.878
  656    HZ2  TRP  90           HZ2      TRP  90  12.407 -13.290  -0.612
  657    HZ3  TRP  90           HZ3      TRP  90  10.017 -10.647  -3.042
  658    HH2  TRP  90           HH2      TRP  90  11.192 -11.110  -0.918
  659    H    VAL  91           H        VAL  91   8.646 -17.460  -7.343
  660    HA   VAL  91           HA       VAL  91   7.781 -15.799  -9.571
  661    HB   VAL  91           HB       VAL  91   9.391 -17.830  -9.658
  662   HG11  VAL  91          HG11      VAL  91   8.435 -19.957 -10.343
  663   HG12  VAL  91          HG12      VAL  91   7.895 -19.567  -8.711
  664   HG13  VAL  91          HG13      VAL  91   6.793 -19.351 -10.082
  665   HG21  VAL  91          HG21      VAL  91   8.836 -18.221 -12.009
  666   HG22  VAL  91          HG22      VAL  91   7.255 -17.464 -11.772
  667   HG23  VAL  91          HG23      VAL  91   8.735 -16.502 -11.588
  668    H    THR  92           H        THR  92   6.158 -17.248  -6.941
  669    HA   THR  92           HA       THR  92   3.658 -17.333  -8.493
  670    HB   THR  92           HB       THR  92   2.925 -18.763  -6.592
  671    HG1  THR  92           HG1      THR  92   4.254 -19.161  -4.893
  672   HG21  THR  92          HG21      THR  92   4.434 -20.661  -6.938
  673   HG22  THR  92          HG22      THR  92   4.126 -19.821  -8.481
  674   HG23  THR  92          HG23      THR  92   5.665 -19.587  -7.623
  675    H    GLN  93           H        GLN  93   4.834 -14.716  -7.300
  676    HA   GLN  93           HA       GLN  93   2.918 -14.103  -5.267
  677    HB2  GLN  93           HB2      GLN  93   4.845 -12.339  -6.836
  678    HB3  GLN  93           HB3      GLN  93   3.750 -11.688  -5.633
  679    HG2  GLN  93           HG2      GLN  93   5.920 -13.756  -5.131
  680    HG3  GLN  93           HG3      GLN  93   5.863 -12.098  -4.541
  681   HE21  GLN  93          HE22      GLN  93   5.621 -15.104  -3.359
  682   HE22  GLN  93          HE21      GLN  93   4.409 -14.864  -2.110
  683    H    GLU  94           H        GLU  94   1.584 -11.860  -5.626
  684    HA   GLU  94           HA       GLU  94  -0.739 -12.861  -6.755
  685    HB2  GLU  94           HB2      GLU  94  -0.010  -9.945  -6.246
  686    HB3  GLU  94           HB3      GLU  94  -1.639 -10.542  -6.524
  687    HG2  GLU  94           HG2      GLU  94   0.144 -11.318  -4.173
  688    HG3  GLU  94           HG3      GLU  94  -1.198 -10.188  -4.131
  689    H    ILE  95           H        ILE  95   1.746 -10.963  -8.349
  690    HA   ILE  95           HA       ILE  95   0.526 -11.652 -10.919
  691    HB   ILE  95           HB       ILE  95  -0.083  -9.388 -10.911
  692   HG12  ILE  95          HG12      ILE  95   2.631  -9.332 -12.288
  693   HG13  ILE  95          HG13      ILE  95   1.271 -10.262 -12.915
  694   HG21  ILE  95          HG21      ILE  95   2.631  -8.798  -9.700
  695   HG22  ILE  95          HG22      ILE  95   1.613  -7.539 -10.382
  696   HG23  ILE  95          HG23      ILE  95   1.029  -8.479  -9.004
  697   HD11  ILE  95          HD11      ILE  95   1.504  -8.051 -14.037
  698   HD12  ILE  95          HD12      ILE  95  -0.066  -8.236 -13.222
  699   HD13  ILE  95          HD13      ILE  95   1.204  -7.234 -12.505
  700    H    PHE  96           H        PHE  96   1.942 -12.825 -11.969
  701    HA   PHE  96           HA       PHE  96   4.852 -12.582 -11.403
  702    HB2  PHE  96           HB2      PHE  96   4.518 -14.710 -10.743
  703    HB3  PHE  96           HB3      PHE  96   3.179 -15.012 -11.856
  704    HD1  PHE  96           HD1      PHE  96   6.844 -14.045 -12.101
  705    HD2  PHE  96           HD2      PHE  96   3.625 -16.483 -13.626
  706    HE1  PHE  96           HE1      PHE  96   8.352 -14.975 -13.828
  707    HE2  PHE  96           HE2      PHE  96   5.167 -17.460 -15.310
  708    HZ   PHE  96           HZ       PHE  96   7.532 -16.699 -15.423
  709    H    GLU  97           H        GLU  97   5.974 -11.990 -13.303
  710    HA   GLU  97           HA       GLU  97   4.786 -12.457 -15.926
  711    HB2  GLU  97           HB2      GLU  97   5.937  -9.761 -15.096
  712    HB3  GLU  97           HB3      GLU  97   5.553 -10.217 -16.742
  713    HG2  GLU  97           HG2      GLU  97   3.434 -10.033 -14.562
  714    HG3  GLU  97           HG3      GLU  97   3.939  -8.676 -15.546
  715    H    ASP  98           H        ASP  98   6.482 -12.641 -17.495
  716    HA   ASP  98           HA       ASP  98   9.246 -12.398 -16.564
  717    HB2  ASP  98           HB2      ASP  98   9.012 -14.770 -16.416
  718    HB3  ASP  98           HB3      ASP  98   8.178 -14.837 -17.981
  719    H    TRP  99           H        TRP  99  10.535 -11.457 -18.163
  720    HA   TRP  99           HA       TRP  99   9.095 -10.717 -20.672
  721    HB2  TRP  99           HB2      TRP  99  10.907  -8.909 -19.045
  722    HB3  TRP  99           HB3      TRP  99  10.162  -8.515 -20.581
  723    HD1  TRP  99           HD1      TRP  99   9.901  -7.188 -17.518
  724    HE1  TRP  99           HE1      TRP  99   7.588  -6.425 -16.787
  725    HE3  TRP  99           HE3      TRP  99   7.055  -9.903 -20.828
  726    HZ2  TRP  99           HZ2      TRP  99   4.847  -6.864 -17.564
  727    HZ3  TRP  99           HZ3      TRP  99   4.599  -9.677 -20.813
  728    HH2  TRP  99           HH2      TRP  99   3.477  -8.170 -19.190
  729    H    GLN 100           H        GLN 100  10.254 -10.875 -22.532
  730    HA   GLN 100           HA       GLN 100  13.001 -11.896 -22.408
  731    HB2  GLN 100           HB2      GLN 100  11.253 -12.822 -23.980
  732    HB3  GLN 100           HB3      GLN 100  11.266 -11.285 -24.836
  733    HG2  GLN 100           HG2      GLN 100  12.659 -12.799 -26.052
  734    HG3  GLN 100           HG3      GLN 100  13.751 -11.656 -25.291
  735   HE21  GLN 100          HE22      GLN 100  12.721 -15.048 -25.414
  736   HE22  GLN 100          HE21      GLN 100  13.933 -15.653 -24.306
  737    H    LEU 101           H        LEU 101  13.441  -9.802 -21.150
  738    HA   LEU 101           HA       LEU 101  13.237  -7.270 -22.499
  739    HB2  LEU 101           HB2      LEU 101  13.757  -8.079 -19.846
  740    HB3  LEU 101           HB3      LEU 101  15.300  -7.428 -20.395
  741    HG   LEU 101           HG       LEU 101  14.018  -5.344 -21.166
  742   HD11  LEU 101          HD11      LEU 101  11.838  -6.604 -19.421
  743   HD12  LEU 101          HD12      LEU 101  11.814  -4.953 -20.061
  744   HD13  LEU 101          HD13      LEU 101  11.727  -6.327 -21.171
  745   HD21  LEU 101          HD21      LEU 101  14.066  -6.082 -18.205
  746   HD22  LEU 101          HD22      LEU 101  15.375  -5.326 -19.135
  747   HD23  LEU 101          HD23      LEU 101  13.883  -4.431 -18.828
  748    H    GLU 102           H        GLU 102  14.519  -6.336 -23.914
  749    HA   GLU 102           HA       GLU 102  17.019  -7.550 -24.741
  750    HB2  GLU 102           HB2      GLU 102  15.467  -5.109 -25.663
  751    HB3  GLU 102           HB3      GLU 102  17.059  -5.542 -26.312
  752    HG2  GLU 102           HG2      GLU 102  16.211  -7.720 -27.065
  753    HG3  GLU 102           HG3      GLU 102  14.625  -7.387 -26.365
  754    H    ASP 103           H        ASP 103  19.074  -6.098 -24.678
  755    HA   ASP 103           HA       ASP 103  19.088  -4.276 -22.413
  756    HB2  ASP 103           HB2      ASP 103  19.287  -6.519 -21.419
  757    HB3  ASP 103           HB3      ASP 103  20.687  -6.848 -22.450
  758    HA   PRO 104           HA       PRO 104  22.154  -2.701 -25.197
  759    HB2  PRO 104           HB2      PRO 104  22.593  -0.301 -24.169
  760    HB3  PRO 104           HB3      PRO 104  20.936  -0.812 -24.609
  761    HG2  PRO 104           HG2      PRO 104  22.199  -0.921 -21.844
  762    HG3  PRO 104           HG3      PRO 104  20.645  -0.146 -22.316
  763    HD2  PRO 104           HD2      PRO 104  20.776  -2.708 -21.358
  764    HD3  PRO 104           HD3      PRO 104  19.585  -2.194 -22.585
  765    H    ASP 105           H        ASP 105  23.277  -4.234 -22.427
  766    HA   ASP 105           HA       ASP 105  25.768  -3.108 -21.856
  767    HB2  ASP 105           HB2      ASP 105  25.017  -4.943 -20.548
  768    HB3  ASP 105           HB3      ASP 105  24.828  -5.988 -21.960
  769    H    GLY 106           H        GLY 106  27.582  -2.788 -22.975
  770    HA2  GLY 106           HA2      GLY 106  29.348  -3.075 -24.371
  771    HA3  GLY 106           HA3      GLY 106  28.853  -4.766 -24.497
  772    H    GLN 107           H        GLN 107  26.714  -2.162 -25.670
  773    HA   GLN 107           HA       GLN 107  27.571  -2.596 -28.460
  774    HB2  GLN 107           HB2      GLN 107  25.320  -3.268 -29.210
  775    HB3  GLN 107           HB3      GLN 107  26.058  -4.423 -28.100
  776    HG2  GLN 107           HG2      GLN 107  24.680  -3.174 -26.269
  777    HG3  GLN 107           HG3      GLN 107  23.786  -2.498 -27.618
  778   HE21  GLN 107          HE22      GLN 107  24.645  -5.394 -25.753
  779   HE22  GLN 107          HE21      GLN 107  23.441  -6.473 -26.435
  780    H    SER 108           H        SER 108  25.537  -1.345 -29.789
  781    HA   SER 108           HA       SER 108  26.483   1.209 -29.524
  782    HB2  SER 108           HB2      SER 108  24.023   0.419 -31.126
  783    HB3  SER 108           HB3      SER 108  25.210   1.675 -31.516
  784    HG   SER 108           HG       SER 108  25.582  -0.252 -32.724
  785    H    LEU 109           H        LEU 109  25.535   3.258 -29.357
  786    HA   LEU 109           HA       LEU 109  23.963   3.930 -27.183
  787    HB2  LEU 109           HB2      LEU 109  25.531   5.337 -28.499
  788    HB3  LEU 109           HB3      LEU 109  24.376   5.365 -29.835
  789    HG   LEU 109           HG       LEU 109  22.761   6.609 -28.435
  790   HD11  LEU 109          HD11      LEU 109  23.271   5.810 -26.195
  791   HD12  LEU 109          HD12      LEU 109  24.936   6.423 -26.308
  792   HD13  LEU 109          HD13      LEU 109  23.561   7.550 -26.239
  793   HD21  LEU 109          HD21      LEU 109  24.407   7.823 -29.805
  794   HD22  LEU 109          HD22      LEU 109  24.068   8.717 -28.311
  795   HD23  LEU 109          HD23      LEU 109  25.571   7.783 -28.463
  796    H    GLU 110           H        GLU 110  22.937   3.203 -30.506
  797    HA   GLU 110           HA       GLU 110  20.250   3.996 -30.351
  798    HB2  GLU 110           HB2      GLU 110  21.434   3.353 -32.406
  799    HB3  GLU 110           HB3      GLU 110  21.563   1.681 -31.843
  800    HG2  GLU 110           HG2      GLU 110  19.140   1.408 -31.954
  801    HG3  GLU 110           HG3      GLU 110  18.920   3.119 -32.332
  802    H    VAL 111           H        VAL 111  21.823   1.066 -29.057
  803    HA   VAL 111           HA       VAL 111  19.312  -0.250 -28.579
  804    HB   VAL 111           HB       VAL 111  21.936  -1.022 -27.325
  805   HG11  VAL 111          HG11      VAL 111  20.947  -3.283 -27.392
  806   HG12  VAL 111          HG12      VAL 111  19.911  -2.175 -26.494
  807   HG13  VAL 111          HG13      VAL 111  19.484  -2.629 -28.157
  808   HG21  VAL 111          HG21      VAL 111  20.920  -1.709 -30.130
  809   HG22  VAL 111          HG22      VAL 111  22.421  -0.845 -29.730
  810   HG23  VAL 111          HG23      VAL 111  22.264  -2.542 -29.326
  811    H    PHE 112           H        PHE 112  21.621   1.635 -26.523
  812    HA   PHE 112           HA       PHE 112  20.146   1.459 -24.074
  813    HB2  PHE 112           HB2      PHE 112  21.770   3.770 -25.233
  814    HB3  PHE 112           HB3      PHE 112  21.102   3.732 -23.609
  815    HD1  PHE 112           HD2      PHE 112  22.023   2.260 -21.865
  816    HD2  PHE 112           HD1      PHE 112  23.723   2.364 -25.824
  817    HE1  PHE 112           HE2      PHE 112  23.994   0.972 -21.072
  818    HE2  PHE 112           HE1      PHE 112  25.715   1.154 -25.007
  819    HZ   PHE 112           HZ       PHE 112  25.849   0.429 -22.655
  820    H    ARG 113           H        ARG 113  19.863   3.815 -26.781
  821    HA   ARG 113           HA       ARG 113  17.685   5.283 -25.671
  822    HB2  ARG 113           HB2      ARG 113  18.628   4.802 -28.535
  823    HB3  ARG 113           HB3      ARG 113  17.318   5.921 -28.142
  824    HG2  ARG 113           HG2      ARG 113  18.728   7.348 -26.873
  825    HG3  ARG 113           HG3      ARG 113  20.051   6.171 -26.811
  826    HD2  ARG 113           HD2      ARG 113  20.533   6.412 -29.135
  827    HD3  ARG 113           HD3      ARG 113  19.044   7.355 -29.416
  828    HE   ARG 113           HE       ARG 113  20.648   8.671 -27.458
  829   HH11  ARG 113          HH11      ARG 113  20.605   8.057 -30.964
  830   HH12  ARG 113          HH12      ARG 113  21.423   9.520 -31.375
  831   HH21  ARG 113          HH21      ARG 113  21.715  10.642 -28.008
  832   HH22  ARG 113          HH22      ARG 113  22.084  11.007 -29.654
  833    H    THR 114           H        THR 114  17.651   2.361 -27.797
  834    HA   THR 114           HA       THR 114  14.846   2.220 -28.122
  835    HB   THR 114           HB       THR 114  17.237   0.356 -28.301
  836    HG1  THR 114           HG1      THR 114  17.186   1.722 -29.954
  837   HG21  THR 114          HG21      THR 114  15.501  -1.152 -27.745
  838   HG22  THR 114          HG22      THR 114  14.389  -0.414 -28.932
  839   HG23  THR 114          HG23      THR 114  15.863  -1.291 -29.467
  840    H    VAL 115           H        VAL 115  17.066   0.447 -25.841
  841    HA   VAL 115           HA       VAL 115  14.884  -0.956 -24.723
  842    HB   VAL 115           HB       VAL 115  17.784  -0.633 -23.838
  843   HG11  VAL 115          HG11      VAL 115  17.406  -2.628 -22.414
  844   HG12  VAL 115          HG12      VAL 115  16.403  -1.296 -21.855
  845   HG13  VAL 115          HG13      VAL 115  15.685  -2.620 -22.815
  846   HG21  VAL 115          HG21      VAL 115  16.222  -2.870 -25.231
  847   HG22  VAL 115          HG22      VAL 115  17.404  -1.816 -26.014
  848   HG23  VAL 115          HG23      VAL 115  17.939  -2.945 -24.764
  849    H    ARG 116           H        ARG 116  16.461   2.082 -23.719
  850    HA   ARG 116           HA       ARG 116  15.080   2.339 -21.252
  851    HB2  ARG 116           HB2      ARG 116  16.965   3.718 -21.963
  852    HB3  ARG 116           HB3      ARG 116  16.023   4.447 -23.269
  853    HG2  ARG 116           HG2      ARG 116  14.681   5.691 -21.768
  854    HG3  ARG 116           HG3      ARG 116  15.081   4.651 -20.401
  855    HD2  ARG 116           HD2      ARG 116  16.220   6.818 -20.192
  856    HD3  ARG 116           HD3      ARG 116  17.340   5.483 -20.278
  857    HE   ARG 116           HE       ARG 116  18.267   6.344 -22.137
  858   HH11  ARG 116          HH21      ARG 116  15.069   7.936 -21.881
  859   HH12  ARG 116          HH22      ARG 116  15.435   9.116 -23.082
  860   HH21  ARG 116          HH11      ARG 116  18.722   7.947 -23.707
  861   HH22  ARG 116          HH12      ARG 116  17.524   9.110 -24.145
  862    H    GLY 117           H        GLY 117  13.996   3.149 -24.594
  863    HA2  GLY 117           HA2      GLY 117  11.414   4.142 -23.874
  864    HA3  GLY 117           HA3      GLY 117  11.895   3.475 -25.440
  865    H    GLN 118           H        GLN 118  12.422   0.862 -25.058
  866    HA   GLN 118           HA       GLN 118   9.847  -0.272 -24.927
  867    HB2  GLN 118           HB2      GLN 118  12.426  -1.813 -24.490
  868    HB3  GLN 118           HB3      GLN 118  10.860  -2.441 -25.017
  869    HG2  GLN 118           HG2      GLN 118  11.175  -0.765 -27.040
  870    HG3  GLN 118           HG3      GLN 118  12.884  -0.839 -26.565
  871   HE21  GLN 118          HE22      GLN 118  13.249  -3.483 -25.801
  872   HE22  GLN 118          HE21      GLN 118  13.125  -4.449 -27.273
  873    H    VAL 119           H        VAL 119  12.407  -0.218 -22.482
  874    HA   VAL 119           HA       VAL 119  10.984  -1.927 -20.674
  875    HB   VAL 119           HB       VAL 119  13.357  -0.072 -20.232
  876   HG11  VAL 119          HG11      VAL 119  13.708  -1.528 -18.176
  877   HG12  VAL 119          HG12      VAL 119  12.379  -0.353 -18.051
  878   HG13  VAL 119          HG13      VAL 119  12.021  -2.068 -18.354
  879   HG21  VAL 119          HG21      VAL 119  13.697  -2.033 -21.777
  880   HG22  VAL 119          HG22      VAL 119  14.605  -2.214 -20.269
  881   HG23  VAL 119          HG23      VAL 119  13.079  -3.097 -20.523
  882    H    LYS 120           H        LYS 120  11.162   1.687 -20.952
  883    HA   LYS 120           HA       LYS 120   9.718   2.299 -18.601
  884    HB2  LYS 120           HB2      LYS 120  10.763   3.925 -20.309
  885    HB3  LYS 120           HB3      LYS 120   9.341   3.624 -21.335
  886    HG2  LYS 120           HG2      LYS 120   7.872   4.468 -19.494
  887    HG3  LYS 120           HG3      LYS 120   9.314   4.779 -18.504
  888    HD2  LYS 120           HD2      LYS 120  10.149   6.377 -20.199
  889    HD3  LYS 120           HD3      LYS 120   8.731   6.040 -21.219
  890    HE2  LYS 120           HE2      LYS 120   7.235   6.841 -19.390
  891    HE3  LYS 120           HE3      LYS 120   8.658   7.236 -18.410
  892    HZ1  LYS 120           HZ1      LYS 120   9.306   8.841 -20.138
  893    HZ2  LYS 120           HZ2      LYS 120   7.972   8.477 -21.023
  894    HZ3  LYS 120           HZ3      LYS 120   7.823   9.187 -19.559
  895    H    GLU 121           H        GLU 121   8.528   1.447 -21.888
  896    HA   GLU 121           HA       GLU 121   5.797   1.682 -21.255
  897    HB2  GLU 121           HB2      GLU 121   6.737   1.790 -23.484
  898    HB3  GLU 121           HB3      GLU 121   7.224   0.091 -23.413
  899    HG2  GLU 121           HG2      GLU 121   4.901  -0.639 -23.262
  900    HG3  GLU 121           HG3      GLU 121   4.338   1.034 -23.191
  901    H    ARG 122           H        ARG 122   7.919  -1.260 -21.200
  902    HA   ARG 122           HA       ARG 122   5.844  -3.068 -20.416
  903    HB2  ARG 122           HB2      ARG 122   8.838  -3.186 -19.897
  904    HB3  ARG 122           HB3      ARG 122   7.686  -4.444 -19.431
  905    HG2  ARG 122           HG2      ARG 122   6.918  -4.241 -22.006
  906    HG3  ARG 122           HG3      ARG 122   8.571  -3.628 -22.200
  907    HD2  ARG 122           HD2      ARG 122   9.413  -5.690 -21.057
  908    HD3  ARG 122           HD3      ARG 122   7.748  -6.250 -20.888
  909    HE   ARG 122           HE       ARG 122   9.355  -6.036 -23.382
  910   HH11  ARG 122          HH11      ARG 122   6.269  -7.061 -21.905
  911   HH12  ARG 122          HH12      ARG 122   5.715  -7.869 -23.325
  912   HH21  ARG 122          HH21      ARG 122   8.623  -7.166 -25.239
  913   HH22  ARG 122          HH22      ARG 122   7.089  -7.954 -25.243
  914    H    VAL 123           H        VAL 123   8.056  -1.122 -18.378
  915    HA   VAL 123           HA       VAL 123   6.974  -2.075 -15.884
  916    HB   VAL 123           HB       VAL 123   8.466   0.432 -16.564
  917   HG11  VAL 123          HG11      VAL 123   9.075   0.511 -14.168
  918   HG12  VAL 123          HG12      VAL 123   7.325   0.666 -14.375
  919   HG13  VAL 123          HG13      VAL 123   8.007  -0.879 -13.843
  920   HG21  VAL 123          HG21      VAL 123   9.744  -1.715 -17.022
  921   HG22  VAL 123          HG22      VAL 123  10.446  -0.726 -15.743
  922   HG23  VAL 123          HG23      VAL 123   9.494  -2.167 -15.327
  923    H    GLU 124           H        GLU 124   6.075   0.765 -18.000
  924    HA   GLU 124           HA       GLU 124   4.102   1.810 -16.275
  925    HB2  GLU 124           HB2      GLU 124   4.412   1.838 -19.306
  926    HB3  GLU 124           HB3      GLU 124   2.974   2.504 -18.533
  927    HG2  GLU 124           HG2      GLU 124   4.401   4.035 -17.202
  928    HG3  GLU 124           HG3      GLU 124   5.810   3.481 -18.110
  929    H    ASN 125           H        ASN 125   3.828  -0.729 -18.766
  930    HA   ASN 125           HA       ASN 125   1.025  -1.057 -18.577
  931    HB2  ASN 125           HB2      ASN 125   2.438  -1.928 -20.424
  932    HB3  ASN 125           HB3      ASN 125   3.172  -3.092 -19.315
  933   HD21  ASN 125          HD22      ASN 125   2.458  -4.721 -20.859
  934   HD22  ASN 125          HD21      ASN 125   0.797  -5.267 -20.863
  935    H    LEU 126           H        LEU 126   3.676  -2.786 -16.843
  936    HA   LEU 126           HA       LEU 126   2.105  -4.515 -15.279
  937    HB2  LEU 126           HB2      LEU 126   4.472  -4.813 -15.449
  938    HB3  LEU 126           HB3      LEU 126   4.803  -3.148 -14.976
  939    HG   LEU 126           HG       LEU 126   4.081  -3.600 -12.675
  940   HD11  LEU 126          HD11      LEU 126   3.707  -5.968 -11.960
  941   HD12  LEU 126          HD12      LEU 126   2.455  -5.423 -13.067
  942   HD13  LEU 126          HD13      LEU 126   3.758  -6.483 -13.660
  943   HD21  LEU 126          HD21      LEU 126   6.405  -3.804 -13.334
  944   HD22  LEU 126          HD22      LEU 126   6.012  -4.986 -12.074
  945   HD23  LEU 126          HD23      LEU 126   6.168  -5.503 -13.784
  946    H    ILE 127           H        ILE 127   3.206  -1.129 -14.579
  947    HA   ILE 127           HA       ILE 127   2.037  -0.943 -11.943
  948    HB   ILE 127           HB       ILE 127   2.945   1.038 -14.071
  949   HG12  ILE 127          HG12      ILE 127   4.105   0.112 -11.404
  950   HG13  ILE 127          HG13      ILE 127   4.622  -0.535 -12.935
  951   HG21  ILE 127          HG21      ILE 127   2.101   1.603 -11.193
  952   HG22  ILE 127          HG22      ILE 127   2.829   2.776 -12.327
  953   HG23  ILE 127          HG23      ILE 127   1.235   2.127 -12.659
  954   HD11  ILE 127          HD11      ILE 127   5.311   1.737 -13.661
  955   HD12  ILE 127          HD12      ILE 127   4.983   2.310 -12.000
  956   HD13  ILE 127          HD13      ILE 127   6.229   1.084 -12.274
  957    H    ALA 128           H        ALA 128   0.858   0.036 -15.236
  958    HA   ALA 128           HA       ALA 128  -1.647   0.976 -14.405
  959    HB1  ALA 128           HB1      ALA 128  -0.952  -0.412 -17.030
  960    HB2  ALA 128           HB2      ALA 128  -2.310   0.689 -16.745
  961    HB3  ALA 128           HB3      ALA 128  -0.642   1.303 -16.665
  962    H    LYS 129           H        LYS 129  -0.600  -2.429 -14.843
  963    HA   LYS 129           HA       LYS 129  -3.269  -3.493 -14.615
  964    HB2  LYS 129           HB2      LYS 129  -0.561  -4.776 -14.103
  965    HB3  LYS 129           HB3      LYS 129  -2.091  -5.608 -13.883
  966    HG2  LYS 129           HG2      LYS 129  -2.661  -5.281 -16.260
  967    HG3  LYS 129           HG3      LYS 129  -1.127  -4.440 -16.528
  968    HD2  LYS 129           HD2      LYS 129   0.115  -6.480 -15.782
  969    HD3  LYS 129           HD3      LYS 129  -1.441  -7.308 -15.520
  970    HE2  LYS 129           HE2      LYS 129  -1.964  -6.847 -17.984
  971    HE3  LYS 129           HE3      LYS 129  -0.285  -6.322 -18.165
  972    HZ1  LYS 129           HZ1      LYS 129  -0.530  -8.640 -18.775
  973    HZ2  LYS 129           HZ2      LYS 129   0.403  -8.582 -17.427
  974    HZ3  LYS 129           HZ3      LYS 129  -1.174  -9.033 -17.332
  975    H    ILE 130           H        ILE 130  -0.575  -3.192 -12.226
  976    HA   ILE 130           HA       ILE 130  -2.271  -4.199 -10.202
  977    HB   ILE 130           HB       ILE 130  -0.426  -3.912  -8.710
  978   HG12  ILE 130          HG12      ILE 130   0.918  -2.441 -10.989
  979   HG13  ILE 130          HG13      ILE 130   0.523  -1.797  -9.403
  980   HG21  ILE 130          HG21      ILE 130  -0.622  -5.843 -10.334
  981   HG22  ILE 130          HG22      ILE 130   0.562  -5.005 -11.376
  982   HG23  ILE 130          HG23      ILE 130   1.003  -5.523  -9.731
  983   HD11  ILE 130          HD11      ILE 130   2.159  -3.339  -8.366
  984   HD12  ILE 130          HD12      ILE 130   2.603  -3.919 -10.009
  985   HD13  ILE 130          HD13      ILE 130   2.884  -2.240  -9.562
  986    H    SER 131           H        SER 131  -1.339  -0.864 -10.936
  987    HA   SER 131           HA       SER 131  -2.498   0.101  -8.463
  988    HB2  SER 131           HB2      SER 131  -0.621   1.302 -10.501
  989    HB3  SER 131           HB3      SER 131  -1.285   2.179  -9.104
  990    HG   SER 131           HG       SER 131   0.800   1.138  -8.697
  Start of MODEL   20
    1    H    MET   1           H        MET   1   1.844  -0.851   1.163
    2    HA   MET   1           HA       MET   1   0.406  -0.101  -1.299
    3    HB2  MET   1           HB2      MET   1   2.028   1.424  -1.881
    4    HB3  MET   1           HB3      MET   1   1.901   1.692  -0.164
    5    HG2  MET   1           HG2      MET   1   3.950   0.000  -0.058
    6    HG3  MET   1           HG3      MET   1   4.136   0.466  -1.758
    7    HE1  MET   1           HE1      MET   1   5.269   4.145  -1.609
    8    HE2  MET   1           HE2      MET   1   5.425   2.621  -2.495
    9    HE3  MET   1           HE3      MET   1   3.810   3.342  -2.233
   10    H    LYS   2           H        LYS   2   1.415  -0.923  -3.341
   11    HA   LYS   2           HA       LYS   2   2.091  -3.765  -3.034
   12    HB2  LYS   2           HB2      LYS   2   2.100  -2.024  -5.533
   13    HB3  LYS   2           HB3      LYS   2   2.186  -3.759  -5.515
   14    HG2  LYS   2           HG2      LYS   2  -0.045  -4.016  -4.756
   15    HG3  LYS   2           HG3      LYS   2  -0.209  -2.342  -4.260
   16    HD2  LYS   2           HD2      LYS   2   0.446  -2.838  -7.147
   17    HD3  LYS   2           HD3      LYS   2  -1.164  -3.303  -6.625
   18    HE2  LYS   2           HE2      LYS   2  -0.137  -0.539  -5.890
   19    HE3  LYS   2           HE3      LYS   2  -0.633  -0.840  -7.553
   20    HZ1  LYS   2           HZ1      LYS   2  -2.812  -1.428  -6.837
   21    HZ2  LYS   2           HZ2      LYS   2  -2.425  -1.379  -5.233
   22    HZ3  LYS   2           HZ3      LYS   2  -2.456  -0.004  -6.115
   23    H    LYS   3           H        LYS   3   4.175  -4.635  -2.897
   24    HA   LYS   3           HA       LYS   3   6.428  -2.783  -3.581
   25    HB2  LYS   3           HB2      LYS   3   6.825  -5.353  -2.081
   26    HB3  LYS   3           HB3      LYS   3   7.888  -3.938  -2.232
   27    HG2  LYS   3           HG2      LYS   3   6.262  -2.651  -0.799
   28    HG3  LYS   3           HG3      LYS   3   5.297  -4.128  -0.624
   29    HD2  LYS   3           HD2      LYS   3   7.260  -5.297   0.367
   30    HD3  LYS   3           HD3      LYS   3   8.212  -3.798   0.226
   31    HE2  LYS   3           HE2      LYS   3   6.583  -2.618   1.669
   32    HE3  LYS   3           HE3      LYS   3   5.596  -4.090   1.775
   33    HZ1  LYS   3           HZ1      LYS   3   7.551  -5.198   2.819
   34    HZ2  LYS   3           HZ2      LYS   3   8.346  -3.763   2.861
   35    HZ3  LYS   3           HZ3      LYS   3   6.967  -3.956   3.727
   36    H    VAL   4           H        VAL   4   7.802  -3.318  -5.107
   37    HA   VAL   4           HA       VAL   4   7.016  -5.506  -6.917
   38    HB   VAL   4           HB       VAL   4   8.421  -2.949  -7.625
   39   HG11  VAL   4          HG11      VAL   4   8.482  -4.643  -9.398
   40   HG12  VAL   4          HG12      VAL   4   6.730  -4.892  -9.253
   41   HG13  VAL   4          HG13      VAL   4   7.359  -3.364  -9.874
   42   HG21  VAL   4          HG21      VAL   4   6.079  -2.397  -6.605
   43   HG22  VAL   4          HG22      VAL   4   6.536  -1.760  -8.174
   44   HG23  VAL   4          HG23      VAL   4   5.436  -3.149  -8.072
   45    H    MET   5           H        MET   5   8.676  -6.543  -8.000
   46    HA   MET   5           HA       MET   5  11.528  -5.986  -7.417
   47    HB2  MET   5           HB2      MET   5  10.288  -8.780  -7.453
   48    HB3  MET   5           HB3      MET   5  12.002  -8.406  -7.421
   49    HG2  MET   5           HG2      MET   5  11.167  -7.085  -5.174
   50    HG3  MET   5           HG3      MET   5  10.040  -8.425  -5.209
   51    HE1  MET   5           HE1      MET   5  11.120  -8.972  -2.864
   52    HE2  MET   5           HE2      MET   5  12.808  -9.472  -2.595
   53    HE3  MET   5           HE3      MET   5  12.430  -7.774  -2.987
   54    H    PHE   6           H        PHE   6  12.889  -6.477  -9.236
   55    HA   PHE   6           HA       PHE   6  11.629  -7.451 -11.710
   56    HB2  PHE   6           HB2      PHE   6  13.352  -4.932 -11.450
   57    HB3  PHE   6           HB3      PHE   6  12.878  -5.698 -12.957
   58    HD1  PHE   6           HD1      PHE   6  11.702  -3.701 -10.088
   59    HD2  PHE   6           HD2      PHE   6  10.657  -5.441 -13.892
   60    HE1  PHE   6           HE1      PHE   6   9.655  -2.306 -10.178
   61    HE2  PHE   6           HE2      PHE   6   8.642  -4.008 -14.005
   62    HZ   PHE   6           HZ       PHE   6   8.133  -2.440 -12.136
   63    H    VAL   7           H        VAL   7  12.809  -9.313 -11.931
   64    HA   VAL   7           HA       VAL   7  15.701  -9.165 -11.168
   65    HB   VAL   7           HB       VAL   7  13.521 -11.041 -10.231
   66   HG11  VAL   7          HG11      VAL   7  16.536 -11.270  -9.724
   67   HG12  VAL   7          HG12      VAL   7  15.286 -12.226  -8.909
   68   HG13  VAL   7          HG13      VAL   7  15.546 -12.437 -10.638
   69   HG21  VAL   7          HG21      VAL   7  14.303 -10.317  -7.967
   70   HG22  VAL   7          HG22      VAL   7  15.312  -9.099  -8.776
   71   HG23  VAL   7          HG23      VAL   7  13.550  -9.060  -8.932
   72    H    CYS   8           H        CYS   8  17.052 -10.609 -12.102
   73    HA   CYS   8           HA       CYS   8  16.218 -12.325 -14.344
   74    HB2  CYS   8           HB2      CYS   8  16.926 -10.000 -15.198
   75    HB3  CYS   8           HB3      CYS   8  18.493 -10.275 -14.476
   76    H    LYS   9           H        LYS   9  18.648 -13.492 -14.884
   77    HA   LYS   9           HA       LYS   9  19.338 -15.024 -12.627
   78    HB2  LYS   9           HB2      LYS   9  19.804 -15.684 -14.930
   79    HB3  LYS   9           HB3      LYS   9  20.960 -14.362 -15.125
   80    HG2  LYS   9           HG2      LYS   9  22.481 -15.402 -13.497
   81    HG3  LYS   9           HG3      LYS   9  21.288 -16.676 -13.156
   82    HD2  LYS   9           HD2      LYS   9  21.500 -17.566 -15.414
   83    HD3  LYS   9           HD3      LYS   9  22.428 -16.159 -15.934
   84    HE2  LYS   9           HE2      LYS   9  23.899 -18.058 -15.672
   85    HE3  LYS   9           HE3      LYS   9  24.328 -16.784 -14.526
   86    HZ1  LYS   9           HZ1      LYS   9  23.408 -18.029 -12.750
   87    HZ2  LYS   9           HZ2      LYS   9  22.690 -19.142 -13.758
   88    HZ3  LYS   9           HZ3      LYS   9  24.317 -19.073 -13.604
   89    H    ARG  10           H        ARG  10  20.829 -11.970 -13.765
   90    HA   ARG  10           HA       ARG  10  22.073 -11.652 -11.080
   91    HB2  ARG  10           HB2      ARG  10  23.446 -10.851 -13.703
   92    HB3  ARG  10           HB3      ARG  10  24.091 -10.711 -12.062
   93    HG2  ARG  10           HG2      ARG  10  23.974 -13.272 -11.946
   94    HG3  ARG  10           HG3      ARG  10  23.588 -13.246 -13.663
   95    HD2  ARG  10           HD2      ARG  10  25.914 -13.674 -13.510
   96    HD3  ARG  10           HD3      ARG  10  25.723 -12.037 -14.112
   97    HE   ARG  10           HE       ARG  10  26.503 -11.142 -12.061
   98   HH11  ARG  10          HH11      ARG  10  26.562 -14.716 -11.821
   99   HH12  ARG  10          HH12      ARG  10  28.102 -14.740 -11.025
  100   HH21  ARG  10          HH21      ARG  10  28.284 -11.203 -10.707
  101   HH22  ARG  10          HH22      ARG  10  29.003 -12.701 -10.211
  102    H    ASN  11           H        ASN  11  22.213  -9.389 -10.436
  103    HA   ASN  11           HA       ASN  11  20.237  -7.592 -11.442
  104    HB2  ASN  11           HB2      ASN  11  20.897  -6.282  -9.705
  105    HB3  ASN  11           HB3      ASN  11  21.904  -7.647  -9.230
  106   HD21  ASN  11          HD22      ASN  11  21.960  -4.407 -10.699
  107   HD22  ASN  11          HD21      ASN  11  23.700  -4.302 -10.726
  108    H    SER  12           H        SER  12  23.490  -8.279 -12.617
  109    HA   SER  12           HA       SER  12  24.465  -5.989 -13.544
  110    HB2  SER  12           HB2      SER  12  24.655  -8.384 -15.343
  111    HB3  SER  12           HB3      SER  12  25.928  -7.319 -14.730
  112    HG   SER  12           HG       SER  12  26.025  -9.343 -13.714
  113    H    SER  13           H        SER  13  22.065  -7.975 -15.355
  114    HA   SER  13           HA       SER  13  22.055  -5.893 -17.490
  115    HB2  SER  13           HB2      SER  13  21.514  -8.873 -17.728
  116    HB3  SER  13           HB3      SER  13  21.702  -7.707 -19.052
  117    HG   SER  13           HG       SER  13  23.643  -8.912 -18.661
  118    H    ARG  14           H        ARG  14  20.112  -5.236 -18.295
  119    HA   ARG  14           HA       ARG  14  18.072  -4.478 -18.312
  120    HB2  ARG  14           HB2      ARG  14  16.160  -6.034 -18.412
  121    HB3  ARG  14           HB3      ARG  14  17.446  -6.270 -19.574
  122    HG2  ARG  14           HG2      ARG  14  17.298  -7.956 -17.070
  123    HG3  ARG  14           HG3      ARG  14  16.328  -8.336 -18.473
  124    HD2  ARG  14           HD2      ARG  14  19.256  -7.934 -18.998
  125    HD3  ARG  14           HD3      ARG  14  18.780  -9.374 -18.100
  126    HE   ARG  14           HE       ARG  14  17.306  -8.791 -20.594
  127   HH11  ARG  14          HH11      ARG  14  19.998 -10.722 -19.193
  128   HH12  ARG  14          HH12      ARG  14  20.047 -11.796 -20.534
  129   HH21  ARG  14          HH21      ARG  14  17.365 -10.223 -22.254
  130   HH22  ARG  14          HH22      ARG  14  18.499 -11.545 -22.314
  131    H    SER  15           H        SER  15  18.305  -6.419 -15.255
  132    HA   SER  15           HA       SER  15  16.431  -4.817 -13.870
  133    HB2  SER  15           HB2      SER  15  18.962  -5.951 -12.664
  134    HB3  SER  15           HB3      SER  15  17.364  -5.769 -11.916
  135    HG   SER  15           HG       SER  15  17.880  -7.966 -12.655
  136    H    GLN  16           H        GLN  16  19.762  -4.118 -14.926
  137    HA   GLN  16           HA       GLN  16  20.120  -1.668 -13.545
  138    HB2  GLN  16           HB2      GLN  16  21.895  -1.223 -14.958
  139    HB3  GLN  16           HB3      GLN  16  21.934  -2.936 -14.553
  140    HG2  GLN  16           HG2      GLN  16  21.075  -3.477 -16.826
  141    HG3  GLN  16           HG3      GLN  16  20.943  -1.747 -17.184
  142   HE21  GLN  16          HE22      GLN  16  22.519  -3.511 -18.809
  143   HE22  GLN  16          HE21      GLN  16  24.176  -2.988 -18.661
  144    H    MET  17           H        MET  17  17.504  -2.167 -15.393
  145    HA   MET  17           HA       MET  17  17.274   0.700 -15.987
  146    HB2  MET  17           HB2      MET  17  17.828  -0.895 -18.043
  147    HB3  MET  17           HB3      MET  17  16.118  -1.272 -17.944
  148    HG2  MET  17           HG2      MET  17  17.472   1.378 -18.520
  149    HG3  MET  17           HG3      MET  17  16.343   0.489 -19.515
  150    HE1  MET  17           HE1      MET  17  15.318   3.609 -16.265
  151    HE2  MET  17           HE2      MET  17  16.806   2.658 -16.170
  152    HE3  MET  17           HE3      MET  17  16.592   3.811 -17.491
  153    H    ALA  18           H        ALA  18  15.417  -2.413 -15.832
  154    HA   ALA  18           HA       ALA  18  12.905  -1.256 -15.757
  155    HB1  ALA  18           HB1      ALA  18  13.734  -3.839 -14.386
  156    HB2  ALA  18           HB2      ALA  18  12.099  -3.405 -14.941
  157    HB3  ALA  18           HB3      ALA  18  13.393  -3.665 -16.127
  158    H    GLU  19           H        GLU  19  14.745  -2.107 -12.770
  159    HA   GLU  19           HA       GLU  19  12.668  -1.187 -11.017
  160    HB2  GLU  19           HB2      GLU  19  14.238  -1.476  -9.280
  161    HB3  GLU  19           HB3      GLU  19  14.563  -2.691 -10.492
  162    HG2  GLU  19           HG2      GLU  19  16.678  -2.047  -9.919
  163    HG3  GLU  19           HG3      GLU  19  16.413  -1.076 -11.378
  164    H    GLY  20           H        GLY  20  15.144   0.457 -12.824
  165    HA2  GLY  20           HA2      GLY  20  15.311   3.022 -11.698
  166    HA3  GLY  20           HA3      GLY  20  15.485   2.586 -13.402
  167    H    PHE  21           H        PHE  21  13.320   2.139 -14.617
  168    HA   PHE  21           HA       PHE  21  11.707   4.480 -14.327
  169    HB2  PHE  21           HB2      PHE  21  11.277   1.906 -15.854
  170    HB3  PHE  21           HB3      PHE  21   9.978   3.080 -15.734
  171    HD1  PHE  21           HD1      PHE  21  10.890   5.700 -16.005
  172    HD2  PHE  21           HD2      PHE  21  12.498   2.109 -17.771
  173    HE1  PHE  21           HE1      PHE  21  11.931   7.044 -17.840
  174    HE2  PHE  21           HE2      PHE  21  13.648   3.440 -19.492
  175    HZ   PHE  21           HZ       PHE  21  13.285   5.923 -19.598
  176    H    ALA  22           H        ALA  22  11.241   1.277 -12.829
  177    HA   ALA  22           HA       ALA  22   8.507   1.798 -12.246
  178    HB1  ALA  22           HB1      ALA  22   9.623  -0.420 -12.234
  179    HB2  ALA  22           HB2      ALA  22  10.478   0.021 -10.744
  180    HB3  ALA  22           HB3      ALA  22   8.699  -0.119 -10.730
  181    H    LYS  23           H        LYS  23  11.475   2.650 -10.358
  182    HA   LYS  23           HA       LYS  23   9.895   3.658  -8.177
  183    HB2  LYS  23           HB2      LYS  23  11.865   4.515  -7.260
  184    HB3  LYS  23           HB3      LYS  23  12.377   3.087  -8.124
  185    HG2  LYS  23           HG2      LYS  23  12.662   5.358  -9.911
  186    HG3  LYS  23           HG3      LYS  23  13.277   5.840  -8.347
  187    HD2  LYS  23           HD2      LYS  23  14.146   3.385  -9.906
  188    HD3  LYS  23           HD3      LYS  23  14.980   4.941  -9.931
  189    HE2  LYS  23           HE2      LYS  23  15.285   4.692  -7.411
  190    HE3  LYS  23           HE3      LYS  23  14.548   3.069  -7.543
  191    HZ1  LYS  23           HZ1      LYS  23  16.327   2.279  -8.754
  192    HZ2  LYS  23           HZ2      LYS  23  16.988   3.774  -9.072
  193    HZ3  LYS  23           HZ3      LYS  23  17.036   3.124  -7.557
  194    H    THR  24           H        THR  24  10.692   5.026 -11.330
  195    HA   THR  24           HA       THR  24  10.065   7.740 -10.699
  196    HB   THR  24           HB       THR  24  10.808   6.116 -13.095
  197    HG1  THR  24           HG1      THR  24  12.418   6.863 -11.690
  198   HG21  THR  24          HG21      THR  24   9.221   7.571 -14.081
  199   HG22  THR  24          HG22      THR  24   9.855   8.983 -13.190
  200   HG23  THR  24          HG23      THR  24  10.841   8.181 -14.446
  201    H    LEU  25           H        LEU  25   8.412   5.220 -12.606
  202    HA   LEU  25           HA       LEU  25   6.036   6.834 -13.034
  203    HB2  LEU  25           HB2      LEU  25   6.684   3.884 -13.408
  204    HB3  LEU  25           HB3      LEU  25   5.188   4.623 -13.996
  205    HG   LEU  25           HG       LEU  25   7.979   5.507 -14.849
  206   HD11  LEU  25          HD11      LEU  25   7.569   4.154 -16.906
  207   HD12  LEU  25          HD12      LEU  25   7.722   3.183 -15.431
  208   HD13  LEU  25          HD13      LEU  25   6.117   3.471 -16.120
  209   HD21  LEU  25          HD21      LEU  25   6.236   7.195 -15.287
  210   HD22  LEU  25          HD22      LEU  25   6.789   6.475 -16.800
  211   HD23  LEU  25          HD23      LEU  25   5.230   5.974 -16.099
  212    H    GLY  26           H        GLY  26   6.974   4.203 -10.823
  213    HA2  GLY  26           HA2      GLY  26   4.352   3.910  -9.630
  214    HA3  GLY  26           HA3      GLY  26   5.884   3.117  -9.196
  215    H    ALA  27           H        ALA  27   6.512   6.422  -9.303
  216    HA   ALA  27           HA       ALA  27   7.148   6.654  -6.610
  217    HB1  ALA  27           HB1      ALA  27   6.387   8.871  -8.577
  218    HB2  ALA  27           HB2      ALA  27   7.270   9.094  -7.055
  219    HB3  ALA  27           HB3      ALA  27   8.006   8.178  -8.379
  220    H    GLY  28           H        GLY  28   5.996   6.996  -4.790
  221    HA2  GLY  28           HA2      GLY  28   4.323   7.554  -3.353
  222    HA3  GLY  28           HA3      GLY  28   3.539   8.478  -4.643
  223    H    LYS  29           H        LYS  29   4.017   5.267  -5.715
  224    HA   LYS  29           HA       LYS  29   1.242   4.484  -4.875
  225    HB2  LYS  29           HB2      LYS  29   2.593   3.777  -7.517
  226    HB3  LYS  29           HB3      LYS  29   0.913   3.484  -7.058
  227    HG2  LYS  29           HG2      LYS  29   0.442   5.896  -7.143
  228    HG3  LYS  29           HG3      LYS  29   2.147   6.238  -7.461
  229    HD2  LYS  29           HD2      LYS  29   1.960   4.794  -9.577
  230    HD3  LYS  29           HD3      LYS  29   0.221   4.752  -9.276
  231    HE2  LYS  29           HE2      LYS  29   0.551   6.492 -10.840
  232    HE3  LYS  29           HE3      LYS  29   0.207   7.282  -9.298
  233    HZ1  LYS  29           HZ1      LYS  29   2.608   7.722  -9.069
  234    HZ2  LYS  29           HZ2      LYS  29   2.932   6.945 -10.494
  235    HZ3  LYS  29           HZ3      LYS  29   2.056   8.327 -10.479
  236    H    ILE  30           H        ILE  30   4.441   3.215  -5.947
  237    HA   ILE  30           HA       ILE  30   3.916   0.765  -4.370
  238    HB   ILE  30           HB       ILE  30   4.468  -0.659  -6.273
  239   HG12  ILE  30          HG12      ILE  30   4.549   1.910  -7.905
  240   HG13  ILE  30          HG13      ILE  30   5.901   0.820  -7.588
  241   HG21  ILE  30          HG21      ILE  30   2.229   1.215  -7.164
  242   HG22  ILE  30          HG22      ILE  30   2.354  -0.537  -7.405
  243   HG23  ILE  30          HG23      ILE  30   2.069   0.120  -5.779
  244   HD11  ILE  30          HD11      ILE  30   4.527  -0.972  -8.827
  245   HD12  ILE  30          HD12      ILE  30   3.506   0.354  -9.415
  246   HD13  ILE  30          HD13      ILE  30   5.246   0.335  -9.778
  247    H    ALA  31           H        ALA  31   5.788  -0.420  -3.864
  248    HA   ALA  31           HA       ALA  31   8.262   1.249  -3.695
  249    HB1  ALA  31           HB1      ALA  31   7.439  -1.210  -2.082
  250    HB2  ALA  31           HB2      ALA  31   8.894  -0.242  -1.838
  251    HB3  ALA  31           HB3      ALA  31   7.290   0.476  -1.531
  252    H    VAL  32           H        VAL  32  10.339   0.023  -4.077
  253    HA   VAL  32           HA       VAL  32  10.072  -2.338  -5.888
  254    HB   VAL  32           HB       VAL  32  11.653   0.184  -6.564
  255   HG11  VAL  32          HG11      VAL  32  10.974  -2.348  -8.143
  256   HG12  VAL  32          HG12      VAL  32  11.816  -0.912  -8.801
  257   HG13  VAL  32          HG13      VAL  32  12.573  -1.862  -7.523
  258   HG21  VAL  32          HG21      VAL  32   9.327   0.826  -6.792
  259   HG22  VAL  32          HG22      VAL  32  10.023   0.590  -8.387
  260   HG23  VAL  32          HG23      VAL  32   8.953  -0.657  -7.699
  261    H    THR  33           H        THR  33  11.550  -3.815  -5.286
  262    HA   THR  33           HA       THR  33  14.187  -2.964  -4.300
  263    HB   THR  33           HB       THR  33  12.497  -5.208  -3.161
  264    HG1  THR  33           HG1      THR  33  12.107  -3.976  -1.398
  265   HG21  THR  33          HG21      THR  33  14.240  -5.273  -1.355
  266   HG22  THR  33          HG22      THR  33  14.927  -5.598  -2.943
  267   HG23  THR  33          HG23      THR  33  15.146  -3.997  -2.199
  268    H    SER  34           H        SER  34  15.422  -3.745  -6.041
  269    HA   SER  34           HA       SER  34  14.500  -6.327  -7.225
  270    HB2  SER  34           HB2      SER  34  15.862  -3.954  -8.505
  271    HB3  SER  34           HB3      SER  34  15.645  -5.526  -9.288
  272    HG   SER  34           HG       SER  34  13.606  -3.804  -8.234
  273    H    SER  35           H        SER  35  15.469  -7.486  -5.628
  274    HA   SER  35           HA       SER  35  18.271  -7.593  -5.115
  275    HB2  SER  35           HB2      SER  35  16.136  -9.716  -4.697
  276    HB3  SER  35           HB3      SER  35  17.622  -9.472  -3.747
  277    HG   SER  35           HG       SER  35  15.814  -8.564  -2.659
  278    H    GLY  36           H        GLY  36  19.013 -10.326  -5.346
  279    HA2  GLY  36           HA2      GLY  36  18.479 -11.435  -7.920
  280    HA3  GLY  36           HA3      GLY  36  20.055 -10.620  -7.876
  281    H    LEU  37           H        LEU  37  20.707 -13.009  -8.159
  282    HA   LEU  37           HA       LEU  37  20.864 -14.407  -5.578
  283    HB2  LEU  37           HB2      LEU  37  20.222 -15.275  -8.393
  284    HB3  LEU  37           HB3      LEU  37  20.839 -16.474  -7.247
  285    HG   LEU  37           HG       LEU  37  18.533 -14.685  -6.540
  286   HD11  LEU  37          HD11      LEU  37  16.930 -16.405  -7.311
  287   HD12  LEU  37          HD12      LEU  37  17.898 -15.778  -8.655
  288   HD13  LEU  37          HD13      LEU  37  18.281 -17.371  -7.968
  289   HD21  LEU  37          HD21      LEU  37  19.513 -15.984  -4.682
  290   HD22  LEU  37          HD22      LEU  37  17.923 -16.671  -5.068
  291   HD23  LEU  37          HD23      LEU  37  19.388 -17.480  -5.630
  292    H    GLU  38           H        GLU  38  22.679 -12.862  -7.827
  293    HA   GLU  38           HA       GLU  38  25.134 -14.231  -7.056
  294    HB2  GLU  38           HB2      GLU  38  24.775 -13.739 -10.007
  295    HB3  GLU  38           HB3      GLU  38  25.994 -14.701  -9.182
  296    HG2  GLU  38           HG2      GLU  38  24.300 -16.420  -8.696
  297    HG3  GLU  38           HG3      GLU  38  23.047 -15.414  -9.443
  298    H    SER  39           H        SER  39  24.203 -11.956  -9.589
  299    HA   SER  39           HA       SER  39  24.490  -9.782 -10.004
  300    HB2  SER  39           HB2      SER  39  24.182  -9.702  -6.998
  301    HB3  SER  39           HB3      SER  39  23.989  -8.298  -8.071
  302    HG   SER  39           HG       SER  39  22.013  -9.581  -7.631
  303    H    SER  40           H        SER  40  25.527  -7.814  -9.923
  304    HA   SER  40           HA       SER  40  28.495  -8.059  -9.443
  305    HB2  SER  40           HB2      SER  40  26.934  -7.766 -12.017
  306    HB3  SER  40           HB3      SER  40  28.710  -7.632 -11.939
  307    HG   SER  40           HG       SER  40  28.353  -9.677 -12.558
  308    H    ARG  41           H        ARG  41  25.808  -6.026  -9.408
  309    HA   ARG  41           HA       ARG  41  25.395  -3.873  -9.468
  310    HB2  ARG  41           HB2      ARG  41  28.074  -3.746  -8.535
  311    HB3  ARG  41           HB3      ARG  41  27.945  -2.532  -9.816
  312    HG2  ARG  41           HG2      ARG  41  25.949  -1.551  -8.685
  313    HG3  ARG  41           HG3      ARG  41  26.064  -2.817  -7.441
  314    HD2  ARG  41           HD2      ARG  41  28.481  -1.938  -7.050
  315    HD3  ARG  41           HD3      ARG  41  27.953  -0.513  -7.972
  316    HE   ARG  41           HE       ARG  41  26.220  -1.390  -5.744
  317   HH11  ARG  41          HH21      ARG  41  28.923   0.744  -6.658
  318   HH12  ARG  41          HH22      ARG  41  28.813   1.733  -5.246
  319   HH21  ARG  41          HH11      ARG  41  26.127  -0.088  -3.808
  320   HH22  ARG  41          HH12      ARG  41  27.170   1.266  -3.623
  321    H    VAL  42           H        VAL  42  25.767  -1.804 -10.977
  322    HA   VAL  42           HA       VAL  42  24.960  -2.982 -13.529
  323    HB   VAL  42           HB       VAL  42  23.884  -0.929 -13.912
  324   HG11  VAL  42          HG11      VAL  42  22.369  -0.738 -12.051
  325   HG12  VAL  42          HG12      VAL  42  22.832  -2.433 -12.234
  326   HG13  VAL  42          HG13      VAL  42  23.546  -1.436 -10.927
  327   HG21  VAL  42          HG21      VAL  42  24.036   1.027 -12.372
  328   HG22  VAL  42          HG22      VAL  42  25.445   0.258 -11.588
  329   HG23  VAL  42          HG23      VAL  42  25.492   0.708 -13.322
  330    H    HIS  43           H        HIS  43  25.432  -1.545 -15.505
  331    HA   HIS  43           HA       HIS  43  28.383  -1.382 -15.728
  332    HB2  HIS  43           HB2      HIS  43  26.142  -1.427 -17.778
  333    HB3  HIS  43           HB3      HIS  43  27.838  -1.218 -18.196
  334    HD1  HIS  43           HD1      HIS  43  29.423  -3.404 -17.997
  335    HD2  HIS  43           HD2      HIS  43  25.444  -3.902 -16.720
  336    HE1  HIS  43           HE1      HIS  43  29.117  -5.884 -17.551
  337    HA   PRO  44           HA       PRO  44  28.636   2.855 -15.136
  338    HB2  PRO  44           HB2      PRO  44  30.528   3.777 -16.953
  339    HB3  PRO  44           HB3      PRO  44  30.896   2.779 -15.510
  340    HG2  PRO  44           HG2      PRO  44  30.451   1.819 -18.373
  341    HG3  PRO  44           HG3      PRO  44  31.815   1.424 -17.274
  342    HD2  PRO  44           HD2      PRO  44  29.751  -0.265 -17.512
  343    HD3  PRO  44           HD3      PRO  44  30.401   0.088 -15.884
  344    H    THR  45           H        THR  45  28.528   2.329 -18.731
  345    HA   THR  45           HA       THR  45  27.360   4.814 -19.327
  346    HB   THR  45           HB       THR  45  27.083   2.293 -20.894
  347    HG1  THR  45           HG1      THR  45  29.152   2.718 -21.702
  348   HG21  THR  45          HG21      THR  45  27.277   3.805 -22.870
  349   HG22  THR  45          HG22      THR  45  25.881   4.215 -21.873
  350   HG23  THR  45          HG23      THR  45  27.355   5.206 -21.765
  351    H    ALA  46           H        ALA  46  25.860   1.848 -18.069
  352    HA   ALA  46           HA       ALA  46  23.199   2.444 -18.874
  353    HB1  ALA  46           HB1      ALA  46  22.485   0.922 -17.044
  354    HB2  ALA  46           HB2      ALA  46  23.922   0.237 -17.819
  355    HB3  ALA  46           HB3      ALA  46  24.054   1.066 -16.242
  356    H    ILE  47           H        ILE  47  24.978   3.270 -15.881
  357    HA   ILE  47           HA       ILE  47  22.773   4.653 -14.730
  358    HB   ILE  47           HB       ILE  47  25.778   5.235 -14.425
  359   HG12  ILE  47          HG12      ILE  47  24.237   3.554 -12.442
  360   HG13  ILE  47          HG13      ILE  47  25.008   2.833 -13.862
  361   HG21  ILE  47          HG21      ILE  47  24.419   7.073 -13.469
  362   HG22  ILE  47          HG22      ILE  47  23.469   5.911 -12.522
  363   HG23  ILE  47          HG23      ILE  47  25.182   6.176 -12.159
  364   HD11  ILE  47          HD11      ILE  47  26.484   2.653 -11.934
  365   HD12  ILE  47          HD12      ILE  47  27.200   3.726 -13.148
  366   HD13  ILE  47          HD13      ILE  47  26.451   4.397 -11.683
  367    H    ALA  48           H        ALA  48  25.418   5.815 -16.860
  368    HA   ALA  48           HA       ALA  48  24.736   8.544 -16.737
  369    HB1  ALA  48           HB1      ALA  48  25.977   8.763 -18.863
  370    HB2  ALA  48           HB2      ALA  48  26.847   7.698 -17.743
  371    HB3  ALA  48           HB3      ALA  48  25.924   7.003 -19.100
  372    H    MET  49           H        MET  49  23.512   5.983 -18.937
  373    HA   MET  49           HA       MET  49  21.820   7.746 -20.483
  374    HB2  MET  49           HB2      MET  49  21.898   4.727 -20.046
  375    HB3  MET  49           HB3      MET  49  20.861   5.523 -21.231
  376    HG2  MET  49           HG2      MET  49  23.892   5.824 -21.167
  377    HG3  MET  49           HG3      MET  49  23.072   4.637 -22.126
  378    HE1  MET  49           HE1      MET  49  24.476   8.454 -23.549
  379    HE2  MET  49           HE2      MET  49  24.380   8.124 -21.797
  380    HE3  MET  49           HE3      MET  49  25.167   6.954 -22.878
  381    H    MET  50           H        MET  50  21.354   5.760 -17.579
  382    HA   MET  50           HA       MET  50  18.480   6.127 -17.595
  383    HB2  MET  50           HB2      MET  50  20.229   5.236 -15.290
  384    HB3  MET  50           HB3      MET  50  18.481   5.088 -15.427
  385    HG2  MET  50           HG2      MET  50  20.598   3.363 -16.498
  386    HG3  MET  50           HG3      MET  50  18.976   2.956 -16.074
  387    HE1  MET  50           HE1      MET  50  19.565   1.073 -18.271
  388    HE2  MET  50           HE2      MET  50  19.777   1.677 -19.948
  389    HE3  MET  50           HE3      MET  50  21.034   1.960 -18.725
  390    H    GLU  51           H        GLU  51  21.306   7.851 -16.260
  391    HA   GLU  51           HA       GLU  51  19.726   9.826 -14.946
  392    HB2  GLU  51           HB2      GLU  51  22.649   9.639 -15.722
  393    HB3  GLU  51           HB3      GLU  51  21.980  11.115 -15.032
  394    HG2  GLU  51           HG2      GLU  51  21.747   8.401 -13.691
  395    HG3  GLU  51           HG3      GLU  51  23.096   9.494 -13.444
  396    H    GLU  52           H        GLU  52  20.490   9.248 -18.317
  397    HA   GLU  52           HA       GLU  52  20.081  11.982 -19.093
  398    HB2  GLU  52           HB2      GLU  52  19.653   9.489 -20.781
  399    HB3  GLU  52           HB3      GLU  52  19.408  11.117 -21.341
  400    HG2  GLU  52           HG2      GLU  52  22.070  10.116 -20.289
  401    HG3  GLU  52           HG3      GLU  52  21.606  10.126 -21.978
  402    H    VAL  53           H        VAL  53  17.961   9.233 -18.354
  403    HA   VAL  53           HA       VAL  53  15.611  11.034 -18.635
  404    HB   VAL  53           HB       VAL  53  14.277   9.033 -18.095
  405   HG11  VAL  53          HG11      VAL  53  14.572   9.845 -20.378
  406   HG12  VAL  53          HG12      VAL  53  16.067   8.914 -20.546
  407   HG13  VAL  53          HG13      VAL  53  14.489   8.083 -20.358
  408   HG21  VAL  53          HG21      VAL  53  15.887   7.578 -16.992
  409   HG22  VAL  53          HG22      VAL  53  15.210   6.795 -18.409
  410   HG23  VAL  53          HG23      VAL  53  16.851   7.480 -18.485
  411    H    GLY  54           H        GLY  54  17.908  11.067 -16.478
  412    HA2  GLY  54           HA2      GLY  54  18.000  12.040 -14.445
  413    HA3  GLY  54           HA3      GLY  54  16.250  12.288 -14.496
  414    H    ILE  55           H        ILE  55  17.604   9.039 -14.792
  415    HA   ILE  55           HA       ILE  55  16.377   8.297 -12.195
  416    HB   ILE  55           HB       ILE  55  16.772   6.788 -14.720
  417   HG12  ILE  55          HG12      ILE  55  14.407   7.973 -13.253
  418   HG13  ILE  55          HG13      ILE  55  14.898   8.199 -14.933
  419   HG21  ILE  55          HG21      ILE  55  15.630   5.667 -12.142
  420   HG22  ILE  55          HG22      ILE  55  15.792   4.836 -13.720
  421   HG23  ILE  55          HG23      ILE  55  17.226   5.250 -12.824
  422   HD11  ILE  55          HD11      ILE  55  12.912   6.863 -14.900
  423   HD12  ILE  55          HD12      ILE  55  14.247   5.781 -15.354
  424   HD13  ILE  55          HD13      ILE  55  13.602   5.775 -13.684
  425    H    ASP  56           H        ASP  56  17.542   7.351 -10.638
  426    HA   ASP  56           HA       ASP  56  20.404   6.721 -11.133
  427    HB2  ASP  56           HB2      ASP  56  20.055   8.135  -9.221
  428    HB3  ASP  56           HB3      ASP  56  18.788   7.073  -8.596
  429    H    ILE  57           H        ILE  57  21.147   4.655 -10.924
  430    HA   ILE  57           HA       ILE  57  19.274   2.490 -10.133
  431    HB   ILE  57           HB       ILE  57  20.688   1.009 -11.733
  432   HG12  ILE  57          HG12      ILE  57  20.831   3.615 -13.334
  433   HG13  ILE  57          HG13      ILE  57  22.184   2.981 -12.414
  434   HG21  ILE  57          HG21      ILE  57  19.033   1.318 -13.560
  435   HG22  ILE  57          HG22      ILE  57  18.268   1.255 -11.975
  436   HG23  ILE  57          HG23      ILE  57  18.476   2.827 -12.791
  437   HD11  ILE  57          HD11      ILE  57  21.829   0.788 -13.788
  438   HD12  ILE  57          HD12      ILE  57  20.962   1.878 -14.893
  439   HD13  ILE  57          HD13      ILE  57  22.652   2.177 -14.505
  440    H    SER  58           H        SER  58  22.729   2.961 -10.832
  441    HA   SER  58           HA       SER  58  24.561   2.019  -9.799
  442    HB2  SER  58           HB2      SER  58  25.296   3.627  -8.173
  443    HB3  SER  58           HB3      SER  58  24.452   4.423  -9.515
  444    HG   SER  58           HG       SER  58  22.856   5.006  -8.232
  445    H    GLY  59           H        GLY  59  23.239   2.678  -6.652
  446    HA2  GLY  59           HA2      GLY  59  24.214   0.166  -5.614
  447    HA3  GLY  59           HA3      GLY  59  23.448   1.482  -4.717
  448    H    GLN  60           H        GLN  60  22.351  -0.648  -7.407
  449    HA   GLN  60           HA       GLN  60  19.779  -1.231  -6.270
  450    HB2  GLN  60           HB2      GLN  60  21.144  -3.252  -8.035
  451    HB3  GLN  60           HB3      GLN  60  19.460  -2.704  -8.025
  452    HG2  GLN  60           HG2      GLN  60  20.289  -0.506  -9.001
  453    HG3  GLN  60           HG3      GLN  60  21.842  -1.321  -9.283
  454   HE21  GLN  60          HE22      GLN  60  18.677  -0.806 -10.410
  455   HE22  GLN  60          HE21      GLN  60  18.612  -2.069 -11.646
  456    H    THR  61           H        THR  61  23.021  -2.494  -5.814
  457    HA   THR  61           HA       THR  61  22.489  -5.139  -5.211
  458    HB   THR  61           HB       THR  61  24.904  -4.743  -4.040
  459    HG1  THR  61           HG1      THR  61  24.943  -2.526  -4.081
  460   HG21  THR  61          HG21      THR  61  24.522  -6.014  -6.097
  461   HG22  THR  61          HG22      THR  61  24.348  -4.509  -7.027
  462   HG23  THR  61          HG23      THR  61  25.914  -4.936  -6.278
  463    H    SER  62           H        SER  62  21.932  -6.203  -3.403
  464    HA   SER  62           HA       SER  62  21.506  -4.865  -0.821
  465    HB2  SER  62           HB2      SER  62  19.375  -5.968  -2.722
  466    HB3  SER  62           HB3      SER  62  19.079  -5.559  -1.016
  467    HG   SER  62           HG       SER  62  19.665  -3.861  -3.205
  468    H    ASP  63           H        ASP  63  20.059  -6.880   0.331
  469    HA   ASP  63           HA       ASP  63  21.734  -9.185   0.561
  470    HB2  ASP  63           HB2      ASP  63  18.889  -8.478   1.266
  471    HB3  ASP  63           HB3      ASP  63  19.402 -10.158   1.363
  472    HA   PRO  64           HA       PRO  64  20.407 -11.574  -3.018
  473    HB2  PRO  64           HB2      PRO  64  20.336 -14.149  -2.057
  474    HB3  PRO  64           HB3      PRO  64  21.860 -13.269  -2.386
  475    HG2  PRO  64           HG2      PRO  64  20.434 -13.580   0.282
  476    HG3  PRO  64           HG3      PRO  64  22.168 -13.838  -0.084
  477    HD2  PRO  64           HD2      PRO  64  21.263 -11.509   0.975
  478    HD3  PRO  64           HD3      PRO  64  22.581 -11.514  -0.233
  479    H    ILE  65           H        ILE  65  18.431 -12.536  -3.819
  480    HA   ILE  65           HA       ILE  65  16.101 -11.569  -2.555
  481    HB   ILE  65           HB       ILE  65  16.528 -12.130  -4.990
  482   HG12  ILE  65          HG12      ILE  65  13.894 -12.925  -3.737
  483   HG13  ILE  65          HG13      ILE  65  14.389 -11.304  -4.205
  484   HG21  ILE  65          HG21      ILE  65  15.512 -14.912  -4.329
  485   HG22  ILE  65          HG22      ILE  65  16.071 -14.284  -5.893
  486   HG23  ILE  65          HG23      ILE  65  17.226 -14.514  -4.573
  487   HD11  ILE  65          HD11      ILE  65  12.913 -12.100  -5.911
  488   HD12  ILE  65          HD12      ILE  65  14.544 -12.160  -6.605
  489   HD13  ILE  65          HD13      ILE  65  13.756 -13.652  -6.036
  490    H    GLU  66           H        GLU  66  17.812 -14.594  -2.041
  491    HA   GLU  66           HA       GLU  66  15.690 -16.191  -1.166
  492    HB2  GLU  66           HB2      GLU  66  17.723 -17.080  -2.082
  493    HB3  GLU  66           HB3      GLU  66  18.730 -16.060  -1.034
  494    HG2  GLU  66           HG2      GLU  66  18.206 -17.269   0.874
  495    HG3  GLU  66           HG3      GLU  66  16.969 -18.239   0.038
  496    H    ASN  67           H        ASN  67  17.658 -13.695   0.306
  497    HA   ASN  67           HA       ASN  67  17.374 -14.339   3.070
  498    HB2  ASN  67           HB2      ASN  67  18.978 -12.663   1.927
  499    HB3  ASN  67           HB3      ASN  67  17.604 -11.562   1.845
  500   HD21  ASN  67          HD22      ASN  67  19.894 -13.228   3.971
  501   HD22  ASN  67          HD21      ASN  67  19.546 -12.296   5.409
  502    H    PHE  68           H        PHE  68  15.239 -12.825   0.721
  503    HA   PHE  68           HA       PHE  68  13.549 -11.486   2.719
  504    HB2  PHE  68           HB2      PHE  68  13.533 -11.633  -0.332
  505    HB3  PHE  68           HB3      PHE  68  12.283 -10.836   0.592
  506    HD1  PHE  68           HD1      PHE  68  12.689  -8.870   1.906
  507    HD2  PHE  68           HD2      PHE  68  15.781 -10.641  -0.493
  508    HE1  PHE  68           HE1      PHE  68  13.997  -6.726   2.013
  509    HE2  PHE  68           HE2      PHE  68  17.086  -8.510  -0.412
  510    HZ   PHE  68           HZ       PHE  68  16.184  -6.557   0.846
  511    H    ASN  69           H        ASN  69  11.137 -11.708   2.400
  512    HA   ASN  69           HA       ASN  69  10.398 -14.463   1.830
  513    HB2  ASN  69           HB2      ASN  69   9.859 -13.605   4.197
  514    HB3  ASN  69           HB3      ASN  69   8.710 -12.509   3.379
  515   HD21  ASN  69          HD22      ASN  69   7.823 -14.386   5.330
  516   HD22  ASN  69          HD21      ASN  69   6.840 -15.571   4.505
  517    H    ALA  70           H        ALA  70   8.737 -14.717   0.224
  518    HA   ALA  70           HA       ALA  70   8.619 -12.398  -1.483
  519    HB1  ALA  70           HB1      ALA  70   7.618 -13.889  -3.136
  520    HB2  ALA  70           HB2      ALA  70   9.032 -14.707  -2.451
  521    HB3  ALA  70           HB3      ALA  70   7.397 -15.160  -1.918
  522    H    ASP  71           H        ASP  71   6.758 -14.092   0.907
  523    HA   ASP  71           HA       ASP  71   4.228 -13.246   0.115
  524    HB2  ASP  71           HB2      ASP  71   4.624 -15.069   1.726
  525    HB3  ASP  71           HB3      ASP  71   5.281 -13.909   2.887
  526    H    ASP  72           H        ASP  72   6.837 -11.431   1.581
  527    HA   ASP  72           HA       ASP  72   5.208  -9.419   2.850
  528    HB2  ASP  72           HB2      ASP  72   7.548  -9.912   3.546
  529    HB3  ASP  72           HB3      ASP  72   8.101  -9.320   1.968
  530    H    TYR  73           H        TYR  73   6.453 -10.065  -0.326
  531    HA   TYR  73           HA       TYR  73   6.084  -7.371  -1.347
  532    HB2  TYR  73           HB2      TYR  73   7.275  -9.920  -2.477
  533    HB3  TYR  73           HB3      TYR  73   6.874  -8.559  -3.515
  534    HD1  TYR  73           HD1      TYR  73   8.812  -9.413  -0.395
  535    HD2  TYR  73           HD2      TYR  73   8.347  -6.722  -3.740
  536    HE1  TYR  73           HE1      TYR  73  10.672  -8.046   0.461
  537    HE2  TYR  73           HE2      TYR  73  10.222  -5.347  -2.890
  538    HH   TYR  73           HH       TYR  73  11.903  -6.095   0.215
  539    H    ASP  74           H        ASP  74   4.897  -7.199  -3.502
  540    HA   ASP  74           HA       ASP  74   2.334  -8.766  -3.368
  541    HB2  ASP  74           HB2      ASP  74   1.967  -6.429  -2.791
  542    HB3  ASP  74           HB3      ASP  74   2.805  -5.918  -4.257
  543    H    VAL  75           H        VAL  75   4.877  -7.299  -5.462
  544    HA   VAL  75           HA       VAL  75   3.931  -9.015  -7.670
  545    HB   VAL  75           HB       VAL  75   2.810  -7.031  -8.016
  546   HG11  VAL  75          HG11      VAL  75   5.092  -5.284  -7.315
  547   HG12  VAL  75          HG12      VAL  75   3.542  -4.769  -7.988
  548   HG13  VAL  75          HG13      VAL  75   3.599  -5.500  -6.393
  549   HG21  VAL  75          HG21      VAL  75   5.355  -6.610  -9.602
  550   HG22  VAL  75          HG22      VAL  75   4.117  -7.803 -10.001
  551   HG23  VAL  75          HG23      VAL  75   3.707  -6.076 -10.018
  552    H    VAL  76           H        VAL  76   5.458  -9.820  -8.985
  553    HA   VAL  76           HA       VAL  76   8.260  -8.986  -8.592
  554    HB   VAL  76           HB       VAL  76   7.081 -11.736  -8.169
  555   HG11  VAL  76          HG11      VAL  76   9.206 -11.984  -9.391
  556   HG12  VAL  76          HG12      VAL  76  10.033 -10.893  -8.257
  557   HG13  VAL  76          HG13      VAL  76   9.446 -12.476  -7.718
  558   HG21  VAL  76          HG21      VAL  76   7.944 -11.683  -5.911
  559   HG22  VAL  76          HG22      VAL  76   8.745 -10.120  -6.163
  560   HG23  VAL  76          HG23      VAL  76   6.978 -10.249  -6.125
  561    H    ILE  77           H        ILE  77   9.270  -8.966 -10.491
  562    HA   ILE  77           HA       ILE  77   7.844 -10.010 -12.892
  563    HB   ILE  77           HB       ILE  77   9.718  -7.645 -12.531
  564   HG12  ILE  77          HG12      ILE  77   7.679  -7.121 -11.327
  565   HG13  ILE  77          HG13      ILE  77   7.803  -6.155 -12.767
  566   HG21  ILE  77          HG21      ILE  77   8.859  -6.958 -14.808
  567   HG22  ILE  77          HG22      ILE  77   9.913  -8.377 -14.766
  568   HG23  ILE  77          HG23      ILE  77   8.152  -8.587 -14.943
  569   HD11  ILE  77          HD11      ILE  77   6.101  -7.461 -13.895
  570   HD12  ILE  77          HD12      ILE  77   6.067  -8.666 -12.576
  571   HD13  ILE  77          HD13      ILE  77   5.511  -7.024 -12.281
  572    H    SER  78           H        SER  78   8.915 -11.529 -14.022
  573    HA   SER  78           HA       SER  78  11.825 -11.856 -13.509
  574    HB2  SER  78           HB2      SER  78   9.851 -13.694 -14.927
  575    HB3  SER  78           HB3      SER  78  11.574 -14.015 -14.599
  576    HG   SER  78           HG       SER  78   9.529 -13.576 -12.653
  577    H    LEU  79           H        LEU  79  12.955 -10.556 -14.778
  578    HA   LEU  79           HA       LEU  79  11.880  -9.417 -17.248
  579    HB2  LEU  79           HB2      LEU  79  14.651  -9.380 -15.961
  580    HB3  LEU  79           HB3      LEU  79  14.219  -8.440 -17.383
  581    HG   LEU  79           HG       LEU  79  12.849  -8.081 -14.686
  582   HD11  LEU  79          HD11      LEU  79  14.359  -6.076 -14.510
  583   HD12  LEU  79          HD12      LEU  79  15.286  -7.577 -14.564
  584   HD13  LEU  79          HD13      LEU  79  15.150  -6.557 -16.015
  585   HD21  LEU  79          HD21      LEU  79  12.926  -6.343 -17.204
  586   HD22  LEU  79          HD22      LEU  79  11.519  -7.261 -16.619
  587   HD23  LEU  79          HD23      LEU  79  12.151  -5.917 -15.669
  588    H    CYS  80           H        CYS  80  13.401 -12.372 -16.496
  589    HA   CYS  80           HA       CYS  80  14.303 -12.826 -19.271
  590    HB2  CYS  80           HB2      CYS  80  15.928 -13.404 -16.742
  591    HB3  CYS  80           HB3      CYS  80  16.445 -13.694 -18.397
  592    H    GLY  81           H        GLY  81  12.403 -14.209 -19.411
  593    HA2  GLY  81           HA2      GLY  81  11.506 -16.338 -19.467
  594    HA3  GLY  81           HA3      GLY  81  12.990 -16.952 -18.734
  595    H    SER  82           H        SER  82  11.737 -18.375 -17.379
  596    HA   SER  82           HA       SER  82  11.020 -17.268 -14.828
  597    HB2  SER  82           HB2      SER  82   8.656 -18.359 -14.928
  598    HB3  SER  82           HB3      SER  82   8.911 -16.759 -15.615
  599    HG   SER  82           HG       SER  82   8.705 -19.211 -17.070
  600    H    GLY  83           H        GLY  83  10.757 -18.974 -13.212
  601    HA2  GLY  83           HA2      GLY  83  11.341 -20.971 -12.254
  602    HA3  GLY  83           HA3      GLY  83  10.835 -21.751 -13.761
  603    H    VAL  84           H        VAL  84  13.427 -19.325 -13.559
  604    HA   VAL  84           HA       VAL  84  15.099 -20.980 -15.167
  605    HB   VAL  84           HB       VAL  84  16.697 -19.090 -15.017
  606   HG11  VAL  84          HG11      VAL  84  14.811 -19.129 -16.653
  607   HG12  VAL  84          HG12      VAL  84  13.862 -18.124 -15.531
  608   HG13  VAL  84          HG13      VAL  84  15.367 -17.505 -16.229
  609   HG21  VAL  84          HG21      VAL  84  14.706 -17.746 -13.130
  610   HG22  VAL  84          HG22      VAL  84  16.370 -18.261 -12.739
  611   HG23  VAL  84          HG23      VAL  84  16.093 -16.989 -13.923
  612    H    ASN  85           H        ASN  85  15.100 -20.344 -11.726
  613    HA   ASN  85           HA       ASN  85  16.405 -22.626 -10.857
  614    HB2  ASN  85           HB2      ASN  85  18.558 -21.826 -11.758
  615    HB3  ASN  85           HB3      ASN  85  18.321 -20.233 -11.042
  616   HD21  ASN  85          HD22      ASN  85  18.809 -23.718 -10.218
  617   HD22  ASN  85          HD21      ASN  85  19.504 -23.404  -8.644
  618    H    LEU  86           H        LEU  86  16.271 -19.140 -10.433
  619    HA   LEU  86           HA       LEU  86  15.968 -18.466  -7.907
  620    HB2  LEU  86           HB2      LEU  86  15.819 -16.955  -9.706
  621    HB3  LEU  86           HB3      LEU  86  14.403 -17.723 -10.391
  622    HG   LEU  86           HG       LEU  86  14.010 -16.638  -7.640
  623   HD11  LEU  86          HD11      LEU  86  14.454 -14.821 -10.069
  624   HD12  LEU  86          HD12      LEU  86  13.775 -14.292  -8.510
  625   HD13  LEU  86          HD13      LEU  86  15.447 -14.864  -8.598
  626   HD21  LEU  86          HD21      LEU  86  12.504 -16.456 -10.316
  627   HD22  LEU  86          HD22      LEU  86  12.103 -17.522  -8.954
  628   HD23  LEU  86          HD23      LEU  86  11.918 -15.768  -8.796
  629    HA   PRO  87           HA       PRO  87  13.015 -21.020  -6.195
  630    HB2  PRO  87           HB2      PRO  87  12.368 -18.951  -4.107
  631    HB3  PRO  87           HB3      PRO  87  12.789 -20.676  -3.890
  632    HG2  PRO  87           HG2      PRO  87  14.664 -18.760  -3.512
  633    HG3  PRO  87           HG3      PRO  87  15.082 -20.264  -4.392
  634    HD2  PRO  87           HD2      PRO  87  14.365 -17.554  -5.544
  635    HD3  PRO  87           HD3      PRO  87  15.709 -18.652  -5.959
  636    HA   PRO  88           HA       PRO  88   9.133 -20.296  -7.904
  637    HB2  PRO  88           HB2      PRO  88   7.847 -22.066  -5.825
  638    HB3  PRO  88           HB3      PRO  88   7.733 -22.164  -7.609
  639    HG2  PRO  88           HG2      PRO  88   9.359 -23.863  -6.262
  640    HG3  PRO  88           HG3      PRO  88   9.947 -23.080  -7.767
  641    HD2  PRO  88           HD2      PRO  88  10.479 -22.256  -4.899
  642    HD3  PRO  88           HD3      PRO  88  11.625 -22.455  -6.250
  643    H    GLU  89           H        GLU  89   8.968 -19.755  -4.343
  644    HA   GLU  89           HA       GLU  89   6.371 -18.655  -4.412
  645    HB2  GLU  89           HB2      GLU  89   6.923 -17.631  -2.250
  646    HB3  GLU  89           HB3      GLU  89   7.344 -19.329  -2.315
  647    HG2  GLU  89           HG2      GLU  89   9.538 -17.373  -2.983
  648    HG3  GLU  89           HG3      GLU  89   8.961 -17.396  -1.326
  649    H    TRP  90           H        TRP  90   9.194 -17.380  -5.786
  650    HA   TRP  90           HA       TRP  90   8.437 -14.562  -5.578
  651    HB2  TRP  90           HB2      TRP  90  10.592 -16.113  -7.022
  652    HB3  TRP  90           HB3      TRP  90  10.429 -14.363  -7.159
  653    HD1  TRP  90           HD1      TRP  90  11.995 -16.932  -4.985
  654    HE1  TRP  90           HE1      TRP  90  12.744 -15.975  -2.721
  655    HE3  TRP  90           HE3      TRP  90   9.894 -12.340  -5.372
  656    HZ2  TRP  90           HZ2      TRP  90  12.248 -13.551  -1.175
  657    HZ3  TRP  90           HZ3      TRP  90   9.912 -10.745  -3.476
  658    HH2  TRP  90           HH2      TRP  90  11.092 -11.329  -1.385
  659    H    VAL  91           H        VAL  91   8.383 -17.137  -8.043
  660    HA   VAL  91           HA       VAL  91   7.140 -15.369  -9.968
  661    HB   VAL  91           HB       VAL  91   7.166 -17.410 -11.422
  662   HG11  VAL  91          HG11      VAL  91   8.909 -15.661 -11.480
  663   HG12  VAL  91          HG12      VAL  91   9.845 -16.534 -10.253
  664   HG13  VAL  91          HG13      VAL  91   9.571 -17.258 -11.853
  665   HG21  VAL  91          HG21      VAL  91   8.938 -18.640  -9.289
  666   HG22  VAL  91          HG22      VAL  91   7.261 -19.149  -9.615
  667   HG23  VAL  91          HG23      VAL  91   8.504 -19.324 -10.863
  668    H    THR  92           H        THR  92   5.876 -17.163  -7.326
  669    HA   THR  92           HA       THR  92   3.255 -17.201  -8.668
  670    HB   THR  92           HB       THR  92   2.634 -18.656  -6.787
  671    HG1  THR  92           HG1      THR  92   4.044 -19.141  -5.195
  672   HG21  THR  92          HG21      THR  92   4.042 -20.577  -7.322
  673   HG22  THR  92          HG22      THR  92   3.682 -19.654  -8.801
  674   HG23  THR  92          HG23      THR  92   5.275 -19.518  -8.026
  675    H    GLN  93           H        GLN  93   4.607 -14.639  -7.531
  676    HA   GLN  93           HA       GLN  93   2.837 -13.983  -5.395
  677    HB2  GLN  93           HB2      GLN  93   4.694 -12.276  -7.108
  678    HB3  GLN  93           HB3      GLN  93   3.645 -11.553  -5.905
  679    HG2  GLN  93           HG2      GLN  93   5.819 -13.608  -5.381
  680    HG3  GLN  93           HG3      GLN  93   5.783 -11.930  -4.849
  681   HE21  GLN  93          HE22      GLN  93   5.477 -14.972  -3.643
  682   HE22  GLN  93          HE21      GLN  93   4.322 -14.675  -2.351
  683    H    GLU  94           H        GLU  94   1.486 -11.746  -5.666
  684    HA   GLU  94           HA       GLU  94  -0.909 -12.799  -6.667
  685    HB2  GLU  94           HB2      GLU  94  -0.189  -9.897  -6.073
  686    HB3  GLU  94           HB3      GLU  94  -1.826 -10.497  -6.319
  687    HG2  GLU  94           HG2      GLU  94   0.044 -11.379  -4.075
  688    HG3  GLU  94           HG3      GLU  94  -1.285 -10.236  -3.926
  689    H    ILE  95           H        ILE  95   1.442 -10.773  -8.281
  690    HA   ILE  95           HA       ILE  95   0.153 -11.360 -10.857
  691    HB   ILE  95           HB       ILE  95  -0.380  -9.110 -10.830
  692   HG12  ILE  95          HG12      ILE  95   2.458  -9.097 -11.970
  693   HG13  ILE  95          HG13      ILE  95   1.055  -9.794 -12.786
  694   HG21  ILE  95          HG21      ILE  95   2.165  -8.666  -9.291
  695   HG22  ILE  95          HG22      ILE  95   1.238  -7.312  -9.973
  696   HG23  ILE  95          HG23      ILE  95   0.500  -8.352  -8.766
  697   HD11  ILE  95          HD11      ILE  95   1.439  -6.851 -12.101
  698   HD12  ILE  95          HD12      ILE  95   1.580  -7.588 -13.690
  699   HD13  ILE  95          HD13      ILE  95  -0.002  -7.548 -12.875
  700    H    PHE  96           H        PHE  96   1.512 -12.458 -12.009
  701    HA   PHE  96           HA       PHE  96   4.432 -12.442 -11.456
  702    HB2  PHE  96           HB2      PHE  96   3.801 -14.602 -11.016
  703    HB3  PHE  96           HB3      PHE  96   2.495 -14.616 -12.186
  704    HD1  PHE  96           HD2      PHE  96   6.273 -14.292 -12.171
  705    HD2  PHE  96           HD1      PHE  96   2.744 -15.811 -14.144
  706    HE1  PHE  96           HE2      PHE  96   7.695 -15.381 -13.896
  707    HE2  PHE  96           HE1      PHE  96   4.170 -16.911 -15.844
  708    HZ   PHE  96           HZ       PHE  96   6.627 -16.696 -15.731
  709    H    GLU  97           H        GLU  97   5.674 -11.887 -13.321
  710    HA   GLU  97           HA       GLU  97   4.337 -11.860 -15.934
  711    HB2  GLU  97           HB2      GLU  97   5.954  -9.536 -14.851
  712    HB3  GLU  97           HB3      GLU  97   5.558  -9.741 -16.547
  713    HG2  GLU  97           HG2      GLU  97   3.437  -9.425 -14.381
  714    HG3  GLU  97           HG3      GLU  97   4.169  -8.087 -15.240
  715    H    ASP  98           H        ASP  98   5.755 -12.349 -17.563
  716    HA   ASP  98           HA       ASP  98   8.561 -13.055 -16.921
  717    HB2  ASP  98           HB2      ASP  98   7.977 -15.214 -17.035
  718    HB3  ASP  98           HB3      ASP  98   6.376 -14.875 -17.676
  719    H    TRP  99           H        TRP  99   9.864 -12.100 -18.349
  720    HA   TRP  99           HA       TRP  99   8.860 -11.313 -21.018
  721    HB2  TRP  99           HB2      TRP  99  10.558  -9.488 -19.308
  722    HB3  TRP  99           HB3      TRP  99   9.761  -9.124 -20.828
  723    HD1  TRP  99           HD1      TRP  99   9.562  -8.334 -17.377
  724    HE1  TRP  99           HE1      TRP  99   7.388  -7.123 -16.801
  725    HE3  TRP  99           HE3      TRP  99   6.781  -9.714 -21.447
  726    HZ2  TRP  99           HZ2      TRP  99   4.791  -6.720 -17.992
  727    HZ3  TRP  99           HZ3      TRP  99   4.445  -8.928 -21.678
  728    HH2  TRP  99           HH2      TRP  99   3.446  -7.412 -19.978
  729    H    GLN 100           H        GLN 100  10.938 -10.414 -22.251
  730    HA   GLN 100           HA       GLN 100  13.463 -11.569 -21.300
  731    HB2  GLN 100           HB2      GLN 100  12.344 -13.279 -22.819
  732    HB3  GLN 100           HB3      GLN 100  12.424 -12.105 -24.124
  733    HG2  GLN 100           HG2      GLN 100  14.285 -13.589 -24.370
  734    HG3  GLN 100           HG3      GLN 100  14.954 -12.063 -23.816
  735   HE21  GLN 100          HE22      GLN 100  14.068 -15.393 -22.784
  736   HE22  GLN 100          HE21      GLN 100  15.138 -15.437 -21.406
  737    H    LEU 101           H        LEU 101  13.549  -9.254 -20.753
  738    HA   LEU 101           HA       LEU 101  13.469  -7.223 -22.863
  739    HB2  LEU 101           HB2      LEU 101  14.338  -7.193 -19.971
  740    HB3  LEU 101           HB3      LEU 101  14.818  -5.899 -21.053
  741    HG   LEU 101           HG       LEU 101  12.901  -5.256 -19.831
  742   HD11  LEU 101          HD11      LEU 101  11.428  -4.418 -21.556
  743   HD12  LEU 101          HD12      LEU 101  13.082  -4.386 -22.172
  744   HD13  LEU 101          HD13      LEU 101  11.958  -5.657 -22.699
  745   HD21  LEU 101          HD21      LEU 101  11.946  -7.524 -19.450
  746   HD22  LEU 101          HD22      LEU 101  10.756  -6.294 -19.905
  747   HD23  LEU 101          HD23      LEU 101  11.305  -7.474 -21.119
  748    H    GLU 102           H        GLU 102  15.230  -6.296 -23.938
  749    HA   GLU 102           HA       GLU 102  17.682  -7.820 -24.091
  750    HB2  GLU 102           HB2      GLU 102  16.647  -5.321 -25.459
  751    HB3  GLU 102           HB3      GLU 102  18.265  -5.966 -25.761
  752    HG2  GLU 102           HG2      GLU 102  17.406  -8.029 -26.633
  753    HG3  GLU 102           HG3      GLU 102  15.767  -7.673 -26.090
  754    H    ASP 103           H        ASP 103  19.837  -6.384 -23.987
  755    HA   ASP 103           HA       ASP 103  19.718  -4.407 -21.854
  756    HB2  ASP 103           HB2      ASP 103  20.072  -6.498 -20.661
  757    HB3  ASP 103           HB3      ASP 103  21.449  -6.893 -21.709
  758    HA   PRO 104           HA       PRO 104  22.626  -2.783 -24.789
  759    HB2  PRO 104           HB2      PRO 104  23.178  -0.407 -23.761
  760    HB3  PRO 104           HB3      PRO 104  21.507  -0.860 -24.201
  761    HG2  PRO 104           HG2      PRO 104  22.778  -1.038 -21.439
  762    HG3  PRO 104           HG3      PRO 104  21.262  -0.180 -21.889
  763    HD2  PRO 104           HD2      PRO 104  21.224  -2.710 -20.946
  764    HD3  PRO 104           HD3      PRO 104  20.123  -2.205 -22.255
  765    H    ASP 105           H        ASP 105  23.913  -4.137 -21.899
  766    HA   ASP 105           HA       ASP 105  26.410  -2.904 -21.641
  767    HB2  ASP 105           HB2      ASP 105  25.810  -4.529 -20.026
  768    HB3  ASP 105           HB3      ASP 105  25.564  -5.782 -21.259
  769    H    GLY 106           H        GLY 106  28.119  -2.704 -22.972
  770    HA2  GLY 106           HA2      GLY 106  29.716  -3.144 -24.534
  771    HA3  GLY 106           HA3      GLY 106  29.105  -4.800 -24.649
  772    H    GLN 107           H        GLN 107  26.533  -2.641 -25.253
  773    HA   GLN 107           HA       GLN 107  26.854  -2.973 -28.193
  774    HB2  GLN 107           HB2      GLN 107  24.259  -2.352 -26.779
  775    HB3  GLN 107           HB3      GLN 107  24.548  -2.942 -28.417
  776    HG2  GLN 107           HG2      GLN 107  25.599  -5.028 -27.002
  777    HG3  GLN 107           HG3      GLN 107  24.437  -4.400 -25.817
  778   HE21  GLN 107          HE22      GLN 107  22.572  -5.643 -25.852
  779   HE22  GLN 107          HE21      GLN 107  21.877  -6.317 -27.311
  780    H    SER 108           H        SER 108  25.859  -1.173 -29.498
  781    HA   SER 108           HA       SER 108  27.078   1.303 -28.813
  782    HB2  SER 108           HB2      SER 108  25.112   0.638 -31.032
  783    HB3  SER 108           HB3      SER 108  26.233   2.017 -30.993
  784    HG   SER 108           HG       SER 108  27.079   0.266 -32.228
  785    H    LEU 109           H        LEU 109  25.876   3.447 -28.986
  786    HA   LEU 109           HA       LEU 109  24.100   3.731 -26.810
  787    HB2  LEU 109           HB2      LEU 109  24.701   5.608 -29.128
  788    HB3  LEU 109           HB3      LEU 109  23.733   6.058 -27.728
  789    HG   LEU 109           HG       LEU 109  26.664   5.229 -27.644
  790   HD11  LEU 109          HD11      LEU 109  27.079   7.583 -27.112
  791   HD12  LEU 109          HD12      LEU 109  26.256   7.445 -28.672
  792   HD13  LEU 109          HD13      LEU 109  25.342   7.947 -27.234
  793   HD21  LEU 109          HD21      LEU 109  24.793   6.139 -25.407
  794   HD22  LEU 109          HD22      LEU 109  25.651   4.583 -25.522
  795   HD23  LEU 109          HD23      LEU 109  26.564   6.068 -25.271
  796    H    GLU 110           H        GLU 110  23.296   3.137 -30.199
  797    HA   GLU 110           HA       GLU 110  20.567   3.811 -30.119
  798    HB2  GLU 110           HB2      GLU 110  20.304   1.910 -31.797
  799    HB3  GLU 110           HB3      GLU 110  21.415   3.223 -32.218
  800    HG2  GLU 110           HG2      GLU 110  23.334   1.813 -31.636
  801    HG3  GLU 110           HG3      GLU 110  22.251   0.506 -31.137
  802    H    VAL 111           H        VAL 111  22.215   0.998 -28.717
  803    HA   VAL 111           HA       VAL 111  19.729  -0.385 -28.211
  804    HB   VAL 111           HB       VAL 111  22.438  -1.004 -27.078
  805   HG11  VAL 111          HG11      VAL 111  21.650  -3.285 -26.890
  806   HG12  VAL 111          HG12      VAL 111  20.505  -2.239 -26.048
  807   HG13  VAL 111          HG13      VAL 111  20.103  -2.867 -27.660
  808   HG21  VAL 111          HG21      VAL 111  22.419  -2.695 -29.114
  809   HG22  VAL 111          HG22      VAL 111  21.202  -1.602 -29.800
  810   HG23  VAL 111          HG23      VAL 111  22.832  -1.004 -29.438
  811    H    PHE 112           H        PHE 112  22.047   1.515 -26.179
  812    HA   PHE 112           HA       PHE 112  20.572   1.420 -23.702
  813    HB2  PHE 112           HB2      PHE 112  22.292   3.607 -24.983
  814    HB3  PHE 112           HB3      PHE 112  21.577   3.727 -23.393
  815    HD1  PHE 112           HD1      PHE 112  22.310   2.256 -21.511
  816    HD2  PHE 112           HD2      PHE 112  24.290   2.171 -25.353
  817    HE1  PHE 112           HE1      PHE 112  24.231   1.030 -20.521
  818    HE2  PHE 112           HE2      PHE 112  26.198   0.986 -24.339
  819    HZ   PHE 112           HZ       PHE 112  26.168   0.382 -21.931
  820    H    ARG 113           H        ARG 113  20.207   3.585 -26.593
  821    HA   ARG 113           HA       ARG 113  18.028   5.121 -25.466
  822    HB2  ARG 113           HB2      ARG 113  18.947   4.588 -28.322
  823    HB3  ARG 113           HB3      ARG 113  17.660   5.726 -27.925
  824    HG2  ARG 113           HG2      ARG 113  19.117   7.188 -26.758
  825    HG3  ARG 113           HG3      ARG 113  20.407   5.978 -26.635
  826    HD2  ARG 113           HD2      ARG 113  20.767   6.047 -29.053
  827    HD3  ARG 113           HD3      ARG 113  19.462   7.255 -29.231
  828    HE   ARG 113           HE       ARG 113  21.304   8.251 -27.333
  829   HH11  ARG 113          HH11      ARG 113  21.236   7.537 -30.820
  830   HH12  ARG 113          HH12      ARG 113  22.430   8.717 -31.225
  831   HH21  ARG 113          HH21      ARG 113  22.860   9.855 -27.879
  832   HH22  ARG 113          HH22      ARG 113  23.360  10.069 -29.516
  833    H    THR 114           H        THR 114  18.039   2.177 -27.561
  834    HA   THR 114           HA       THR 114  15.236   1.986 -27.863
  835    HB   THR 114           HB       THR 114  17.660   0.188 -28.056
  836    HG1  THR 114           HG1      THR 114  17.526   1.516 -29.734
  837   HG21  THR 114          HG21      THR 114  16.032  -1.401 -27.459
  838   HG22  THR 114          HG22      THR 114  14.843  -0.726 -28.611
  839   HG23  THR 114          HG23      THR 114  16.347  -1.525 -29.186
  840    H    VAL 115           H        VAL 115  17.478   0.399 -25.479
  841    HA   VAL 115           HA       VAL 115  15.338  -1.122 -24.425
  842    HB   VAL 115           HB       VAL 115  18.170  -0.656 -23.448
  843   HG11  VAL 115          HG11      VAL 115  16.828  -1.344 -21.474
  844   HG12  VAL 115          HG12      VAL 115  16.100  -2.671 -22.417
  845   HG13  VAL 115          HG13      VAL 115  17.829  -2.687 -22.020
  846   HG21  VAL 115          HG21      VAL 115  17.883  -1.892 -25.610
  847   HG22  VAL 115          HG22      VAL 115  18.487  -2.955 -24.340
  848   HG23  VAL 115          HG23      VAL 115  16.773  -3.011 -24.814
  849    H    ARG 116           H        ARG 116  16.538   2.099 -23.456
  850    HA   ARG 116           HA       ARG 116  14.970   2.164 -21.058
  851    HB2  ARG 116           HB2      ARG 116  15.712   4.448 -22.955
  852    HB3  ARG 116           HB3      ARG 116  14.879   4.660 -21.406
  853    HG2  ARG 116           HG2      ARG 116  16.805   3.408 -20.306
  854    HG3  ARG 116           HG3      ARG 116  17.670   3.537 -21.817
  855    HD2  ARG 116           HD2      ARG 116  16.853   5.681 -19.873
  856    HD3  ARG 116           HD3      ARG 116  18.467   5.332 -20.463
  857    HE   ARG 116           HE       ARG 116  16.488   7.115 -21.574
  858   HH11  ARG 116          HH11      ARG 116  19.119   5.073 -22.772
  859   HH12  ARG 116          HH12      ARG 116  19.807   6.322 -23.773
  860   HH21  ARG 116          HH21      ARG 116  17.190   8.639 -23.125
  861   HH22  ARG 116          HH22      ARG 116  18.572   8.322 -24.091
  862    H    GLY 117           H        GLY 117  14.062   2.892 -24.482
  863    HA2  GLY 117           HA2      GLY 117  11.356   3.586 -23.978
  864    HA3  GLY 117           HA3      GLY 117  12.012   2.937 -25.492
  865    H    GLN 118           H        GLN 118  12.743   0.388 -24.983
  866    HA   GLN 118           HA       GLN 118  10.312  -1.057 -24.922
  867    HB2  GLN 118           HB2      GLN 118  13.040  -2.192 -24.261
  868    HB3  GLN 118           HB3      GLN 118  11.595  -3.077 -24.774
  869    HG2  GLN 118           HG2      GLN 118  11.704  -1.564 -26.911
  870    HG3  GLN 118           HG3      GLN 118  13.384  -1.274 -26.405
  871   HE21  GLN 118          HE22      GLN 118  14.122  -3.818 -25.384
  872   HE22  GLN 118          HE21      GLN 118  14.282  -4.831 -26.831
  873    H    VAL 119           H        VAL 119  12.683  -0.551 -22.331
  874    HA   VAL 119           HA       VAL 119  11.296  -2.217 -20.478
  875    HB   VAL 119           HB       VAL 119  13.367  -0.025 -20.122
  876   HG11  VAL 119          HG11      VAL 119  12.220  -1.887 -18.001
  877   HG12  VAL 119          HG12      VAL 119  13.682  -0.853 -17.833
  878   HG13  VAL 119          HG13      VAL 119  12.084  -0.120 -18.029
  879   HG21  VAL 119          HG21      VAL 119  13.996  -2.242 -21.239
  880   HG22  VAL 119          HG22      VAL 119  14.887  -1.879 -19.767
  881   HG23  VAL 119          HG23      VAL 119  13.552  -3.053 -19.729
  882    H    LYS 120           H        LYS 120  11.275   1.382 -20.995
  883    HA   LYS 120           HA       LYS 120   9.637   2.085 -18.841
  884    HB2  LYS 120           HB2      LYS 120  10.821   3.633 -20.504
  885    HB3  LYS 120           HB3      LYS 120   9.501   3.289 -21.644
  886    HG2  LYS 120           HG2      LYS 120   7.887   4.226 -19.980
  887    HG3  LYS 120           HG3      LYS 120   9.233   4.556 -18.869
  888    HD2  LYS 120           HD2      LYS 120  10.251   6.081 -20.535
  889    HD3  LYS 120           HD3      LYS 120   8.935   5.722 -21.677
  890    HE2  LYS 120           HE2      LYS 120   7.289   6.617 -20.017
  891    HE3  LYS 120           HE3      LYS 120   8.624   7.044 -18.935
  892    HZ1  LYS 120           HZ1      LYS 120   8.182   8.164 -21.657
  893    HZ2  LYS 120           HZ2      LYS 120   7.912   8.945 -20.248
  894    HZ3  LYS 120           HZ3      LYS 120   9.441   8.561 -20.684
  895    H    GLU 121           H        GLU 121   8.692   1.087 -22.158
  896    HA   GLU 121           HA       GLU 121   5.928   1.458 -21.851
  897    HB2  GLU 121           HB2      GLU 121   7.212   1.219 -23.951
  898    HB3  GLU 121           HB3      GLU 121   7.523  -0.478 -23.582
  899    HG2  GLU 121           HG2      GLU 121   5.764  -0.430 -25.180
  900    HG3  GLU 121           HG3      GLU 121   5.064  -0.927 -23.644
  901    H    ARG 122           H        ARG 122   7.909  -1.534 -21.287
  902    HA   ARG 122           HA       ARG 122   5.603  -3.097 -20.528
  903    HB2  ARG 122           HB2      ARG 122   8.539  -3.591 -19.913
  904    HB3  ARG 122           HB3      ARG 122   7.199  -4.707 -19.598
  905    HG2  ARG 122           HG2      ARG 122   6.666  -4.254 -22.203
  906    HG3  ARG 122           HG3      ARG 122   8.394  -3.879 -22.239
  907    HD2  ARG 122           HD2      ARG 122   8.809  -6.111 -21.124
  908    HD3  ARG 122           HD3      ARG 122   7.084  -6.443 -21.276
  909    HE   ARG 122           HE       ARG 122   9.132  -6.308 -23.416
  910   HH11  ARG 122          HH11      ARG 122   5.679  -6.748 -22.684
  911   HH12  ARG 122          HH12      ARG 122   5.276  -7.321 -24.266
  912   HH21  ARG 122          HH21      ARG 122   8.597  -7.103 -25.506
  913   HH22  ARG 122          HH22      ARG 122   6.976  -7.545 -25.890
  914    H    VAL 123           H        VAL 123   7.978  -1.254 -18.596
  915    HA   VAL 123           HA       VAL 123   6.837  -1.951 -16.071
  916    HB   VAL 123           HB       VAL 123   8.473   0.405 -16.941
  917   HG11  VAL 123          HG11      VAL 123   7.867  -0.554 -14.110
  918   HG12  VAL 123          HG12      VAL 123   9.083   0.677 -14.556
  919   HG13  VAL 123          HG13      VAL 123   7.366   0.989 -14.833
  920   HG21  VAL 123          HG21      VAL 123   9.620  -1.844 -17.149
  921   HG22  VAL 123          HG22      VAL 123  10.377  -0.786 -15.955
  922   HG23  VAL 123          HG23      VAL 123   9.319  -2.110 -15.430
  923    H    GLU 124           H        GLU 124   6.018   0.765 -18.362
  924    HA   GLU 124           HA       GLU 124   4.115   1.975 -16.658
  925    HB2  GLU 124           HB2      GLU 124   4.438   1.860 -19.687
  926    HB3  GLU 124           HB3      GLU 124   3.018   2.601 -18.959
  927    HG2  GLU 124           HG2      GLU 124   4.480   4.136 -17.665
  928    HG3  GLU 124           HG3      GLU 124   5.882   3.500 -18.530
  929    H    ASN 125           H        ASN 125   3.767  -0.635 -19.060
  930    HA   ASN 125           HA       ASN 125   0.954  -0.903 -18.830
  931    HB2  ASN 125           HB2      ASN 125   2.284  -1.912 -20.667
  932    HB3  ASN 125           HB3      ASN 125   3.019  -3.046 -19.524
  933   HD21  ASN 125          HD22      ASN 125  -0.177  -2.062 -20.935
  934   HD22  ASN 125          HD21      ASN 125  -0.922  -3.617 -20.683
  935    H    LEU 126           H        LEU 126   3.566  -2.578 -17.036
  936    HA   LEU 126           HA       LEU 126   2.050  -4.236 -15.375
  937    HB2  LEU 126           HB2      LEU 126   4.431  -4.430 -15.564
  938    HB3  LEU 126           HB3      LEU 126   4.688  -2.748 -15.122
  939    HG   LEU 126           HG       LEU 126   3.932  -3.192 -12.807
  940   HD11  LEU 126          HD11      LEU 126   3.778  -6.079 -13.805
  941   HD12  LEU 126          HD12      LEU 126   3.697  -5.572 -12.102
  942   HD13  LEU 126          HD13      LEU 126   2.424  -5.088 -13.219
  943   HD21  LEU 126          HD21      LEU 126   5.943  -4.483 -12.166
  944   HD22  LEU 126          HD22      LEU 126   6.173  -4.927 -13.886
  945   HD23  LEU 126          HD23      LEU 126   6.273  -3.229 -13.373
  946    H    ILE 127           H        ILE 127   3.125  -0.805 -14.848
  947    HA   ILE 127           HA       ILE 127   1.965  -0.553 -12.213
  948    HB   ILE 127           HB       ILE 127   2.956   1.364 -14.357
  949   HG12  ILE 127          HG12      ILE 127   4.081   0.480 -11.661
  950   HG13  ILE 127          HG13      ILE 127   4.539  -0.284 -13.166
  951   HG21  ILE 127          HG21      ILE 127   2.120   2.014 -11.497
  952   HG22  ILE 127          HG22      ILE 127   2.927   3.133 -12.629
  953   HG23  ILE 127          HG23      ILE 127   1.307   2.564 -12.982
  954   HD11  ILE 127          HD11      ILE 127   5.078   2.567 -12.351
  955   HD12  ILE 127          HD12      ILE 127   6.241   1.273 -12.651
  956   HD13  ILE 127          HD13      ILE 127   5.305   1.949 -14.021
  957    H    ALA 128           H        ALA 128   0.829   0.352 -15.532
  958    HA   ALA 128           HA       ALA 128  -1.578   1.547 -14.770
  959    HB1  ALA 128           HB1      ALA 128  -0.986  -0.074 -17.286
  960    HB2  ALA 128           HB2      ALA 128  -2.293   1.108 -17.081
  961    HB3  ALA 128           HB3      ALA 128  -0.601   1.648 -17.041
  962    H    LYS 129           H        LYS 129  -0.874  -1.981 -15.114
  963    HA   LYS 129           HA       LYS 129  -3.681  -2.571 -14.709
  964    HB2  LYS 129           HB2      LYS 129  -3.161  -4.898 -14.847
  965    HB3  LYS 129           HB3      LYS 129  -2.481  -3.990 -16.195
  966    HG2  LYS 129           HG2      LYS 129  -0.258  -4.068 -15.087
  967    HG3  LYS 129           HG3      LYS 129  -0.958  -5.003 -13.758
  968    HD2  LYS 129           HD2      LYS 129   0.247  -6.454 -15.231
  969    HD3  LYS 129           HD3      LYS 129  -1.485  -6.819 -15.394
  970    HE2  LYS 129           HE2      LYS 129  -1.539  -5.534 -17.518
  971    HE3  LYS 129           HE3      LYS 129   0.136  -5.024 -17.265
  972    HZ1  LYS 129           HZ1      LYS 129  -0.780  -7.793 -17.822
  973    HZ2  LYS 129           HZ2      LYS 129   0.138  -6.831 -18.787
  974    HZ3  LYS 129           HZ3      LYS 129   0.761  -7.431 -17.393
  975    H    ILE 130           H        ILE 130  -0.787  -2.566 -12.539
  976    HA   ILE 130           HA       ILE 130  -2.395  -3.743 -10.488
  977    HB   ILE 130           HB       ILE 130  -0.503  -3.656  -9.102
  978   HG12  ILE 130          HG12      ILE 130   0.776  -1.957 -11.233
  979   HG13  ILE 130          HG13      ILE 130   0.459  -1.516  -9.563
  980   HG21  ILE 130          HG21      ILE 130  -0.774  -5.438 -10.841
  981   HG22  ILE 130          HG22      ILE 130   0.373  -4.546 -11.871
  982   HG23  ILE 130          HG23      ILE 130   0.886  -5.182 -10.301
  983   HD11  ILE 130          HD11      ILE 130   2.136  -3.106  -8.769
  984   HD12  ILE 130          HD12      ILE 130   2.470  -3.592 -10.473
  985   HD13  ILE 130          HD13      ILE 130   2.811  -1.952  -9.939
  986    H    SER 131           H        SER 131  -1.442  -0.414 -11.210
  987    HA   SER 131           HA       SER 131  -2.334   0.479  -8.604
  988    HB2  SER 131           HB2      SER 131  -0.650   1.758 -10.756
  989    HB3  SER 131           HB3      SER 131  -1.145   2.567  -9.249
  990    HG   SER 131           HG       SER 131   0.943   1.475  -9.111